==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 21-MAY-01 1H5F . COMPND 2 MOLECULE: PEROXIDASE C1A; . SOURCE 2 ORGANISM_SCIENTIFIC: ARMORACIA RUSTICANA; . AUTHOR G.I.BERGLUND,G.H.CARLSSON,J.HAJDU,A.T.SMITH,H.SZOKE, . 306 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13099.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 198 64.7 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 . 12 3.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 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 . 2 0.7 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 . 10 3.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 46 15.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 114 37.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 0 1 0 3 1 1 2 0 0 1 1 3 0 0 0 0 0 0 0 0 0 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 . 4 0 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 ANTIPARALLEL 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 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 Q 0 0 220 0, 0.0 2,-0.2 0, 0.0 120,-0.1 0.000 360.0 360.0 360.0 131.0 26.9 15.7 16.8 2 2 A L - 0 0 28 118,-0.1 120,-0.2 284,-0.1 289,-0.0 -0.491 360.0-169.9 -74.2 145.3 23.4 15.7 18.2 3 3 A T B > -A 121 0A 52 118,-2.6 3,-1.6 -2,-0.2 118,-1.3 -1.000 31.4-133.5-141.1 140.6 23.2 16.2 22.0 4 4 A P T 3 S+ 0 0 46 0, 0.0 3,-0.4 0, 0.0 115,-0.1 0.736 106.3 57.2 -62.1 -22.7 20.3 15.9 24.6 5 5 A T T > + 0 0 76 1,-0.2 3,-2.0 116,-0.1 4,-0.3 0.294 68.2 118.0 -93.4 10.3 21.4 19.2 26.1 6 6 A F T < S+ 0 0 100 -3,-1.6 4,-0.3 1,-0.3 3,-0.2 0.788 85.5 29.9 -47.3 -38.2 21.1 21.3 23.0 7 7 A Y T 3> S+ 0 0 2 -3,-0.4 4,-2.2 1,-0.1 -1,-0.3 0.198 82.8 111.7-110.4 17.4 18.4 23.6 24.4 8 8 A D T <4 S+ 0 0 60 -3,-2.0 -1,-0.1 1,-0.2 -2,-0.1 0.749 95.0 24.6 -62.6 -22.7 19.2 23.6 28.1 9 9 A N T 4 S+ 0 0 163 -4,-0.3 -1,-0.2 -3,-0.2 -2,-0.1 0.774 127.2 44.3-106.9 -41.6 20.3 27.2 27.9 10 10 A S T 4 S+ 0 0 59 -4,-0.3 -2,-0.2 1,-0.2 -3,-0.1 0.746 137.8 0.3 -78.0 -26.2 18.3 28.6 24.9 11 11 A a >< + 0 0 0 -4,-2.2 3,-1.9 83,-0.1 4,-0.3 -0.295 65.3 169.2-163.1 67.2 15.0 27.0 25.8 12 12 A P T 3 S+ 0 0 77 0, 0.0 3,-0.4 0, 0.0 4,-0.2 0.777 80.7 51.6 -53.9 -31.7 15.1 24.9 29.0 13 13 A N T 3> S+ 0 0 93 1,-0.2 4,-2.1 2,-0.1 5,-0.2 0.245 74.9 106.3 -94.3 14.6 11.3 24.5 29.1 14 14 A V H <> S+ 0 0 8 -3,-1.9 4,-2.1 -7,-0.2 -1,-0.2 0.929 80.6 48.8 -58.3 -47.1 10.8 23.2 25.5 15 15 A S H > S+ 0 0 37 -3,-0.4 4,-2.4 -4,-0.3 -1,-0.2 0.884 111.7 49.7 -61.1 -39.8 10.1 19.6 26.6 16 16 A N H > S+ 0 0 82 -4,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.869 109.1 51.3 -67.6 -37.5 7.6 20.8 29.2 17 17 A I H X S+ 0 0 29 