==== 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 OXIDOREDUCTASE 08-OCT-96 1QPA . COMPND 2 MOLECULE: LIGNIN PEROXIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PHANEROCHAETE CHRYSOSPORIUM; . AUTHOR T.H.CHOINOWSKI,K.PIONTEK . 688 2 8 8 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26288.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 391 56.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 1.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 30 4.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 1 0.1 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 . 23 3.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 103 15.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 187 27.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 0.9 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 5 5 0 2 2 0 2 0 2 0 4 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 6 6 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 . 8 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 0 A V 0 0 94 0, 0.0 9,-2.5 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 150.0 22.8 15.6 69.7 2 1 A A B -A 9 0A 80 7,-0.2 7,-0.2 9,-0.1 11,-0.0 -0.709 360.0-128.5 -85.4 132.7 19.7 13.9 68.3 3 2 A a > - 0 0 3 5,-2.6 3,-2.0 -2,-0.4 11,-0.0 -0.503 22.5-113.7 -74.2 153.8 16.5 14.9 70.1 4 3 A P T 3 S+ 0 0 129 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.714 111.8 72.9 -53.0 -29.3 14.2 12.2 71.4 5 4 A D T 3 S- 0 0 74 1,-0.1 -3,-0.0 3,-0.1 12,-0.0 0.636 98.0-134.8 -66.9 -13.6 11.6 13.2 68.7 6 5 A G S < S+ 0 0 75 -3,-2.0 -1,-0.1 2,-0.3 3,-0.0 0.157 90.8 76.8 79.1 -12.6 13.8 11.7 66.0 7 6 A V S S+ 0 0 107 1,-0.0 2,-0.2 -5,-0.0 -1,-0.1 0.891 86.6 46.9 -94.5 -47.8 13.1 14.9 64.0 8 7 A H - 0 0 45 -5,-0.0 -5,-2.6 8,-0.0 2,-0.3 -0.657 57.9-153.0-104.2 164.1 15.3 17.6 65.4 9 8 A T B +A 2 0A 103 -2,-0.2 2,-0.3 -7,-0.2 -7,-0.2 -0.937 16.1 177.0-127.9 150.2 18.9 18.0 66.4 10 9 A A - 0 0 4 -9,-2.5 3,-0.1 -2,-0.3 276,-0.0 -0.993 40.0-128.5-150.1 153.7 20.3 20.5 69.0 11 10 A S S S+ 0 0 90 -2,-0.3 2,-0.4 1,-0.2 -9,-0.1 0.661 106.0 35.7 -77.9 -14.1 23.7 21.2 70.5 12 11 A N S >> S- 0 0 62 -11,-0.1 3,-2.0 1,-0.1 4,-0.6 -0.990 78.5-137.2-137.4 131.0 