==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 25-MAR-02 1GWT . COMPND 2 MOLECULE: PEROXIDASE C1A; . SOURCE 2 ORGANISM_SCIENTIFIC: ARMORACIA RUSTICANA; . AUTHOR A.HENRIKSEN,N.BRISSETT,M.GAJHEDE . 307 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13228.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 197 64.2 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 37.1 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 0 A M 0 0 184 0, 0.0 292,-0.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 77.9 28.3 14.7 43.5 2 1 A Q - 0 0 188 1,-0.1 2,-0.1 290,-0.1 120,-0.1 -0.163 360.0 -89.2 -66.0 161.3 26.6 17.9 42.2 3 2 A L - 0 0 24 118,-0.1 120,-0.2 284,-0.1 -1,-0.1 -0.448 45.3-170.8 -73.0 144.4 23.2 17.9 40.6 4 3 A T B > -A 122 0A 50 118,-2.7 3,-1.6 -2,-0.1 118,-1.2 -1.000 30.6-135.9-140.8 139.2 23.0 17.4 36.8 5 4 A P T 3 S+ 0 0 45 0, 0.0 3,-0.4 0, 0.0 115,-0.1 0.724 106.4 57.2 -63.9 -21.0 20.2 17.7 34.2 6 5 A T T > + 0 0 76 1,-0.2 3,-2.0 116,-0.1 4,-0.3 0.335 69.5 116.5 -93.2 7.4 21.3 14.5 32.6 7 6 A F T < S+ 0 0 99 -3,-1.6 4,-0.3 1,-0.3 3,-0.3 0.788 86.1 30.0 -46.0 -39.2 21.0 12.4 35.8 8 7 A Y T 3> S+ 0 0 4 -3,-0.4 4,-2.6 1,-0.2 -1,-0.3 0.284 83.1 110.9-108.0 12.6 18.2 10.2 34.3 9 8 A D T <4 S+ 0 0 57 -3,-2.0 -1,-0.2 1,-0.2 -2,-0.1 0.701 95.5 25.6 -60.2 -18.0 19.1 10.2 30.6 10 9 A N T 4 S+ 0 0 162 -4,-0.3 -1,-0.2 -3,-0.3 -2,-0.1 0.740 127.5 42.5-111.0 -40.1 20.1 6.6 30.9 11 10 A S T 4 S- 0 0 59 -4,-0.3 -2,-0.2 1,-0.2 -3,-0.1 0.750 139.4 -1.2 -81.1 -26.3 18.1 5.2 33.8 12 11 A a >< + 0 0 0 -4,-2.6 3,-2.2 83,-0.1 4,-0.3 -0.264 65.1 166.4-163.4 64.3 14.8 7.0 32.9 13 12 A P T 3 S+ 0 0 71 0, 0.0 4,-0.2 0, 0.0 3,-0.1 0.578 81.2 54.7 -60.8 -10.1 15.0 9.2 29.8 14 13 A N T 3> S+ 0 0 94 -6,-0.1 4,-2.2 1,-0.1 5,-0.2 0.317 74.4 103.6-106.6 7.3 11.2 9.4 29.7 15 14 A V H <> S+ 0 0 8 -3,-2.2 4,-2.3 1,-0.2 5,-0.2 0.919 81.3 48.6 -55.7 -48.4 10.7 10.7 33.2 16 15 A S H > S+ 0 0 37 -4,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.863 111.3 51.5 -60.8 -36.7 10.0 14.3 32.1 17 16 A N H > S+ 0 0 82 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.892 109.1 49.4 -67.7 -40.7 7.6 13.1 29.5 18 17 A I H X S+ 0 0 31 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.913 111.9 49.0 -64.3 -43.2 5.6 11.0 32.0 19 18 A V H X S+ 0 0 0 -4,-2.3 4,-2.0 -5,-0.2 -2,-0.2 0.939 111.5 49.7 -61.2 -48.4 5.5 13.9 34.4 20 19 A R H X S+ 0 0 108 -4,-2.4 4,-3.0 1,-0.2 5,-0.2 0.923 109.3 50.2 -57.5 -49.6 4.2 16.2 31.6 21 20 A D H X S+ 0 0 95 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.878 108.8 53.1 -58.7 -39.4 1.5 13.9 30.4 22 21 A T H X S+ 0 0 15 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.916 112.7 43.8 -63.0 -42.7 0.2 13.5 34.0 23 22 A I H X S+ 0 0 0 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.920 110.9 53.8 -68.9 -43.7 -0.1 17.2 34.4 24 23 A V H X S+ 0 0 54 -4,-3.0 4,-0.7 1,-0.2 -2,-0.2 0.928 111.9 46.4 -54.9 -46.7 -1.6 17.7 31.0 25 24 A N