==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 07-NOV-11 3UJH . COMPND 2 MOLECULE: GLUCOSE-6-PHOSPHATE ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: TOXOPLASMA GONDII; . AUTHOR SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS DISEASE (S . 1124 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 37314.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 827 73.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 70 6.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 38 3.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 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 . 72 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 145 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 446 39.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 25 2.2 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 2 4 4 2 2 0 4 0 6 4 0 0 2 4 0 2 2 2 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 2 4 4 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 PARALLEL BRIDGES PER LADDER . 7 2 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 2 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 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 G 0 0 64 0, 0.0 4,-0.1 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 73.5 49.3 75.2 -3.0 2 -2 A P - 0 0 145 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.778 360.0 -18.7 -76.7 143.6 46.5 76.1 -2.5 3 -1 A G S S+ 0 0 79 1,-0.2 0, 0.0 2,-0.0 0, 0.0 0.473 90.7 160.6 77.8 1.4 46.8 77.8 0.9 4 0 A S - 0 0 16 1,-0.1 -1,-0.2 3,-0.1 0, 0.0 -0.169 48.4-119.3 -57.3 152.6 50.1 76.0 1.7 5 1 A M S S+ 0 0 22 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.793 102.0 11.0 -70.5 -31.0 52.2 77.6 4.4 6 2 A A S S- 0 0 17 504,-0.1 -1,-0.3 1,-0.1 -2,-0.0 -0.700 74.2-178.9-147.1 81.6 55.3 78.4 2.3 7 3 A P + 0 0 69 0, 0.0 2,-1.3 0, 0.0 69,-0.1 0.609 54.7 90.7 -72.0 -14.3 54.4 77.8 -1.4 8 4 A T S S- 0 0 47 67,-0.3 5,-0.1 2,-0.0 502,-0.0 -0.701 74.9-143.3 -83.3 97.6 57.7 78.6 -3.2 9 5 A Q >> - 0 0 94 -2,-1.3 3,-1.1 1,-0.1 4,-1.1 -0.165 30.1 -98.1 -53.5 155.0 59.3 75.1 -3.2 10 6 A L G >4 S+ 0 0 4 499,-0.3 3,-0.6 1,-0.3 6,-0.2 0.821 124.0 50.3 -46.6 -41.3 63.1 75.2 -2.8 11 7 A E G 34 S+ 