==== 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 22-MAY-01 1H5H . 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) . 13082.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 200 65.4 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 . 12 3.9 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 . 115 37.6 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 0 221 0, 0.0 2,-0.2 0, 0.0 120,-0.1 0.000 360.0 360.0 360.0 130.5 26.9 15.6 16.8 2 2 A L - 0 0 27 118,-0.1 120,-0.2 284,-0.0 289,-0.0 -0.517 360.0-169.3 -76.0 144.6 23.4 15.7 18.2 3 3 A T B > -A 121 0A 51 118,-2.5 3,-1.5 -2,-0.2 118,-1.5 -0.998 30.6-134.0-138.6 141.5 23.2 16.2 22.0 4 4 A P T 3 S+ 0 0 45 0, 0.0 3,-0.4 0, 0.0 115,-0.1 0.739 105.7 57.6 -64.4 -21.1 20.4 16.0 24.6 5 5 A T T > + 0 0 75 1,-0.2 3,-2.3 116,-0.1 4,-0.3 0.372 68.1 116.9 -91.9 4.8 21.4 19.3 26.1 6 6 A F T < S+ 0 0 101 -3,-1.5 4,-0.3 1,-0.3 3,-0.3 0.762 85.5 31.2 -42.8 -39.6 21.1 21.4 23.0 7 7 A Y T 3> S+ 0 0 3 -3,-0.4 4,-2.4 1,-0.2 -1,-0.3 0.265 83.7 109.6-107.6 12.6 18.3 23.6 24.4 8 8 A D T <4 S+ 0 0 56 -3,-2.3 -1,-0.2 1,-0.2 -2,-0.1 0.727 94.4 25.7 -61.5 -21.7 19.2 23.6 28.1 9 9 A N T 4 S+ 0 0 167 -4,-0.3 -1,-0.2 -3,-0.3 -2,-0.1 0.768 127.7 42.3-107.0 -40.6 20.3 27.2 27.9 10 10 A S T 4 S+ 0 0 60 -4,-0.3 -2,-0.2 1,-0.2 -3,-0.1 0.732 137.9 0.8 -80.8 -25.8 18.3 28.6 25.0 11 11 A a >< + 0 0 0 -4,-2.4 3,-1.9 83,-0.1 4,-0.3 -0.277 64.1 165.9-162.7 66.2 15.0 27.0 25.8 12 12 A P T 3 S+ 0 0 75 0, 0.0 3,-0.4 0, 0.0 4,-0.3 0.753 79.5 56.7 -57.4 -26.0 15.0 24.8 28.9 13 13 A N T 3> S+ 0 0 100 1,-0.2 4,-2.1 2,-0.1 5,-0.2 0.367 74.6 102.5 -90.1 6.0 11.2 24.7 29.0 14 14 A V H <> S+ 0 0 8 -3,-1.9 4,-2.2 1,-0.2 5,-0.2 0.924 80.6 48.6 -55.5 -49.4 10.8 23.2 25.5 15 15 A S H > S+ 0 0 38 -3,-0.4 4,-2.5 -4,-0.3 -1,-0.2 0.890 112.3 48.8 -59.8 -40.7 10.1 19.6 26.7 16 16 A N H > S+ 0 0 92 -4,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.847 109.9 51.4 -68.6 -34.4 7.5 20.8 29.2 17 17 A I H X S+ 0 0 30 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.902 111.7 47.5 -68.3 -40.9 5.7 22.9 26.7 18 18 A V H X S+ 0 0 0 -4,-2.2 4,-2.0 -5,-0.2 -2,-0.2 0.940 113.0 48.5 -64.2 -47.6 5.6 20.0 24.3 19 19 A R H X S+ 0 0 107 -4,-2.5 4,-2.7 1,-0.2 5,-0.2 0.932 109.3 52.4 -58.7 -48.9 4.3 17.7 27.0 20 20 A D H X S+ 0 0 97 