==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXYGEN TRANSPORT 18-OCT-90 2HMQ . COMPND 2 MOLECULE: HEMERYTHRIN; . SOURCE 2 ORGANISM_SCIENTIFIC: THEMISTE DYSCRITUM; . AUTHOR M.A.HOLMES,R.E.STENKAMP . 452 4 2 0 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22128.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 344 76.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 16 3.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 46 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 266 58.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 3.5 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 0 0 0 0 0 0 4 0 4 0 0 4 0 0 0 1 3 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 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 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 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 1 A G 0 0 110 0, 0.0 430,-0.0 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 123.0 7.2 37.5 20.1 2 2 A F - 0 0 65 94,-0.1 98,-0.1 1,-0.1 97,-0.1 -0.721 360.0 -96.6 -97.7 155.5 6.6 36.7 16.5 3 3 A P - 0 0 99 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.333 32.7-128.0 -59.5 146.4 4.4 38.7 14.3 4 4 A I - 0 0 60 -2,-0.1 92,-0.1 1,-0.0 4,-0.0 -0.872 29.9-121.1 -96.1 115.1 0.8 37.5 13.9 5 5 A P - 0 0 21 0, 0.0 3,-0.1 0, 0.0 5,-0.0 -0.095 20.3-130.1 -57.3 152.3 -0.2 37.2 10.2 6 6 A D S S+ 0 0 140 1,-0.4 2,-0.2 2,-0.1 -2,-0.0 -0.896 103.2 37.8-145.5 110.4 -3.1 39.2 8.8 7 7 A P S S- 0 0 92 0, 0.0 2,-2.2 0, 0.0 -1,-0.4 0.574 109.2-122.8 -63.2 149.7 -5.0 37.5 7.2 8 8 A Y + 0 0 1 -2,-0.2 2,-0.3 21,-0.1 25,-0.3 -0.543 67.8 125.0 -70.9 77.9 -4.4 34.8 9.7 9 9 A a - 0 0 55 -2,-2.2 2,-0.1 23,-0.1 17,-0.1 -0.869 67.6 -88.6-133.6 157.9 -3.2 32.2 7.2 10 10 A W - 0 0 45 -2,-0.3 2,-0.3 16,-0.2 16,-0.0 -0.438 42.8-172.8 -61.2 147.7 -0.0 30.2 6.9 11 11 A D > - 0 0 62 -2,-0.1 3,-2.0 1,-0.0 4,-0.1 -0.892 41.8 -95.4-135.7 170.4 3.0 31.7 5.1 12 12 A I G > S+ 0 0 110 -2,-0.3 3,-2.0 1,-0.3 -2,-0.0 0.630 113.8 76.4 -66.5 -11.1 6.3 30.2 4.0 13 13 A S G 3 S+ 0 0 55 1,-0.3 -1,-0.3 3,-0.0 -3,-0.0 0.656 91.5 58.3 -64.4 -19.1 8.0 31.6 7.2 14 14 A F G < S+ 0 0 1 -3,-2.0 -1,-0.3 8,-0.0 -2,-0.2 0.401 77.0 135.2 -90.3 -0.7 6.3 28.7 9.0 15 15 A R < - 0 0 97 -3,-2.0 4,-0.1 1,-0.2 -3,-0.0 -0.316 31.5-179.2 -56.4 132.9 7.9 26.1 6.9 16 16 A T - 0 0 1 2,-0.3 -1,-0.2 -2,-0.1 3,-0.1 0.543 