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.890 111.7 47.9 -66.4 -38.8 5.7 23.0 26.7 18 18 A V H X S+ 0 0 0 -4,-2.1 4,-2.1 -5,-0.2 -2,-0.2 0.927 111.8 50.0 -66.3 -45.5 5.6 20.0 24.3 19 19 A R H X S+ 0 0 108 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.939 109.3 50.7 -58.6 -50.6 4.3 17.7 27.1 20 20 A D H X S+ 0 0 85 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.888 108.5 52.7 -56.3 -41.4 1.6 20.1 28.2 21 21 A T H X S+ 0 0 12 -4,-1.8 4,-2.2 1,-0.2 -1,-0.2 0.935 111.9 45.1 -60.8 -46.8 0.3 20.5 24.6 22 22 A I H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.884 109.5 55.4 -65.4 -39.4 0.0 16.7 24.2 23 23 A V H X S+ 0 0 49 -4,-2.6 4,-0.7 1,-0.2 -1,-0.2 0.930 110.5 45.9 -59.5 -45.1 -1.6 16.3 27.6 24 24 A N H >X S+ 0 0 92 -4,-2.2 3,-0.7 1,-0.2 4,-0.6 0.914 112.9 49.0 -65.3 -43.0 -4.3 18.8 26.6 25 25 A E H >X S+ 0 0 30 -4,-2.2 4,-2.4 1,-0.2 3,-1.0 0.868 100.7 65.1 -64.2 -38.6 -4.9 17.3 23.2 26 26 A L H 3< S+ 0 0 47 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.759 92.0 64.0 -57.2 -27.4 -5.2 13.7 24.6 27 27 A R H << S+ 0 0 175 -3,-0.7 -1,-0.3 -4,-0.7 -2,-0.2 0.892 116.3 27.6 -65.5 -38.2 -8.4 14.7 26.5 28 28 A S H << S+ 0 0 90 -3,-1.0 -2,-0.2 -4,-0.6 -1,-0.2 0.679 136.2 30.3 -95.5 -21.3 -10.2 15.4 23.2 29 29 A D >< - 0 0 24 -4,-2.4 3,-1.5 -5,-0.1 -1,-0.3 -0.764 58.1-177.5-142.7 93.6 -8.2 12.9 21.1 30 30 A P T 3 S+ 0 0 87 0, 0.0 4,-0.3 0, 0.0 3,-0.2 0.520 84.3 62.5 -66.9 -5.3 -6.8 9.8 22.8 31 31 A R T 3> S+ 0 0 60 1,-0.1 4,-2.3 2,-0.1 3,-0.3 0.580 75.5 91.0 -96.3 -12.4 -5.1 8.8 19.6 32 32 A I H <> S+ 0 0 1 -3,-1.5 4,-2.6 1,-0.2 5,-0.2 0.780 79.4 58.0 -56.8 -33.9 -2.8 11.8 19.2 33 33 A A H > S+ 0 0 5 -4,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.959 111.1 42.9 -62.5 -49.0 0.1 10.3 21.1 34 34 A A H > S+ 0 0 14 -3,-0.3 4,-2.2 -4,-0.3 -2,-0.2 0.920 113.3 53.1 -61.2 -45.3 0.3 7.4 18.6 35 35 A S H X S+ 0 0 10 -4,-2.3 4,-1.7 1,-0.2 40,-0.3 0.904 109.0 49.0 -58.1 -43.6 -0.3 9.8 15.7 36 36 A I H X S+ 0 0 0 -4,-2.6 4,-1.7 2,-0.2 -1,-0.2 0.885 108.4 52.2 -65.9 -40.2 2.6 12.0 16.7 37 37 A L H X S+ 0 0 13 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.931 109.7 50.7 -61.6 -42.8 5.1 9.1 17.1 38 38 A R H X S+ 0 0 82 -4,-2.2 4,-2.7 1,-0.2 -1,-0.2 0.860 104.6 57.1 -63.6 -35.4 4.2 8.0 13.6 39 39 A L H X S+ 0 0 1 -4,-1.7 4,-1.1 1,-0.2 -1,-0.2 0.908 106.8 49.1 -61.6 -41.4 4.8 11.5 12.2 40 40 A H H X S+ 0 0 1 -4,-1.7 4,-2.7 2,-0.2 -1,-0.2 0.894 110.5 51.0 -64.0 -41.7 8.3 11.4 13.6 41 41 A F H X S+ 0 0 43 -4,-1.8 4,-2.0 1,-0.2 -2,-0.2 0.952 111.5 46.5 -61.1 -51.3 8.9 7.9 12.0 42 42 A H H < S+ 0 0 6 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.711 112.0 53.1 -67.1 -17.6 7.7 9.1 8.6 43 43 A D H >< S+ 0 0 0 -4,-1.1 3,-1.7 -5,-0.2 7,-0.3 0.955 110.1 45.8 -78.1 -52.0 9.8 12.2 9.0 44 44 A b H 3X S+ 0 0 0 -4,-2.7 4,-0.7 1,-0.3 -2,-0.2 0.768 105.3 59.9 -60.7 -31.6 13.0 10.3 9.7 45 45 A F T 3< S+ 0 0 1 -4,-2.0 2,-0.4 1,-0.2 -1,-0.3 0.448 100.1 63.0 -79.3 0.8 12.5 7.7 6.9 46 46 A V T <4 S- 0 0 0 -3,-1.7 4,-0.3 2,-0.3 6,-0.2 -0.872 134.3 -34.0-131.8 101.3 12.5 10.4 4.3 47 47 A N T 4 S- 0 0 66 -2,-0.4 -2,-0.1 86,-0.1 -3,-0.1 0.628 113.6 -74.9 63.4 16.8 15.8 12.4 3.9 48 48 A G S < S- 0 0 1 -4,-0.7 2,-1.7 -5,-0.2 4,-0.3 -0.244 78.2 -40.4 90.8 176.6 16.2 12.0 7.7 49 49 A b S S+ 0 0 0 238,-1.3 241,-0.3 235,-0.2 -5,-0.2 -0.619 85.6 128.8 -83.2 87.1 14.4 13.7 10.6 50 50 A D S S- 0 0 0 -2,-1.7 76,-2.8 -4,-0.3 48,-0.2 0.074 80.0-108.3-127.6 18.1 14.3 17.2 9.0 51 51 A A S > S+ 0 0 0 74,-0.2 3,-1.1 47,-0.2 4,-0.5 0.694 75.5 138.9 59.2 20.3 10.7 18.1 9.4 52 52 A S G > + 0 0 0 -4,-0.3 3,-1.1 1,-0.2 12,-0.4 0.853 64.2 61.0 -63.0 -31.4 10.3 17.7 5.7 53 53 A I G 3 S+ 0 0 0 1,-0.2 -1,-0.2 -7,-0.1 12,-0.1 0.729 95.1 62.3 -67.4 -22.6 7.0 15.9 6.2 54 54 A L G < S+ 0 0 5 -3,-1.1 -1,-0.2 10,-0.1 -2,-0.2 0.665 80.7 104.6 -79.5 -15.4 5.5 19.0 7.9 55 55 A L < - 0 0 1 -3,-1.1 10,-0.4 -4,-0.5 9,-0.4 -0.418 61.7-143.0 -70.3 138.4 5.8 21.1 4.7 56 56 A D - 0 0 48 246,-2.5 73,-0.1 1,-0.2 -1,-0.1 -0.415 39.2 -63.7 -91.9 173.4 2.7 21.9 2.7 57 57 A N + 0 0 84 -2,-0.1 2,-0.3 6,-0.1 5,-0.2 -0.151 49.1 178.1 -57.8 147.7 2.5 22.2 -1.1 58 58 A T - 0 0 52 3,-1.8 3,-0.1 -3,-0.1 5,-0.1 -0.905 44.2-106.9-140.8 164.8 4.3 24.8 -3.1 59 59 A T S S+ 0 0 148 -2,-0.3 3,-0.1 1,-0.2 -2,-0.0 0.654 119.2 48.1 -72.3 -11.0 4.4 25.3 -6.9 60 60 A S S S+ 0 0 100 1,-0.3 2,-0.3 2,-0.0 -1,-0.2 0.740 120.6 19.6 -98.4 -30.1 8.0 24.0 -7.0 61 61 A F S S- 0 0 34 -3,-0.1 -3,-1.8 69,-0.0 -1,-0.3 -0.999 72.7-122.4-144.2 146.0 7.7 20.8 -4.8 62 62 A R - 0 0 111 -2,-0.3 69,-0.5 -5,-0.2 2,-0.2 -0.507 34.0-106.8 -83.8 154.2 4.8 18.5 -3.7 63 63 A T > - 0 0 6 -2,-0.2 3,-1.4 1,-0.1 -7,-0.1 -0.525 13.4-133.5 -80.0 146.0 4.1 17.8 -0.1 64 64 A E G > S+ 0 0 0 -12,-0.4 3,-2.0 -9,-0.4 6,-0.2 0.626 97.9 84.5 -71.2 -11.2 4.9 14.4 1.4 65 65 A K G 3 S+ 0 0 30 -10,-0.4 -1,-0.3 1,-0.3 7,-0.2 0.685 85.7 55.2 -65.5 -15.8 1.4 14.5 2.9 66 66 A D G < S+ 0 0 96 -3,-1.4 -1,-0.3 5,-0.1 -2,-0.1 0.198 81.6 120.2-101.1 14.8 0.2 13.1 -0.5 67 67 A A S X> S- 0 0 0 -3,-2.0 4,-3.2 1,-0.1 3,-1.1 -0.402 79.3-111.3 -73.9 157.0 2.5 10.1 -0.3 68 68 A F T 34 S+ 0 0 175 1,-0.3 -1,-0.1 2,-0.2 67,-0.1 0.825 120.0 48.0 -60.1 -30.4 0.9 6.7 -0.4 69 69 A G T 34 S+ 0 0 19 1,-0.1 -1,-0.3 -5,-0.1 -4,-0.1 0.621 121.7 34.3 -85.5 -12.4 1.9 6.1 3.2 70 70 A N T X> S+ 0 0 3 -3,-1.1 4,-2.3 -6,-0.2 3,-1.7 0.769 87.0 102.4-109.0 -38.5 