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.887 108.1 52.0 -55.6 -41.7 1.6 20.2 28.1 21 21 A T H X S+ 0 0 15 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.930 112.1 44.7 -61.8 -46.5 0.3 20.5 24.6 22 22 A I H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.889 110.1 54.7 -66.3 -39.9 -0.0 16.7 24.2 23 23 A V H X S+ 0 0 50 -4,-2.7 4,-0.7 1,-0.2 -1,-0.2 0.922 110.7 46.9 -58.6 -44.3 -1.6 16.3 27.6 24 24 A N H >X S+ 0 0 73 -4,-2.1 3,-0.7 -5,-0.2 4,-0.5 0.901 113.5 47.5 -63.7 -44.4 -4.2 18.9 26.6 25 25 A E H >X S+ 0 0 28 -4,-2.1 4,-2.5 1,-0.2 3,-1.0 0.842 100.1 66.4 -68.0 -35.4 -4.9 17.3 23.2 26 26 A L H 3< S+ 0 0 48 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.759 90.8 66.1 -59.1 -25.4 -5.2 13.7 24.6 27 27 A R H << S+ 0 0 174 -3,-0.7 -1,-0.3 -4,-0.7 -2,-0.2 0.882 115.9 25.4 -65.4 -37.3 -8.4 14.8 26.4 28 28 A S H << S+ 0 0 91 -3,-1.0 -2,-0.2 -4,-0.5 -1,-0.2 0.687 135.6 32.7 -98.3 -22.9 -10.2 15.3 23.2 29 29 A D >< - 0 0 25 -4,-2.5 3,-1.6 1,-0.1 4,-0.3 -0.779 58.1-177.7-139.1 92.2 -8.2 12.9 21.0 30 30 A P T 3 S+ 0 0 90 0, 0.0 4,-0.2 0, 0.0 3,-0.2 0.514 84.2 62.5 -65.7 -4.7 -6.8 9.8 22.8 31 31 A R T 3> S+ 0 0 58 1,-0.1 4,-2.3 2,-0.1 3,-0.4 0.603 75.3 91.7 -96.4 -14.2 -5.1 8.8 19.5 32 32 A I H <> S+ 0 0 1 -3,-1.6 4,-2.5 1,-0.2 5,-0.2 0.788 79.7 56.6 -54.4 -35.8 -2.8 11.8 19.2 33 33 A A H > S+ 0 0 5 -4,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.944 111.5 43.8 -63.1 -46.0 0.1 10.3 21.1 34 34 A A H > S+ 0 0 14 -3,-0.4 4,-2.2 -4,-0.2 -2,-0.2 0.932 113.1 52.3 -62.8 -46.0 0.2 7.4 18.6 35 35 A S H X S+ 0 0 10 -4,-2.3 4,-1.5 1,-0.2 40,-0.3 0.882 109.3 49.3 -58.8 -41.0 -0.3 9.8 15.7 36 36 A I H X S+ 0 0 0 -4,-2.5 4,-1.7 2,-0.2 -1,-0.2 0.901 107.8 52.5 -68.6 -40.6 2.6 12.0 16.7 37 37 A L H X S+ 0 0 13 -4,-2.0 4,-1.9 1,-0.2 3,-0.2 0.941 109.6 51.1 -59.9 -43.6 5.0 9.1 17.1 38 38 A R H X S+ 0 0 81 -4,-2.2 4,-2.8 1,-0.2 -1,-0.2 0.837 103.9 57.3 -63.1 -33.9 4.2 8.0 13.6 39 39 A L H X S+ 0 0 2 -4,-1.5 4,-1.2 1,-0.2 -1,-0.2 0.902 106.6 49.3 -63.5 -40.0 4.8 11.5 12.2 40 40 A H H X S+ 0 0 2 -4,-1.7 4,-2.8 -3,-0.2 -2,-0.2 0.901 110.6 51.1 -64.3 -42.0 8.3 11.4 13.6 41 41 A F H X S+ 0 0 43 -4,-1.9 4,-1.8 1,-0.2 -2,-0.2 0.959 112.3 44.9 -60.1 -52.8 8.8 7.9 12.0 42 42 A H H < S+ 0 0 6 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.695 112.8 53.4 -67.8 -16.5 7.6 9.1 8.6 43 43 A