44.8-118.9-101.1 -16.2 9.3 23.2 8.9 17 17 A F S S+ 0 0 103 1,-0.2 2,-0.7 93,-0.1 208,-0.1 0.384 87.6 106.3 84.5 3.3 10.6 21.4 5.9 18 18 A Y > - 0 0 30 1,-0.2 4,-2.5 114,-0.1 -2,-0.3 -0.951 60.8-156.7-107.4 105.9 8.3 18.4 6.5 19 19 A T H > S+ 0 0 64 -2,-0.7 4,-2.6 1,-0.2 5,-0.2 0.887 89.3 49.7 -59.8 -41.6 5.7 18.7 3.8 20 20 A I H > S+ 0 0 84 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.892 112.7 47.8 -64.5 -41.6 3.0 16.7 5.6 21 21 A I H > S+ 0 0 1 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.926 112.1 49.1 -62.2 -50.8 3.5 18.7 8.8 22 22 A D H X S+ 0 0 9 -4,-2.5 4,-1.8 2,-0.2 -2,-0.2 0.894 110.6 51.0 -57.0 -48.1 3.4 22.0 6.8 23 23 A D H X S+ 0 0 82 -4,-2.6 4,-1.0 1,-0.2 -2,-0.2 0.914 112.1 47.5 -58.6 -43.2 0.1 20.9 5.0 24 24 A E H >X S+ 0 0 15 -4,-2.4 4,-1.2 1,-0.2 3,-0.6 0.898 107.2 56.1 -62.0 -43.1 -1.5 20.0 8.4 25 25 A H H >X S+ 0 0 1 -4,-2.4 4,-2.0 1,-0.2 3,-0.7 0.914 99.1 60.7 -55.9 -39.5 -0.4 23.4 9.9 26 26 A K H 3X S+ 0 0 85 -4,-1.8 4,-2.2 1,-0.3 -1,-0.2 0.840 101.9 53.9 -55.7 -36.2 -2.2 25.2 7.1 27 27 A T H S- 0 0 66 -2,-1.7 4,-2.3 1,-0.1 5,-0.2 -0.756 71.1 -98.8-126.6 177.3 -19.7 28.9 16.3 41 41 A A H > S+ 0 0 68 -2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.891 116.8 56.5 -65.7 -41.2 -19.8 25.1 16.7 42 42 A D H > S+ 0 0 117 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.870 112.1 42.1 -56.7 -52.5 -19.1 24.3 13.1 43 43 A H H > S+ 0 0 41 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.869 113.9 50.9 -62.9 -40.0 -15.9 26.3 13.1 44 44 A L H X S+ 0 0 33 -4,-2.3 4,-2.9 1,-0.2 -2,-0.2 0.937 109.6 51.9 -65.9 -41.0 -14.8 25.0 16.4 45 45 A N H X S+ 0 0 104 -4,-3.1 4,-2.6 2,-0.2 -1,-0.2 0.865 109.2 50.1 -56.1 -50.0 -15.4 21.4 15.3 46 46 A E H X S+ 0 0 81 -4,-1.7 4,-2.3 2,-0.2 5,-0.2 0.942 115.2 42.1 -55.7 -51.6 -13.3 21.9 12.2 47 47 A L H X S+ 0 0 0 -4,-2.2 4,-2.6 -16,-0.3 5,-0.2 0.924 115.2 50.4 -60.1 -51.6 -10.4 23.4 14.2 48 48 A R H X S+ 0 0 76 -4,-2.9 4,-2.2 2,-0.2 -2,-0.2 0.868 111.6 47.6 -60.8 -41.5 -10.7 20.8 16.9 49 49 A R H X S+ 0 0 133 -4,-2.6 4,-2.4 2,-0.2 5,-0.2 0.946 115.2 45.3 -62.0 -54.4 -10.7 17.8 14.4 50 50 A C H X S+ 0 0 4 -4,-2.3 4,-2.4 -5,-0.2 -2,-0.2 0.855 114.5 48.9 -61.4 -34.7 -7.7 19.3 12.5 51 51 A T H X S+ 0 0 0 -4,-2.6 4,-2.9 2,-0.2 5,-0.3 0.930 111.5 48.6 -70.2 -48.5 -5.8 20.0 15.8 52 52 A G H X S+ 0 0 20 -4,-2.2 4,-1.9 -5,-0.2 -2,-0.2 0.934 115.5 44.4 -57.4 -45.2 -6.4 16.6 17.2 53 53 A K H X S+ 0 0 79 -4,-2.4 4,-2.6 2,-0.2 5,-0.2 0.918 114.4 47.9 -68.8 -47.3 -5.3 14.9 14.0 54 54 A H H X S+ 0 0 0 -4,-2.4 4,-2.7 -5,-0.2 5,-0.2 0.917 111.2 50.5 -63.4 -46.5 -2.2 17.1 13.6 55 55 A F H X S+ 0 0 2 -4,-2.9 4,-2.0 2,-0.2 -1,-0.2 0.895 113.3 46.8 -57.4 -43.7 -1.0 16.7 17.2 56 56 A L H X S+ 0 0 93 -4,-1.9 4,-2.2 -5,-0.3 -2,-0.2 0.928 113.6 46.6 -65.8 -46.3 -1.3 12.9 16.9 57 57 A N H X S+ 0 0 51 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.866 113.2 48.2 -65.4 -40.5 0.4 12.6 13.6 58 58 A E H X S+ 0 0 0 -4,-2.7 4,-2.1 -5,-0.2 -1,-0.2 0.897 110.1 53.1 -73.3 -31.7 3.3 14.9 14.7 59 59 A Q H X S+ 0 0 12 -4,-2.0 4,-2.5 -5,-0.2 -2,-0.2 0.888 108.1 51.1 -63.8 -41.5 3.6 12.9 17.9 60 60 A Q H X S+ 0 0 108 -4,-2.2 4,-1.6 2,-0.2 -2,-0.2 0.913 108.6 50.9 -66.9 -42.2 3.8 9.7 15.8 61 61 A L H X S+ 0 0 51 -4,-2.3 4,-0.6 2,-0.2 -2,-0.2 0.882 110.5 49.9 -58.5 -40.4 6.6 11.3 13.7 62 62 A M H ><>S+ 0 0 0 -4,-2.1 5,-2.4 1,-0.2 3,-1.2 0.933 110.6 49.7 -61.1 -50.1 8.5 12.2 16.9 63 63 A Q H ><5S+ 0 0 106 -4,-2.5 3,-1.6 1,-0.2 -1,-0.2 0.818 96.8 69.2 -62.8 -30.8 8.2 8.7 18.2 64 64 A A H 3<5S+ 0 0 84 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.701 111.6 31.8 -65.4 -21.1 9.4 7.1 15.0 65 65 A S T <<5S- 0 0 69 -3,-1.2 -1,-0.3 -4,-0.6 -2,-0.2 0.052 112.6-115.7-116.3 13.9 12.9 8.5 15.7 66 66 A Q T < 5 - 0 0 178 -3,-1.6 -3,-0.2 1,-0.2 -2,-0.1 0.873 40.8-153.2 48.6 46.4 12.6 8.3 19.5 67 67 A Y > < - 0 0 31 -5,-2.4 3,-1.6 1,-0.2 -1,-0.2 -0.159 11.2-139.6 -50.5 128.9 12.8 12.1 19.7 68 68 A A T 3 S+ 0 0 105 1,-0.3 3,-0.3 -3,-0.2 -1,-0.2 0.745 98.2 54.1 -70.1 -23.3 14.1 13.2 23.0 69 69 A G T 3> S+ 0 0 21 1,-0.2 4,-2.0 2,-0.1 -1,-0.3 0.326 75.1 111.0 -92.5 11.0 11.7 16.2 23.4 70 70 A Y H <> S+ 0 0 57 -3,-1.6 4,-2.6 1,-0.2 5,-0.3 0.897 72.9 50.0 -50.3 -57.1 8.6 14.1 22.9 71 71 A A H > S+ 0 0 67 -3,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.919 113.0 45.3 -56.1 -48.0 7.2 14.3 26.4 72 72 A E H > S+ 0 0 98 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.849 114.9 48.6 -66.3 -35.4 7.5 18.1 26.7 73 73 A H H X S+ 0 0 4 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.854 109.1 51.7 -71.0 -44.3 6.0 18.6 23.2 74 74 A K H X S+ 0 0 68 -4,-2.6 4,-2.8 -5,-0.2 5,-0.2 0.893 108.0 53.5 -57.4 -43.1 3.1 16.2 23.8 75 75 A K H X S+ 0 0 124 -4,-1.9 4,-1.8 -5,-0.3 -2,-0.2 0.929 106.5 51.6 -62.2 -39.3 2.3 