0.7 9.6 4.4 71 71 A A T 3< S- 0 0 42 -4,-3.2 -5,-0.1 1,-0.3 -6,-0.0 -0.244 103.3 -6.0 -56.1 131.0 -2.4 10.5 2.5 72 72 A N T 34 S+ 0 0 123 -7,-0.2 -1,-0.3 1,-0.1 3,-0.1 0.846 136.6 61.0 51.8 37.8 -5.6 10.0 4.4 73 73 A S T <4 S+ 0 0 19 -3,-1.7 -2,-0.2 1,-0.4 -1,-0.1 0.340 75.0 79.2-150.4 -63.3 -3.5 8.4 7.2 74 74 A A < + 0 0 19 -4,-2.3 -1,-0.4 -9,-0.2 2,-0.3 -0.343 61.8 166.3 -59.8 139.4 -0.9 10.7 8.7 75 75 A R + 0 0 77 -40,-0.3 -36,-0.2 -3,-0.1 -37,-0.0 -0.938 33.8 71.7-151.1 170.9 -2.5 13.1 11.2 76 76 A G >> + 0 0 10 -2,-0.3 4,-1.6 -37,-0.0 3,-0.7 0.426 51.3 134.1 99.5 1.7 -1.9 15.5 14.1 77 77 A F H 3> S+ 0 0 25 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.848 71.3 52.7 -53.4 -40.4 -0.4 18.4 12.0 78 78 A P H 3> S+ 0 0 74 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.867 105.8 55.5 -65.5 -33.5 -2.4 21.1 13.7 79 79 A V H <> S+ 0 0 7 -3,-0.7 4,-2.1 1,-0.2 -2,-0.2 0.885 106.3 50.6 -64.8 -38.7 -1.3 19.9 17.1 80 80 A I H X S+ 0 0 1 -4,-1.6 4,-2.5 1,-0.2 -1,-0.2 0.905 107.9 53.0 -65.8 -39.8 2.3 20.3 16.0 81 81 A D H X S+ 0 0 42 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.884 108.2 53.0 -60.6 -38.7 1.5 23.8 14.8 82 82 A R H X S+ 0 0 116 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.929 111.5 41.7 -64.7 -48.8 0.1 24.5 18.3 83 83 A M H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 5,-0.2 0.881 113.1 55.3 -68.7 -34.5 3.2 23.4 20.2 84 84 A K H X S+ 0 0 6 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.925 109.2 46.9 -61.5 -44.6 5.4 25.1 17.7 85 85 A A H X S+ 0 0 59 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.909 112.4 50.1 -62.6 -43.1 3.6 28.4 18.3 86 86 A A H X S+ 0 0 40 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.877 113.6 45.5 -63.3 -38.9 3.8 27.9 22.1 87 87 A V H X S+ 0 0 0 -4,-2.5 4,-3.4 2,-0.2 -2,-0.2 0.869 109.6 54.3 -73.2 -37.5 7.5 27.2 21.8 88 88 A E H < S+ 0 0 31 -4,-2.7 -2,-0.2 2,-0.2 -1,-0.2 0.877 108.3 50.9 -62.9 -36.8 8.1 30.2 19.5 89 89 A S H < S+ 0 0 102 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.922 117.1 38.8 -65.9 -44.5 6.4 32.4 22.1 90 90 A A H < S+ 0 0 59 -4,-1.7 -2,-0.2 1,-0.3 -1,-0.2 0.860 137.3 15.4 -73.9 -37.4 8.6 31.1 24.9 91 91 A a S >X S- 0 0 16 -4,-3.4 3,-1.2 -5,-0.1 4,-0.6 -0.680 84.0-144.7-142.2 83.7 11.8 30.9 22.8 92 92 A P T 34 S- 0 0 65 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 -0.184 76.8 -11.0 -53.0 131.5 11.6 32.9 19.5 93 93 A R T 34 S+ 0 0 168 1,-0.1 3,-0.1 2,-0.1 -5,-0.1 0.789 109.4 103.3 47.4 41.4 13.4 31.3 16.5 94 94 A T T <4 + 0 0 35 -3,-1.2 2,-0.6 1,-0.2 -1,-0.1 0.800 59.5 58.9-114.8 -51.4 15.2 28.7 18.7 95 95 A V S < S- 0 0 1 -4,-0.6 -1,-0.2 -11,-0.1 -2,-0.1 -0.770 74.0-136.3 -92.9 