H >X S+ 0 0 69 -4,-2.3 3,-1.0 1,-0.2 4,-0.7 0.927 113.2 47.8 -61.9 -48.0 -4.3 15.2 31.9 26 25 A E H >X S+ 0 0 24 -4,-2.2 4,-2.6 1,-0.2 3,-0.6 0.848 100.6 67.0 -64.2 -34.9 -4.9 16.7 35.4 27 26 A L H 3< S+ 0 0 45 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.748 91.2 63.6 -58.9 -26.2 -5.2 20.2 33.9 28 27 A R H << S+ 0 0 181 -3,-1.0 -1,-0.2 -4,-0.7 -2,-0.2 0.919 115.7 27.9 -66.3 -43.4 -8.4 19.3 32.1 29 28 A S H << S+ 0 0 93 -4,-0.7 -2,-0.2 -3,-0.6 -1,-0.2 0.755 137.1 29.1 -88.6 -26.7 -10.3 18.7 35.3 30 29 A D >< - 0 0 26 -4,-2.6 3,-1.4 -5,-0.1 4,-0.3 -0.799 59.1-178.2-138.4 93.8 -8.3 21.1 37.5 31 30 A P T 3 S+ 0 0 87 0, 0.0 4,-0.2 0, 0.0 143,-0.1 0.460 84.0 62.5 -69.9 0.6 -6.7 24.1 35.7 32 31 A R T 3> S+ 0 0 54 1,-0.1 4,-2.4 2,-0.1 3,-0.4 0.588 75.1 91.0-100.0 -14.2 -5.1 25.2 39.0 33 32 A I H <> S+ 0 0 0 -3,-1.4 4,-2.6 1,-0.2 5,-0.2 0.819 80.5 57.9 -52.5 -38.5 -2.9 22.1 39.4 34 33 A A H > S+ 0 0 4 -4,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.952 110.6 42.2 -59.5 -50.5 0.0 23.6 37.6 35 34 A A H > S+ 0 0 14 -3,-0.4 4,-2.1 -4,-0.2 -2,-0.2 0.920 113.8 53.7 -61.3 -43.7 0.2 26.5 40.0 36 35 A S H X S+ 0 0 11 -4,-2.4 4,-1.6 1,-0.2 40,-0.3 0.878 107.9 49.7 -59.1 -40.9 -0.4 24.2 42.9 37 36 A I H X S+ 0 0 0 -4,-2.6 4,-1.8 2,-0.2 -1,-0.2 0.906 107.9 52.7 -66.6 -43.3 2.5 21.9 41.9 38 37 A L H X S+ 0 0 13 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.917 109.3 50.4 -59.4 -42.0 5.0 24.8 41.6 39 38 A R H X S+ 0 0 83 -4,-2.1 4,-2.9 1,-0.2 -1,-0.2 0.868 104.6 57.4 -65.4 -35.3 4.1 26.0 45.0 40 39 A L H X S+ 0 0 1 -4,-1.6 4,-1.4 1,-0.2 -1,-0.2 0.906 106.9 48.9 -60.3 -41.7 4.6 22.4 46.5 41 40 A H H X S+ 0 0 1 -4,-1.8 4,-2.8 2,-0.2 -1,-0.2 0.899 110.6 50.9 -63.9 -42.3 8.2 22.5 45.1 42 41 A F H X S+ 0 0 45 -4,-1.8 4,-1.8 1,-0.2 -2,-0.2 0.952 111.7 46.8 -60.2 -50.7 8.7 25.9 46.7 43 42 A H H < S+ 0 0 7 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.741 112.2 52.4 -66.8 -21.1 7.5 24.7 50.0 44 43 A D H >< S+ 0 0 0 -4,-1.4 3,-1.7 -5,-0.2 7,-0.3 0.968 110.5 45.7 -74.9 -55.1 9.6 21.6 49.7 45 44 A b H 3X S+ 0 0 0 -4,-2.8 4,-0.7 1,-0.3 5,-0.2 0.740 105.1 60.2 -57.4 -31.2 12.8 23.5 49.0 46 45 A F T 3< S+ 0 0 1 -4,-1.8 2,-0.4 1,-0.2 -1,-0.3 0.407 100.1 62.6 -81.2 2.3 12.4 26.1 51.8 47 46 A V T <4 S- 0 0 0 -3,-1.7 4,-0.3 2,-0.3 6,-0.2 -0.871 134.5 -33.6-132.9 101.1 12.3 23.4 54.5 48 47 A N T 4 S- 0 0 63 -2,-0.4 -2,-0.1 86,-0.1 -3,-0.1 0.662 113.5 -75.5 63.0 18.3 15.5 21.4 54.8 49 48 A G S < S- 0 0 1 -4,-0.7 2,-1.8 -5,-0.2 4,-0.4 -0.202 77.6 -40.1 88.5 177.5 16.0 21.7 51.1 50 49 A b S S+ 0 0 0 238,-1.3 241,-0.3 235,-0.2 -5,-0.2 -0.596 86.2 127.3 -84.0 85.4 14.3 20.1 48.1 51 50 A D S S- 0 0 0 -2,-1.8 76,-2.7 -4,-0.3 48,-0.2 0.075 79.7-109.7-127.4 18.9 14.1 16.6 49.7 52 51 A A S > S+ 0 0 0 74,-0.2 3,-0.7 47,-0.2 4,-0.4 0.742 74.3 138.8 55.4 25.6 10.4 15.8 49.3 53 52 A S G > + 0 0 0 -4,-0.4 3,-1.0 -6,-0.2 12,-0.4 0.837 64.9 61.3 -68.0 -28.0 10.1 16.1 53.0 54 53 A I G 3 