22.0 20.8 74.0 13 12 A A G >4 S+ 0 0 62 -2,-0.4 3,-0.6 1,-0.3 4,-0.3 0.715 102.8 66.3 -57.6 -30.0 19.2 18.3 74.7 14 13 A A G 34 S+ 0 0 38 1,-0.2 3,-0.4 2,-0.1 -1,-0.3 0.676 93.7 61.1 -66.6 -22.1 17.3 20.9 76.7 15 14 A b G X4 S+ 0 0 0 -3,-2.0 3,-2.6 1,-0.2 4,-0.5 0.729 82.0 83.2 -73.9 -27.5 16.8 22.9 73.4 16 15 A a G X< S+ 0 0 10 -3,-0.6 3,-1.2 -4,-0.6 -1,-0.2 0.837 83.2 57.9 -44.2 -48.1 14.8 20.1 71.7 17 16 A A G 3 S+ 0 0 60 -3,-0.4 4,-0.4 -4,-0.3 -1,-0.3 0.610 94.3 67.7 -68.7 -11.2 11.5 21.0 73.2 18 17 A W G <> S+ 0 0 11 -3,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.667 82.6 73.4 -84.8 -17.3 11.6 24.5 71.8 19 18 A F H <> S+ 0 0 35 -3,-1.2 4,-2.1 -4,-0.5 5,-0.2 0.958 99.2 45.3 -60.2 -52.7 11.2 23.4 68.1 20 19 A P H > S+ 0 0 52 0, 0.0 4,-1.8 0, 0.0 -1,-0.3 0.826 111.3 53.5 -57.8 -33.8 7.6 22.5 68.6 21 20 A V H > S+ 0 0 1 -4,-0.4 4,-2.6 -3,-0.2 -2,-0.2 0.938 107.6 52.8 -70.3 -42.4 7.0 25.9 70.5 22 21 A L H X S+ 0 0 21 -4,-2.4 4,-2.8 2,-0.2 5,-0.3 0.944 109.9 45.9 -55.3 -54.1 8.5 27.8 67.5 23 22 A D H X S+ 0 0 96 -4,-2.1 4,-2.1 1,-0.2 5,-0.2 0.920 113.9 50.2 -59.0 -45.1 6.3 26.2 64.9 24 23 A D H X S+ 0 0 17 -4,-1.8 4,-2.7 -5,-0.2 5,-0.3 0.908 115.3 40.1 -59.0 -52.3 3.2 26.7 67.0 25 24 A I H X>S+ 0 0 0 -4,-2.6 5,-2.7 2,-0.2 4,-2.2 0.882 111.2 56.3 -72.0 -34.4 3.8 30.4 67.8 26 25 A Q H <5S+ 0 0 36 -4,-2.8 6,-2.1 -5,-0.2 7,-1.9 0.954 119.6 34.1 -60.0 -45.1 5.0 31.3 64.2 27 26 A Q H <5S+ 0 0 129 -4,-2.1 -2,-0.2 -5,-0.3 -1,-0.2 0.930 132.2 22.9 -74.7 -47.8 1.8 30.0 62.9 28 27 A N H <5S+ 0 0 68 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.2 0.635 128.2 34.5-102.7 -19.5 -0.8 30.8 65.6 29 28 A L T <5S+ 0 0 5 -4,-2.2 9,-0.2 -5,-0.3 -3,-0.2 0.768 129.2 31.7-102.1 -43.0 0.5 33.7 67.6 30 29 A F S > S- 0 0 23 -2,-0.6 4,-2.1 -6,-0.1 3,-0.4 -0.208 80.4 -53.5-112.0-161.6 2.4 42.7 63.7 37 36 A A H > S+ 0 0 12 301,-0.3 4,-2.3 1,-0.3 5,-0.1 0.858 132.5 48.7 -53.5 -51.4 0.4 43.5 66.9 38 37 A E H > S+ 0 0 31 2,-0.2 4,-1.9 1,-0.2 -1,-0.3 0.847 110.4 50.5 -61.2 -43.0 1.3 40.2 68.6 39 38 A A H > S+ 0 0 2 -3,-0.4 4,-1.8 2,-0.2 -1,-0.2 0.894 113.0 46.8 -62.7 -43.4 5.1 40.5 67.9 40 39 A H H X S+ 0 0 21 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.903 112.0 