122.5 13.7 25.3 18.4 96 96 A S > - 0 0 0 -2,-0.6 4,-2.5 27,-0.3 5,-0.1 -0.303 17.9-121.9 -70.6 156.2 13.6 23.6 14.9 97 97 A c H > S+ 0 0 0 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.863 113.4 57.8 -66.3 -34.8 10.5 21.8 13.8 98 98 A A H > S+ 0 0 0 2,-0.2 4,-1.3 -48,-0.2 -1,-0.2 0.919 111.3 40.5 -61.4 -44.5 12.6 18.7 13.3 99 99 A D H > S+ 0 0 0 24,-0.4 4,-2.6 2,-0.2 5,-0.2 0.894 112.6 56.4 -70.3 -40.1 13.7 18.7 17.0 100 100 A L H X S+ 0 0 1 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.925 108.4 46.9 -57.1 -46.0 10.2 19.7 18.1 101 101 A L H X S+ 0 0 0 -4,-2.7 4,-1.9 2,-0.2 -1,-0.2 0.834 110.4 53.3 -66.6 -32.7 8.7 16.7 16.4 102 102 A T H X S+ 0 0 4 -4,-1.3 4,-2.1 2,-0.2 -2,-0.2 0.931 111.6 44.4 -67.9 -46.0 11.4 14.4 17.9 103 103 A I H X S+ 0 0 4 -4,-2.6 4,-3.2 1,-0.2 5,-0.3 0.918 111.6 54.6 -63.4 -42.4 10.6 15.6 21.4 104 104 A A H X S+ 0 0 0 -4,-2.6 4,-2.1 -5,-0.2 -1,-0.2 0.883 107.8 49.8 -58.4 -39.8 6.9 15.3 20.7 105 105 A A H X S+ 0 0 0 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.929 113.2 45.4 -65.6 -44.8 7.4 11.7 19.7 106 106 A Q H X S+ 0 0 6 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.932 114.5 47.3 -65.2 -45.9 9.4 10.9 22.9 107 107 A Q H X S+ 0 0 18 -4,-3.2 4,-2.9 1,-0.2 -1,-0.2 0.863 109.5 55.3 -63.8 -35.4 6.9 12.7 25.1 108 108 A S H X S+ 0 0 0 -4,-2.1 4,-1.5 -5,-0.3 -1,-0.2 0.909 108.4 47.6 -63.0 -43.1 4.0 11.0 23.4 109 109 A V H <>S+ 0 0 0 -4,-1.9 5,-2.8 2,-0.2 120,-0.2 0.935 114.2 46.7 -63.6 -46.5 5.6 7.6 24.1 110 110 A T H ><5S+ 0 0 37 -4,-2.3 3,-2.0 1,-0.2 -2,-0.2 0.921 109.8 52.6 -62.6 -45.2 6.1 8.5 27.8 111 111 A L H 3<5S+ 0 0 50 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.816 105.1 56.8 -61.2 -29.8 2.6 9.9 28.2 112 112 A A T 3<5S- 0 0 16 -4,-1.5 117,-2.8 -5,-0.2 -1,-0.3 0.394 132.8 -91.2 -82.4 3.1 1.2 6.6 26.9 113 113 A G T < 5S+ 0 0 47 -3,-2.0 -3,-0.2 1,-0.2 -2,-0.2 0.479 87.4 126.5 101.9 4.4 3.1 4.8 29.6 114 114 A G < - 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0 0 0 -49,-0.4 -1,-0.2 4,-0.2 6,-0.1 -0.919 64.8-170.5-115.1 107.0 -2.9 -3.9 19.9 223 223 A L S S+ 0 0 64 -2,-0.6 -1,-0.1 18,-0.3 -2,-0.1 0.705 86.1 53.7 -69.3 -18.2 -6.0 -5.9 21.0 224 224 A R S S+ 0 0 96 1,-0.2 -1,-0.2 2,-0.1 -53,-0.0 0.967 130.7 2.6 -80.1 -59.1 -4.6 -6.2 24.5 225 225 A T S > S- 0 0 27 -54,-0.2 3,-1.0 3,-0.1 -1,-0.2 -0.699 70.0-175.1-132.7 81.1 -3.9 -2.5 25.4 226 226 A P T 3 S+ 0 0 38 0, 0.0 -53,-1.2 0, 0.0 -5,-0.2 0.685 83.6 23.9 -45.6 -33.7 -5.1 -0.3 22.5 227 227 A T T 3 S+ 0 0 85 -55,-0.2 2,-0.4 -7,-0.1 -55,-0.1 0.390 101.3 94.1-120.9 3.2 -3.8 3.0 23.9 228 228 A I S < S- 0 0 81 -3,-1.0 2,-1.0 -57,-0.3 -115,-0.2 -0.827 70.4-130.9-101.9 134.5 -1.0 2.0 26.3 229 