S+ 0 0 0 1,-0.2 -1,-0.2 -7,-0.1 12,-0.2 0.754 94.6 62.3 -68.8 -24.2 6.8 18.0 52.5 55 54 A L G < S+ 0 0 5 -3,-0.7 -1,-0.2 10,-0.1 2,-0.2 0.647 81.1 105.3 -77.9 -13.2 5.3 14.9 50.7 56 55 A L < - 0 0 1 -3,-1.0 10,-0.4 -4,-0.4 9,-0.4 -0.450 63.6-139.5 -71.9 137.0 5.6 12.8 53.9 57 56 A D - 0 0 49 246,-2.5 73,-0.1 1,-0.2 -1,-0.1 -0.442 39.8 -65.7 -89.4 168.6 2.4 12.0 55.8 58 57 A N + 0 0 88 -2,-0.1 2,-0.3 6,-0.1 5,-0.2 -0.152 55.2 179.6 -53.3 141.0 2.0 11.9 59.6 59 58 A T - 0 0 42 3,-2.2 3,-0.1 -3,-0.1 5,-0.0 -0.938 43.0-110.3-140.5 161.4 3.9 9.2 61.5 60 59 A T S S+ 0 0 150 -2,-0.3 3,-0.1 1,-0.2 -2,-0.1 0.717 119.7 48.5 -67.3 -16.5 4.2 8.3 65.2 61 60 A S S S+ 0 0 94 1,-0.3 2,-0.3 2,-0.0 -1,-0.2 0.781 123.1 12.4 -92.7 -31.6 7.8 9.6 65.1 62 61 A F S S- 0 0 30 -3,-0.1 -3,-2.2 69,-0.0 -1,-0.3 -0.998 71.6-117.4-148.4 149.7 7.3 12.9 63.3 63 62 A R - 0 0 114 -2,-0.3 69,-0.5 -5,-0.2 2,-0.2 -0.534 39.2-105.7 -83.3 153.2 4.5 15.3 62.4 64 63 A T > - 0 0 7 -2,-0.2 3,-1.4 1,-0.1 -7,-0.1 -0.494 11.4-134.4 -79.7 145.9 3.8 16.1 58.8 65 64 A E G > S+ 0 0 0 -12,-0.4 3,-2.1 -9,-0.4 6,-0.3 0.674 99.2 82.0 -69.8 -14.8 4.7 19.4 57.2 66 65 A K G 3 S+ 0 0 29 -10,-0.4 -1,-0.3 1,-0.3 7,-0.2 0.677 85.7 56.7 -64.0 -17.0 1.2 19.4 55.8 67 66 A D G < S+ 0 0 97 -3,-1.4 -1,-0.3 5,-0.1 -2,-0.1 0.207 81.4 119.6 -98.2 13.9 -0.1 20.6 59.1 68 67 A A S X> S- 0 0 0 -3,-2.1 4,-3.5 1,-0.1 3,-1.1 -0.432 79.5-112.4 -75.2 154.8 2.2 23.7 59.0 69 68 A F T 34 S+ 0 0 178 1,-0.3 -1,-0.1 2,-0.2 67,-0.1 0.842 119.5 49.2 -57.4 -32.3 0.5 27.1 59.0 70 69 A G T 34 S+ 0 0 23 1,-0.1 -1,-0.3 -5,-0.1 -4,-0.1 0.660 121.9 32.3 -81.6 -16.1 1.6 27.7 55.4 71 70 A N T X> S+ 0 0 4 -3,-1.1 4,-2.2 -6,-0.3 3,-2.1 0.764 87.4 104.7-107.8 -36.6 0.4 24.3 54.2 72 71 A A T 3< S- 0 0 37 -4,-3.5 -5,-0.1 1,-0.3 -6,-0.0 -0.244 105.5 -9.8 -53.7 128.1 -2.7 23.4 56.2 73 72 A N T 34 S+ 0 0 158 -7,-0.2 -1,-0.3 1,-0.1 3,-0.1 0.827 136.0 66.5 49.7 35.4 -5.8 23.9 54.1 74 73 A S T <4 S+ 0 0 14 -3,-2.1 -2,-0.2 1,-0.3 -3,-0.1 0.432 75.5 73.8-143.1 -59.8 -3.6 25.6 51.5 75 74 A A < + 0 0 18 -4,-2.2 -1,-0.3 -9,-0.2 2,-0.3 -0.363 61.9 164.2 -64.9 145.4 -1.1 23.3 49.8 76 75 A R + 0 0 79 -40,-0.3 -36,-0.2 -3,-0.1 -37,-0.0 -0.951 34.6 75.1-155.5 172.2 -2.7 20.8 47.4 77 76 A G >> + 0 0 8 -2,-0.3 4,-1.5 -37,-0.0 3,-0.7 0.415 52.2 131.8 98.9 -0.0 -2.0 18.5 44.5 78 77 A F H 3> S+ 0 0 24 1,-0.2 4,-1.7 2,-0.2 3,-0.2 0.863 71.0 54.0 -53.7 -41.5 -0.6 15.7 46.6 79 78 A P H 3> S+ 0 0 75 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.862 105.8 54.6 -62.9 -33.1 -2.8 13.0 44.9 80 79 A V H <> S+ 0 0 7 -3,-0.7 4,-2.1 1,-0.2 5,-0.2 0.849 104.9 52.9 -68.6 -34.3 -1.4 14.1 41.5 81 80 A I H X S+ 0 0 1 -4,-1.5 4,-2.1 1,-0.2 -1,-0.2 0.887 107.1 52.4 -68.4 -36.7 2.1 13.6 42.7 82 81 A D H X S+ 0 0 42 -4,-1.7 4,-2.6 2,-0.2 -2,-0.2 0.897 108.1 52.9 -64.1 -39.4 1.3 10.1 43.8 83 82 A R H X S+ 0 0 110 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.942 112.3 40.9 -62.5 -52.0 -0.1 