49.9 -66.3 -43.6 5.1 44.0 69.3 41 40 A E H X S+ 0 0 22 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.838 107.0 56.1 -59.9 -40.4 3.1 42.9 72.4 42 41 A A H X S+ 0 0 1 -4,-1.9 4,-1.2 2,-0.2 72,-0.3 0.886 108.6 47.5 -63.0 -44.5 5.7 40.0 72.9 43 42 A L H X S+ 0 0 12 -4,-1.8 4,-1.4 1,-0.2 3,-0.3 0.899 110.5 50.0 -66.4 -41.2 8.6 42.5 73.0 44 43 A R H X S+ 0 0 74 -4,-1.9 4,-2.2 1,-0.2 5,-0.2 0.903 106.1 58.7 -64.0 -41.9 6.8 44.8 75.5 45 44 A M H X S+ 0 0 0 -4,-2.0 4,-1.6 2,-0.2 -1,-0.2 0.819 100.6 55.0 -55.1 -42.0 6.1 41.7 77.7 46 45 A V H X S+ 0 0 1 -4,-1.2 4,-2.6 -3,-0.3 -1,-0.2 0.904 111.7 45.2 -56.7 -48.5 9.9 41.0 78.0 47 46 A F H X S+ 0 0 53 -4,-1.4 4,-2.5 2,-0.2 -2,-0.2 0.940 114.8 44.9 -65.2 -50.6 10.4 44.6 79.3 48 47 A H H < S+ 0 0 17 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.676 119.3 43.4 -70.0 -27.1 7.5 44.6 81.8 49 48 A D H >< S+ 0 0 1 -4,-1.6 3,-0.6 -5,-0.2 20,-0.2 0.936 120.3 40.0 -79.0 -56.2 8.4 41.2 83.1 50 49 A S H 3< S+ 0 0 2 -4,-2.6 18,-0.2 1,-0.2 -2,-0.2 0.746 106.6 55.2 -71.4 -41.4 12.2 41.8 83.3 51 50 A I T 3< S+ 0 0 0 -4,-2.5 2,-2.1 -5,-0.2 -1,-0.2 0.534 78.8 98.2 -77.8 -9.3 12.7 45.3 84.6 52 51 A A < + 0 0 3 -3,-0.6 15,-1.6 -5,-0.2 2,-0.3 -0.511 60.6 104.4 -81.0 68.8 10.6 44.6 87.7 53 52 A I - 0 0 28 -2,-2.1 12,-0.2 13,-0.2 13,-0.1 -0.979 45.8-175.6-146.7 136.6 13.7 43.9 89.9 54 53 A S > - 0 0 4 11,-0.4 4,-2.2 -2,-0.3 3,-0.3 -0.723 20.0-178.3-149.6 96.3 15.3 46.3 92.6 55 54 A P H > S+ 0 0 69 0, 0.0 4,-2.6 0, 0.0 5,-0.1 0.848 92.8 60.7 -57.5 -36.8 18.5 45.7 94.5 56 55 A K H > S+ 0 0 129 1,-0.2 4,-0.5 2,-0.2 6,-0.1 0.923 107.6 41.4 -59.0 -47.7 17.7 49.0 96.2 57 56 A L H >4>S+ 0 0 40 -3,-0.3 5,-2.1 2,-0.2 3,-1.3 0.895 114.6 53.1 -67.3 -41.7 14.4 47.6 97.6 58 57 A Q H ><5S+ 0 0 97 -4,-2.2 3,-2.0 1,-0.3 -2,-0.2 0.870 102.3 57.6 -55.6 -45.2 16.0 44.2 98.5 59 58 A S H 3<5S+ 0 0 98 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.708 103.7 54.4 -61.4 -22.5 18.7 45.9 100.4 60 59 A Q T <<5S- 0 0 107 -3,-1.3 -1,-0.3 -4,-0.5 -2,-0.2 0.128 126.1 -98.4 -95.6 12.5 16.0 47.5 102.7 61 60 A G T < 5S+ 0 0 75 -3,-2.0 2,-0.3 1,-0.3 -3,-0.2 0.536 87.0 122.6 79.3 11.6 14.5 44.2 103.5 62 61 A K S > S+ 0 0 0 36,-0.3 4,-2.2 37,-0.3 3,-1.5 