D H >< S+ 0 0 0 -4,-1.2 3,-1.5 -5,-0.2 7,-0.3 0.948 110.1 45.9 -78.8 -51.3 9.8 12.2 9.0 44 44 A b H 3X S+ 0 0 0 -4,-2.8 4,-0.7 1,-0.3 -2,-0.2 0.759 105.5 59.4 -61.2 -31.3 12.9 10.3 9.7 45 45 A F T 3< S+ 0 0 2 -4,-1.8 2,-0.5 1,-0.2 -1,-0.3 0.466 99.6 64.0 -80.3 0.1 12.5 7.7 6.9 46 46 A V T <4 S- 0 0 0 -3,-1.5 4,-0.3 2,-0.3 6,-0.2 -0.871 134.4 -34.3-129.8 99.6 12.5 10.4 4.2 47 47 A N T 4 S- 0 0 65 -2,-0.5 -2,-0.1 86,-0.1 -3,-0.1 0.660 113.5 -74.2 63.7 19.7 15.7 12.4 4.0 48 48 A G S < S- 0 0 1 -4,-0.7 2,-1.8 -5,-0.1 4,-0.4 -0.171 78.6 -40.4 87.9 174.7 16.2 12.0 7.7 49 49 A b S S+ 0 0 0 238,-1.2 241,-0.3 235,-0.2 -5,-0.2 -0.596 85.9 128.3 -81.0 87.6 14.4 13.7 10.6 50 50 A D S S- 0 0 0 -2,-1.8 76,-2.7 -4,-0.3 48,-0.2 0.078 79.7-109.2-128.9 17.7 14.3 17.2 9.0 51 51 A A S > S+ 0 0 0 74,-0.2 3,-1.2 47,-0.2 4,-0.5 0.686 74.8 138.9 58.6 20.1 10.6 18.1 9.4 52 52 A S G > + 0 0 0 -4,-0.4 3,-1.1 1,-0.3 12,-0.4 0.847 63.9 61.9 -62.3 -31.2 10.3 17.7 5.7 53 53 A I G 3 S+ 0 0 0 1,-0.2 -1,-0.3 -7,-0.1 12,-0.1 0.726 94.8 61.8 -67.2 -22.0 7.0 15.9 6.2 54 54 A L G < S+ 0 0 5 -3,-1.2 -1,-0.2 10,-0.1 -2,-0.2 0.667 80.8 104.8 -80.4 -15.5 5.5 19.0 7.8 55 55 A L < - 0 0 1 -3,-1.1 10,-0.4 -4,-0.5 9,-0.4 -0.396 62.1-141.8 -69.5 139.5 5.8 21.1 4.7 56 56 A D - 0 0 50 246,-2.7 73,-0.1 1,-0.2 -1,-0.1 -0.449 38.9 -64.6 -92.9 171.8 2.7 21.9 2.7 57 57 A N + 0 0 83 -2,-0.1 2,-0.3 6,-0.1 5,-0.2 -0.141 49.5 177.7 -56.0 146.2 2.5 22.1 -1.1 58 58 A T - 0 0 51 3,-1.9 3,-0.1 -3,-0.1 5,-0.1 -0.897 44.2-107.1-140.0 165.8 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,-0.1 0.640 119.1 48.5 -74.5 -9.0 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 0.729 120.7 19.9 -99.6 -28.7 8.0 23.9 -7.0 61 61 A F S S- 0 0 33 -3,-0.1 -3,-1.9 69,-0.0 -1,-0.3 -1.000 72.6-123.1-144.8 145.9 7.7 20.8 -4.8 62 62 A R - 0 0 113 -2,-0.3 69,-0.5 -5,-0.2 2,-0.2 -0.517 34.0-106.5 -84.7 154.5 4.8 18.5 -3.7 63 63 A T > - 0 0 5 -2,-0.2 3,-1.4 1,-0.1 -7,-0.1 -0.519 13.0-133.9 -80.2 146.5 4.0 17.8 -0.1 64 64 A E G > S+ 0 0 0 -12,-0.4 3,-1.9 -9,-0.4 6,-0.2 0.606 97.8 84.2 -72.0 -10.8 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 0.687 85.8 55.2 -66.3 -16.3 1.4 14.5 2.8 66 66 A D G < S+ 0 0 97 -3,-1.4 -1,-0.3 5,-0.1 -2,-0.1 0.205 81.6 119.9-100.5 14.5 0.2 13.1 -0.5 67 67 A A S X> S- 0 0 0 -3,-1.9 4,-3.2 1,-0.1 3,-1.3 -0.408 