0 0 63 1,-0.2 -1,-0.3 5,-0.1 6,-0.2 0.801 108.2 53.4 -75.0 -28.4 63.8 75.0 -6.6 12 8 A Q G <4 S+ 0 0 115 -3,-1.1 -1,-0.2 4,-0.1 -2,-0.2 0.636 84.1 111.6 -73.5 -21.6 61.3 77.7 -7.4 13 9 A C S XX S- 0 0 5 -4,-1.1 3,-1.5 -3,-0.6 4,-0.8 -0.319 74.6-127.4 -61.3 142.8 63.0 80.2 -4.9 14 10 A A H 3> S+ 0 0 72 1,-0.3 4,-0.8 2,-0.2 3,-0.3 0.879 108.3 49.6 -54.8 -39.9 64.8 83.1 -6.6 15 11 A S H 3> S+ 0 0 3 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.501 91.5 78.8 -83.4 -3.8 68.0 82.4 -4.6 16 12 A H H <> S+ 0 0 28 -3,-1.5 4,-2.4 2,-0.2 -1,-0.2 0.960 95.9 44.7 -71.4 -49.9 68.1 78.7 -5.5 17 13 A G H X S+ 0 0 38 -4,-0.8 4,-1.5 -3,-0.3 -1,-0.2 0.933 115.5 49.5 -53.1 -48.4 69.5 79.3 -9.0 18 14 A K H X S+ 0 0 103 -4,-0.8 4,-2.1 1,-0.2 -2,-0.2 0.863 110.4 50.5 -58.5 -39.6 72.0 81.8 -7.5 19 15 A L H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.844 103.1 58.5 -75.5 -32.8 73.0 79.3 -4.8 20 16 A L H X S+ 0 0 90 -4,-2.4 4,-1.8 2,-0.2 -1,-0.2 0.902 108.8 47.1 -58.2 -41.0 73.6 76.5 -7.3 21 17 A Q H X S+ 0 0 120 -4,-1.5 4,-2.8 2,-0.2 -2,-0.2 0.930 108.0 54.4 -66.1 -46.4 76.2 78.9 -9.0 22 18 A E H X S+ 0 0 2 -4,-2.1 4,-4.0 2,-0.2 5,-0.3 0.918 105.7 54.4 -50.3 -42.9 77.7 79.7 -5.6 23 19 A K H X S+ 0 0 47 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.953 108.5 47.5 -60.5 -48.2 78.2 76.0 -5.1 24 20 A K H < S+ 0 0 127 -4,-1.8 4,-0.5 1,-0.2 -1,-0.2 0.893 117.9 43.3 -55.2 -42.8 80.0 75.7 -8.5 25 21 A K H >< S+ 0 0 89 -4,-2.8 3,-1.1 1,-0.2 4,-0.4 0.950 115.1 47.1 -68.2 -47.2 82.2 78.8 -7.5 26 22 A L H >< S+ 0 0 3 -4,-4.0 3,-1.2 1,-0.3 -2,-0.2 0.804 101.2 64.3 -73.3 -26.3 82.8 77.7 -3.9 27 23 A E T 3< S+ 0 0 76 -4,-2.4 -1,-0.3 -5,-0.3 -2,-0.2 0.729 99.6 55.3 -70.7 -17.8 83.8 74.1 -4.7 28 24 A K T < S+ 0 0 168 -3,-1.1 2,-0.4 -4,-0.5 -1,-0.3 0.657 97.9 76.6 -81.9 -16.4 86.8 75.4 -6.6 29 25 A L S < S- 0 0 77 -3,-1.2 2,-0.2 -4,-0.4 -1,-0.0 -0.834 75.2-138.1-103.9 130.9 88.1 77.4 -3.5 30 26 A H >> - 0 0 31 -2,-0.4 4,-2.2 1,-0.1 3,-1.3 -0.561 18.4-123.7 -83.9 146.1 89.8 75.7 -0.6 31 27 A L H 3> S+ 0 0 0 1,-0.3 4,-2.8 -2,-0.2 5,-0.2 0.842 110.8 65.5 -54.2 -33.7 89.0 76.6 3.0 32 28 A R H 34 S+ 0 0 66 417,-0.5 -1,-0.3 1,-0.2 4,-0.1 0.825 108.3 39.5 -63.2 -28.1 92.7 77.4 3.5 33 