==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 24-FEB-97 1AEG . COMPND 2 MOLECULE: CYTOCHROME C PEROXIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR R.A.MUSAH,G.M.JENSEN,M.M.FITZGERALD,D.E.MCREE,D.B.GOODIN . 291 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13031.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 183 62.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 15 5.2 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 . 2 0.7 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 . 9 3.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 14.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 105 36.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.4 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 4 0 0 0 3 1 0 0 2 1 0 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 3 1 0 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 4 A L 0 0 126 0, 0.0 2,-0.4 0, 0.0 269,-0.0 0.000 360.0 360.0 360.0 115.1 12.2 92.7 75.4 2 5 A V - 0 0 109 2,-0.0 2,-0.5 269,-0.0 269,-0.1 -0.874 360.0-170.7-110.2 136.7 9.7 90.2 73.9 3 6 A H - 0 0 27 -2,-0.4 269,-3.4 267,-0.4 2,-0.5 -0.923 7.1-163.1-127.3 105.3 8.6 90.6 70.3 4 7 A V B -a 272 0A 66 -2,-0.5 2,-0.3 267,-0.2 269,-0.2 -0.773 21.2-121.9 -99.7 126.6 5.8 88.3 69.3 5 8 A A - 0 0 13 267,-3.2 2,-0.5 -2,-0.5 122,-0.2 -0.538 27.5-170.0 -59.8 123.5 5.0 87.7 65.6 6 9 A S - 0 0 74 120,-2.5 120,-0.2 -2,-0.3 3,-0.1 -0.943 21.3-129.0-121.1 106.2 1.4 88.8 64.7 7 10 A V - 0 0 52 -2,-0.5 3,-0.2 118,-0.1 121,-0.0 -0.311 35.3-101.7 -57.1 130.0 0.1 87.7 61.2 8 11 A E > - 0 0 22 1,-0.2 3,-2.3 2,-0.1 -1,-0.1 -0.293 63.9 -72.4 -47.5 134.1 -1.3 90.7 59.3 9 12 A K T 3 S- 0 0 173 1,-0.3 -1,-0.2 89,-0.1 3,-0.1 0.022 105.9 -18.7 -54.0 119.1 -5.2 90.3 59.6 10 13 A G T 3 S+ 0 0 76 -3,-0.2 -1,-0.3 1,-0.2 2,-0.1 0.487 98.0 139.1 72.0 1.9 -6.6 87.5 57.6 11 14 A R < + 0 0 83 -3,-2.3 2,-0.2 3,-0.1 -1,-0.2 -0.426 23.2 170.2 -76.6 148.8 -3.6 87.3 55.3 12 15 A S >> - 0 0 48 -2,-0.1 4,-1.3 -3,-0.1 3,-1.1 -0.816 51.8 -62.0-139.2-171.4 -2.2 83.9 54.1 13 16 A Y H 3> S+ 0 0 67 1,-0.2 4,-2.5 -2,-0.2 5,-0.2 0.863 125.3 56.8 -43.5 -47.0 0.4 82.5 51.6 14 17 A E H 3> S+ 0 0 119 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.868 103.6 53.7 -62.2 -32.7 -1.4 83.8 48.5 15 18 A D H <> S+ 0 0 22 -3,-1.1 4,-1.6 2,-0.2 -1,-0.2 0.937 112.0 43.3 -66.7 -45.7 -1.3 87.4 49.7 16 19 A F H X S+ 0 0 0 -4,-1.3 4,-3.2 2,-0.2 -2,-0.2 0.869 108.6 57.8 -72.6 -34.0 2.5 87.4 50.3 17 20 A Q H X S+ 0 0 14 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.889 105.0 53.7 -64.4 -30.8 3.1 85.5 47.1 18 21 A K H X S+ 0 0 116 -4,-1.6 