==== 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 02-JAN-98 1A2G . COMPND 2 MOLECULE: CYTOCHROME C PEROXIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR Y.CAO,D.B.GOODIN,D.E.MCREE . 291 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12999.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 186 63.9 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 . 16 5.5 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 . 10 3.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 43 14.8 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 . 2 2 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 . 1 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 0 130 0, 0.0 2,-0.4 0, 0.0 59,-0.0 0.000 360.0 360.0 360.0 135.7 12.2 78.2 113.6 2 5 A V - 0 0 109 2,-0.0 2,-0.5 269,-0.0 269,-0.1 -0.958 360.0-166.4-111.0 139.3 13.8 77.5 110.3 3 6 A H - 0 0 27 -2,-0.4 269,-3.2 267,-0.2 2,-0.4 -0.912 9.5-161.4-127.2 103.4 14.6 73.7 109.7 4 7 A V B -a 272 0A 72 -2,-0.5 2,-0.3 267,-0.2 269,-0.2 -0.698 20.9-117.4 -93.6 134.6 17.0 73.3 106.7 5 8 A A - 0 0 13 267,-2.8 2,-0.4 -2,-0.4 122,-0.2 -0.523 31.0-172.9 -69.3 132.9 17.3 70.0 105.0 6 9 A S - 0 0 71 120,-2.4 120,-0.2 -2,-0.3 3,-0.1 -0.916 21.1-131.0-130.4 100.7 20.8 68.5 105.2 7 10 A V - 0 0 53 -2,-0.4 3,-0.1 118,-0.2 2,-0.0 -0.256 35.7-100.8 -47.4 130.9 21.7 65.4 103.2 8 11 A E > - 0 0 21 1,-0.2 3,-2.4 2,-0.1 -1,-0.1 -0.337 61.6 -81.9 -56.2 131.2 23.4 62.7 105.4 9 12 A K T 3 S- 0 0 196 1,-0.3 -1,-0.2 89,-0.1 -3,-0.0 -0.119 103.7 -8.3 -56.0 113.6 27.0 63.1 104.4 10 13 A G T 3 S+ 0 0 77 1,-0.2 -1,-0.3 -3,-0.1 2,-0.3 0.499 94.4 138.5 87.1 4.9 28.1 61.4 101.3 11 14 A R < - 0 0 90 -3,-2.4 -1,-0.2 87,-0.1 2,-0.2 -0.526 27.9-174.9 -88.5 138.4 24.8 59.4 100.7 12 15 A S >> - 0 0 46 -2,-0.3 4,-1.4 1,-0.1 3,-0.7 -0.695 46.1 -81.6-115.3-175.1 23.2 59.1 97.3 13 16 A Y H 3> S+ 0 0 63 1,-0.2 4,-2.7 -2,-0.2 3,-0.3 0.907 125.3 57.7 -51.4 -45.0 20.0 57.6 95.9 14 17 A E H 3> S+ 0 0 114 1,-0.3 4,-1.2 2,-0.2 -1,-0.2 0.834 102.2 54.0 -63.3 -30.8 21.5 54.1 95.9 15 18 A D H <> S+ 0 0 27 -3,-0.7 4,-1.3 2,-0.2 -1,-0.3 0.930 111.4 44.7 -66.3 -43.1 22.2 54.2 99.7 16 19 A F H X S+ 0 0 0 -4,-1.4 4,-2.6 -3,-0.3 3,-0.3 0.911 106.3 59.7 -70.1 -37.7 18.5 55.2 100.4 17 20 A Q H X S+ 0 0 14 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.842 103.4 54.2 -58.4 -28.8 17.2 52.5 98.0 18 21 A K H X S+ 0 0 104 -4,-1.2 4,-2.3 2,-0.2 -1,-0.2 0.876 106.8 48.3 -72.6 -39.0 19.1 50.0 100.3 19 22 A V H X S+ 0 0 0 -4,-1.3 4,-2.1 -3,-0.3 -2,-0.2 0.956 113.4 49.6 -66.2 -39.8 17.3 51.2 103.5 20 23 A Y H X S+ 0 0 0 -4,-2.6 4,-2.9 1,-0.2 3,-0.3 0.968 110.8 49.6 -58.3 -59.0 14.0 50.9 101.5 21 24 A N H X S+ 0 0 25 -4,-2.6 4,-2.6 1,-0.2 5,-0.3 0.906 109.9 51.1 -45.8 -45.4 14.9 47.3 100.3 22 25 A A H X S+ 0 0 19 -4,-2.3 4,-1.7 2,-0.2 -1,-0.2 0.876 112.5 45.4 -64.4 -39.3 15.7 46.4 103.9 23 26 A I H X S+ 0 0 0 -4,-2.1 4,-1.8 -3,-0.3 -2,-0.2 0.950 115.0 47.9 -66.7 -43.4 12.3 47.7 105.2 24 27 A A H X S+ 0 0 1 -4,-2.9 4,-2.4 1,-0.2 3,-0.2 0.949 111.3 49.8 -67.1 -42.3 10.4 46.0 102.4 25 28 A L H X S+ 0 0 71 -4,-2.6 4,-2.1 1,-0.3 -1,-0.2 0.887 111.1 49.3 -62.5 -42.0 12.2 42.6 102.9 26 29 A K H X S+ 0 0 41 -4,-1.7 4,-2.6 -5,-0.3 -1,-0.3 0.845 107.9 54.9 -71.0 -23.7 11.5 42.7 106.6 27 30 A L H < S+ 0 0 23 -4,-1.8 12,-0.2 -3,-0.2 -2,-0.2 0.955 109.5 47.9 -68.7 -44.3 7.7 43.5 105.7 28 31 A R H >< S+ 0 0 136 -4,-2.4 3,-0.7 1,-0.2 -2,-0.2 0.929 114.9 46.7 -55.1 -45.1 7.7 40.4 103.6 29 32 A E H 3< S+ 0 0 129 -4,-2.1 2,-0.7 1,-0.2 3,-0.3 0.934 109.0 49.2 -69.5 -50.7 9.3 38.4 106.3 30 33 A D T >< + 0 0 30 -4,-2.6 3,-1.3 1,-0.2 -1,-0.2 -0.106 67.3 140.3 -90.3 49.8 7.2 39.4 109.4 31 34 A D T < + 0 0 85 -2,-0.7 -1,-0.2 -3,-0.7 -2,-0.1 0.596 55.7 72.0 -66.7 -9.3 3.8 38.8 107.7 32 35 A E T 3> + 0 0 93 -3,-0.3 4,-2.1 4,-0.1 -1,-0.2 0.704 65.9 118.8 -84.8 -20.3 2.2 37.3 110.9 33 36 A Y H <>>S+ 0 0 41 -3,-1.3 5,-2.6 2,-0.2 4,-0.9 -0.157 80.4 9.1 -50.8 141.5 1.9 40.5 113.0 34 37 A D H >45S- 0 0 39 1,-0.2 3,-1.4 2,-0.2 -1,-0.2 0.963 140.6 -46.7 51.6 62.5 -1.7 41.5 114.1 35 38 A N H 345S- 0 0 152 1,-0.2 -2,-0.2 -3,-0.2 -1,-0.2 0.906 113.4 -49.5 44.4 52.1 -3.4 38.3 112.8 36 39 A Y H 3<5S+ 0 0 160 -4,-2.1 -1,-0.2 1,-0.1 -2,-0.2 0.676 108.0 118.7 64.4 17.9 -1.6 38.4 109.5 37 40 A I T <<5 - 0 0 14 -3,-1.4 3,-0.2 -4,-0.9 -3,-0.2 0.881 67.0-145.1 -71.3 -35.7 -2.3 42.0 108.6 38 41 A G < - 0 0 9 -5,-2.6 4,-0.4 1,-0.1 -7,-0.1 -0.320 27.3 -74.0 92.5 172.3 1.5 42.6 108.6 39 42 A Y S > S+ 0 0 37 -12,-0.2 4,-2.1 1,-0.2 5,-0.2 0.572 104.0 95.6 -85.9 -5.3 3.4 45.8 109.8 40 43 A G H > S+ 0 0 4 -3,-0.2 4,-2.2 2,-0.2 5,-0.2 0.939 85.6 46.9 -46.0 -59.8 2.5 48.0 106.7 41 44 A P H > S+ 0 0 15 0, 0.0 4,-2.4 0, 0.0 3,-0.3 0.947 112.3 46.6 -51.5 -56.3 -0.5 49.7 108.4 42 45 A V H > S+ 0 0 17 -4,-0.4 