29 A D H X4 S+ 0 0 76 -3,-1.3 3,-1.8 2,-0.2 4,-0.4 0.918 113.5 52.1 -83.9 -46.8 92.4 80.3 1.0 34 30 A L H >< S+ 0 0 17 -4,-2.2 3,-1.8 1,-0.3 7,-0.2 0.898 105.0 58.0 -55.7 -40.1 88.9 81.5 2.2 35 31 A L T 3< S+ 0 0 5 -4,-2.8 1076,-0.4 1,-0.3 -1,-0.3 0.610 88.2 74.1 -70.4 -9.9 90.2 81.7 5.8 36 32 A K T < S+ 0 0 161 -3,-1.8 2,-1.1 -5,-0.2 -1,-0.3 0.683 79.8 86.0 -69.0 -19.0 93.0 84.1 4.7 37 33 A D <> + 0 0 83 -3,-1.8 4,-2.8 -4,-0.4 5,-0.1 -0.718 56.2 177.3 -90.8 96.0 90.2 86.7 4.5 38 34 A E H > S+ 0 0 89 -2,-1.1 4,-3.1 1,-0.2 -1,-0.2 0.829 79.4 57.6 -69.6 -36.4 89.9 88.1 8.0 39 35 A A H > S+ 0 0 67 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.916 111.9 44.4 -58.1 -42.5 87.2 90.6 7.1 40 36 A R H >4 S+ 0 0 9 2,-0.2 3,-0.8 1,-0.2 4,-0.3 0.957 113.6 49.3 -64.7 -52.1 85.2 87.6 5.9 41 37 A N H >< S+ 0 0 0 -4,-2.8 3,-2.3 1,-0.3 -2,-0.2 0.932 107.4 55.4 -53.1 -50.7 86.1 85.4 9.0 42 38 A D H >< S+ 0 0 60 -4,-3.1 3,-0.6 1,-0.3 -1,-0.3 0.790 105.0 52.2 -54.6 -30.7 85.1 88.2 11.3 43 39 A L T << S+ 0 0 100 -4,-1.0 -1,-0.3 -3,-0.8 -2,-0.2 0.355 99.1 66.5 -92.7 8.2 81.7 88.5 9.8 44 40 A L T < S+ 0 0 0 -3,-2.3 12,-2.5 -4,-0.3 2,-0.4 -0.142 84.4 89.0-116.4 34.3 81.0 84.8 10.3 45 41 A I E < -A 55 0A 27 -3,-0.6 2,-0.3 10,-0.2 10,-0.2 -0.981 52.3-174.0-124.5 142.5 81.0 84.9 14.1 46 42 A R E -A 54 0A 39 8,-2.3 8,-3.0 -2,-0.4 2,-0.4 -0.988 2.0-177.0-135.7 146.6 78.0 85.5 16.3 47 43 A S E -A 53 0A 69 -2,-0.3 6,-0.2 6,-0.2 2,-0.1 -0.901 14.4-146.9-151.6 108.3 78.0 85.9 20.0 48 44 A T > - 0 0 25 4,-2.7 3,-1.6 -2,-0.4 -2,-0.0 -0.334 25.4-115.8 -81.4 162.8 74.8 86.4 22.1 49 45 A D T 3 S+ 0 0 150 1,-0.3 -1,-0.1 2,-0.1 0, 0.0 0.592 113.2 59.0 -76.8 -4.8 74.5 88.4 25.2 50 46 A Q T 3 S- 0 0 90 2,-0.1 -1,-0.3 261,-0.0 -2,-0.0 0.060 127.1 -87.3-110.1 26.8 73.7 85.3 27.2 51 47 A G S < S+ 0 0 15 -3,-1.6 2,-0.8 1,-0.2 -2,-0.1 0.468 78.6 136.8 99.5 4.8 77.0 83.5 26.4 52 48 A V - 0 0 0 431,-0.1 -4,-2.7 429,-0.1 2,-0.5 -0.757 27.5-175.1 -93.0 114.1 76.5 81.6 23.1 53 49 A Y E -AB 47 482A 13 429,-2.0 429,-2.7 -2,-0.8 2,-0.4 -0.939 2.1-177.5-107.0 123.0 79.5 82.0 20.8 54 50 A L E -AB 46 481A 1 -8,-3.0 -8,-2.3 -2,-0.5 2,-0.5 -0.979 7.6-170.5-123.9 124.2 79.1 80.4 17.2 55 51 A D E +AB 45 480A 0 