18.2 27.0 76 76 A A H X S+ 0 0 24 -4,-1.7 4,-1.6 2,-0.2 -1,-0.2 0.892 112.9 46.3 -60.4 -48.6 2.2 21.5 25.0 77 77 A H H X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 5,-0.2 0.943 110.7 51.2 -60.6 -45.3 -0.2 19.9 22.5 78 78 A D H X S+ 0 0 63 -4,-2.8 4,-1.8 1,-0.3 -1,-0.2 0.834 106.8 55.2 -63.4 -39.5 -2.5 18.4 25.2 79 79 A D H X S+ 0 0 72 -4,-1.8 4,-1.4 -5,-0.2 -1,-0.3 0.885 108.4 48.4 -63.2 -41.5 -2.7 21.8 27.0 80 80 A F H X S+ 0 0 5 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.894 108.4 53.4 -65.7 -44.9 -3.9 23.4 23.7 81 81 A I H X S+ 0 0 28 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.927 105.9 54.5 -52.3 -44.9 -6.5 20.6 23.2 82 82 A H H X S+ 0 0 105 -4,-1.8 4,-0.7 2,-0.2 -1,-0.2 0.907 106.6 51.1 -55.2 -41.9 -7.8 21.3 26.7 83 83 A K H >< S+ 0 0 67 -4,-1.4 3,-0.5 1,-0.2 -1,-0.2 0.887 111.2 47.7 -63.9 -41.7 -8.2 25.0 25.7 84 84 A L H >< S+ 0 0 4 -4,-2.2 3,-1.0 1,-0.2 -2,-0.2 0.846 111.3 50.9 -68.2 -33.8 -10.2 23.9 22.7 85 85 A D H 3< S+ 0 0 93 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.474 117.8 38.5 -80.9 -11.3 -12.3 21.5 24.8 86 86 A T T << S- 0 0 75 -4,-0.7 -1,-0.3 -3,-0.5 -2,-0.2 -0.183 91.2-178.6-121.4 34.6 -13.1 24.3 27.3 87 87 A W < + 0 0 50 -3,-1.0 -3,-0.1 1,-0.1 -4,-0.1 -0.171 19.2 174.7 -48.3 127.7 -13.4 27.0 24.6 88 88 A D - 0 0 122 -5,-0.2 -1,-0.1 2,-0.1 3,-0.1 0.163 56.4-103.2-115.9 4.4 -14.2 30.5 26.0 89 89 A G + 0 0 23 1,-0.2 2,-2.0 2,-0.0 3,-0.2 0.528 68.4 149.5 80.7 10.1 -13.9 32.3 22.6 90 90 A D > + 0 0 74 1,-0.2 4,-1.6 2,-0.1 3,-0.3 -0.510 10.3 166.4 -75.6 80.2 -10.4 33.8 23.1 91 91 A V H > S+ 0 0 24 -2,-2.0 4,-2.6 1,-0.2 -1,-0.2 0.763 71.1 61.1 -65.1 -33.0 -9.4 33.8 19.5 92 92 A T H > S+ 0 0 95 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.913 102.7 50.0 -63.7 -43.8 -6.4 36.1 20.3 93 93 A Y H > S+ 0 0 96 -3,-0.3 4,-2.9 2,-0.2 -1,-0.2 0.900 112.3 48.8 -54.7 -52.6 -5.0 33.6 22.6 94 94 A A H X S+ 0 0 0 -4,-1.6 4,-2.4 2,-0.2 5,-0.2 0.926 108.8 52.0 -56.9 -45.3 -5.3 30.9 19.9 95 95 A K H X S+ 0 0 40 -4,-2.6 4,-1.4 1,-0.2 -1,-0.2 0.895 115.7 41.3 -58.8 -41.2 -3.7 33.1 17.2 96 96 A N H X S+ 0 0 80 -4,-1.9 4,-2.3 1,-0.2 5,-0.2 0.844 110.7 56.2 -70.3 -52.4 -0.8 33.7 19.4 97 97 A W H X S+ 0 0 36 -4,-2.9 4,-2.4 2,-0.2 -2,-0.2 0.883 108.7 47.4 -50.2 -49.8 -0.5 30.2 20.7 98 98 A L H X S+ 0 0 1 -4,-2.4 4,-2.4 2,-0.2 5,-0.2 0.908 111.4 48.9 -63.8 -47.5 -0.2 28.7 17.2 99 99 