4,-2.3 1,-0.2 -2,-0.2 0.886 111.1 55.4 -64.0 -28.3 1.2 50.5 111.7 43 46 A L H X S+ 0 0 2 -4,-2.1 4,-2.2 2,-0.2 66,-0.3 0.907 107.8 46.2 -69.9 -39.8 4.2 51.9 109.8 44 47 A V H X S+ 0 0 10 -4,-2.2 4,-2.0 -3,-0.3 5,-0.2 0.941 113.0 52.0 -72.1 -30.2 2.1 54.4 107.7 45 48 A R H X S+ 0 0 75 -4,-2.4 4,-2.7 -5,-0.2 -2,-0.2 0.910 108.5 50.5 -63.8 -38.9 0.4 55.4 111.0 46 49 A L H X S+ 0 0 1 -4,-2.3 4,-2.0 -5,-0.2 5,-0.3 0.967 109.7 50.6 -62.5 -45.7 3.8 56.0 112.6 47 50 A A H X S+ 0 0 0 -4,-2.2 4,-0.8 1,-0.2 -1,-0.2 0.857 112.1 46.5 -59.6 -39.5 4.9 58.2 109.7 48 51 A W H X S+ 0 0 50 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.906 112.3 51.6 -72.3 -40.2 1.6 60.3 109.9 49 52 A H H < S+ 0 0 12 -4,-2.7 -2,-0.2 -5,-0.2 4,-0.2 0.805 108.5 47.4 -67.9 -31.5 2.0 60.7 113.7 50 53 A I H < S+ 0 0 5 -4,-2.0 -1,-0.2 -5,-0.2 3,-0.2 0.753 120.4 42.7 -77.2 -22.6 5.6 62.0 113.7 51 54 A S H >< S+ 0 0 0 -4,-0.8 3,-1.3 -5,-0.3 -2,-0.2 0.777 102.4 67.0 -84.8 -29.1 4.5 64.4 111.0 52 55 A G T 3< S+ 0 0 0 -4,-2.2 -1,-0.1 1,-0.3 -3,-0.1 0.395 80.8 76.7 -80.9 -2.4 1.1 65.4 112.5 53 56 A T T 3 S+ 0 0 4 -3,-0.2 -1,-0.3 -4,-0.2 2,-0.2 0.444 71.0 124.5 -82.3 -3.6 2.6 67.2 115.5 54 57 A W < - 0 0 21 -3,-1.3 2,-0.6 7,-0.2 7,-0.2 -0.374 45.2-162.0 -67.8 135.3 3.4 70.2 113.2 55 58 A D B >>> -B 60 0B 30 5,-2.6 4,-1.3 -2,-0.2 3,-0.8 -0.881 6.9-159.7-112.2 110.9 2.2 73.7 113.9 56 59 A K T 345S+ 0 0 75 101,-2.2 -1,-0.1 -2,-0.6 102,-0.1 0.684 85.6 65.7 -60.1 -19.6 2.4 76.1 110.9 57 60 A H T 345S+ 0 0 137 100,-0.2 -1,-0.2 1,-0.2 100,-0.0 0.918 122.4 9.6 -73.5 -46.1 2.3 79.2 113.2 58 61 A D T <45S- 0 0 78 -3,-0.8 -2,-0.2 2,-0.1 -1,-0.2 0.260 97.6-119.5-114.9 9.1 5.7 78.7 114.9 59 62 A N T <5 + 0 0 26 -4,-1.3 2,-0.2 1,-0.2 -3,-0.2 0.714 63.5 144.7 58.9 19.2 7.2 75.9 112.8 60 63 A T B < +B 55 0B 35 -5,-0.7 -5,-2.6 -7,-0.0 -1,-0.2 -0.564 48.1 10.3 -81.5 159.8 7.5 73.5 115.8 61 64 A G S S+ 0 0 14 73,-0.4 3,-0.2 -7,-0.2 -7,-0.2 -0.306 71.4 117.1 70.6-159.6 6.9 69.7 115.6 62 65 A G S S- 0 0 4 1,-0.2 3,-0.4 -13,-0.2 5,-0.3 -0.197 81.6 -60.1 85.5-179.5 6.6 67.8 112.4 63 66 A S S > S+ 0 0 2 206,-0.4 3,-1.3 203,-0.3 -1,-0.2 0.739 107.4 86.5 -78.7 -21.8 9.0 65.1 111.0 64 67 A Y T 3 S+ 0 0 23 205,-0.4 38,-0.3 1,-0.2 -1,-0.2 0.876 88.4 44.0 -42.9 -54.6 12.3 66.9 110.8 65 68 A G T 3 S- 0 0 8 -3,-0.4 65,-1.8 -4,-0.2 -1,-0.2 0.497 90.4-136.5 -82.9 -4.7 13.7 66.5 114.3 66 69 A G X + 0 0 2 -3,-1.3 3,-1.6 -4,-0.2 4,-0.1 0.763 45.4 157.8 54.2 30.3 12.9 62.8 114.7 67 70 A T G > + 0 0 6 -5,-0.3 3,-1.9 1,-0.3 6,-0.4 0.587 49.3 86.0 -70.4 -8.3 11.7 63.5 118.3 68 71 A Y G 3 S+ 0 0 1 1,-0.3 -1,-0.3 5,-0.2 6,-0.2 0.800 77.7 73.8 -54.9 -27.7 9.4 60.4 118.7 69 72 A R G < S+ 0 0 77 -3,-1.6 2,-0.3 4,-0.1 -1,-0.3 0.735 85.0 84.0 -58.0 -27.9 12.8 58.8 119.8 70 73 A F S <> S- 0 0 27 -3,-1.9 4,-2.7 -4,-0.1 3,-0.5 -0.603 89.6-117.5 -85.1 147.4 12.4 60.8 123.1 71 74 A K H > S+ 0 0 141 -2,-0.3 4,-2.6 1,-0.2 5,-0.1 0.818 106.8 56.8 -49.5 -49.3 10.3 59.6 126.1 72 75 A K H 4 S+ 0 0 84 1,-0.2 -1,-0.2 2,-0.2 -4,-0.1 0.923 117.7 32.9 -52.2 -51.2 7.7 62.5 126.1 73 76 A E H >4 S+ 0 0 3 -3,-0.5 3,-1.4 -6,-0.4 -1,-0.2 0.902 117.0 55.9 -72.9 -41.5 6.5 62.0 122.5 74 77 A F H 3< S+ 0 0 44 -4,-2.7 -2,-0.2 -7,-0.3 -3,-0.2 0.884 112.1 43.3 -59.4 -38.8 7.1 58.2 122.6 75 78 A N T 3< S+ 0 0 107 -4,-2.6 -1,-0.3 -5,-0.3 -2,-0.2 0.237 79.8 133.6 -92.8 10.6 4.7 57.8 125.6 76 79 A D X - 0 0 9 -3,-1.4 3,-2.9 1,-0.1 4,-0.4 -0.515 62.3-129.9 -57.3 122.8 2.0 60.3 124.3 77 80 A P G > S+ 0 0 101 0, 0.0 3,-2.0 0, 0.0 -1,-0.1 0.884 108.6 58.7 -42.6 -44.0 -1.4 58.5 124.9 78 81 A S G 3 S+ 0 0 46 1,-0.3 -2,-0.1 63,-0.1 -3,-0.0 0.622 100.8 56.6 -62.5 -16.6 -2.3 59.2 121.2 79 82 A N G X S+ 0 0 1 -3,-2.9 3,-2.4 -6,-0.1 4,-0.3 0.445 74.6 140.5 -95.4 -2.8 0.7 57.2 120.1 80 83 A A T < S+ 0 0 25 -3,-2.0 101,-0.1 -4,-0.4 -5,-0.1 -0.122 70.4 21.4 -44.0 123.7 -0.3 54.0 121.9 81 84 A G T > S+ 0 0 6 100,-0.1 3,-1.0 99,-0.1 4,-0.4 0.164 92.9 100.5 99.0 -16.1 0.6 50.9 119.8 82 85 A L T X> + 0 0 0 -3,-2.4 4,-2.2 1,-0.2 3,-1.2 0.742 60.4 83.7 -75.6 -13.5 3.2 52.7 117.6 83 86 A Q H 3> S+ 0 0 49 -4,-0.3 4,-2.6 1,-0.3 -1,-0.2 0.809 85.8 59.2 -56.3 -25.9 6.0 51.1 119.8 84 87 A N H <> S+ 0 0 47 -3,-1.0 4,-1.5 2,-0.2 -1,-0.3 0.805 104.3 47.7 -71.2 -35.4 5.5 48.0 117.5 85 88 A G H <> S+ 0 0 0 -3,-1.2 4,-1.6 -4,-0.4 -2,-0.2 0.909 113.4 49.7 -72.3 -39.0 6.4 50.1 114.4 86 89 A F H X S+ 0 0 50 -4,-2.2 4,-1.9 2,-0.2 3,-0.4 0.967 109.5 49.7 -58.4 -54.0 9.4 51.5 116.3 87 90 A K H < S+ 0 0 114 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.868 108.8 54.1 -57.0 -36.0 10.6 48.0 117.3 88 91 A F H < S+ 0 0 5 -4,-1.5 4,-0.4 1,-0.2 -1,-0.3 0.885 112.3 42.9 -61.7 -44.1 10.3 46.8 113.8 89 92 A L H >X S+ 0 0 1 -4,-1.6 4,-2.1 -3,-0.4 3,-0.5 0.730 93.3 82.6 -79.7 -22.6 12.5 49.7 112.4 90 93 A E H 3X S+ 0 