229 A F + 0 0 1 -117,-2.8 2,-0.2 -2,-0.4 -57,-0.1 -0.715 59.4 118.3 -84.7 103.3 2.6 1.9 25.3 230 230 A D S > S- 0 0 22 -2,-1.0 3,-0.6 -62,-0.2 -116,-0.1 -0.843 77.6 -87.9-150.0-175.5 3.8 -1.5 26.5 231 231 A N T >> S+ 0 0 10 -2,-0.2 3,-1.3 1,-0.2 4,-1.0 0.324 90.1 105.3 -87.2 10.3 5.3 -4.8 25.3 232 232 A K H 3> + 0 0 81 1,-0.3 4,-2.2 2,-0.2 3,-0.2 0.807 66.3 72.9 -59.7 -29.0 1.8 -6.4 24.7 233 233 A Y H <> S+ 0 0 2 -3,-0.6 4,-1.5 1,-0.2 -1,-0.3 0.882 98.9 45.9 -51.7 -41.1 2.4 -6.0 21.0 234 234 A Y H <> S+ 0 0 0 -3,-1.3 4,-1.8 2,-0.2 -1,-0.2 0.810 105.8 57.4 -75.3 -31.0 4.9 -8.8 21.0 235 235 A V H X S+ 0 0 28 -4,-1.0 4,-0.9 -3,-0.2 -1,-0.2 0.905 105.8 53.4 -64.9 -38.4 2.8 -11.1 23.1 236 236 A N H ><>S+ 0 0 2 -4,-2.2 5,-3.0 1,-0.2 3,-1.1 0.933 105.3 52.8 -60.5 -47.3 0.2 -10.8 20.4 237 237 A L H ><5S+ 0 0 0 -4,-1.5 3,-2.1 4,-0.3 5,-0.2 0.895 103.2 57.3 -56.3 -41.9 2.7 -11.8 17.7 238 238 A E H 3<5S+ 0 0 55 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.762 110.2 45.3 -60.9 -24.9 3.6 -14.9 19.6 239 239 A E T <<5S- 0 0 73 -3,-1.1 -1,-0.3 -4,-0.9 -2,-0.2 0.188 121.7-107.5-102.3 14.3 -0.1 -15.9 19.5 240 240 A Q T < 5S+ 0 0 72 -3,-2.1 -42,-3.0 -43,-0.1 -3,-0.2 0.818 85.8 123.6 63.1 34.1 -0.4 -15.0 15.8 241 241 A K < + 0 0 47 -5,-3.0 -18,-0.3 -44,-0.2 -4,-0.3 0.084 22.0 134.2-112.1 21.2 -2.4 -11.9 16.6 242 242 A G - 0 0 2 -6,-0.3 -44,-0.1 -5,-0.2 -20,-0.1 -0.541 52.8-139.2 -67.0 139.2 -0.3 -9.2 15.0 243 243 A L S S+ 0 0 1 -22,-0.5 2,-0.2 -2,-0.2 -1,-0.1 0.960 75.7 37.6 -70.1 -55.8 -2.8 -7.0 13.1 244 244 A I S >> S- 0 0 7 -23,-0.1 4,-1.9 1,-0.1 3,-1.0 -0.585 86.6-109.9 -98.8 162.7 -1.0 -6.3 9.8 245 245 A Q H 3> S+ 0 0 17 -66,-0.4 4,-2.3 1,-0.3 5,-0.2 0.911 117.6 55.5 -53.1 -48.3 1.2 -8.5 7.7 246 246 A S H 34 S+ 0 0 14 -105,-1.3 4,-0.4 1,-0.2 -1,-0.3 0.747 107.9 51.2 -59.7 -24.6 4.3 -6.6 8.5 247 247 A D H X4 S+ 0 0 2 -3,-1.0 3,-1.3 2,-0.1 4,-0.4 0.968 112.4 42.1 -75.2 -57.4 3.6 -7.2 12.2 248 248 A Q H >X S+ 0 0 0 -4,-1.9 4,-2.6 1,-0.3 3,-1.5 0.781 102.4 68.6 -62.2 -29.9 3.1 -10.9 12.1 249 249 A E H 3X S+ 0 0 26 -4,-2.3 4,-1.9 1,-0.3 -1,-0.3 0.784 85.0 70.7 -62.9 -24.3 6.0 -11.5 9.7 250 250 A L H <4 S+ 0 0 0 -3,-1.3 -1,-0.3 -4,-0.4 13,-0.2 0.811 116.6 23.4 -60.6 -26.7 8.4 -10.5 12.5 251 251 A F H <4 S+ 0 0 29 -3,-1.5 -2,-0.2 -4,-0.4 -1,-0.2 0.734 133.4 34.4-108.7 -31.0 7.5 -13.8 14.2 252 252 A S H < S+ 0 0 39 -4,-2.6 -3,-0.2 3,-0.0 -2,-0.2 0.538 81.1 114.9-107.5 -8.7 6.2 -16.0 11.3 253 253 A S S >< S- 0 0 17 -4,-1.9 3,-2.1 -5,-0.3 7,-0.1 -0.287 70.2-126.3 -65.0 147.5 8.2 -15.2 8.2 254 254 A P T 3 S+ 0 0 132 0, 0.0 3,-0.3 0, 0.0 -1,-0.1 0.726 116.0 53.0 -63.7 -17.7 10.5 -18.0 6.8 255 255 A N T > S+ 0 0 68 1,-0.2 