425,-3.1 425,-2.2 -2,-0.4 -10,-0.2 -0.969 14.9 164.4-116.7 118.3 81.9 80.4 14.6 56 52 A F E + 0 0 1 -12,-2.5 3,-0.3 -2,-0.5 -11,-0.1 -0.151 39.4 114.8-121.1 35.4 81.0 79.3 11.1 57 53 A S E + 0 0 0 1,-0.2 2,-1.3 -13,-0.2 4,-0.2 0.772 62.8 73.3 -74.4 -26.1 84.0 80.6 9.2 58 54 A R E S+ B 0 478A 0 420,-0.5 420,-1.9 -3,-0.2 2,-0.3 -0.333 79.4 104.3 -86.3 49.2 85.2 77.1 8.3 59 55 A Q S S- 0 0 2 -2,-1.3 2,-2.4 -3,-0.3 417,-0.1 -0.934 86.5-105.9-131.7 150.3 82.3 76.7 5.8 60 56 A K S S+ 0 0 2 -2,-0.3 2,-0.3 415,-0.1 -34,-0.1 -0.437 81.9 111.7 -79.0 67.6 82.4 76.9 2.0 61 57 A I - 0 0 0 -2,-2.4 2,-0.2 -4,-0.2 -2,-0.2 -0.990 51.8-156.1-139.7 146.4 80.8 80.3 1.9 62 58 A T > - 0 0 33 -2,-0.3 4,-1.9 1,-0.0 5,-0.1 -0.573 47.5 -99.6 -99.3 174.9 81.7 83.9 1.0 63 59 A L H > S+ 0 0 65 -2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.815 128.8 57.7 -64.4 -28.3 79.7 86.8 2.5 64 60 A E H > S+ 0 0 101 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.921 103.9 49.0 -64.7 -47.4 77.9 86.7 -0.8 65 61 A T H > S+ 0 0 0 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.891 109.9 52.9 -58.0 -43.6 76.9 83.1 -0.4 66 62 A L H X S+ 0 0 10 -4,-1.9 4,-2.8 2,-0.2 5,-0.2 0.915 105.6 53.6 -62.1 -41.2 75.7 83.9 3.1 67 63 A Q H X S+ 0 0 106 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.902 109.1 49.2 -61.1 -38.0 73.5 86.8 1.7 68 64 A H H X S+ 0 0 26 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.860 110.0 51.5 -67.3 -36.6 71.9 84.3 -0.7 69 65 A L H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.932 110.2 47.8 -65.7 -48.1 71.3 81.8 2.1 70 66 A V H X S+ 0 0 10 -4,-2.8 4,-1.9 2,-0.2 -2,-0.2 0.900 111.6 51.3 -56.3 -42.3 69.6 84.5 4.2 71 67 A N H X S+ 0 0 56 -4,-2.1 4,-2.9 -5,-0.2 -2,-0.2 0.914 107.6 52.8 -64.1 -41.4 67.5 85.5 1.1 72 68 A L H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.939 105.2 54.5 -58.9 -47.2 66.5 81.9 0.6 73 69 A A H <>S+ 0 0 0 -4,-2.5 5,-2.6 1,-0.2 -1,-0.2 0.899 111.4 46.4 -52.7 -41.6 65.3 81.7 4.3 74 70 A H H ><5S+ 0 0 97 -4,-1.9 3,-2.2 3,-0.2 -2,-0.2 0.950 109.5 52.4 -65.4 -48.3 63.1 84.7 3.5 75 71 A E H 3<5S+ 0 0 51 -4,-2.9 -67,-0.3 1,-0.3 -2,-0.2 0.819 109.5 50.5 -56.0 -33.6 61.8 83.2 0.2 76 72 A R T 3<5S- 0 0 8 