0 82 -4,-1.9 4,-2.4 1,-0.2 5,-0.2 0.894 89.5 49.3 -55.9 -48.0 15.2 49.5 115.2 91 94 A P H 3> S+ 0 0 64 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.823 111.2 54.4 -53.2 -32.7 17.2 46.5 113.6 92 95 A I H <> S+ 0 0 5 -3,-0.5 4,-1.4 -4,-0.4 -2,-0.2 0.907 106.3 48.7 -72.9 -37.1 17.1 48.5 110.4 93 96 A H H >< S+ 0 0 46 -4,-2.1 3,-0.7 1,-0.2 6,-0.2 0.956 108.0 54.5 -68.5 -44.3 18.6 51.5 112.1 94 97 A K H 3< S+ 0 0 142 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.819 111.0 48.8 -54.0 -29.7 21.4 49.4 113.6 95 98 A E H 3< S+ 0 0 125 -4,-1.3 -1,-0.2 1,-0.3 -2,-0.2 0.736 122.5 30.0 -83.1 -27.2 22.2 48.2 110.1 96 99 A F S X< S+ 0 0 20 -4,-1.4 3,-1.6 -3,-0.7 -1,-0.3 -0.608 72.5 169.0-127.8 74.2 22.2 51.7 108.5 97 100 A P T 3 + 0 0 99 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.661 67.8 67.2 -65.9 -18.2 23.4 53.9 111.4 98 101 A W T 3 S+ 0 0 54 -3,-0.1 2,-0.2 -5,-0.1 -89,-0.1 0.652 76.6 94.9 -75.1 -22.6 24.0 56.9 109.3 99 102 A I S < S- 0 0 4 -3,-1.6 -3,-0.1 -6,-0.2 2,-0.1 -0.580 79.1-119.8 -75.7 138.0 20.3 57.6 108.4 100 103 A S > - 0 0 14 -2,-0.2 4,-2.2 27,-0.2 5,-0.2 -0.370 21.1-114.5 -67.0 155.1 18.6 60.2 110.6 101 104 A S H > S+ 0 0 8 2,-0.2 4,-3.1 1,-0.2 5,-0.3 0.972 115.0 50.8 -55.1 -50.1 15.5 59.1 112.7 102 105 A G H > S+ 0 0 0 -38,-0.3 4,-1.9 1,-0.2 5,-0.2 0.883 111.4 47.9 -56.3 -42.9 13.1 61.4 110.8 103 106 A D H > S+ 0 0 0 24,-0.2 4,-2.0 -39,-0.2 -1,-0.2 0.931 115.9 44.7 -63.6 -40.0 14.3 60.1 107.5 104 107 A L H X S+ 0 0 2 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.976 114.8 46.5 -66.5 -52.0 13.9 56.5 108.7 105 108 A F H X S+ 0 0 6 -4,-3.1 4,-1.1 1,-0.2 -3,-0.2 0.899 118.1 43.7 -58.3 -39.7 10.4 57.0 110.4 106 109 A S H X S+ 0 0 0 -4,-1.9 4,-1.7 -5,-0.3 -1,-0.2 0.856 111.3 51.2 -78.4 -35.0 9.1 58.8 107.3 107 110 A L H X S+ 0 0 0 -4,-2.0 4,-2.9 -5,-0.2 -2,-0.2 0.840 101.8 63.8 -71.8 -28.8 10.6 56.4 104.7 108 111 A G H X S+ 0 0 1 -4,-2.3 4,-2.9 2,-0.2 -2,-0.2 0.954 104.0 47.3 -53.5 -46.6 9.0 53.5 106.6 109 112 A G H X S+ 0 0 0 -4,-1.1 4,-2.3 -66,-0.3 -2,-0.2 0.915 112.9 48.6 -60.9 -46.1 5.6 55.0 105.7 110 113 A V H X S+ 0 0 0 -4,-1.7 4,-1.9 2,-0.2 -1,-0.2 0.910 113.1 46.9 -59.3 -42.8 6.6 55.5 102.1 111 114 A T H X S+ 0 0 0 -4,-2.9 4,-2.4 2,-0.2 5,-0.2 0.953 110.8 53.0 -68.9 -44.5 7.9 51.9 101.9 112 115 A A H X S+ 0 0 0 -4,-2.9 4,-2.2 1,-0.2 6,-0.2 0.947 110.5 46.2 -54.5 -52.5 4.8 50.5 103.5 113 116 