9.4 40.3 84 83 A M H X S+ 0 0 0 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.855 114.1 55.5 -67.5 -31.1 2.9 10.5 38.3 85 84 A K H X S+ 0 0 6 -4,-2.1 4,-2.6 -5,-0.2 -2,-0.2 0.935 108.5 47.0 -64.3 -44.8 5.1 8.8 40.9 86 85 A A H X S+ 0 0 56 -4,-2.6 4,-1.4 1,-0.2 -2,-0.2 0.909 112.7 49.9 -61.8 -43.0 3.3 5.5 40.3 87 86 A A H X S+ 0 0 38 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.889 112.7 46.4 -63.1 -41.6 3.6 6.0 36.6 88 87 A V H X S+ 0 0 0 -4,-2.5 4,-3.4 1,-0.2 -2,-0.2 0.889 107.7 56.7 -69.3 -38.9 7.3 6.7 36.8 89 88 A E H < S+ 0 0 33 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.823 108.0 49.5 -61.9 -30.4 7.8 3.7 39.1 90 89 A S H < S+ 0 0 105 -4,-1.4 -1,-0.2 2,-0.2 -2,-0.2 0.910 115.5 41.4 -73.6 -44.1 6.3 1.5 36.4 91 90 A A H < S+ 0 0 59 -4,-1.8 -2,-0.2 1,-0.3 -3,-0.2 0.892 137.5 12.7 -69.6 -41.6 8.5 2.9 33.7 92 91 A a S >X S- 0 0 15 -4,-3.4 3,-1.1 -5,-0.1 4,-0.6 -0.760 83.3-143.3-142.1 91.3 11.6 2.9 35.8 93 92 A P T 34 S- 0 0 64 0, 0.0 -3,-0.1 0, 0.0 -4,-0.1 -0.239 77.6 -10.4 -57.2 135.3 11.4 1.0 39.2 94 93 A R T 34 S+ 0 0 166 1,-0.1 3,-0.1 2,-0.1 206,-0.1 0.808 109.1 103.6 44.2 44.3 13.2 2.5 42.2 95 94 A T T <4 + 0 0 32 -3,-1.1 2,-0.6 1,-0.2 -1,-0.1 0.779 59.1 59.0-117.2 -50.2 15.0 5.1 40.1 96 95 A V S < S- 0 0 1 -4,-0.6 -1,-0.2 -11,-0.1 -2,-0.1 -0.778 73.8-136.5 -94.0 120.6 13.5 8.6 40.3 97 96 A S > - 0 0 1 -2,-0.6 4,-2.6 27,-0.3 5,-0.1 -0.308 17.9-122.2 -69.8 156.1 13.4 10.2 43.8 98 97 A c H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.869 113.8 58.3 -65.8 -34.6 10.3 12.1 44.9 99 98 A A H > S+ 0 0 0 -48,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.927 111.2 40.2 -60.3 -46.3 12.4 15.2 45.4 100 99 A D H > S+ 0 0 0 24,-0.4 4,-2.7 2,-0.2 5,-0.2 0.898 112.5 56.4 -68.5 -42.3 13.5 15.1 41.7 101 100 A L H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.910 108.4 47.0 -55.9 -45.2 10.0 14.2 40.6 102 101 A L H X S+ 0 0 0 -4,-2.6 4,-1.9 2,-0.2 -1,-0.2 0.843 110.6 52.8 -67.2 -34.0 8.5 17.2 42.3 103 102 A T H X S+ 0 0 5 -4,-1.4 4,-2.2 -5,-0.2 -2,-0.2 0.938 112.1 44.3 -67.0 -46.4 11.3 19.5 40.8 104 103 A I H X S+ 0 0 5 -4,-2.7 4,-3.0 1,-0.2 5,-0.2 0.907 112.0 54.0 -63.4 -41.2 10.5 18.2 37.3 105 104 A A H X S+ 0 0 0 -4,-2.5 4,-1.7 -5,-0.2 -1,-0.2 0.854 107.9 50.2 -61.5 -36.5 6.8 18.6 37.9 106 105 A A H X S+ 0 0 0 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.940 112.6 46.1 -68.3 -45.8 7.3 22.2 39.0 107 106 A Q H X S+ 0 0 8 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.926 114.1 47.5 -62.1 -46.6 9.3 23.0 35.8 108 107 A Q H X S+ 0 0 21 -4,-3.0 4,-2.8 1,-0.2 -1,-0.2 0.831 108.7 55.5 -64.9 -32.7 6.8 21.2 33.5 109 108 A S H X S+ 0 0 0 -4,-1.7 4,-1.5 -5,-0.2 -1,-0.2 0.919 108.8 47.9 -65.7 -43.1 3.9 23.0 35.3 110 109 A V H <>S+ 0 0 0 -4,-2.0 5,-2.8 2,-0.2 -2,-0.2 0.944 114.4 45.5 -62.5 -47.4 5.6 26.3 34.5 111 110 A T H ><5S+ 0 0 35 -4,-2.3 3,-2.0 1,-0.2 -2,-0.2 0.918 110.5 53.1 -63.1 -44.2 6.2 25.4 30.8 112 111 A L H 