4,-2.0 -5,-0.2 -2,-0.2 0.920 109.6 46.0 -67.2 -41.6 1.4 88.5 45.4 19 22 A V H X S+ 0 0 0 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.960 112.2 52.0 -64.9 -46.7 3.8 90.9 47.2 20 23 A Y H X S+ 0 0 0 -4,-3.2 4,-3.0 1,-0.2 5,-0.3 0.952 110.1 48.5 -45.6 -58.7 6.8 88.7 46.2 21 24 A N H X S+ 0 0 23 -4,-2.7 4,-2.5 1,-0.2 5,-0.2 0.912 108.8 54.0 -57.1 -37.0 5.6 88.7 42.5 22 25 A A H X S+ 0 0 18 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.954 111.8 43.0 -61.5 -49.0 5.3 92.5 42.6 23 26 A I H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.956 116.1 49.6 -58.8 -49.5 8.9 93.0 43.8 24 27 A A H X S+ 0 0 1 -4,-3.0 4,-1.2 1,-0.2 -2,-0.2 0.843 109.6 50.8 -61.5 -35.7 10.2 90.4 41.4 25 28 A L H X S+ 0 0 75 -4,-2.5 4,-2.0 -5,-0.3 -1,-0.2 0.916 111.5 47.5 -70.0 -40.2 8.3 92.0 38.4 26 29 A K H X S+ 0 0 34 -4,-2.2 4,-3.0 -5,-0.2 -2,-0.2 0.869 106.0 58.8 -72.8 -29.5 9.8 95.4 39.3 27 30 A L H < S+ 0 0 26 -4,-2.4 12,-0.2 1,-0.2 -1,-0.2 0.869 110.4 44.2 -61.0 -35.8 13.3 93.8 39.6 28 31 A R H >< S+ 0 0 134 -4,-1.2 3,-0.5 -5,-0.2 -2,-0.2 0.884 116.7 46.4 -73.7 -40.4 13.0 92.7 36.0 29 32 A E H 3< S+ 0 0 133 -4,-2.0 2,-1.5 1,-0.2 3,-0.3 0.960 108.6 51.5 -70.6 -52.7 11.5 96.0 34.9 30 33 A D T >< S+ 0 0 32 -4,-3.0 3,-0.6 1,-0.2 9,-0.5 -0.286 70.1 139.5 -86.2 60.0 14.0 98.4 36.5 31 34 A D T < + 0 0 79 -2,-1.5 -1,-0.2 -3,-0.5 -2,-0.1 0.532 51.3 72.3 -78.0 -15.3 17.1 96.7 35.2 32 35 A E T 3> + 0 0 86 -3,-0.3 4,-2.0 4,-0.1 3,-0.3 0.725 66.7 122.4 -77.4 -22.3 19.2 99.8 34.3 33 36 A Y H <>>S+ 0 0 41 -3,-0.6 5,-2.7 1,-0.2 4,-1.0 -0.079 79.3 5.4 -45.6 133.3 20.0 100.7 37.9 34 37 A D H >45S- 0 0 40 1,-0.2 3,-1.3 2,-0.2 -1,-0.2 0.970 139.9 -46.7 53.2 57.0 23.7 100.9 38.9 35 38 A N H 345S- 0 0 151 -3,-0.3 -2,-0.2 1,-0.3 -1,-0.2 0.893 113.2 -48.4 46.3 55.3 25.0 100.3 35.4 36 39 A Y H 3<5S+ 0 0 152 -4,-2.0 -1,-0.3 1,-0.1 -2,-0.2 0.609 110.0 114.5 64.2 18.7 22.8 97.4 34.7 37 40 A I T <<5 - 0 0 20 -3,-1.3 3,-0.3 -4,-1.0 -3,-0.2 0.888 67.4-151.8 -71.8 -36.5 23.4 95.5 37.9 38 41 A G < - 0 0 8 -5,-2.7 4,-0.4 1,-0.2 -7,-0.2 -0.181 28.3 -65.3 85.6 175.5 19.8 96.1 38.8 39 42 A Y S > S+ 0 0 36 -9,-0.5 4,-1.6 -12,-0.2 -1,-0.2 0.577 102.8 92.9 -77.1 -10.8 18.2 96.4 42.3 40 43 A G H > S+ 0 0 4 -3,-0.3 4,-2.0 2,-0.2 3,-0.4 0.937 84.8 47.3 -53.3 -56.0 18.7 92.9 43.7 41 44 A P H > S+ 0 0 15 0, 0.0 4,-2.5 0, 0.0 3,-0.3 0.951 112.5 48.9 -56.2 -49.1 22.1 93.4 45.5 42 45 A V H > S+ 0 0 20 -4,-0.4 4,-2.2 1,-0.2 -2,-0.2 0.842 110.0 54.8 -61.5 -28.7 21.1 96.7 47.3 43 46 A L H X S+ 0 0 2 -4,-1.6 4,-2.0 -3,-0.4 -1,-0.2 0.887 108.0 45.8 -74.7 -35.4 17.8 94.9 48.4 44 47 A V H X S+ 0 0 10 -4,-2.0 