A V H <>S+ 0 0 0 -4,-2.3 5,-2.5 1,-0.2 -1,-0.2 0.896 115.2 45.7 -58.7 -45.2 2.4 52.2 101.1 114 117 A Q H ><5S+ 0 0 8 -4,-1.9 3,-0.9 1,-0.2 -1,-0.2 0.868 112.4 48.6 -71.2 -36.5 4.3 51.2 98.0 115 118 A E H 3<5S+ 0 0 42 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.814 104.2 62.2 -73.6 -28.1 4.8 47.6 99.0 116 119 A M T 3<5S- 0 0 15 -4,-2.2 79,-3.0 -5,-0.2 -1,-0.2 0.136 128.6 -98.3 -77.0 26.9 1.0 47.4 99.8 117 120 A Q T < 5S+ 0 0 126 -3,-0.9 -3,-0.2 77,-0.2 -2,-0.1 0.693 80.1 143.4 61.8 20.0 0.4 48.1 96.1 118 121 A G < - 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0 0 33 -2,-0.7 3,-0.5 -26,-0.2 -23,-0.1 -0.933 67.1 -99.0-140.3 177.9 -7.3 50.6 97.6 197 200 A N T >> S+ 0 0 17 -2,-0.3 4,-1.5 1,-0.2 3,-1.4 0.330 79.9 122.0 -84.0 24.2 -10.2 53.1 97.6 198 201 A E H 3> + 0 0 26 1,-0.3 4,-2.9 2,-0.2 5,-0.3 0.791 59.8 65.9 -58.1 -37.1 -12.2 50.7 99.8 199 202 A F H <> S+ 0 0 2 -3,-0.5 4,-1.6 -29,-0.3 -1,-0.3 0.872 105.2 43.2 -51.4 -42.0 -12.7 53.3 102.5 200 203 A Y H <> S+ 0 0 0 -3,-1.4 4,-2.3 2,-0.2 5,-0.2 0.948 112.7 51.9 -73.7 -47.1 -14.8 55.5 100.3 201 204 A L H X S+ 0 0 62 -4,-1.5 4,-2.3 1,-0.2 5,-0.3 0.952 112.3 46.1 -57.7 -46.5 -16.8 52.6 98.9 202 205 A N H X S+ 0 0 16 -4,-2.9 4,-1.6 1,-0.2 -1,-0.2 0.862 109.6 53.6 -63.7 -38.5 -17.7 51.3 102.3 203 206 A L H < S+ 0 0 4 -4,-1.6 -1,-0.2 -5,-0.3 -2,-0.2 0.907 118.4 36.8 -64.4 -38.6 -18.6 54.7 103.7 204 207 A L H < S+ 0 0 58 -4,-2.3 -2,-0.2 -5,-0.1 -1,-0.2 0.738 125.6 36.2 -83.6 -24.1 -21.1 55.2 100.8 205 208 A N H < S+ 0 0 113 -4,-2.3 2,-0.2 -5,-0.2 -3,-0.2 0.609 92.3 89.3-112.0 -8.8 -22.4 51.5 100.5 206 209 A E S < S- 0 0 47 -4,-1.6 2,-1.1 -5,-0.3 16,-0.0 -0.577 74.5-122.2 -93.2 151.5 -22.7 50.0 103.9 207 210 A D - 0 0 118 -2,-0.2 16,-0.9 2,-0.0 2,-0.4 -0.775 40.5-159.6 -88.2 97.3 -25.6 50.1 106.2 208 211 A W E -E 222 0E 26 -2,-1.1 2,-0.4 14,-0.2 14,-0.2 -0.694 12.0-166.2 -91.7 132.8 -24.0 51.8 109.2 209 212 A K E -E 221 0E 115 12,-3.1 12,-2.6 -2,-0.4 2,-0.4 -0.927 20.0-129.2-112.6 133.0 -25.4 51.6 112.8 210 213 A L E +E 220 0E 76 -2,-0.4 2,-0.3 10,-0.2 10,-0.2 -0.670 42.7 157.4 -80.3 127.8 -24.2 53.9 115.7 211 214 A E E -E 219 0E 72 8,-2.7 8,-2.6 -2,-0.4 2,-0.3 -0.974 42.0-112.7-143.6 159.0 -23.3 51.8 118.8 212 215 A K E -E 218 0E 141 -2,-0.3 6,-0.2 6,-0.2 2,-0.2 -0.664 31.7-149.1 -84.2 148.9 -21.2 51.9 121.9 213 216 A N > - 0 0 23 4,-2.1 3,-2.1 -2,-0.3 4,-0.1 -0.538 