0.675 70.1 143.0 63.6 23.6 7.3 35.3 84.2 71 70 A S H 3> + 0 0 0 -4,-0.4 4,-2.8 1,-0.3 8,-0.2 0.798 61.7 66.8 -63.5 -29.5 5.7 36.9 87.2 72 71 A I H 34 S+ 0 0 0 2,-0.2 -1,-0.3 1,-0.2 8,-0.2 0.782 112.3 33.5 -60.7 -25.0 3.6 39.1 85.0 73 72 A I H X4 S+ 0 0 8 -3,-1.5 3,-1.8 2,-0.1 4,-0.2 0.887 120.1 46.6 -90.8 -55.0 1.8 35.9 83.8 74 73 A T H 3< S+ 0 0 50 -4,-2.2 3,-0.2 1,-0.3 -3,-0.2 0.904 129.7 27.5 -56.5 -44.0 1.8 33.8 87.0 75 74 A F T >X S+ 0 0 50 -4,-2.8 4,-2.6 -5,-0.2 3,-2.0 -0.156 80.8 133.8-108.4 39.6 0.7 36.8 89.0 76 75 A S H <> + 0 0 18 -3,-1.8 4,-2.8 1,-0.3 5,-0.2 0.812 63.6 67.2 -59.9 -34.1 -1.2 38.7 86.3 77 76 A S H 34 S+ 0 0 99 -4,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.686 116.4 27.9 -63.3 -16.6 -4.2 39.4 88.5 78 77 A I H X4 S+ 0 0 73 -3,-2.0 3,-1.1 2,-0.1 4,-0.3 0.804 123.8 46.0-101.8 -53.7 -1.9 41.7 90.5 79 78 A E H >< S+ 0 0 2 -4,-2.6 3,-1.2 1,-0.2 6,-0.2 0.801 105.9 57.3 -67.6 -31.8 0.7 42.8 88.1 80 79 A T T 3< S+ 0 0 25 -4,-2.8 9,-0.3 1,-0.2 -1,-0.2 0.509 97.3 65.8 -80.8 2.7 -1.7 43.8 85.2 81 80 A T T < S+ 0 0 104 -3,-1.1 -1,-0.2 -5,-0.2 2,-0.2 0.599 77.7 102.8 -88.1 -15.9 -3.6 46.2 87.5 82 81 A Y S X S- 0 0 31 -3,-1.2 3,-1.7 -4,-0.3 -4,-0.0 -0.540 81.2-124.8 -66.6 140.1 -0.5 48.4 87.8 83 82 A H G > S+ 0 0 108 1,-0.3 3,-1.7 -2,-0.2 -1,-0.1 0.828 108.4 55.4 -56.1 -41.3 -0.8 51.6 85.6 84 83 A P G 3 S+ 0 0 11 0, 0.0 -1,-0.3 0, 0.0 -4,-0.1 0.687 105.6 56.3 -62.9 -18.6 2.4 51.0 83.7 85 84 A N G X S+ 0 0 2 -3,-1.7 3,-2.1 -6,-0.2 4,-0.3 0.157 75.2 149.5 -99.5 13.3 1.1 47.6 82.7 86 85 A I T < + 0 0 72 -3,-1.7 98,-0.1 1,-0.3 -5,-0.1 -0.244 69.0 16.8 -56.0 139.1 -2.2 48.8 81.1 87 86 A G T >> S+ 0 0 13 -7,-0.2 4,-0.9 96,-0.1 3,-0.7 0.125 94.6 102.8 81.8 -14.8 -3.3 46.5 78.3 88 87 A L H <> + 0 0 0 -3,-2.1 4,-3.0 1,-0.3 5,-0.2 0.698 62.9 76.9 -77.1 -13.0 -1.1 43.5 79.3 89 88 A D H 3> S+ 0 0 76 -4,-0.3 4,-1.9 -9,-0.3 -1,-0.3 0.922 100.2 43.6 -58.9 -44.1 -4.0 41.7 80.8 90 89 A E H <> S+ 0 0 99 -3,-0.7 4,-1.5 2,-0.2 -1,-0.2 0.870 110.9 53.8 -70.4 -32.5 -5.1 40.9 77.2 91 90 A V H X S+ 0 0 7 -4,-0.9 4,-2.3 2,-0.2 3,-0.2 0.898 108.6 49.4 -67.0 -44.0 -1.5 40.0 76.2 92 91 A V H X S+ 0 0 4 -4,-3.0 4,-3.0 1,-0.2 -2,-0.2 0.951 109.3 53.5 -55.8 -47.8 -1.3 37.5 79.1 93 92 A A H < S+ 0 0 41 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.844 110.7 45.9 -56.6 -37.4 -4.7 36.1 78.0 94 93 A I H < S+ 0 0 22 -4,-1.5 4,-0.4 -3,-0.2 -1,-0.2 0.842 116.9 44.0 -74.2 -39.6 -3.4 35.5 74.4 95 94 A Q H >X S+ 0 0 4 -4,-2.3 3,-1.2 1,-0.1 4,-1.2 0.881 95.5 77.2 -76.7 -32.4 -0.0 34.0 75.6 96 95 A K H >X S+ 0 0 96 -4,-3.0 4,-2.4 1,-0.3 3,-0.6 0.834 88.0 55.6 -47.1 -50.3 -1.4 31.6 78.3 97 96 A P H 3> S+ 0 0 74 0, 0.0 4,-1.6 0, 0.0 -1,-0.3 0.805 106.9 51.0 -54.3 -37.4 -2.8 28.9 76.0 98 97 A F H <> S+ 0 0 11 -3,-1.2 4,-1.2 -4,-0.4 -2,-0.2 0.859 109.4 49.6 -70.8 -37.0 0.6 28.4 74.4 99 98 A I H S+ 0 0 20 -4,-1.2 4,-1.2 -3,-0.6 5,-1.1 0.922 112.7 48.6 -65.8 -44.0 2.4 28.1 77.7 100 99 A A H <5S+ 0 0 81 -4,-2.4 3,-0.2 1,-0.2 -2,-0.2 0.857 109.0 50.8 -63.8 -38.2 -0.1 25.5 78.9 101 100 A K H <5S+ 0 0 128 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.828 116.9 40.3 -72.1 -28.5 -0.0 23.4 75.8 102 101 A H H <5S- 0 0 56 -4,-1.2 -1,-0.2 -3,-0.3 -2,-0.2 0.519 97.1-131.8-101.8 -5.2 3.7 23.1 75.8 103 102 A G T <5 + 0 0 74 -4,-1.2 2,-0.3 -3,-0.2 -3,-0.2 0.907 58.8 136.8 55.3 44.0 4.5 22.7 79.5 104 103 A V < - 0 0 26 -5,-1.1 -1,-0.2 -6,-0.1 -2,-0.1 -0.777 61.1 -93.5-112.3 162.1 7.2 25.4 79.5 105 104 A T > - 0 0 35 -2,-0.3 4,-2.6 1,-0.1 5,-0.2 -0.575 27.6-122.7 -76.9 153.8 7.6 28.2 82.2 106 105 A P H > S+ 0 0 10 0, 0.0 4,-2.6 0, 0.0 -36,-0.3 0.878 111.6 54.1 -59.8 -39.2 5.9 31.6 81.7 107 106 A G H > S+ 0 0 2 -38,-0.4 4,-1.8 26,-0.4 -37,-0.3 0.891 109.9 42.2 -63.9 -46.4 9.3 33.2 82.0 108 107 A D H > S+ 0 0 10 25,-0.5 4,-1.9 2,-0.2 -1,-0.2 0.876 113.9 54.5 -69.2 -40.0 11.1 31.2 79.4 109 108 A F H X S+ 0 0 0 -4,-2.6 4,-3.1 1,-0.2 5,-0.3 0.895 106.7 51.2 -57.6 -51.0 8.1 31.5 77.1 110 109 A I H X S+ 0 0 1 -4,-2.6 4,-2.3 1,-0.2 5,-0.2 0.928 112.6 44.8 -50.0 -53.4 8.1 35.4 77.4 111 110 A A H X S+ 0 0 5 -4,-1.8 4,-1.6 2,-0.2 -1,-0.2 0.863 115.9 48.2 -60.9 -39.2 11.8 35.6 76.5 112 111 A F H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.962 113.6 44.9 -65.7 -51.9 11.4 33.1 73.6 113 112 A A H X S+ 0 0 0 -4,-3.1 4,-3.1 1,-0.2 5,-0.2 0.824 112.3 53.1 -63.1 -38.8 8.3 34.8 72.1 114 113 A G H X S+ 0 0 0 -4,-2.3 4,-2.1 -5,-0.3 -1,-0.2 