4,-2.1 -3,-0.3 -2,-0.2 0.923 113.2 52.1 -74.5 -27.0 19.7 92.0 50.0 45 48 A R H X S+ 0 0 79 -4,-2.5 4,-2.7 -5,-0.3 -2,-0.2 0.922 108.2 51.1 -66.0 -39.7 22.0 94.6 51.7 46 49 A L H X S+ 0 0 1 -4,-2.2 4,-2.2 -5,-0.2 5,-0.3 0.955 109.4 49.6 -61.7 -45.2 18.9 96.5 53.0 47 50 A A H X S+ 0 0 0 -4,-2.0 4,-0.9 1,-0.2 -1,-0.2 0.891 112.6 48.5 -64.2 -34.8 17.5 93.2 54.5 48 51 A W H X S+ 0 0 46 -4,-2.1 4,-2.7 2,-0.2 3,-0.3 0.941 111.5 48.6 -69.7 -45.7 20.9 92.5 56.2 49 52 A H H < S+ 0 0 14 -4,-2.7 4,-0.4 1,-0.2 -2,-0.2 0.838 109.2 51.2 -68.2 -30.9 21.2 96.1 57.7 50 53 A I H < S+ 0 0 4 -4,-2.2 -1,-0.2 -5,-0.2 3,-0.2 0.819 120.3 37.7 -74.3 -24.0 17.7 96.2 59.2 51 54 A S H >< S+ 0 0 0 -4,-0.9 3,-1.7 -3,-0.3 -2,-0.2 0.809 102.9 71.5 -87.3 -31.3 18.4 92.8 60.8 52 55 A G T 3< S+ 0 0 0 -4,-2.7 -1,-0.1 1,-0.3 -3,-0.1 0.516 81.8 73.1 -67.8 -9.7 22.1 93.5 61.7 53 56 A T T 3 S+ 0 0 5 -4,-0.4 -1,-0.3 -3,-0.2 -2,-0.1 0.475 72.5 120.3 -79.2 -4.7 21.1 95.9 64.4 54 57 A W < - 0 0 21 -3,-1.7 2,-0.4 7,-0.3 7,-0.2 -0.314 47.7-160.5 -64.5 145.1 20.0 93.1 66.7 55 58 A D B >>> -B 60 0B 28 5,-2.2 4,-1.4 1,-0.1 3,-1.1 -0.904 8.8-156.2-124.9 113.2 21.6 92.6 70.0 56 59 A K T 345S+ 0 0 85 101,-2.3 -1,-0.1 -2,-0.4 102,-0.1 0.685 87.9 65.8 -55.1 -21.2 21.1 89.1 71.6 57 60 A H T 345S+ 0 0 143 100,-0.2 -1,-0.2 1,-0.2 -3,-0.0 0.887 123.8 7.2 -76.2 -38.5 21.7 90.5 75.1 58 61 A D T <45S- 0 0 76 -3,-1.1 -2,-0.2 2,-0.1 -1,-0.2 0.220 95.5-120.5-125.6 9.4 18.6 92.7 75.4 59 62 A N T <5 + 0 0 27 -4,-1.4 2,-0.2 1,-0.2 -3,-0.2 0.737 63.3 143.5 53.2 27.0 16.7 91.8 72.2 60 63 A T B < +B 55 0B 35 -5,-0.7 -5,-2.2 -7,-0.1 -1,-0.2 -0.550 49.4 18.6 -86.1 162.9 16.8 95.4 70.9 61 64 A G S S+ 0 0 15 73,-0.4 -7,-0.3 -7,-0.2 4,-0.2 -0.328 73.9 119.6 69.9-159.6 17.2 96.2 67.2 62 65 A G S S- 0 0 6 -13,-0.2 3,-0.4 1,-0.2 5,-0.3 -0.098 79.0 -67.6 89.3 169.5 16.5 93.4 64.6 63 66 A S S > S+ 0 0 1 206,-0.4 3,-1.1 203,-0.3 -1,-0.2 0.767 106.0 87.2 -73.8 -20.6 14.1 93.2 61.7 64 67 A Y T 3 S+ 0 0 21 205,-0.4 38,-0.3 1,-0.2 39,-0.2 0.855 87.9 44.1 -45.7 -53.7 10.8 93.1 63.8 65 68 A G T 3 S- 0 0 7 -3,-0.4 65,-1.7 -4,-0.2 -1,-0.2 0.573 88.7-136.9 -80.7 -11.8 10.0 96.8 64.3 66 69 A G X + 0 0 4 -3,-1.1 3,-1.6 -4,-0.3 4,-0.1 0.773 45.9 156.4 61.1 29.2 10.7 98.2 60.8 67 70 A T G > + 0 0 7 -5,-0.3 3,-1.9 1,-0.3 6,-0.4 0.551 47.8 87.0 -71.9 -6.9 12.5 101.1 62.4 68 71 A Y G 3 S+ 0 0 1 1,-0.3 -1,-0.3 5,-0.2 6,-0.1 0.728 75.9 73.2 -60.9 -22.6 14.6 101.9 59.3 69 72 A R G < S+ 0 0 75 -3,-1.6 2,-0.3 4,-0.1 -1,-0.3 0.719 84.5 87.0 -65.2 -16.9 11.6 104.1 58.2 70 73 A F S X> S- 0 0 28 -3,-1.9 4,-2.6 -4,-0.1 3,-0.6 -0.687 89.0-119.1 -88.1 141.4 12.7 