3,-0.6 -6,-0.1 4,-0.2 0.235 80.5 99.8-100.0 11.7 13.2 -15.3 7.1 256 256 A A T <> + 0 0 0 -3,-2.1 4,-2.7 1,-0.2 -1,-0.2 0.173 37.8 114.7 -87.1 19.8 12.5 -14.6 10.8 257 257 A T T 34 S+ 0 0 123 -3,-0.3 -1,-0.2 1,-0.2 -2,-0.1 0.872 87.4 37.1 -56.9 -35.9 15.3 -16.7 12.2 258 258 A D T <4 S+ 0 0 58 -3,-0.6 4,-0.4 2,-0.1 -1,-0.2 0.753 119.5 46.8 -88.5 -24.5 16.9 -13.5 13.5 259 259 A T T > S+ 0 0 0 -4,-0.2 4,-2.5 2,-0.1 3,-0.2 0.772 96.3 69.9 -89.8 -26.7 13.7 -11.6 14.5 260 260 A I H X S+ 0 0 52 -4,-2.7 4,-2.6 1,-0.2 5,-0.2 0.919 99.2 49.1 -57.2 -47.4 11.9 -14.4 16.4 261 261 A P H > S+ 0 0 70 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.826 111.7 50.8 -63.9 -28.7 14.3 -14.3 19.4 262 262 A L H > S+ 0 0 38 -4,-0.4 4,-2.3 -3,-0.2 -2,-0.2 0.914 109.1 50.2 -72.6 -43.3 14.0 -10.5 19.5 263 263 A V H X S+ 0 0 0 -4,-2.5 4,-1.8 -13,-0.2 5,-0.2 0.936 113.7 45.6 -59.0 -47.5 10.2 -10.8 19.5 264 264 A R H X S+ 0 0 119 -4,-2.6 4,-2.3 1,-0.2 3,-0.2 0.942 111.0 52.8 -61.6 -47.7 10.3 -13.3 22.3 265 265 A S H X S+ 0 0 38 -4,-2.2 4,-1.4 1,-0.2 8,-0.2 0.872 112.1 45.3 -57.0 -39.5 12.8 -11.3 24.3 266 266 A F H < S+ 0 0 6 -4,-2.3 7,-0.3 1,-0.2 -1,-0.2 0.789 112.3 51.0 -75.6 -28.5 10.6 -8.2 24.1 267 267 A A H < S+ 0 0 11 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.820 111.1 50.2 -76.3 -29.9 7.5 -10.1 25.0 268 268 A N H < S+ 0 0 125 -4,-2.3 2,-0.4 1,-0.2 -2,-0.2 0.802 118.0 31.4 -78.7 -31.3 9.2 -11.6 28.0 269 269 A S X - 0 0 37 -4,-1.4 4,-2.2 -5,-0.2 -1,-0.2 -0.956 52.0-163.0-138.3 121.8 10.6 -8.4 29.5 270 270 A T H > S+ 0 0 63 -2,-0.4 4,-3.4 1,-0.2 5,-0.2 0.907 99.8 53.2 -61.6 -41.9 9.2 -4.9 29.5 271 271 A Q H > S+ 0 0 140 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.917 107.3 50.5 -59.7 -45.8 12.6 -3.6 30.5 272 272 A T H > S+ 0 0 56 -7,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.928 115.0 44.1 -59.4 -44.7 14.3 -5.4 27.6 273 273 A F H X S+ 0 0 0 -4,-2.2 4,-2.8 -7,-0.3 -2,-0.2 0.964 113.5 48.6 -64.9 -53.2 11.7 -3.9 25.2 274 274 A F H X S+ 0 0 34 -4,-3.4 4,-2.3 1,-0.2 5,-0.2 0.887 111.7 50.2 -55.5 -42.1 11.9 -0.4 26.6 275 275 A N H X S+ 0 0 101 -4,-2.7 4,-2.2 -5,-0.2 -1,-0.2 0.937 113.6 45.5 -62.0 -46.0 15.7 -0.4 26.5 276 276 A A H X S+ 0 0 19 -4,-2.0 4,-2.7 -5,-0.2 -2,-0.2 0.841 110.8 53.9 -65.5 -35.7 15.7 -1.6 22.9 277 277 A F H X S+ 0 0 1 -4,-2.8 4,-2.9 2,-0.2 -1,-0.2 0.912 110.0 45.7 -67.1 -43.9 13.0 0.9 21.9 278 278 A V H X S+ 0 0 28 -4,-2.3 4,-2.4 2,-0.2 5,-0.2 0.929 114.2 49.7 -64.7 -42.9 14.9 3.9 23.3 279 279 A E H X S+ 0 0 113 -4,-2.2 4,-1.6 -5,-0.2 -2,-0.2 0.935 115.8 41.9 -61.0 -47.1 18.1 2.6 21.6 280 280 A A H X S+ 0 0 2 -4,-2.7 4,-2.7 2,-0.2 5,-0.2 0.878 112.0 55.3 -68.7 -38.5 16.4 2.2 18.3 