79.6-111.3 -73.8 155.7 2.5 10.1 -0.3 68 68 A F T 34 S+ 0 0 176 1,-0.3 -1,-0.1 2,-0.2 67,-0.1 0.836 119.5 49.0 -58.5 -32.3 0.8 6.7 -0.4 69 69 A G T 34 S+ 0 0 20 1,-0.1 -1,-0.3 -5,-0.1 -4,-0.1 0.592 121.8 32.7 -84.0 -10.3 1.9 6.1 3.2 70 70 A N T X> S+ 0 0 3 -3,-1.3 4,-2.2 -6,-0.2 3,-1.9 0.735 87.0 103.8-112.9 -36.8 0.7 9.5 4.4 71 71 A A T 3< S- 0 0 41 -4,-3.2 -5,-0.1 1,-0.3 -6,-0.0 -0.270 104.0 -6.3 -55.8 129.1 -2.4 10.4 2.4 72 72 A N T 34 S+ 0 0 120 -7,-0.2 -1,-0.3 1,-0.1 3,-0.1 0.837 136.5 62.1 52.8 36.7 -5.6 9.9 4.4 73 73 A S T <4 S+ 0 0 19 -3,-1.9 -2,-0.2 1,-0.4 -1,-0.1 0.351 75.3 78.6-148.2 -63.1 -3.5 8.4 7.2 74 74 A A < + 0 0 20 -4,-2.2 -1,-0.4 -9,-0.2 2,-0.3 -0.312 61.5 164.7 -59.2 142.2 -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 -0.962 33.4 72.0-155.5 169.8 -2.5 13.1 11.2 76 76 A G >> + 0 0 9 -2,-0.3 4,-1.5 -37,-0.0 3,-0.8 0.428 51.5 133.7 99.6 2.0 -1.9 15.5 14.1 77 77 A F H 3> S+ 0 0 24 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.861 70.7 54.4 -53.5 -41.4 -0.4 18.3 12.0 78 78 A P H 3> S+ 0 0 73 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.864 105.5 54.7 -62.8 -32.9 -2.5 21.1 13.7 79 79 A V H <> S+ 0 0 7 -3,-0.8 4,-2.3 2,-0.2 5,-0.2 0.874 106.3 50.4 -66.8 -37.9 -1.3 19.9 17.1 80 80 A I H X S+ 0 0 1 -4,-1.5 4,-2.4 1,-0.2 -1,-0.2 0.904 108.5 53.0 -66.9 -38.7 2.3 20.3 16.0 81 81 A D H X S+ 0 0 42 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.913 108.2 52.3 -60.2 -42.5 1.5 23.8 14.8 82 82 A R H X S+ 0 0 107 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.948 111.9 42.1 -60.5 -52.7 0.1 24.5 18.3 83 83 A M H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 5,-0.2 0.874 112.5 55.8 -65.5 -33.9 3.1 23.4 20.2 84 84 A K H X S+ 0 0 5 -4,-2.4 4,-2.7 2,-0.2 -1,-0.2 0.942 108.4 47.3 -61.8 -46.4 5.4 25.1 17.7 85 85 A A H X S+ 0 0 60 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.904 112.7 49.5 -60.1 -43.0 3.6 28.4 18.3 86 86 A A H X S+ 0 0 41 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.862 113.0 46.3 -65.5 -37.3 3.8 28.0 22.0 87 87 A V H X S+ 0 0 0 -4,-2.4 4,-3.3 2,-0.2 -2,-0.2 0.869 109.6 54.4 -73.1 -36.4 7.5 27.2 21.9 88 88 A E H < S+ 0 0 31 -4,-2.7 -2,-0.2 2,-0.2 -1,-0.2 0.851 108.3 50.4 -64.2 -34.0 8.1 30.2 19.5 89 89 A S H < S+ 0 0 104 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.916 116.6 40.1 -69.1 -43.1 6.4 32.4 22.1 90 90 A A H < S+ 0 0 57 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.843 136.8 14.5 -74.3 -35.8 8.6 31.0 24.9 91 91 A a S >X S- 0 0 15 -4,-3.3 3,-1.3 -5,-0.1 4,-0.6 -0.645 83.8-143.1-144.6 83.1 11.8 30.9 22.8 92 92 A P T 34 S- 0 0 66 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 -0.131 77.3 -10.8 -50.2 132.9 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 0.769 109.1 103.3 45.9 41.3 13.5 31.4 16.6 94 94 A T T <4 + 0 0 33 -3,-1.3 2,-0.6 1,-0.2 -1,-0.1 0.811 58.6 59.7-114.5 -51.1 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 -0.769 73.3-136.5 -93.2 120.9 13.7 25.2 18.4 96 96 A S > - 0 0 0 -2,-0.6 4,-2.5 27,-0.3 5,-0.1 -0.288 18.0-122.4 -68.5 155.8 13.6 23.6 14.9 97 97 A c H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.860 113.5 58.6 -66.6 -33.6 10.5 21.8 13.8 98 98 A A H > S+ 0 0 0 -48,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.920 111.0 40.1 -61.4 -44.8 12.6 18.6 13.3 99 99 A D H > S+ 0 0 0 24,-0.4 4,-2.8 2,-0.2 5,-0.2 0.892 112.6 56.3 -70.4 -41.3 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 0.926 108.5 46.9 -56.5 -46.7 10.2 19.7 18.1 101 101 A L H X S+ 0 0 0 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.840 110.8 53.1 -65.7 -33.5 8.7 16.6 16.4 102 102 A T H X S+ 0 0 4 -4,-1.3 4,-2.1 -5,-0.2 -2,-0.2 0.947 111.8 44.1 -66.5 -48.3 11.4 14.4 17.9 103 103 A I H X S+ 0 0 4 -4,-2.8 4,-3.2 1,-0.2 5,-0.3 0.903 111.8 54.9 -62.0 -41.2 10.6 15.6 21.4 104 104 A A H X S+ 0 0 0 -4,-2.6 4,-2.2 -5,-0.2 -1,-0.2 0.887 107.1 50.4 -59.5 -40.3 6.9 15.3 20.7 105 105 A A H X S+ 0 0 0 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.931 113.3 44.6 -65.0 -44.7 7.4 11.7 19.7 106 106 A Q H X S+ 0 0 5 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.931 114.2 48.6 -65.7 -45.5 9.3 10.9 22.9 107 107 A Q H X S+ 0 0 19 -4,-3.2 4,-2.8 1,-0.2 -1,-0.2 0.863 109.8 53.7 -62.8 -35.4 6.9 12.7 25.1 108 108 A S H X S+ 0 0 0 -4,-2.2 4,-1.7 -5,-0.3 -1,-0.2 0.928 108.9 48.2 -64.2 -45.7 4.0 10.9 23.4 109 109 A V H <>S+ 0 0 0 -4,-2.1 5,-2.8 1,-0.2 120,-0.2 0.943 114.6 45.6 -60.2 -47.7 5.6 7.6 24.1 110 110 A T H ><5S+ 0 0 37 -4,-2.5 3,-2.0 1,-0.2 -2,-0.2 0.915 110.3 53.0 -62.8 -44.3 6.2 8.5 27.8 111 111 A L H 3<5S+ 0 0 49 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.829 105.0 56.2 -60.9 -31.6 2.6 9.9 28.2 