106.5 61.0 71 74 A K H 3> S+ 0 0 142 -2,-0.3 4,-2.6 1,-0.2 5,-0.1 0.785 107.7 58.9 -44.6 -44.4 15.2 109.3 60.4 72 75 A K H 34 S+ 0 0 83 1,-0.2 -1,-0.2 2,-0.2 4,-0.1 0.956 116.8 32.1 -56.0 -51.0 17.8 108.1 63.0 73 76 A E H X4 S+ 0 0 3 -3,-0.6 3,-1.3 -6,-0.4 -2,-0.2 0.896 118.0 54.9 -76.8 -36.3 18.2 104.7 61.3 74 77 A F H 3< S+ 0 0 43 -4,-2.6 -2,-0.2 -7,-0.3 -1,-0.2 0.856 112.6 44.8 -62.9 -33.8 17.6 106.0 57.8 75 78 A N T 3< S+ 0 0 105 -4,-2.6 -1,-0.3 -5,-0.3 -2,-0.2 0.302 78.0 130.3 -95.2 8.6 20.4 108.5 58.2 76 79 A D X - 0 0 9 -3,-1.3 3,-1.8 1,-0.2 4,-0.2 -0.477 62.3-133.5 -56.1 128.3 22.9 106.1 59.9 77 80 A P G > S+ 0 0 99 0, 0.0 3,-1.6 0, 0.0 -1,-0.2 0.868 106.3 63.1 -55.4 -32.4 26.2 106.7 57.9 78 81 A S G 3 S+ 0 0 41 1,-0.3 -2,-0.1 3,-0.0 -29,-0.0 0.744 99.5 53.5 -65.2 -22.1 26.5 102.9 57.7 79 82 A N G X S+ 0 0 1 -3,-1.8 3,-2.6 -6,-0.2 4,-0.4 0.344 75.8 142.1 -94.8 6.0 23.3 102.7 55.6 80 83 A A T < S+ 0 0 27 -3,-1.6 101,-0.1 1,-0.3 -5,-0.1 -0.195 70.7 22.5 -53.2 129.0 24.4 105.2 53.0 81 84 A G T > S+ 0 0 6 99,-0.1 3,-1.2 100,-0.0 4,-0.4 0.102 94.7 99.6 97.2 -21.3 23.2 104.2 49.6 82 85 A L T X> + 0 0 0 -3,-2.6 4,-2.3 1,-0.2 3,-1.1 0.735 60.3 82.4 -74.1 -11.5 20.3 102.0 51.0 83 86 A Q H 3> S+ 0 0 47 -4,-0.4 4,-2.5 1,-0.3 -1,-0.2 0.858 86.1 61.0 -56.9 -30.3 17.8 104.9 50.3 84 87 A N H <> S+ 0 0 60 -3,-1.2 4,-1.1 2,-0.2 -1,-0.3 0.819 103.4 46.7 -66.6 -33.9 17.8 103.5 46.7 85 88 A G H <> S+ 0 0 0 -3,-1.1 4,-2.1 -4,-0.4 -2,-0.2 0.918 112.6 51.5 -72.9 -41.6 16.4 100.1 48.0 86 89 A F H X S+ 0 0 44 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.943 109.4 48.3 -55.8 -50.9 13.8 102.0 50.1 87 90 A K H < S+ 0 0 114 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.848 109.1 55.0 -62.1 -30.9 12.6 104.1 47.1 88 91 A F H X S+ 0 0 4 -4,-1.1 4,-0.5 -5,-0.2 -1,-0.2 0.910 112.9 42.0 -64.7 -45.0 12.4 100.9 45.0 89 92 A L H X S+ 0 0 3 -4,-2.1 4,-1.9 1,-0.2 3,-0.4 0.759 94.6 81.6 -76.5 -21.1 10.1 99.3 47.6 90 93 A E H X S+ 0 0 77 -4,-1.9 4,-1.9 1,-0.2 3,-0.2 0.917 89.4 52.1 -58.9 -47.5 7.9 102.4 48.3 91 94 A P H > S+ 0 0 60 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.892 110.1 50.2 -42.3 -46.1 5.7 101.8 45.2 92 95 A I H X S+ 0 0 6 -4,-0.5 4,-2.0 -3,-0.4 -2,-0.2 0.867 108.1 51.9 -70.2 -31.5 5.0 98.2 46.3 93 96 A H H < S+ 0 0 46 -4,-1.9 -1,-0.2 -3,-0.2 6,-0.2 0.862 107.4 53.1 -72.4 -34.8 4.1 99.3 49.9 94 97 A K H < S+ 0 0 146 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.874 111.5 46.8 -61.5 -40.7 1.6 101.8 48.4 95 98 A E H < S+ 0 0 124 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.798 124.8 30.0 -70.9 -34.0 0.1 98.9 46.4 96 99 A F S >< S+ 0 