0.923 112.2 44.3 -64.9 -42.2 9.9 38.2 72.4 115 114 A A H X S+ 0 0 0 -4,-1.6 4,-1.6 -5,-0.2 -2,-0.2 0.924 117.1 44.5 -66.9 -44.7 13.0 37.0 70.6 116 115 A V H X S+ 0 0 0 -4,-2.4 4,-0.9 2,-0.2 -2,-0.2 0.903 111.7 54.0 -67.4 -46.0 11.0 35.2 67.8 117 116 A G H >< S+ 0 0 0 -4,-3.1 3,-0.8 1,-0.2 -2,-0.2 0.900 110.5 47.2 -56.8 -44.5 8.6 38.2 67.5 118 117 A V H >< S+ 0 0 1 -4,-2.1 3,-2.1 1,-0.2 6,-0.3 0.870 104.5 59.7 -63.2 -43.2 11.6 40.6 66.9 119 118 A S H 3< S+ 0 0 1 -4,-1.6 175,-2.5 1,-0.3 -1,-0.2 0.716 95.2 64.3 -59.9 -25.6 13.2 38.3 64.3 120 119 A N T << S+ 0 0 9 -4,-0.9 -85,-0.3 -3,-0.8 -1,-0.3 0.433 85.9 90.5 -73.5 -9.4 10.1 38.6 62.2 121 120 A c S X S- 0 0 1 -3,-2.1 3,-2.3 -87,-0.1 79,-0.2 -0.876 87.6-115.0 -94.6 118.0 10.7 42.4 61.7 122 121 A P T 3 S+ 0 0 21 0, 0.0 79,-2.2 0, 0.0 174,-0.2 -0.248 103.9 28.5 -50.7 133.8 12.9 43.3 58.7 123 122 A G T 3 S+ 0 0 1 171,-1.6 173,-0.1 1,-0.3 -4,-0.1 0.183 87.2 141.5 101.2 -13.7 16.1 44.8 60.0 124 123 A A < - 0 0 3 -3,-2.3 -1,-0.3 -6,-0.3 2,-0.1 -0.087 50.9-119.8 -56.9 152.4 16.1 42.8 63.3 125 124 A P - 0 0 7 0, 0.0 2,-0.4 0, 0.0 169,-0.1 -0.453 43.8 -80.4 -79.0 169.6 19.5 41.5 64.6 126 125 A Q - 0 0 80 -2,-0.1 2,-0.2 167,-0.1 166,-0.1 -0.671 59.1-142.0 -68.7 118.0 20.1 37.7 65.2 127 126 A M - 0 0 1 -2,-0.4 2,-0.2 164,-0.4 163,-0.2 -0.602 8.5-139.6 -90.2 148.3 18.3 37.3 68.6 128 127 A Q - 0 0 60 -2,-0.2 2,-0.3 139,-0.2 -13,-0.0 -0.687 7.7-158.5-103.1 166.0 19.5 35.1 71.4 129 128 A F - 0 0 4 -2,-0.2 157,-2.7 161,-0.1 2,-0.4 -0.896 5.8-173.7-149.1 111.0 17.6 32.8 73.7 130 129 A F E -B 285 0B 23 -2,-0.3 2,-0.4 155,-0.2 155,-0.2 -0.867 19.6-144.4-105.8 136.5 19.0 31.6 77.1 131 130 A L E +B 284 0B 21 153,-3.1 153,-2.5 -2,-0.4 -117,-0.0 -0.915 54.7 78.9-108.2 135.1 17.0 29.1 78.9 132 131 A G + 0 0 34 -2,-0.4 -1,-0.1 151,-0.2 150,-0.1 0.506 35.1 149.1 136.4 72.5 16.3 28.5 82.6 133 132 A R - 0 0 2 145,-0.1 -25,-0.5 -64,-0.0 -26,-0.4 -0.842 30.5-153.6-130.7 92.9 13.7 30.8 84.4 134 133 A P - 0 0 88 0, 0.0 -27,-0.0 0, 0.0 -2,-0.0 -0.138 37.3 -75.4 -58.0 160.1 11.9 29.0 87.2 135 134 A E - 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0 0 28 -2,-2.0 12,-0.2 13,-0.2 13,-0.1 -0.940 46.8-174.2-158.2 132.8 -10.9 39.2 25.1 