281 281 A M H X S+ 0 0 8 -4,-2.9 4,-2.5 1,-0.2 -2,-0.2 0.920 109.2 46.7 -61.1 -44.0 14.4 5.4 18.6 282 282 A D H < S+ 0 0 40 -4,-2.4 4,-0.4 2,-0.2 -1,-0.2 0.849 111.5 52.1 -68.7 -31.6 17.6 7.4 19.1 283 283 A R H >< S+ 0 0 65 -4,-1.6 3,-1.1 -5,-0.2 -2,-0.2 0.934 112.0 45.2 -68.7 -43.2 19.2 5.6 16.1 284 284 A M H >< S+ 0 0 2 -4,-2.7 3,-1.6 1,-0.3 -235,-0.2 0.891 109.3 56.3 -65.6 -37.6 16.3 6.5 13.9 285 285 A G T 3< S+ 0 0 1 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.581 101.5 59.7 -70.1 -7.6 16.4 10.0 15.2 286 286 A N T < S+ 0 0 77 -3,-1.1 2,-0.5 -4,-0.4 -1,-0.3 0.235 73.4 129.4-102.4 9.7 20.0 10.2 14.1 287 287 A I S < S- 0 0 14 -3,-1.6 -238,-1.3 1,-0.2 -131,-0.1 -0.577 88.9 -43.0 -73.7 120.0 19.3 9.5 10.4 288 288 A T S S- 0 0 91 -2,-0.5 -1,-0.2 -240,-0.2 2,-0.1 0.729 80.0-174.0 25.1 62.1 20.9 12.1 8.1 289 289 A P - 0 0 34 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.408 25.9-124.9 -79.7 154.1 20.1 15.2 10.2 290 290 A L B +B 124 0B 44 -166,-0.5 -166,-1.8 -241,-0.3 2,-0.2 -0.835 44.3 171.0 -92.2 135.3 20.9 18.7 9.1 291 291 A T > + 0 0 44 -2,-0.5 3,-2.6 -168,-0.2 2,-0.5 -0.821 36.2 15.4-138.8 178.2 23.0 20.4 11.7 292 292 A G T 3 S- 0 0 59 -170,-0.4 -2,-0.1 1,-0.3 -170,-0.0 -0.403 131.7 -17.5 61.2-111.7 25.1 23.5 12.5 293 293 A T T 3 S+ 0 0 135 -2,-0.5 -1,-0.3 -169,-0.0 2,-0.2 0.340 107.0 116.2-108.1 3.0 24.2 26.1 9.9 294 294 A Q S < S- 0 0 99 -3,-2.6 -169,-0.1 2,-0.0 -4,-0.1 -0.493 80.1 -10.7 -73.2 139.8 22.6 23.7 7.5 295 295 A G S S- 0 0 21 -2,-0.2 2,-0.2 -171,-0.1 -169,-0.2 -0.223 91.5 -87.0 66.7-162.3 18.9 24.2 6.8 296 296 A Q B -C 125 0C 39 -171,-1.8 -171,-3.2 -170,-0.0 2,-0.8 -0.759 21.6-104.5-136.5-178.8 17.0 26.6 9.0 297 297 A I - 0 0 26 -2,-0.2 2,-0.1 -173,-0.2 -201,-0.1 -0.927 49.9-140.8-109.1 95.1 15.0 27.0 12.2 298 298 A R - 0 0 0 -2,-0.8 3,-0.2 1,-0.1 6,-0.1 -0.386 16.2-162.7 -62.3 133.4 11.6 27.1 10.6 299 299 A L S S+ 0 0 79 1,-0.3 2,-0.5 4,-0.2 -1,-0.1 0.834 87.9 31.9 -85.3 -36.7 9.2 29.6 12.2 300 300 A N B > S-E 303 0E 75 3,-0.5 3,-2.0 1,-0.1 -1,-0.3 -0.982 79.6-148.1-120.7 110.4 6.1 28.0 10.6 301 301 A c T 3 S+ 0 0 2 -2,-0.5 -1,-0.1 1,-0.3 -3,-0.1 0.692 94.2 61.8 -56.4 -16.9 6.6 24.3 10.2 302 302 A R T 3 S+ 0 0 60 -247,-0.2 -246,-2.5 1,-0.1 2,-0.3 0.660 108.2 35.7 -84.2 -17.5 4.4 24.3 7.1 303 303 A V B < S-E 300 0E 71 -3,-2.0 -3,-0.5 -248,-0.2 -4,-0.2 -0.984 81.6-109.8-140.2 150.1 6.6 26.6 5.1 304 304 A V - 0 0 42 -2,-0.3 -177,-0.1 1,-0.1 -3,-0.0 -0.484 50.0 -97.7 -72.6 144.3 10.3 27.4 4.5 305 305 A N 0 0 54 1,-0.1 -1,-0.1 -2,-0.1 -7,-0.1 -0.319 360.0 360.0 -62.9 147.7 11.4 30.7 5.9 306 306 A S 0 0 172 -3,-0.1 -1,-0.1 0, 0.0 -2,-0.0 0.638 360.0 360.0-127.9 360.0 11.5 33.6 3.4