0 20 -4,-2.0 3,-1.6 -5,-0.1 -1,-0.2 -0.619 70.2 166.3-124.0 74.6 -0.0 96.5 49.5 97 100 A P T 3 + 0 0 98 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.685 67.2 70.9 -72.2 -13.7 -0.5 98.9 52.4 98 101 A W T 3 S+ 0 0 55 -3,-0.1 2,-0.2 2,-0.1 -89,-0.1 0.691 76.6 91.5 -71.6 -25.0 -1.5 96.1 54.7 99 102 A I S < S- 0 0 4 -3,-1.6 2,-0.1 -6,-0.2 -3,-0.1 -0.523 80.1-119.6 -74.2 137.8 2.1 94.5 54.9 100 103 A S > - 0 0 14 -2,-0.2 4,-2.4 27,-0.2 5,-0.2 -0.380 20.3-114.4 -67.1 158.6 4.3 95.8 57.8 101 104 A S H > S+ 0 0 8 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.968 114.4 51.8 -61.7 -47.9 7.6 97.6 57.1 102 105 A G H > S+ 0 0 0 -38,-0.3 4,-2.5 1,-0.2 5,-0.2 0.899 112.8 47.2 -54.1 -42.9 9.8 94.8 58.7 103 106 A D H > S+ 0 0 0 24,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.900 112.4 47.5 -66.1 -43.9 8.1 92.2 56.6 104 107 A L H X S+ 0 0 2 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.936 113.5 47.7 -65.9 -45.9 8.3 94.2 53.4 105 108 A F H X S+ 0 0 8 -4,-2.7 4,-1.3 -5,-0.2 -2,-0.2 0.947 116.4 44.7 -62.2 -42.6 12.1 95.0 53.9 106 109 A S H X S+ 0 0 0 -4,-2.5 4,-2.0 -5,-0.3 -2,-0.2 0.918 112.2 49.8 -71.2 -36.4 12.9 91.3 54.8 107 110 A L H X S+ 0 0 0 -4,-2.4 4,-3.0 2,-0.2 5,-0.2 0.860 104.2 60.8 -68.3 -31.8 10.8 89.8 51.9 108 111 A G H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.915 106.3 46.8 -57.0 -42.5 12.6 92.2 49.4 109 112 A G H X S+ 0 0 0 -4,-1.3 4,-2.0 2,-0.2 -2,-0.2 0.923 113.5 48.2 -64.9 -44.4 15.9 90.5 50.5 110 113 A V H X S+ 0 0 0 -4,-2.0 4,-2.1 1,-0.2 5,-0.2 0.948 112.8 48.4 -60.0 -43.8 14.3 87.0 50.1 111 114 A T H X S+ 0 0 0 -4,-3.0 4,-2.6 1,-0.2 5,-0.2 0.907 109.3 51.9 -65.8 -44.4 12.9 87.9 46.7 112 115 A A H X S+ 0 0 0 -4,-2.3 4,-2.0 -5,-0.2 6,-0.2 0.939 110.1 48.6 -58.4 -46.7 16.2 89.3 45.3 113 116 A V H <>S+ 0 0 0 -4,-2.0 5,-2.9 2,-0.2 82,-0.2 0.949 115.5 42.5 -61.0 -50.7 18.2 86.2 46.3 114 117 A Q H ><5S+ 0 0 6 -4,-2.1 3,-1.4 1,-0.2 -1,-0.2 0.910 114.4 50.6 -65.3 -40.5 15.7 83.7 44.7 115 118 A E H 3<5S+ 0 0 42 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.826 106.7 54.4 -69.5 -25.6 15.2 85.9 41.6 116 119 A M T 3<5S- 0 0 18 -4,-2.0 79,-3.2 -5,-0.2 -1,-0.3 0.157 129.9-101.1 -88.0 25.0 19.0 86.2 41.1 117 120 A Q T < 5S+ 0 0 117 -3,-1.4 -3,-0.2 77,-0.2 -2,-0.1 0.660 75.5 142.8 52.3 36.9 19.0 82.3 41.2 118 121 A G < - 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0 0 38 -2,-0.7 3,-0.4 -5,-0.2 -23,-0.2 -0.878 66.1-103.2-136.5 176.6 26.9 81.9 42.9 197 200 A N S >> S+ 0 0 10 -2,-0.2 4,-1.5 1,-0.2 3,-1.1 0.245 80.2 119.3 -88.0 19.5 29.9 80.7 45.2 198 201 A E H 3> + 0 0 28 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.748 