3<5S+ 0 0 48 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.812 105.0 56.0 -61.8 -29.4 2.7 24.0 30.4 113 112 A A T 3<5S- 0 0 16 -4,-1.5 117,-2.7 -3,-0.2 -1,-0.3 0.388 133.6 -90.8 -83.1 3.5 1.2 27.3 31.7 114 113 A G T < 5S+ 0 0 47 -3,-2.0 -3,-0.2 1,-0.2 -2,-0.2 0.460 87.0 127.8 102.6 3.5 3.2 29.1 29.0 115 114 A G < - 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0 0 38 42,-2.8 4,-2.2 -2,-0.5 5,-0.1 -0.253 24.7-134.9 -49.9 129.0 -5.0 50.4 44.3 200 199 A T H > S+ 0 0 100 1,-0.2 4,-1.4 2,-0.2 -1,-0.1 0.809 103.2 50.2 -60.3 -34.5 -8.4 51.9 45.4 201 200 A T H > S+ 0 0 95 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.918 113.2 45.2 -71.0 -42.7 -10.3 50.6 42.4 202 201 A Y H > S+ 0 0 14 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.830 106.1 63.1 -68.3 -31.2 -8.9 47.1 42.8 203 202 A L H X S+ 0 0 12 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.921 102.0 49.4 -58.1 -45.2 -9.7 47.5 46.5 204 203 A Q H X S+ 0 0 110 -4,-1.4 4,-1.4 2,-0.2 -1,-0.2 0.918 111.4 48.9 -61.1 -45.0 -13.4 47.8 45.7 205 204 A T H X S+ 0 0 78 -4,-1.5 4,-1.3 1,-0.2 3,-0.3 0.928 112.4 47.5 -61.0 -47.0 -13.3 44.7 43.5 206 205 A L H X S+ 0 0 0 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.847 108.0 55.3 -64.3 -35.8 -11.5 42.6 46.2 207 206 A R H < S+ 0 0 75 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.817 106.0 53.2 -66.7 -29.2 -13.9 43.8 48.9 208 207 A G H < S+ 0 0 61 -4,-1.4 -1,-0.2 -3,-0.3 -2,-0.2 0.828 114.4 40.5 -73.4 -31.7 -16.7 42.5 46.7 209 208 A L H < S+ 0 0 95 -4,-1.3 -2,-0.2 1,-0.2 -1,-0.2 0.773 128.5 32.6 -83.5 -29.8 -15.0 39.1 46.4 210 209 A d S < S- 0 0 2 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.1 -0.610 79.9-179.2-129.8 71.2 -14.0 39.1 50.1 211 210 A P > - 0 0 64 0, 0.0 3,-1.7 0, 0.0 -3,-0.1 -0.269 42.1 -83.5 -69.9 157.7 -16.6 41.0 52.2 212 211 A L T 3 S+ 0 0 103 1,-0.3 3,-0.1 -5,-0.1 -30,-0.0 -0.326 117.0 11.7 -60.1 142.2 -16.2 41.4 55.9 213 212 A N T 3 S+ 0 0 160 1,-0.2 -1,-0.3 -3,-0.1 2,-0.1 0.723 106.3 129.9 59.9 23.3 -17.4 38.4 57.9 214 213 A G S < S- 0 0 29 -3,-1.7 2,-0.8 1,-0.1 -1,-0.2 -0.202 73.8 -56.6 -94.0-171.0 -17.5 36.5 54.6 215 214 A N > - 0 0 110 1,-0.2 3,-1.3 -3,-0.1 -37,-0.3 -0.588 45.4-165.0 -71.4 108.8 -16.1 33.1 53.6 216 215 A L T 3 S+ 0 0 65 -2,-0.8 -37,-2.6 1,-0.2 -36,-0.2 0.644 85.1 61.1 -71.0 -14.4 -12.4 33.4 54.3 217 216 A S T 3 S+ 0 0 58 -39,-0.2 -1,-0.2 -40,-0.2 -2,-0.1 0.513 74.1 121.8 -89.8 -6.8 -11.7 30.3 52.2 218 217 A A < - 0 0 31 -3,-1.3 -40,-2.4 -41,-0.1 2,-0.3 -0.276 63.1-122.7 -56.1 142.7 -13.1 31.9 49.0 219 218 A L E -D 177 0D 77 -42,-0.2 2,-0.4 -41,-0.1 -42,-0.2 -0.735 26.1-173.4 -99.2 140.8 -10.5 32.0 46.2 220 219 A V E -D 176 0D 8 -44,-2.7 -44,-2.5 -2,-0.3 2,-0.2 -0.963 33.7-103.7-127.6 143.7 -9.2 35.0 44.3 221 220 A D E -D 175 0D 49 -2,-0.4 -46,-0.2 -46,-0.2 3,-0.1 -0.494 17.9-145.1 -69.9 131.7 -6.8 35.0 41.4 222 221 A M S S+ 0 0 15 -48,-2.3 2,-0.6 -2,-0.2 22,-0.5 0.862 94.6 41.9 -61.5 -36.8 -3.2 36.0 42.2 223 222 A D - 0 0 0 -49,-0.4 -1,-0.2 4,-0.2 6,-0.1 -0.945 66.8-168.1-116.4 110.4 -2.9 37.7 38.8 224 223 A L S S+ 0 0 59 -2,-0.6 -1,-0.1 18,-0.3 -2,-0.1 0.722 86.2 53.4 -70.3 -20.3 -6.0 39.7 37.8 225 224 A R S S+ 0 0 90 1,-0.2 -1,-0.1 2,-0.1 -53,-0.0 0.981 130.2 3.0 -78.0 -64.4 -4.6 40.1 34.2 226 225 A T > - 0 0 28 3,-0.1 3,-0.9 -54,-0.1 -1,-0.2 -0.708 69.4-176.5-127.6 81.5 -3.9 36.5 33.2 227 226 A P T 3 S+ 0 0 36 0, 0.0 -53,-1.2 0, 0.0 -5,-0.2 0.681 84.3 24.7 -45.9 -33.5 -5.0 34.2 36.1 228 227 A T T 3 S+ 0 0 88 -55,-0.2 2,-0.5 -7,-0.1 -55,-0.1 0.403 101.8 93.8-118.8 0.3 -3.8 30.9 34.5 229 228 A I < - 0 0 80 -3,-0.9 2,-1.1 -57,-0.3 -115,-0.2 -0.829 69.8-133.7-101.1 130.5 -1.0 32.0 32.2 230 229 A F + 0 0 2 -117,-2.7 2,-0.3 -2,-0.5 -57,-0.1 -0.690 58.9 117.6 -82.5 102.4 2.6 32.1 33.3 231 230 A D S > S- 0 0 22 -2,-1.1 3,-0.7 -62,-0.2 -116,-0.1 -0.856 78.5 -87.0-150.8-176.1 3.8 35.4 32.1 232 231 A N T >> S+ 0 0 13 -2,-0.3 3,-1.3 1,-0.2 4,-1.0 0.315 90.0 105.7 -85.8 10.2 5.3 38.7 33.4 233 232 A K H 3> + 0 0 80 1,-0.3 4,-2.1 2,-0.2 3,-0.2 0.812 66.8 71.9 -58.8 -31.0 1.8 40.3 33.9 234 233 A Y H <> S+ 0 0 2 -3,-0.7 4,-1.4 1,-0.2 -1,-0.3 0.875 98.9 46.8 -52.1 -39.8 2.3 39.9 37.7 235 234 A Y H <> S+ 0 0 0 -3,-1.3 4,-1.8 2,-0.2 -1,-0.2 0.829 105.1 58.1 -75.0 -31.4 4.9 42.6 37.6 236 235 A V H X S+ 0 0 32 -4,-1.0 4,-0.8 -3,-0.2 -1,-0.2 0.906 105.2 53.3 -63.0 -38.3 2.7 45.0 35.6 237 236 A N H ><>S+ 0 0 2 -4,-2.1 5,-3.4 1,-0.2 3,-1.0 0.904 104.8 53.7 -61.8 -44.0 0.2 44.7 38.4 238 237 A L H ><5S+ 0 0 0 -4,-1.4 3,-2.1 4,-0.3 5,-0.2 0.897 102.5 57.2 -59.0 -41.9 2.7 45.7 41.0 239 238 A E H 3<5S+ 0 0 56 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.751 110.6 45.1 -61.7 -22.5 3.6 48.8 39.1 240 239 A E T <<5S- 0 0 78 -3,-1.0 -1,-0.3 -4,-0.8 -2,-0.2 0.191 121.4-107.5-104.6 13.9 -0.1 49.8 39.3 241 240 A Q T < 5S+ 0 0 74 -3,-2.1 -42,-2.8 -43,-0.1 -3,-0.2 0.827 85.0 126.1 63.1 33.9 -0.4 48.8 43.0 242 241 A K < + 0 0 46 -5,-3.4 -18,-0.3 -44,-0.2 -4,-0.3 0.042 21.3 134.7-109.9 23.7 -2.4 45.7 42.1 243 242 A G - 0 0 2 -6,-0.3 -44,-0.1 -46,-0.3 -20,-0.1 -0.556 51.1-142.0 -68.4 140.6 -0.3 43.1 43.8 244 243 A L S S+ 0 0 1 -22,-0.5 2,-0.2 -2,-0.2 -1,-0.1 0.961 75.3 37.6 -74.0 -55.8 -2.8 40.8 45.6 245 244 A I S >> S- 0 0 8 -23,-0.1 4,-1.8 1,-0.1 3,-1.2 -0.606 87.4-110.5 -98.1 162.1 -1.0 40.0 48.9 246 245 A Q H 3> S+ 0 0 16 -66,-0.4 4,-2.3 1,-0.3 5,-0.2 0.912 116.9 57.6 -53.2 -47.2 1.1 42.3 51.0 247 246 A S H 34 S+ 0 0 14 -105,-1.4 4,-0.4 1,-0.2 -1,-0.3 0.736 106.7 50.6 -58.7 -24.2 4.3 40.4 50.2 248 247 A D H X4 S+ 0 0 2 -3,-1.2 3,-1.4 2,-0.2 4,-0.4 0.962 112.3 42.8 -76.5 -56.9 3.7 41.0 46.5 249 248 A Q H >X S+ 0 0 0 -4,-1.8 4,-2.7 1,-0.3 3,-1.3 0.784 102.8 69.0 -61.1 -27.8 3.1 44.8 46.7 250 249 A E H 3X S+ 0 0 33 -4,-2.3 4,-1.9 1,-0.3 -1,-0.3 0.800 86.5 68.1 -60.3 -30.8 6.0 45.2 49.1 251 250 A L H <4 S+ 0 0 0 -3,-1.4 -1,-0.3 -4,-0.4 13,-0.2 0.803 117.6 22.5 -60.7 -27.9 