399 53 B S >> - 0 0 5 11,-0.5 4,-2.1 -2,-0.3 3,-0.6 -0.702 22.4-177.5-150.4 99.3 -10.0 39.3 21.4 400 54 B P H 3> S+ 0 0 71 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.876 93.5 60.9 -53.2 -42.2 -11.5 41.6 18.7 401 55 B K H 34 S+ 0 0 130 1,-0.2 6,-0.1 2,-0.2 4,-0.1 0.866 106.2 42.4 -57.8 -40.5 -9.2 39.7 16.3 402 56 B L H X4>S+ 0 0 41 -3,-0.6 5,-2.7 1,-0.2 3,-1.5 0.843 112.6 56.1 -72.9 -38.0 -10.9 36.3 17.0 403 57 B Q H ><5S+ 0 0 92 -4,-2.1 3,-1.4 1,-0.3 -2,-0.2 0.884 101.3 55.5 -57.2 -40.7 -14.4 38.0 16.9 404 58 B S T 3<5S+ 0 0 99 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.430 105.8 54.0 -70.7 -8.1 -13.8 39.3 13.4 405 59 B Q T < 5S- 0 0 103 -3,-1.5 -1,-0.3 2,-0.3 -2,-0.2 0.201 124.1-104.2-111.5 6.4 -13.1 35.8 12.3 406 60 B G T < 5S+ 0 0 70 -3,-1.4 2,-0.3 1,-0.3 -3,-0.2 0.561 83.5 120.4 75.9 19.4 -16.3 34.6 13.7 407 61 B K S > S+ 0 0 0 36,-0.3 4,-2.6 -3,-0.3 3,-1.3 0.648 71.5 140.7 78.0 20.0 -16.0 36.8 35.8 416 70 B S H 3> + 0 0 0 -4,-0.4 4,-2.2 1,-0.3 8,-0.3 0.726 60.9 67.8 -68.3 -28.6 -15.5 33.9 33.4 417 71 B I H 34 S+ 0 0 0 2,-0.2 -1,-0.3 1,-0.2 8,-0.3 0.776 113.9 31.8 -64.8 -27.3 -12.4 32.6 35.2 418 72 B I H X4 S+ 0 0 9 -3,-1.3 3,-1.4 2,-0.1 -2,-0.2 0.903 119.3 49.6 -94.0 -50.6 -14.8 31.8 38.1 419 73 B T H 3< S+ 0 0 52 -4,-2.6 3,-0.3 1,-0.3 -3,-0.2 0.922 128.3 26.9 -55.6 -46.2 -18.0 30.9 36.3 420 74 B F T >X S+ 0 0 51 -4,-2.2 4,-2.4 -5,-0.2 3,-1.2 -0.281 78.6 139.5-111.0 45.6 -16.1 28.6 33.9 421 75 B S H <> + 0 0 21 -3,-1.4 4,-2.0 1,-0.3 5,-0.3 0.881 65.7 65.6 -59.9 -36.1 -13.2 27.7 36.3 422 76 B S H 34 S+ 0 0 102 -3,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 0.774 115.6 28.0 -58.8 -29.5 -13.3 24.1 35.1 423 77 B I H X4 S+ 0 0 81 -3,-1.2 3,-1.6 2,-0.1 4,-0.2 0.934 123.4 44.8 -93.6 -61.5 -12.2 25.2 31.7 424 78 B E H >< S+ 0 0 2 -4,-2.4 3,-1.9 -8,-0.3 6,-0.3 0.795 108.1 56.2 -55.1 -39.7 -10.2 28.4 32.2 425 79 B T T 3< S+ 0 0 25 -4,-2.0 9,-0.3 1,-0.3 -1,-0.3 0.582 97.0 66.3 -74.1 -4.5 -8.1 27.2 35.2 426 80 B T T < S+ 0 0 102 -3,-1.6 -1,-0.3 -5,-0.3 2,-0.2 0.570 79.7 102.5 -88.0 -9.4 -6.9 24.2 33.1 427 81 B Y S X S- 0 0 32 -3,-1.9 3,-1.4 -4,-0.2 -4,-0.0 -0.576 80.7-123.8 -76.1 145.3 -5.0 26.6 30.8 428 82 B H G > S+ 0 0 104 1,-0.3 