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.414 112.7-126.0 -85.0 0.5 60.9 80.1 2.2 77 73 A Q T <>5 + 0 0 82 -3,-2.2 4,-2.0 -5,-0.2 -3,-0.2 0.868 52.5 157.5 57.4 42.8 59.1 82.3 4.7 78 74 A V H > S+ 0 0 45 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.886 109.6 50.0 -57.3 -38.7 60.4 84.0 9.9 80 76 A A H > S+ 0 0 43 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.907 108.4 53.3 -66.5 -36.6 56.7 83.7 9.2 81 77 A M H X S+ 0 0 4 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.908 104.6 55.6 -63.8 -39.3 56.9 80.0 10.1 82 78 A V H X S+ 0 0 5 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.919 107.6 48.6 -57.8 -45.9 58.5 80.9 13.4 83 79 A K H X S+ 0 0 160 -4,-1.7 4,-2.2 1,-0.2 -1,-0.2 0.876 109.8 51.9 -65.3 -35.6 55.6 83.2 14.3 84 80 A R H <>S+ 0 0 75 -4,-1.9 5,-2.2 2,-0.2 4,-0.3 0.893 110.1 49.5 -66.7 -37.7 53.0 80.5 13.4 85 81 A M H ><5S+ 0 0 0 -4,-2.3 3,-1.3 1,-0.2 14,-0.3 0.970 114.0 44.3 -62.4 -53.1 54.8 78.1 15.7 86 82 A F H 3<5S+ 0 0 18 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.799 110.4 53.3 -64.9 -31.4 54.9 80.5 18.6 87 83 A S T 3<5S- 0 0 65 -4,-2.2 27,-0.4 -5,-0.2 -1,-0.3 0.436 118.1-110.6 -86.9 0.4 51.3 81.7 18.2 88 84 A G T < 5 + 0 0 8 -3,-1.3 -3,-0.2 -4,-0.3 -2,-0.1 0.662 55.8 164.0 85.5 18.8 50.2 78.1 18.3 89 85 A E < - 0 0 82 -5,-2.2 2,-2.2 -6,-0.2 10,-0.6 -0.319 51.5-106.3 -63.7 152.5 49.0 77.5 14.8 90 86 A K + 0 0 72 1,-0.2 8,-0.2 8,-0.2 7,-0.2 -0.400 56.9 156.0 -85.5 70.1 48.5 73.8 13.8 91 87 A I + 0 0 2 -2,-2.2 2,-1.6 -7,-0.2 -1,-0.2 0.566 54.4 85.1 -75.5 -9.3 51.6 73.6 11.6 92 88 A N B >> +F 97 0B 6 5,-2.2 5,-2.1 1,-0.2 4,-0.6 -0.713 64.2 171.0 -86.8 84.6 51.9 69.9 12.2 93 89 A Q T 45 + 0 0 74 -2,-1.6 -1,-0.2 1,-0.2 -2,-0.1 0.733 62.0 59.0 -78.4 -22.6 49.4 69.6 9.3 94 90 A T T 45S+ 0 0 16 1,-0.2 -1,-0.2 -3,-0.2 -2,-0.1 0.770 122.3 27.7 -81.6 -22.6 49.4 65.8 8.7 95 91 A E T 45S- 0 0 46 -3,-0.4 -1,-0.2 2,-0.1 -2,-0.2 0.322 106.6-126.5-108.9 -0.4 48.3 65.2 12.4 96 92 A N T <5 + 0 0 108 -4,-0.6 2,-0.3 1,-0.2 -3,-0.2 0.959 62.8 132.7 50.2 62.5 46.5 68.6 12.7 97 93 A R B < -F 92 0B 68 -5,-2.1 -5,-2.2 -7,-0.2 -1,-0.2 -0.953 57.4-114.6-137.3 156.2 48.4 69.6 15.8 98 94 A A - 0 0 4 -2,-0.3 2,-0.4 -8,-0.2 -8,-0.2 -0.348 22.3-135.6 -79.4 