8.4 44.3 46.3 252 251 A F H <4 S+ 0 0 29 -3,-1.3 -2,-0.2 -4,-0.4 -1,-0.2 0.707 132.0 36.9-110.8 -26.9 7.5 47.6 44.6 253 252 A S H < S+ 0 0 39 -4,-2.7 -3,-0.2 3,-0.0 -2,-0.2 0.546 81.6 113.7-108.1 -8.1 6.2 49.8 47.4 254 253 A S S >< S- 0 0 11 -4,-1.9 3,-2.0 -5,-0.3 7,-0.1 -0.289 70.4-127.4 -66.0 147.3 8.3 49.1 50.5 255 254 A P T 3 S+ 0 0 130 0, 0.0 3,-0.3 0, 0.0 -1,-0.1 0.722 115.8 53.2 -65.4 -17.0 10.6 51.8 51.9 256 255 A N T > S+ 0 0 69 1,-0.2 3,-0.6 -6,-0.1 4,-0.2 0.246 81.4 97.7 -99.5 11.1 13.3 49.1 51.6 257 256 A A T <> + 0 0 0 -3,-2.0 4,-2.9 1,-0.2 -1,-0.2 0.199 38.8 115.1 -87.3 17.2 12.5 48.4 47.9 258 257 A T T 34 S+ 0 0 121 -3,-0.3 -1,-0.2 1,-0.2 -2,-0.1 0.885 87.7 36.6 -53.9 -37.2 15.3 50.5 46.5 259 258 A D T <4 S+ 0 0 59 -3,-0.6 4,-0.5 2,-0.1 -1,-0.2 0.754 119.2 47.2 -88.4 -24.1 16.9 47.3 45.1 260 259 A T T > S+ 0 0 0 -4,-0.2 4,-2.6 2,-0.2 3,-0.3 0.799 96.8 70.1 -88.1 -29.3 13.7 45.4 44.2 261 260 A I H X S+ 0 0 53 -4,-2.9 4,-2.4 1,-0.2 5,-0.2 0.916 99.4 48.6 -53.8 -48.3 11.9 48.3 42.3 262 261 A P H > S+ 0 0 70 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.848 111.6 50.6 -63.9 -30.9 14.3 48.2 39.4 263 262 A L H > S+ 0 0 41 -4,-0.5 4,-2.4 -3,-0.3 5,-0.2 0.910 108.8 51.0 -71.1 -42.9 14.0 44.4 39.2 264 263 A V H X S+ 0 0 0 -4,-2.6 4,-1.9 -13,-0.2 -1,-0.2 0.938 113.4 45.4 -58.8 -47.8 10.2 44.6 39.1 265 264 A R H X S+ 0 0 116 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.906 111.0 53.2 -62.7 -42.8 10.3 47.2 36.3 266 265 A S H X S+ 0 0 43 -4,-2.1 4,-1.6 1,-0.2 8,-0.2 0.898 112.2 44.3 -59.4 -42.8 12.8 45.1 34.4 267 266 A F H < S+ 0 0 5 -4,-2.4 7,-0.3 1,-0.2 -1,-0.2 0.804 112.8 52.1 -73.0 -30.3 10.6 42.0 34.5 268 267 A A H < S+ 0 0 13 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.830 110.9 48.5 -74.9 -30.6 7.6 44.1 33.7 269 268 A N H < S+ 0 0 126 -4,-2.2 2,-0.4 1,-0.2 -2,-0.2 0.828 119.5 30.7 -78.9 -32.7 9.3 45.5 30.6 270 269 A S X - 0 0 35 -4,-1.6 4,-2.1 -5,-0.2 -1,-0.2 -0.966 51.4-163.4-137.3 122.9 10.6 42.3 29.1 271 270 A T H > S+ 0 0 59 -2,-0.4 4,-3.2 1,-0.2 5,-0.2 0.868 99.2 55.8 -64.3 -36.7 9.3 38.8 29.3 272 271 A Q H > S+ 0 0 142 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.919 106.2 49.2 -62.8 -44.7 12.7 37.5 28.2 273 272 A T H > S+ 0 0 52 -7,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.931 115.3 44.6 -61.6 -44.8 14.4 39.3 31.1 274 273 A F H X S+ 0 0 0 -4,-2.1 4,-2.9 -7,-0.3 5,-0.2 0.955 112.4 50.0 -64.0 -52.5 11.8 37.8 33.6 275 274 A F H X S+ 0 0 37 -4,-3.2 4,-2.2 1,-0.2 5,-0.2 0.896 111.5 49.1 -54.8 -43.3 11.9 34.3 32.1 276 275 A N H X S+ 0 0 101 -4,-2.4 4,-2.1 -5,-0.2 -1,-0.2 0.920 113.8 45.8 -63.3 -43.5 15.7 34.2 32.3 277 276 A A H X S+ 0 0 21 -4,-1.9 4,-2.6 -5,-0.2 -2,-0.2 0.863 110.9 53.7 -66.9 -37.0 15.8 35.4 35.9 278 277 A F H X S+ 0 0 1 -4,-2.9 4,-2.8 2,-0.2 -2,-0.2 0.912 110.1 46.1 -65.0 -44.2 13.0 33.0 36.8 279 278 A V H X S+ 0 0 27 -4,-2.2 4,-2.4 -5,-0.2 5,-0.2 0.936 114.0 48.8 -64.2 -45.3 14.9 30.0 