59.5 69.3 -53.4 -28.9 32.4 83.0 43.2 199 202 A F H 3> S+ 0 0 2 -3,-0.4 4,-2.0 -29,-0.3 -1,-0.2 0.946 105.1 42.3 -55.9 -42.5 33.3 85.1 46.3 200 203 A Y H <> S+ 0 0 0 -3,-1.1 4,-2.0 2,-0.2 -2,-0.2 0.903 113.9 50.8 -72.8 -41.8 35.1 82.0 47.7 201 204 A L H X S+ 0 0 63 -4,-1.5 4,-2.4 2,-0.2 5,-0.2 0.949 112.9 45.8 -60.9 -44.9 36.6 81.1 44.4 202 205 A N H X S+ 0 0 17 -4,-2.8 4,-2.2 2,-0.2 -2,-0.2 0.899 108.9 55.4 -67.2 -40.2 38.0 84.6 43.8 203 206 A L H < S+ 0 0 3 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.2 0.936 117.7 35.3 -57.2 -47.9 39.4 84.9 47.3 204 207 A L H < S+ 0 0 57 -4,-2.0 -2,-0.2 1,-0.1 -1,-0.2 0.771 125.7 37.9 -78.9 -30.0 41.4 81.7 46.9 205 208 A N H < S+ 0 0 116 -4,-2.4 -3,-0.2 -5,-0.2 -2,-0.2 0.661 94.2 86.3-103.3 -12.9 42.3 82.0 43.1 206 209 A E S < S- 0 0 50 -4,-2.2 2,-1.0 -5,-0.2 16,-0.0 -0.505 76.7-118.1 -88.9 161.8 43.1 85.7 42.5 207 210 A D - 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0 0 53 -34,-0.3 -4,-2.8 -4,-0.1 2,-0.4 -0.796 57.2-117.9-103.3 145.2 41.3 103.7 52.3 218 221 A E E +E 212 0E 98 -2,-0.4 2,-0.3 -6,-0.2 -6,-0.2 -0.681 38.8 163.3 -81.9 139.2 43.1 100.4 51.8 219 222 A Q E -E 211 0E 7 -8,-2.2 -8,-2.7 -2,-0.4 2,-0.6 -0.989 41.5-103.5-147.3 156.2 41.5 97.6 49.9 220 223 A W E -EF 210 228E 42 8,-2.3 8,-2.3 -2,-0.3 2,-0.3 -0.714 41.9-170.6 -85.7 117.2 42.7 94.3 48.3 221 224 A D E -EF 209 227E 28 -12,-2.9 -12,-2.7 -2,-0.6 2,-0.3 -0.855 7.4-156.2-111.1 144.6 42.8 94.7 44.5 222 225 A S E > -E 208 0E 12 4,-2.4 3,-2.2 -2,-0.3 4,-0.2 -0.882 30.5-115.6-118.8 158.1 43.4 92.1 41.7 223 226 A K T 3 S+ 0 0 149 -16,-0.6 -1,-0.1 -2,-0.3 -15,-0.1 0.849 112.5 64.5 -53.4 -34.6 44.6 92.2 38.1 224 227 A S T 3 S- 0 0 67 -17,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.569 122.1-101.6 -69.0 -6.9 41.2 91.2 36.9 225 228 A G S < S+ 0 0 51 -3,-2.2 2,-0.2 1,-0.3 -2,-0.1 0.575 81.0 128.4 93.9 10.5 39.6 94.4 38.2 226 229 A Y - 0 0 42 -4,-0.2 -4,-2.4 -38,-0.1 -1,-0.3 -0.621 38.8-160.1 -96.5 162.9 38.1 92.9 41.4 227 230 A M E -F 221 0E 9 -40,-2.1 2,-0.4 -6,-0.2 -6,-0.2 -0.942 6.6-159.2-139.5 154.5 38.4 94.2 44.9 228 231 A M E -F 220 0E 1 -8,-2.3 -8,-2.3 -2,-0.3 3,-0.0 -0.987 22.6-123.1-132.0 143.8 38.0 92.7 48.4 229 232 A L > - 0 0 16 -2,-0.4 4,-2.4 -10,-0.2 3,-0.5 -0.542 31.3-108.5 -75.3 158.6 37.4 94.7 51.6 230 233 A P H > S+ 0 0 23 0, 0.0 4,-1.9 0, 0.0 -85,-0.2 0.952 123.8 49.4 -53.1 -47.6 39.9 94.2 54.6 231 234 A T H 4 S+ 0 0 15 -87,-2.3 4,-0.4 1,-0.2 -86,-0.1 0.816 110.3 52.1 -64.5 -25.9 37.2 92.2 56.5 232 235 A D H >4 S+ 0 0 6 -3,-0.5 3,-1.2 -88,-0.2 4,-0.3 0.912 108.5 47.8 -70.5 -45.0 36.6 90.1 53.3 233 236 