171.3 50.1 72.7 17.1 99 95 A V + 0 0 6 -10,-0.6 3,-0.2 -14,-0.3 -11,-0.2 -0.848 42.0 150.7-134.7 91.2 53.8 72.5 17.8 100 96 A L >> + 0 0 0 177,-2.0 3,-0.9 -2,-0.4 4,-0.8 -0.161 18.4 130.3-131.0 39.7 54.4 74.2 21.1 101 97 A H G >4 S+ 0 0 1 1,-0.2 3,-1.1 176,-0.2 4,-0.5 0.884 79.5 65.4 -53.5 -32.0 57.4 72.8 22.9 102 98 A V G >4 S+ 0 0 0 1,-0.3 3,-1.2 -3,-0.2 -1,-0.2 0.857 92.1 59.3 -63.7 -31.1 58.2 76.5 23.3 103 99 A A G X4 S+ 0 0 0 -3,-0.9 3,-1.4 1,-0.2 -1,-0.3 0.814 90.6 72.3 -62.6 -28.3 55.1 77.0 25.5 104 100 A L G << S+ 0 0 4 -3,-1.1 -1,-0.2 -4,-0.8 -2,-0.2 0.757 107.9 33.3 -61.8 -25.3 56.5 74.5 28.0 105 101 A R G < S+ 0 0 5 -3,-1.2 -1,-0.3 -4,-0.5 -2,-0.2 0.236 84.4 119.1-120.0 13.7 59.1 77.0 29.0 106 102 A M < - 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0 0 4 -5,-1.8 2,-0.8 -137,-0.3 -1,-0.2 -0.274 68.2-101.7 -92.5 175.6 93.8 50.1 1.1 1071 508 B N - 0 0 4 -139,-0.5 3,-0.4 1,-0.1 -139,-0.1 -0.900 31.1-177.2 -97.8 107.3 95.6 49.6 4.4 1072 509 B S S S+ 0 0 1 -2,-0.8 -1,-0.1 1,-0.2 -143,-0.1 0.526 76.2 58.7 -71.6 -6.1 93.0 48.7 7.0 1073 510 B F S S+ 0 0 12 -423,-0.1 -1,-0.2 -145,-0.1 2,-0.2 0.477 88.3 68.6-119.8 -4.7 95.6 48.7 9.7 1074 511 B D - 0 0 4 -3,-0.4 -422,-0.0 -147,-0.2 3,-0.0 -0.478 52.0-162.9-100.8 176.8 97.3 52.2 9.9 1075 512 B Q > + 0 0 45 -2,-0.2 3,-1.3 -673,-0.0 4,-0.2 -0.257 27.9 151.1-159.9 64.0 95.8 55.5 11.1 1076 513 B W G > + 0 0 27 1,-0.3 3,-1.5 -607,-0.2 4,-0.4 0.719 63.2 82.9 -68.8 -21.8 97.9 58.4 9.9 1077 514 B G G 3 S+ 0 0 0 1,-0.2 4,-0.3 -151,-0.2 -1,-0.3 0.587 83.7 57.6 -59.3 -13.2 94.7 60.5 9.9 1078 515 B V G <> S+ 0 0 16 -3,-1.3 4,-1.1 1,-0.1 -1,-0.2 0.603 86.3 78.5 -94.9 -11.4 95.0 61.2 13.7 1079 516 B E H <> S+ 0 0 79 -3,-1.5 4,-2.3 1,-0.2 5,-0.2 0.832 83.4 59.7 -68.4 -37.1 98.4 62.8 13.7 1080 517 B L H > S+ 0 0 12 -4,-0.4 4,-2.5 1,-0.2 5,-0.2 0.924 105.1 48.5 -65.2 -42.8 97.5 66.3 12.5 1081 518 B G H > S+ 0 0 0 -4,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.855 111.7 51.0 -61.4 -36.2 95.1 67.0 15.3 1082 519 B K H X S+ 0 0 100 -4,-1.1 4,-2.3 2,-0.2 -2,-0.2 0.917 110.6 46.7 -68.4 -48.1 97.6 65.9 17.9 1083 520 B V H X S+ 0 0 100 -4,-2.3 4,-1.7 1,-0.2 -2,-0.2 0.959 116.5 44.8 -60.9 -47.9 100.5 68.1 16.5 1084 521 