35.5 280 279 A E H X S+ 0 0 110 -4,-2.1 4,-1.4 1,-0.2 -2,-0.2 0.908 115.6 43.6 -60.9 -43.1 18.1 31.1 37.1 281 280 A A H X S+ 0 0 2 -4,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.875 111.5 54.6 -70.2 -38.5 16.3 31.6 40.5 282 281 A M H X S+ 0 0 7 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.899 108.7 47.8 -62.2 -41.7 14.4 28.4 40.1 283 282 A D H < S+ 0 0 46 -4,-2.4 4,-0.4 2,-0.2 -1,-0.2 0.844 111.0 51.5 -69.7 -32.1 17.6 26.4 39.7 284 283 A R H >< S+ 0 0 64 -4,-1.4 3,-1.0 -5,-0.2 -2,-0.2 0.925 111.7 46.5 -68.7 -43.7 19.2 28.1 42.7 285 284 A M H >< S+ 0 0 4 -4,-2.6 3,-1.5 1,-0.3 -235,-0.2 0.887 110.0 54.2 -65.1 -38.2 16.2 27.3 44.8 286 285 A G T 3< S+ 0 0 2 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.607 101.9 60.8 -71.6 -8.5 16.3 23.7 43.5 287 286 A N T < S+ 0 0 91 -3,-1.0 2,-0.5 -4,-0.4 -1,-0.3 0.274 74.0 129.7-100.0 9.6 19.9 23.6 44.6 288 287 A I S < S- 0 0 14 -3,-1.5 -238,-1.3 1,-0.2 -131,-0.1 -0.558 88.5 -43.7 -74.0 121.1 19.1 24.2 48.3 289 288 A T S S- 0 0 90 -2,-0.5 -1,-0.2 -240,-0.2 2,-0.1 0.718 80.6-173.3 23.6 60.2 20.8 21.6 50.6 290 289 A P - 0 0 33 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.392 24.9-125.2 -77.4 152.3 20.0 18.5 48.5 291 290 A L B +B 125 0B 43 -166,-0.5 -166,-1.7 -241,-0.3 2,-0.3 -0.810 43.2 169.5 -91.7 136.8 20.7 15.0 49.6 292 291 A T > + 0 0 25 -2,-0.4 3,-2.3 -168,-0.2 2,-0.5 -0.860 36.8 17.1-141.3 176.0 22.8 13.2 47.0 293 292 A G T 3 S- 0 0 26 -170,-0.3 -2,-0.1 1,-0.3 -170,-0.0 -0.471 131.0 -19.1 65.5-112.5 24.8 10.1 46.3 294 293 A T T 3 S+ 0 0 132 -2,-0.5 -1,-0.3 -169,-0.0 2,-0.2 0.256 105.9 119.2-110.9 6.7 23.8 7.5 48.9 295 294 A Q S < S- 0 0 100 -3,-2.3 -169,-0.1 2,-0.1 -4,-0.1 -0.526 81.2 -15.0 -74.4 138.6 22.3 10.0 51.3 296 295 A G S S- 0 0 23 -2,-0.2 2,-0.3 -171,-0.1 -169,-0.2 -0.258 92.4 -94.1 64.3-154.7 18.6 9.5 52.0 297 296 A Q B -C 126 0C 39 -171,-1.7 -171,-2.8 -170,-0.0 2,-0.8 -0.830 21.9 -93.9-148.2-175.5 16.8 7.2 49.7 298 297 A I - 0 0 42 -2,-0.3 -201,-0.1 -173,-0.2 -202,-0.1 -0.857 48.1-143.4-108.4 90.9 14.7 6.7 46.6 299 298 A R - 0 0 0 -2,-0.8 3,-0.2 1,-0.1 6,-0.1 -0.305 13.7-163.0 -57.5 132.1 11.2 6.7 48.1 300 299 A L S S+ 0 0 80 1,-0.3 2,-0.5 4,-0.2 -1,-0.1 0.814 88.1 32.0 -85.1 -34.1 8.9 4.3 46.4 301 300 A N B > S-E 304 0E 71 3,-0.5 3,-1.9 1,-0.1 -1,-0.3 -0.987 78.7-148.5-124.5 112.3 5.8 5.9 47.9 302 301 A c T 3 S+ 0 0 1 -2,-0.5 -1,-0.1 1,-0.3 -3,-0.1 0.680 93.8 62.1 -57.4 -20.1 6.3 9.7 48.4 303 302 A R T 3 S+ 0 0 58 -247,-0.2 -246,-2.5 1,-0.1 2,-0.3 0.642 109.5 34.7 -81.9 -15.9 4.0 9.7 51.4 304 303 A V B < S-E 301 0E 65 -3,-1.9 -3,-0.5 -248,-0.2 -4,-0.2 -0.985 81.5-108.7-142.7 152.1 6.2 7.3 53.5 305 304 A V - 0 0 36 -2,-0.3 -177,-0.1 1,-0.1 -2,-0.0 -0.452 52.5 -93.3 -72.8 148.8 9.8 6.4 54.1 306 305 A N 0 0 51 -2,-0.1 -1,-0.1 1,-0.1 -7,-0.1 -0.301 360.0 360.0 -63.7 147.8 10.9 3.0 52.6 307 306 A S 0 0 169 -3,-0.1 -1,-0.1 0, 0.0 -2,-0.0 -0.136 360.0 360.0-134.7 360.0 10.7 0.0 55.0