A Y H >X S+ 0 0 44 -4,-2.4 3,-1.8 1,-0.2 4,-0.9 0.811 96.1 78.4 -65.9 -28.9 40.2 89.2 52.9 234 237 A S H 3X S+ 0 0 0 -4,-1.9 4,-1.4 -5,-0.3 3,-0.3 0.779 79.2 70.4 -42.7 -33.7 40.2 88.3 56.6 235 238 A L H <4 S+ 0 0 0 -3,-1.2 -1,-0.3 -4,-0.4 10,-0.2 0.756 101.3 41.7 -69.5 -24.5 38.5 85.1 55.8 236 239 A I H <4 S+ 0 0 37 -3,-1.8 -1,-0.2 -4,-0.3 -2,-0.2 0.629 109.3 61.5 -95.4 -9.1 41.6 83.6 54.2 237 240 A Q H < S+ 0 0 112 -4,-0.9 -2,-0.2 -3,-0.3 -3,-0.1 0.758 94.4 68.3 -79.1 -26.0 43.9 85.0 57.0 238 241 A D S X S- 0 0 25 -4,-1.4 4,-2.9 1,-0.1 5,-0.2 -0.830 77.1-141.8 -96.8 132.5 42.2 83.1 59.8 239 242 A P H > S+ 0 0 99 0, 0.0 4,-1.7 0, 0.0 -1,-0.1 0.859 99.9 47.7 -63.2 -38.9 42.7 79.2 59.8 240 243 A K H > S+ 0 0 113 2,-0.2 4,-1.2 1,-0.1 -5,-0.0 0.979 118.4 41.4 -64.6 -50.9 39.1 78.3 61.0 241 244 A Y H >> S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 3,-0.6 0.936 110.3 58.3 -59.0 -48.9 37.5 80.6 58.4 242 245 A L H 3X S+ 0 0 43 -4,-2.9 4,-2.1 1,-0.2 5,-0.2 0.898 103.2 51.6 -55.1 -43.4 39.9 79.6 55.7 243 246 A S H 3X S+ 0 0 67 -4,-1.7 4,-1.3 1,-0.2 -1,-0.2 0.855 110.1 48.5 -70.2 -21.6 39.0 75.9 55.8 244 247 A I H S+ 0 0 129 1,-0.2 4,-2.8 -3,-0.2 5,-0.2 0.899 85.9 56.6 -64.0 -33.4 28.2 75.2 45.6 253 256 A D H > S+ 0 0 103 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.909 107.0 48.2 -63.2 -44.4 25.2 73.2 46.9 254 257 A K H > S+ 0 0 55 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.934 111.9 51.5 -60.2 -48.7 26.5 73.1 50.6 255 258 A F H X S+ 0 0 0 -4,-2.0 4,-2.8 2,-0.2 5,-0.2 0.958 111.4 46.5 -49.7 -56.7 27.1 76.9 50.2 256 259 A F H X S+ 0 0 46 -4,-2.8 4,-2.2 2,-0.2 -2,-0.2 0.942 113.9 48.7 -53.5 -45.6 23.5 77.4 49.0 257 260 A K H X S+ 0 0 93 -4,-2.6 4,-1.8 1,-0.2 -2,-0.2 0.928 115.4 42.8 -62.7 -44.0 22.1 75.2 51.8 258 261 A D H X S+ 0 0 10 -4,-2.8 4,-2.1 2,-0.2 -1,-0.2 0.862 112.0 53.4 -74.0 -32.1 24.1 76.9 54.6 259 262 A F H X S+ 0 0 3 -4,-2.8 4,-2.9 -5,-0.3 5,-0.3 0.944 106.8 53.9 -62.8 -46.2 23.4 80.5 53.2 260 263 A S H X S+ 0 0 17 -4,-2.2 4,-2.1 -5,-0.2 5,-0.2 0.927 111.1 44.8 -54.7 -50.4 19.6 79.7 53.2 261 264 A K H X S+ 0 0 128 -4,-1.8 4,-2.2 1,-0.2 -1,-0.2 0.911 116.2 45.0 -62.4 -43.1 19.7 78.7 56.9 262 265 A A H X S+ 0 0 2 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.840 112.5 50.3 -75.9 -28.4 21.9 81.6 58.1 263 266 A F H X S+ 0 0 5 -4,-2.9 4,-2.1 2,-0.2 -2,-0.2 0.912 112.6 47.2 -73.6 -39.9 20.0 84.3 56.1 264 267 A E H X S+ 0 0 34 -4,-2.1 4,-1.8 -5,-0.3 3,-0.2 0.984 113.7 48.5 -62.0 -48.3 16.6 83.1 57.5 265 268 A K H X S+ 0 0 58 -4,-2.2 4,-1.4 1,-0.2 3,-0.4 0.920 110.4 51.9 -56.7 -44.0 18.1 83.0 61.0 266 269 A L H < S+ 0 0 