112 112 A A T 3<5S- 0 0 16 -4,-1.7 117,-2.8 -5,-0.2 -1,-0.3 0.368 133.2 -91.3 -81.9 5.4 1.2 6.7 26.9 113 113 A G T < 5S+ 0 0 49 -3,-2.0 -3,-0.2 115,-0.2 -2,-0.2 0.523 87.0 126.9 99.1 7.4 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 -0.914 64.5-170.5-116.5 105.4 -2.9 -3.9 19.9 223 223 A L S S+ 0 0 62 -2,-0.6 -1,-0.1 18,-0.3 -2,-0.1 0.719 86.2 53.8 -67.1 -19.7 -6.0 -5.9 21.0 224 224 A R S S+ 0 0 95 1,-0.2 -1,-0.2 2,-0.1 -53,-0.0 0.971 130.8 2.7 -78.9 -58.2 -4.6 -6.2 24.5 225 225 A T > - 0 0 27 -54,-0.2 3,-0.9 3,-0.1 -1,-0.2 -0.698 69.5-175.0-133.2 81.3 -3.9 -2.6 25.4 226 226 A P T 3 S+ 0 0 39 0, 0.0 -53,-1.0 0, 0.0 -5,-0.2 0.698 84.2 22.4 -45.3 -34.7 -5.1 -0.3 22.5 227 227 A T T 3 S+ 0 0 85 -55,-0.2 2,-0.5 -7,-0.1 -55,-0.1 0.389 101.2 94.9-121.4 3.2 -3.8 3.0 23.9 228 228 A I S < S- 0 0 81 -3,-0.9 2,-1.0 -57,-0.3 -115,-0.2 -0.837 70.2-132.0-100.8 131.1 -1.1 2.0 26.4 229 229 A F + 0 0 1 -117,-2.8 2,-0.2 -2,-0.5 -57,-0.1 -0.703 59.0 117.6 -83.3 104.2 2.6 1.9 25.3 230 230 A D S > S- 0 0 23 -2,-1.0 3,-0.6 -62,-0.2 -116,-0.1 -0.852 77.8 -86.2-151.1-175.1 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,-0.9 0.338 90.2 104.8 -86.5 9.0 5.2 -4.8 25.3 232 232 A K H 3> + 0 0 81 1,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.796 66.2 73.3 -59.5 -28.6 1.8 -6.4 24.7 233 233 A Y H <> S+ 0 0 2 -3,-0.6 4,-1.4 1,-0.2 -1,-0.3 0.886 99.0 45.9 -51.5 -41.3 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 0.811 105.9 56.9 -75.0 -31.6 4.9 -8.8 21.1 235 235 A V H X S+ 0 0 28 -4,-0.9 4,-0.8 1,-0.2 -1,-0.2 0.904 106.1 54.1 -64.9 -37.4 2.8 -11.1 23.2 236 236 A N H ><>S+ 0 0 2 -4,-2.2 5,-3.0 1,-0.2 3,-1.2 0.927 105.0 52.2 -60.4 -47.1 0.2 -10.8 20.4 237 237 A L H ><5S+ 0 0 0 -4,-1.4 3,-2.1 4,-0.3 5,-0.2 0.893 102.8 58.5 -57.4 -41.4 2.7 -11.8 17.7 238 238 A E H 3<5S+ 0 0 57 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.743 109.4 45.4 -60.6 -23.7 3.6 -15.0 19.7 239 239 A E T <<5S- 0 0 74 -3,-1.2 -1,-0.3 -4,-0.8 -2,-0.2 0.170 121.5-106.9-104.1 14.8 -0.1 -15.9 19.5 240 240 A Q T < 5S+ 0 0 76 -3,-2.1 -42,-3.1 -43,-0.1 -3,-0.2 0.824 86.0 124.5 62.6 34.1 -0.4 -15.1 15.8 241 241 A K < + 0 0 47 -5,-3.0 -18,-0.3 -44,-0.2 -4,-0.3 0.089 21.7 133.9-111.2 21.3 -2.4 -12.0 16.7 242 242 A G - 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0 0 37 -4,-1.2 4,-2.3 -5,-0.2 -1,-0.2 -0.919 50.6-163.9-145.2 118.6 10.5 -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 0.906 99.7 54.3 -59.7 -42.4 9.2 -4.9 29.5 271 271 A Q H > S+ 0 0 140 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.911 107.6 49.0 -58.4 -45.7 12.6 -3.7 30.5 272 272 A T H > S+ 0 0 58 -7,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.923 114.9 45.1 -62.1 -44.1 14.3 -5.4 27.6 273 273 A F H X S+ 0 0 0 -4,-2.3 4,-2.9 -7,-0.3 -2,-0.2 0.960 112.9 49.4 -64.5 -51.6 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 0.890 111.7 48.9 -56.5 -41.8 11.9 -0.4 26.6 275 275 A N H X S+ 0 0 102 -4,-2.5 4,-2.2 -5,-0.2 -1,-0.2 0.937 114.1 45.7 -63.6 -45.4 15.7 -0.4 26.5 276 276 A A H X S+ 0 0 19 -4,-2.1 4,-2.7 -5,-0.2 -2,-0.2 0.851 111.2 53.5 -65.5 -36.3 15.7 -1.6 22.9 277 277 A F H X S+ 0 0 1 -4,-2.9 4,-3.0 2,-0.2 -1,-0.2 0.923 110.1 45.8 -65.9 -45.5 13.0 0.9 21.9 278 278 A V H X S+ 0 0 28 -4,-2.3 4,-2.5 2,-0.2 5,-0.2 0.930 114.3 49.4 -62.8 -43.9 14.9 3.9 23.3 279 279 A E H X S+ 0 0 112 -4,-2.2 4,-1.6 -5,-0.2 -2,-0.2 0.935 115.6 42.5 -60.8 -47.0 18.1 2.6 21.6 280 280 A A H X S+ 0 0 3 -4,-2.7 4,-2.8 1,-0.2 5,-0.2 0.886 111.9 55.1 -67.8 -39.8 16.4 2.1 18.3 281 281 A M H X S+ 0 0 8 -4,-3.0 4,-2.5 1,-0.2 -2,-0.2 0.908 109.0 46.8 -60.6 -43.2 14.4 5.4 18.6 282 282 A D H < S+ 0 0 40 -4,-2.5 4,-0.3 2,-0.2 -1,-0.2 0.850 111.5 52.0 -69.5 -31.3 17.6 7.4 19.1 283 283 A R H >< S+ 0 0 64 -4,-1.6 3,-1.2 -5,-0.2 -2,-0.2 0.940 111.8 45.4 -68.6 -44.6 19.2 5.6 16.1 284 284 A M H >< S+ 0 0 4 -4,-2.8 3,-1.6 1,-0.3 -235,-0.2 0.893 109.7 55.9 -64.2 -38.3 16.3 6.4 13.9 285 285 A G T 3< S+ 0 0 1 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.586 101.3 60.3 -69.9 -7.8 16.4 10.0 15.2 286 286 A N T < S+ 0 0 78 -3,-1.2 2,-0.5 -4,-0.3 -1,-0.3 0.229 73.1 129.4-102.4 11.6 20.0 10.1 14.1 287 287 A I S < S- 0 0 14 -3,-1.6 -238,-1.2 1,-0.2 -131,-0.1 -0.592 88.6 -43.8 -74.9 119.7 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 0.732 79.4-173.8 25.1 63.0 21.0 12.1 8.2 289 289 A P - 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0 0 42 -2,-0.3 -177,-0.1 1,-0.1 2,-0.0 -0.416 50.5 -95.9 -69.6 147.2 10.2 27.4 4.5 305 305 A N 0 0 52 1,-0.1 -1,-0.1 -2,-0.1 -7,-0.1 -0.374 360.0 360.0 -65.1 144.5 11.4 30.7 5.9 306 306 A S 0 0 174 -3,-0.1 -1,-0.1 -2,-0.0 -2,-0.0 0.686 360.0 360.0-123.9 360.0 11.4 33.6 3.4