B L H X S+ 0 0 65 -4,-2.5 4,-1.6 1,-0.2 -1,-0.2 0.853 110.8 53.3 -67.4 -35.6 98.2 71.1 16.3 1085 522 B A H X S+ 0 0 3 -4,-2.1 4,-3.0 -5,-0.2 -1,-0.2 0.938 104.4 56.0 -64.4 -43.2 96.7 70.5 19.8 1086 523 B K H X S+ 0 0 45 -4,-2.3 4,-1.7 1,-0.2 -2,-0.2 0.915 108.0 49.6 -52.8 -44.1 100.2 70.4 21.3 1087 524 B G H X S+ 0 0 44 -4,-1.7 4,-1.7 2,-0.2 -1,-0.2 0.867 110.5 48.4 -61.2 -39.2 100.8 73.9 19.8 1088 525 B V H X S+ 0 0 7 -4,-1.6 4,-3.1 1,-0.2 5,-0.2 0.919 105.8 59.7 -71.8 -35.8 97.6 75.3 21.3 1089 526 B R H X S+ 0 0 85 -4,-3.0 4,-2.3 1,-0.2 -1,-0.2 0.923 106.3 46.8 -52.6 -49.9 98.5 73.7 24.6 1090 527 B G H X S+ 0 0 22 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.858 111.0 50.8 -62.7 -39.4 101.7 75.9 24.6 1091 528 B I H X S+ 0 0 14 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.940 111.2 49.3 -62.1 -47.7 99.8 79.1 23.6 1092 529 B L H X S+ 0 0 0 -4,-3.1 4,-2.9 1,-0.2 5,-0.2 0.884 108.6 52.6 -61.3 -41.7 97.3 78.4 26.4 1093 530 B Q H X S+ 0 0 52 -4,-2.3 4,-2.4 -5,-0.2 -1,-0.2 0.943 109.9 48.9 -58.4 -49.2 100.1 77.9 28.9 1094 531 B K H <>S+ 0 0 83 -4,-2.2 5,-2.6 10,-0.2 -2,-0.2 0.909 111.6 48.7 -61.6 -39.1 101.6 81.2 27.9 1095 532 B R H ><5S+ 0 0 38 -4,-2.5 3,-1.8 1,-0.2 -1,-0.2 0.935 111.6 48.9 -66.7 -40.1 98.3 83.0 28.3 1096 533 B R H 3<5S+ 0 0 94 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.858 107.9 56.5 -65.4 -32.6 97.7 81.4 31.7 1097 534 B E T 3<5S- 0 0 104 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.357 126.7-101.1 -79.3 5.3 101.2 82.5 32.7 1098 535 B G T < 5S+ 0 0 59 -3,-1.8 -3,-0.2 1,-0.3 -2,-0.1 0.451 70.5 147.1 91.3 -0.4 100.4 86.1 31.8 1099 536 B K < - 0 0 76 -5,-2.6 -1,-0.3 -6,-0.2 5,-0.1 -0.477 50.3-117.9 -62.0 143.9 102.0 86.5 28.3 1100 537 B A >> - 0 0 27 -2,-0.1 3,-2.2 1,-0.1 4,-0.6 -0.323 30.3 -94.8 -76.3 165.7 99.9 88.9 26.2 1101 538 B P G >4 S+ 0 0 55 0, 0.0 3,-0.9 0, 0.0 6,-0.4 0.864 127.1 51.1 -47.9 -40.3 98.2 87.8 23.0 1102 539 B H G 34 S+ 0 0 146 1,-0.2 -3,-0.0 2,-0.1 -2,-0.0 0.524 112.6 47.0 -79.6 -3.2 101.1 89.0 20.9 1103 540 B E G <4 S+ 0 0 108 -3,-2.2 -1,-0.2 1,-0.1 -4,-0.1 0.351 97.2 69.9-112.2 -2.5 103.6 87.1 23.1 1104 541 B S S << S- 0 0 4 -3,-0.9 -10,-0.2 -4,-0.6 -9,-0.1 0.630 106.6-105.2 -97.7 -14.0 