4 -4,-2.3 -203,-0.3 1,-0.2 -1,-0.2 0.877 111.8 45.9 -53.9 -46.8 19.4 86.5 60.4 267 270 A L H < S+ 0 0 3 -4,-2.1 -1,-0.2 -3,-0.2 -2,-0.2 0.723 116.3 45.7 -74.2 -22.2 16.0 87.8 59.4 268 271 A E H >< S+ 0 0 34 -4,-1.8 3,-1.9 -3,-0.4 -2,-0.2 0.508 76.6 127.2 -99.2 -12.5 14.2 86.0 62.3 269 272 A D T 3< S+ 0 0 20 -4,-1.4 -205,-0.4 1,-0.2 -206,-0.4 -0.203 77.8 18.0 -50.6 129.9 16.5 87.0 65.2 270 273 A G T 3 S+ 0 0 16 1,-0.2 2,-0.4 -208,-0.1 -267,-0.4 0.166 97.2 116.3 95.4 -18.4 14.5 88.6 68.1 271 274 A I < - 0 0 18 -3,-1.9 2,-0.6 -269,-0.1 -1,-0.2 -0.689 51.5-152.8 -94.8 129.4 11.1 87.3 67.0 272 275 A T B -a 4 0A 66 -269,-3.4 -267,-3.2 -2,-0.4 -3,-0.0 -0.880 10.7-159.4 -94.3 118.8 9.0 85.0 69.0 273 276 A F - 0 0 46 -2,-0.6 -267,-0.1 -269,-0.2 -269,-0.1 -0.911 16.1-131.2-101.2 114.1 6.6 82.9 66.8 274 277 A P > - 0 0 44 0, 0.0 3,-2.4 0, 0.0 -270,-0.0 -0.276 25.2-112.7 -51.0 147.9 3.6 81.4 68.7 275 278 A K T 3 S+ 0 0 193 1,-0.3 -2,-0.0 0, 0.0 0, 0.0 0.725 117.5 55.9 -69.2 -13.7 3.0 77.6 68.0 276 279 A D T 3 S+ 0 0 144 2,-0.0 -1,-0.3 3,-0.0 3,-0.1 0.325 83.5 113.5 -88.7 3.7 -0.3 78.3 66.2 277 280 A A S < S- 0 0 24 -3,-2.4 -4,-0.1 1,-0.1 -271,-0.0 -0.486 78.7 -95.7 -69.6 149.4 1.6 80.7 63.8 278 281 A P - 0 0 55 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.234 42.6 -97.4 -63.3 152.8 1.8 79.4 60.2 279 282 A S - 0 0 95 1,-0.1 2,-0.1 -3,-0.1 -156,-0.1 -0.165 54.3 -77.0 -54.5 161.0 4.7 77.5 58.8 280 283 A P - 0 0 47 0, 0.0 2,-0.3 0, 0.0 -156,-0.2 -0.418 50.7-124.3 -59.6 136.9 7.5 79.3 56.9 281 284 A F B -C 123 0C 22 -158,-3.4 -158,-2.1 -3,-0.1 2,-0.6 -0.710 13.6-156.0 -83.2 140.1 6.5 80.1 53.3 282 285 A I - 0 0 81 -2,-0.3 2,-0.3 -160,-0.2 -162,-0.0 -0.950 22.5-149.6-109.4 107.2 8.6 78.9 50.4 283 286 A F - 0 0 0 -2,-0.6 2,-0.2 -162,-0.3 -162,-0.1 -0.583 8.1-125.3 -82.6 139.4 7.7 81.3 47.5 284 287 A K - 0 0 103 -2,-0.3 2,-0.1 1,-0.1 -1,-0.1 -0.499 25.5-121.0 -74.0 146.4 7.8 80.3 43.9 285 288 A T > - 0 0 14 -2,-0.2 4,-1.6 1,-0.1 6,-0.2 -0.491 24.9-108.7 -79.7 162.7 9.9 82.3 41.5 286 289 A L H >>>S+ 0 0 0 1,-0.2 5,-2.2 2,-0.2 4,-0.9 0.976 122.5 54.7 -52.5 -40.6 8.5 84.1 38.4 287 290 A E H >45S+ 0 0 155 1,-0.3 3,-1.2 2,-0.2 -1,-0.2 0.917 105.7 48.2 -60.9 -46.4 10.3 81.5 36.3 288 291 A E H 345S+ 0 0 108 1,-0.3 -1,-0.3 2,-0.1 -2,-0.2 0.782 114.8 48.8 -67.8 -21.3 8.6 78.6 38.2 289 292 A Q H <<5S- 0 0 63 -4,-1.6 -1,-0.3 -3,-0.7 -2,-0.2 0.501 110.2-122.8 -88.7 -8.9 5.3 80.3 37.7 290 293 A G T <<5 0 0 70 -3,-1.2 -3,-0.2 -4,-0.9 -4,-0.1 0.754 360.0 360.0 68.1 21.8 5.9 81.0 33.9 291 294 A L < 0 0 103 -5,-2.2 -1,-0.2 -6,-0.2 -2,-0.1 -0.358 360.0 360.0 -91.8 360.0 5.4 84.7 34.6