3,-1.7 -2,-0.2 -1,-0.1 0.825 109.1 54.3 -53.3 -49.2 -1.3 26.8 31.3 429 83 B P G 3 S+ 0 0 13 0, 0.0 -1,-0.3 0, 0.0 -4,-0.1 0.709 105.0 58.3 -57.7 -24.1 -1.2 30.6 31.8 430 84 B N G X S+ 0 0 2 -3,-1.4 3,-2.0 -6,-0.3 4,-0.3 0.150 74.1 150.0 -94.1 15.9 -3.8 30.2 34.6 431 85 B I T < S+ 0 0 68 -3,-1.7 98,-0.1 1,-0.3 -5,-0.1 -0.247 70.3 15.7 -49.5 130.4 -1.7 27.8 36.8 432 86 B G T 3> S+ 0 0 10 -7,-0.2 4,-1.1 96,-0.1 3,-0.5 0.197 95.1 105.7 83.7 -12.7 -2.5 28.1 40.5 433 87 B L H <> + 0 0 0 -3,-2.0 4,-2.6 1,-0.2 5,-0.2 0.756 63.4 72.4 -75.9 -14.9 -5.8 30.1 39.8 434 88 B D H > S+ 0 0 83 -4,-0.3 4,-1.8 -9,-0.3 -1,-0.2 0.916 100.7 45.3 -62.9 -39.8 -8.0 27.1 40.7 435 89 B E H > S+ 0 0 68 -3,-0.5 4,-1.9 1,-0.2 -1,-0.2 0.863 112.2 52.5 -69.4 -34.8 -7.0 27.5 44.4 436 90 B V H X S+ 0 0 9 -4,-1.1 4,-2.5 2,-0.2 5,-0.2 0.916 109.0 47.7 -66.8 -44.2 -7.6 31.2 44.1 437 91 B V H X S+ 0 0 3 -4,-2.6 4,-3.6 2,-0.2 -2,-0.2 0.953 110.6 54.2 -58.8 -43.2 -11.2 30.7 42.6 438 92 B A H < S+ 0 0 32 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.882 110.5 45.3 -58.8 -43.1 -11.9 28.2 45.4 439 93 B I H < S+ 0 0 36 -4,-1.9 4,-0.3 1,-0.1 -1,-0.2 0.876 118.5 42.9 -69.8 -41.2 -10.9 30.8 48.0 440 94 B Q H >X S+ 0 0 4 -4,-2.5 3,-1.3 1,-0.2 4,-1.1 0.835 95.5 76.8 -78.0 -35.2 -12.9 33.6 46.3 441 95 B K H >X S+ 0 0 99 -4,-3.6 4,-2.2 1,-0.2 3,-0.5 0.813 87.7 56.7 -44.0 -47.4 -16.1 31.7 45.4 442 96 B P H 3> S+ 0 0 71 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.781 103.6 52.5 -58.8 -31.9 -17.7 31.7 48.9 443 97 B F H <> S+ 0 0 23 -3,-1.3 4,-2.0 -4,-0.3 -2,-0.2 0.843 109.4 51.4 -69.9 -36.5 -17.7 35.4 49.3 444 98 B I H S+ 0 0 17 -4,-1.1 4,-1.5 -3,-0.5 5,-1.0 0.957 113.8 42.5 -62.1 -52.4 -19.4 35.7 46.0 445 99 B A H <5S+ 0 0 84 -4,-2.2 3,-0.2 1,-0.2 -2,-0.2 0.922 113.4 54.5 -58.4 -48.6 -22.1 33.2 47.0 446 100 B K H <5S+ 0 0 144 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.852 120.6 27.8 -55.8 -45.0 -22.4 34.8 50.4 447 101 B H H <5S- 0 0 54 -4,-2.0 -1,-0.2 -3,-0.1 -2,-0.2 0.453 98.6-132.3 -99.5 -7.5 -23.0 38.4 49.2 448 102 B G T <5 + 0 0 65 -4,-1.5 2,-0.2 -3,-0.2 -3,-0.2 0.891 54.0 143.1 51.4 56.6 -24.7 37.5 45.9 449 103 B V < - 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