101.9 83.7 23.3 1105 542 B G S > S+ 0 0 35 -4,-0.4 3,-1.7 -11,-0.1 4,-0.1 0.119 89.3 117.4 99.5 -17.6 102.3 82.4 19.7 1106 543 B Q G > + 0 0 8 -5,-0.3 3,-2.1 1,-0.3 -4,-0.1 0.735 56.5 77.8 -42.9 -38.0 98.6 83.1 18.9 1107 544 B S G 3 S+ 0 0 63 -6,-0.4 -1,-0.3 1,-0.3 7,-0.1 0.778 87.9 58.3 -54.1 -27.3 99.5 85.5 16.2 1108 545 B E G < S+ 0 0 155 -3,-1.7 -1,-0.3 2,-0.0 2,-0.2 0.487 89.6 88.2 -81.6 -5.4 100.3 82.6 13.8 1109 546 B L S < S- 0 0 40 -3,-2.1 5,-0.0 -4,-0.1 -4,-0.0 -0.559 92.0 -86.1 -92.1 163.0 96.8 81.0 14.0 1110 547 B C >> - 0 0 20 -2,-0.2 4,-2.2 1,-0.1 3,-0.5 -0.245 42.7-107.9 -65.3 157.2 93.9 82.0 11.7 1111 548 B S H 3> S+ 0 0 1 -1076,-0.4 4,-2.6 1,-0.3 5,-0.2 0.900 117.1 59.4 -55.3 -43.0 91.9 84.9 12.8 1112 549 B S H 3> S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.899 108.8 42.9 -52.7 -47.0 89.0 82.7 13.7 1113 550 B T H <> S+ 0 0 1 -3,-0.5 4,-2.8 2,-0.2 -1,-0.2 0.877 110.0 56.3 -71.3 -37.8 91.0 80.7 16.2 1114 551 B R H X S+ 0 0 64 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.933 111.1 44.9 -57.9 -47.0 92.7 83.8 17.6 1115 552 B K H X S+ 0 0 88 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.928 115.0 45.3 -61.4 -50.0 89.3 85.3 18.4 1116 553 B I H X S+ 0 0 1 -4,-2.2 4,-2.7 -5,-0.2 -2,-0.2 0.885 112.1 52.9 -70.3 -35.3 87.7 82.2 19.9 1117 554 B L H X S+ 0 0 2 -4,-2.8 4,-2.4 2,-0.2 -1,-0.2 0.917 110.1 47.9 -61.3 -44.1 90.9 81.5 22.0 1118 555 B E H X S+ 0 0 38 -4,-2.2 4,-2.7 -5,-0.2 5,-0.2 0.917 110.7 50.9 -66.5 -42.3 90.7 85.1 23.4 1119 556 B H H X S+ 0 0 19 -4,-2.5 4,-3.0 2,-0.2 -2,-0.2 0.960 110.8 50.7 -50.1 -52.2 87.0 84.6 24.2 1120 557 B Y H X S+ 0 0 1 -4,-2.7 4,-0.7 2,-0.2 -2,-0.2 0.883 111.9 45.1 -57.1 -46.8 87.9 81.3 25.9 1121 558 B V H >X S+ 0 0 15 -4,-2.4 4,-1.9 2,-0.2 3,-1.2 0.958 114.2 49.4 -62.1 -52.6 90.6 82.9 28.1 1122 559 B Q H >< S+ 0 0 127 -4,-2.7 3,-0.6 1,-0.3 -2,-0.2 0.945 113.8 46.5 -48.0 -52.7 88.4 86.0 29.0 1123 560 B Q H 3< S+ 0 0 74 -4,-3.0 -1,-0.3 1,-0.2 -2,-0.2 0.597 120.3 37.9 -73.8 -12.1 85.6 83.7 29.9 1124 561 B S H << 0 0 25 -3,-1.2 -1,-0.2 -4,-0.7 -2,-0.2 0.426 360.0 360.0-119.5 -6.0 87.8 81.4 32.0 1125 562 B K << 0 0 114 -4,-1.9 -2,-0.1 -3,-0.6 -3,-0.1 0.989 360.0 360.0 -55.7 360.0 90.1 84.0 33.6