A V H X S+ 0 0 1 -4,-1.4 4,-2.1 -5,-0.2 5,-0.2 0.926 116.7 42.3 -57.7 -50.6 2.4 31.1 15.9 100 100 A N H X>S+ 0 0 65 -4,-2.3 4,-2.0 2,-0.2 5,-0.7 0.839 112.1 55.1 -65.4 -40.1 4.6 30.6 18.9 101 101 A H H X>S+ 0 0 4 -4,-2.4 5,-2.4 -5,-0.2 4,-1.4 0.952 113.3 40.7 -59.2 -50.3 4.1 26.8 19.0 102 102 A I H <>S+ 0 0 0 -4,-2.4 5,-1.7 3,-0.2 -2,-0.2 0.972 119.0 43.4 -61.1 -59.4 5.2 26.4 15.4 103 103 A K H <5S+ 0 0 33 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.716 129.6 23.6 -67.3 -23.4 8.2 28.8 15.5 104 104 A T H X5S+ 0 0 2 -4,-2.0 4,-0.5 -5,-0.2 -3,-0.2 0.856 132.4 26.9-109.2 -41.4 9.6 27.8 18.9 105 105 A I T <44 S+ 0 0 0 -3,-1.5 3,-2.2 -4,-0.4 4,-0.7 0.526 76.2 123.6 -87.8 -5.9 12.5 19.1 16.2 110 110 A R T <4 S+ 0 0 97 -3,-1.2 -93,-0.1 -4,-0.4 -3,-0.0 -0.299 82.1 11.4 -58.2 126.5 13.9 20.0 12.7 111 111 A G T 34 S+ 0 0 55 20,-0.1 -1,-0.3 1,-0.1 -2,-0.1 0.272 117.3 76.8 88.9 -10.1 16.7 17.7 11.7 112 112 A K T <4 0 0 127 -3,-2.2 -2,-0.2 1,-0.0 -44,-0.1 0.448 360.0 360.0-111.5 -10.8 16.0 15.3 14.7 113 113 A I < 0 0 12 -4,-0.7 -3,-0.1 -46,-0.1 -47,-0.1 0.351 360.0 360.0-135.3 360.0 12.9 13.5 13.3 114 !* 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 0.0 115 1 B G 0 0 116 0, 0.0 99,-0.0 0, 0.0 98,-0.0 0.000 360.0 360.0 360.0 115.6 30.8 21.1 -10.8 116 2 B F - 0 0 73 94,-0.1 98,-0.1 1,-0.1 97,-0.1 -0.608 360.0 -96.5-106.5 151.8 31.3 20.0 -7.1 117 3 B P - 0 0 100 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.121 33.4-123.4 -62.3 154.6 34.0 18.6 -5.0 118 4 B I - 0 0 62 2,-0.0 92,-0.1 95,-0.0 4,-0.1 -0.897 27.8-124.3-100.1 120.6 34.3 14.9 -4.4 119 5 B P - 0 0 20 0, 0.0 94,-0.0 0, 0.0 5,-0.0 -0.298 23.9-131.2 -65.1 144.0 34.3 14.2 -0.7 120 6 B D S S+ 0 0 143 1,-0.2 2,-0.2 2,-0.1 -2,-0.0 -0.911 100.2 40.5-132.4 115.6 37.3 12.1 0.5 121 7 B P S S- 0 0 98 0, 0.0 2,-1.9 0, 0.0 -1,-0.2 0.596 109.7-121.3 -68.3 150.1 36.6 9.7 2.2 122 8 B Y + 0 0 1 -2,-0.2 25,-0.3 21,-0.1 2,-0.3 -0.547 67.5 124.7 -73.9 83.7 33.8 9.1 -0.2 123 9 B a - 0 0 59 -2,-1.9 2,-0.1 23,-0.1 17,-0.1 -0.847 66.9 -88.9-143.0 147.2 31.0 9.3 2.3 124 10 B W - 0 0 49 -2,-0.3 2,-0.3 16,-0.2 16,-0.0 -0.457 43.0-172.7 -52.5 150.8 27.9 11.4 2.5 125 11 B D > - 0 0 61 -2,-0.1 3,-2.1 1,-0.0 4,-0.1 -0.914 41.2 -96.2-141.7 171.2 28.1 14.7 4.3 126 12 B I G > S+ 0 0 111 -2,-0.3 3,-1.9 1,-0.3 -1,-0.0 0.718 112.8 76.5 -69.2 -8.0 25.5 17.4 5.3 127 13 B S G 3 S+ 0 0 57 1,-0.3 -1,-0.3 3,-0.0 -3,-0.0 0.694 93.2 56.0 -67.8 -16.4 26.2 19.4 2.2 128 14 B F G < S+ 0 0 2 -3,-2.1 -1,-0.3 8,-0.0 -2,-0.2 0.470 76.7 132.3 -95.1 -4.2 24.1 16.8 0.4 129 15 B R < - 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0 0 179 -3,-1.5 -3,-0.2 1,-0.2 -2,-0.1 0.885 40.7-150.0 48.0 44.0 45.5 28.4 29.4 409 67 D Y > < - 0 0 26 -5,-2.5 3,-1.6 -6,-0.1 4,-0.2 -0.188 9.4-141.7 -48.5 126.1 42.8 25.8 29.2 410 68 D A T 3 S+ 0 0 108 1,-0.3 3,-0.3 -3,-0.2 -1,-0.1 0.760 98.4 52.7 -66.9 -26.4 42.9 23.9 25.9 411 69 D G T 3> S+ 0 0 26 1,-0.2 4,-1.7 2,-0.1 -1,-0.3 0.251 76.3 109.6 -95.3 20.8 39.1 23.6 25.6 412 70 D Y H <> S+ 0 0 54 -3,-1.6 4,-3.3 1,-0.2 5,-0.3 0.890 73.1 51.9 -59.6 -48.8 38.5 27.4 26.1 413 71 D A H > S+ 0 0 69 -3,-0.3 4,-1.8 1,-0.3 -1,-0.2 0.923 111.8 44.1 -64.2 -48.1 37.4 28.2 22.5 414 72 D E H > S+ 0 0 153 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.864 115.4 50.3 -63.0 -33.9 34.8 25.6 22.2 415 73 D H H X S+ 0 0 3 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.904 108.5 51.6 -71.2 -42.6 33.5 26.4 25.7 416 74 D K H X S+ 0 0 71 -4,-3.3 4,-3.0 1,-0.2 5,-0.2 0.908 107.1 53.6 -60.3 -42.3 33.3 30.1 24.9 417 75 D K H X S+ 0 0 114 -4,-1.8 4,-2.2 -5,-0.3 -1,-0.2 0.938 107.7 49.9 -61.8 -37.8 31.3 29.4 21.8 418 76 D A H X S+ 0 0 27 -4,-1.6 4,-1.5 2,-0.2 -1,-0.2 0.909 113.4 46.6 -67.0 -45.9 28.7 27.3 23.9 419 77 D H H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.948 111.1 52.0 -58.6 -48.8 28.4 30.2 26.4 420 78 D D H X S+ 0 0 66 -4,-3.0 4,-2.2 1,-0.2 -2,-0.2 0.885 107.2 52.3 -60.8 -40.4 28.1 32.8 23.6 421 79 D D H X S+ 0 0 70 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.911 108.9 49.7 -67.1 -37.9 25.2 30.9 21.9 422 80 D F H X S+ 0 0 3 -4,-1.5 4,-1.8 2,-0.2 -1,-0.2 0.897 109.4 51.6 -70.7 -38.9 23.3 30.7 25.1 423 81 D I H X S+ 0 0 24 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.890 107.8 53.4 -59.2 -46.7 23.7 34.5 25.7 424 82 D H H X S+ 0 0 104 -4,-2.2 4,-1.0 1,-0.2 -2,-0.2 0.921 106.5 51.9 -57.1 -44.6 22.4 35.0 22.2 425 83 D K H >< S+ 0 0 71 -4,-2.1 3,-0.5 1,-0.2 -1,-0.2 0.881 111.1 47.4 -58.5 -43.2 19.3 32.9 23.1 426 84 D L H >< S+ 0 0 5 -4,-1.8 3,-1.0 1,-0.2 -1,-0.2 0.862 108.8 53.9 -70.1 -28.3 18.6 35.0 26.2 427 85 D D H 3< S+ 0 0 92 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.630 118.3 36.5 -77.2 -17.8 19.1 38.2 24.2 428 86 D T T << S- 0 0 79 -4,-1.0 -1,-0.3 -3,-0.5 -2,-0.1 -0.371 92.8-171.5-120.4 40.1 16.5 37.0 21.7 429 87 D W < - 0 0 43 -3,-1.0 -3,-0.1 1,-0.2 -4,-0.0 -0.159 15.8-177.5 -47.4 127.4 14.3 35.3 24.4 430 88 D D - 0 0 42 -5,-0.2 -1,-0.2 2,-0.1 3,-0.1 0.200 49.0-107.5-108.9 4.3 11.5 33.2 22.9 431 89 D G S S+ 0 0 28 1,-0.2 2,-1.9 2,-0.0 3,-0.2 0.412 70.7 143.4 84.2 -2.1 9.8 32.1 26.1 432 90 D D > + 0 0 14 1,-0.2 4,-1.4 2,-0.1 3,-0.3 -0.465 15.0 166.8 -77.2 87.1 11.1 28.5 25.9 433 91 D V H > S+ 0 0 25 -2,-1.9 4,-2.8 1,-0.2 -1,-0.2 0.769 73.7 60.6 -65.8 -38.8 11.8 27.7 29.5 434 92 D T H > S+ 0 0 54 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.910 102.7 50.7 -57.5 -46.5 12.1 24.0 28.7 435 93 D Y H > S+ 0 0 75 -3,-0.3 4,-3.1 1,-0.2 -1,-0.2 0.896 112.1 47.5 -54.4 -53.4 15.0 24.6 26.4 436 94 D A H X S+ 0 0 1 -4,-1.4 4,-2.3 2,-0.2 5,-0.3 0.897 109.9 51.6 -57.9 -43.7 16.7 26.7 29.1 437 95 D K H X S+ 0 0 41 -4,-2.8 4,-1.5 1,-0.2 -2,-0.2 0.921 116.0 42.0 -60.1 -45.7 16.2 24.1 31.8 438 96 D N H X S+ 0 0 71 -4,-2.2 4,-2.1 -5,-0.2 5,-0.3 0.910 111.0 55.4 -66.7 -45.8 17.7 21.4 29.5 439 97 D W H X S+ 0 0 35 -4,-3.1 4,-2.3 1,-0.2 -2,-0.2 0.869 108.6 47.8 -59.2 -42.6 20.5 23.5 28.2 440 98 D L H X S+ 0 0 1 -4,-2.3 4,-2.4 2,-0.2 5,-0.2 0.895 110.6 49.7 -68.9 -47.4 21.8 24.3 31.7 441 99 D V H X S+ 0 0 2 -4,-1.5 4,-2.1 -5,-0.3 -1,-0.2 0.947 116.7 41.3 -55.6 -50.3 21.8 20.8 33.0 442 100 D N H X>S+ 0 0 79 -4,-2.1 4,-1.7 1,-0.2 5,-0.6 0.892 111.4 57.1 -68.0 -39.1 23.6 19.5 30.0 443 101 D H H X>S+ 0 0 3 -4,-2.3 5,-2.4 -5,-0.3 4,-0.6 0.944 112.3 40.7 -57.6 -49.0 26.0 22.4 29.9 444 102 D I H <>S+ 0 0 0 -4,-2.4 5,-2.0 1,-0.2 -2,-0.2 0.975 118.5 44.2 -64.8 -51.3 27.2 21.8 33.4 445 103 D K H <5S+ 0 0 36 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.595 128.0 24.5 -79.0 -8.8 27.4 18.0 33.3 446 104 D T H X5S+ 0 0 45 -4,-1.7 4,-0.8 -5,-0.2 -3,-0.2 0.795 132.2 24.4-117.0 -55.6 29.1 17.7 29.9 447 105 D I T <44 S+ 0 0 0 -3,-1.8 3,-2.4 -4,-0.4 4,-0.7 0.474 77.6 126.8 -86.7 -2.3 37.6 21.3 32.7 452 110 D R T <4 S+ 0 0 101 -3,-1.4 -93,-0.1 -4,-0.3 -3,-0.0 -0.299 82.5 8.9 -57.6 125.7 37.7 19.6 36.1 453 111 D G T 34 S+ 0 0 74 1,-0.1 -1,-0.3 0, 0.0 -2,-0.1 0.386 117.1 79.4 84.4 -3.3 41.3 19.1 37.2 454 112 D K T <4 0 0 126 -3,-2.4 -2,-0.2 -45,-0.0 -44,-0.1 0.527 360.0 360.0-114.4 -7.1 42.6 21.2 34.3 455 113 D I < 0 0 37 -4,-0.7 -3,-0.1 -46,-0.1 -47,-0.1 0.330 360.0 360.0-136.8 360.0 42.0 24.7 35.7