38.1 -83.8-102.9-175.2 -18.2 49.6 122.2 214 217 A D T 3 S+ 0 0 149 1,-0.3 -30,-0.1 -2,-0.2 -2,-0.0 0.737 128.5 57.9 -64.9 -16.0 -16.7 48.0 125.3 215 218 A A T 3 S- 0 0 38 -32,-0.2 -1,-0.3 2,-0.2 3,-0.1 0.482 117.9-112.0 -87.4 3.6 -14.7 51.1 126.0 216 219 A N S < S+ 0 0 126 -3,-2.1 2,-0.3 1,-0.3 -2,-0.1 0.714 77.5 126.9 70.4 22.9 -17.9 53.2 126.2 217 220 A N - 0 0 52 -34,-0.2 -4,-2.1 -4,-0.1 2,-0.4 -0.819 60.5-114.3-104.9 153.5 -17.0 55.1 123.0 218 221 A E E +E 212 0E 90 -2,-0.3 2,-0.3 -6,-0.2 -6,-0.2 -0.680 37.7 165.4 -87.3 140.1 -19.2 55.4 120.0 219 222 A Q E -E 211 0E 6 -8,-2.6 -8,-2.7 -2,-0.4 2,-0.8 -0.986 39.2-111.2-145.0 159.5 -18.5 54.0 116.7 220 223 A W E -EF 210 228E 46 8,-2.4 8,-1.3 -2,-0.3 2,-0.3 -0.793 36.6-170.2 -93.8 104.0 -20.3 53.2 113.5 221 224 A D E -EF 209 227E 30 -12,-2.6 -12,-3.1 -2,-0.8 2,-0.3 -0.740 5.7-152.0 -97.1 133.8 -20.7 49.5 113.0 222 225 A S E > -E 208 0E 12 4,-2.7 3,-1.8 -2,-0.3 -14,-0.2 -0.726 28.7-113.0-101.9 164.9 -21.9 47.8 109.8 223 226 A K T 3 S+ 0 0 172 -16,-0.9 -1,-0.1 1,-0.3 -15,-0.1 0.868 114.3 64.2 -60.3 -32.8 -23.8 44.5 109.2 224 227 A S T 3 S- 0 0 64 -17,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.471 121.7-103.2 -70.2 -2.4 -20.6 43.2 107.4 225 228 A G S < S+ 0 0 53 -3,-1.8 2,-0.2 1,-0.3 -2,-0.1 0.600 80.6 128.3 89.3 9.4 -18.6 43.4 110.5 226 229 A Y - 0 0 46 -38,-0.1 -4,-2.7 -40,-0.1 -1,-0.3 -0.660 39.5-156.1 -95.2 157.4 -16.7 46.6 109.6 227 230 A M E -F 221 0E 2 -40,-3.0 2,-0.3 -2,-0.2 -6,-0.2 -0.854 10.0-170.0-129.9 158.7 -16.3 49.8 111.7 228 231 A H E -F 220 0E 0 -8,-1.3 -8,-2.4 -2,-0.3 -40,-0.0 -0.990 24.3-116.2-144.7 153.0 -15.6 53.6 111.3 229 232 A L > - 0 0 16 -2,-0.3 4,-2.5 -10,-0.2 3,-0.5 -0.583 31.0-109.9 -78.7 156.8 -14.9 56.4 113.7 230 233 A P H > S+ 0 0 22 0, 0.0 4,-2.6 0, 0.0 -85,-0.2 0.921 122.1 54.0 -47.4 -45.7 -17.2 59.6 114.3 231 234 A T H > S+ 0 0 12 -87,-2.1 4,-0.6 1,-0.2 -86,-0.1 0.867 109.6 46.3 -63.8 -31.5 -14.4 61.6 112.5 232 235 A D H >4 S+ 0 0 0 -3,-0.5 3,-1.3 -88,-0.2 -1,-0.2 0.932 109.6 52.8 -72.1 -44.4 -14.6 59.3 109.5 233 236 A Y H >X S+ 0 0 45 -4,-2.5 3,-2.5 1,-0.2 4,-0.9 0.909 96.8 71.6 -56.8 -39.7 -18.4 59.3 109.4 234 237 A S H >X S+ 0 0 0 -4,-2.6 4,-1.6 1,-0.3 3,-0.6 0.813 81.5 72.2 -38.6 -38.5 -18.1 63.2 109.3 235 238 A L H << S+ 0 0 0 -3,-1.3 10,-0.3 -4,-0.6 -1,-0.3 0.569 103.5 38.5 -68.5 -10.4 -16.8 63.0 105.8 236 239 A I H <4 S+ 0 0 35 -3,-2.5 -1,-0.3 -4,-0.2 -2,-0.2 0.545 110.0 60.5-109.6 -11.5 -20.3 62.1 104.5 237 240 A Q H << S+ 0 0 115 -4,-0.9 -2,-0.2 -3,-0.6 -3,-0.1 0.695 96.2 71.0 -79.5 -22.7 -22.2 64.5 106.9 238 241 A D S X S- 0 0 25 -4,-1.6 4,-2.8 1,-0.1 5,-0.2 -0.867 76.5-146.0 -94.5 130.0 -20.4 67.5 105.4 239 242 A P H > S+ 0 0 101 0, 0.0 4,-1.4 0, 0.0 -1,-0.1 0.828 98.8 47.8 -67.2 -34.7 -21.4 68.5 101.8 240 243 A K H > S+ 0 0 113 2,-0.2 4,-1.0 3,-0.1 3,-0.5 0.986 116.4 43.5 -69.4 -49.6 -18.0 69.7 100.7 241 244 A Y H >> S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 3,-1.2 0.965 109.4 60.0 -58.2 -45.3 -16.3 66.5 102.1 242 245 A L H 3X S+ 0 0 48 -4,-2.8 4,-2.1 1,-0.3 -1,-0.2 0.811 98.6 53.9 -55.3 -39.8 -19.0 64.3 100.6 243 246 A S H 3X S+ 0 0 70 -4,-1.4 4,-1.1 -3,-0.5 -1,-0.3 0.869 111.1 47.4 -67.9 -25.9 -18.5 65.3 97.0 244 247 A I H S+ 0 0 64 -2,-0.3 4,-2.7 -3,-0.2 5,-0.2 0.844 85.1 58.1 -64.2 -32.9 -9.2 55.0 92.5 253 256 A D H > S+ 0 0 99 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.963 106.1 48.4 -63.9 -43.2 -6.5 56.5 90.1 254 257 A K H > S+ 0 0 62 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.928 112.4 50.5 -57.7 -46.5 -7.6 60.1 91.0 255 258 A F H X S+ 0 0 0 -4,-2.0 4,-2.6 -7,-0.2 -2,-0.2 0.925 109.7 49.0 -56.4 -50.5 -7.5 58.9 94.7 256 259 A F H X S+ 0 0 25 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.919 112.6 49.0 -55.0 -46.1 -3.9 57.5 94.3 257 260 A K H X S+ 0 0 106 -4,-2.6 4,-2.1 1,-0.2 5,-0.2 0.969 116.1 41.4 -57.9 -51.6 -2.7 60.7 92.6 258 261 A D H X S+ 0 0 12 -4,-2.6 4,-2.4 -5,-0.2 5,-0.2 0.886 113.6 52.0 -69.4 -36.0 -4.1 63.0 95.3 259 262 A F H X S+ 0 0 2 -4,-2.6 4,-2.5 -5,-0.2 5,-0.3 0.924 109.0 52.6 -62.7 -43.2 -3.0 60.7 98.2 260 263 A S H X S+ 0 0 17 -4,-2.2 4,-2.1 -5,-0.2 5,-0.3 0.973 112.2 43.7 -57.5 -53.8 0.5 60.7 96.8 261 264 A K H X S+ 0 0 128 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.953 117.9 45.1 -55.8 -48.9 0.7 64.6 96.7 262 265 A A H X S+ 0 0 1 -4,-2.4 4,-2.1 -5,-0.2 -1,-0.2 0.819 111.1 50.9 -70.5 -31.1 -0.9 65.0 100.1 263 266 A F H X S+ 0 0 4 -4,-2.5 4,-2.2 -5,-0.2 -1,-0.2 0.928 110.8 48.6 -74.8 -42.0 1.1 62.4 102.0 264 267 A E H X S+ 0 0 34 -4,-2.1 4,-2.2 -5,-0.3 5,-0.2 0.974 112.1 50.6 -59.4 -46.0 4.5 63.8 100.7 265 268 A K H X S+ 0 0 61 -4,-2.3 4,-1.0 -5,-0.3 -2,-0.2 0.928 109.4 50.7 -56.7 -42.4 3.3 67.3 101.8 266 269 A L H < S+ 0 0 2 -4,-2.1 3,-0.3 1,-0.2 -203,-0.3 0.889 112.7 45.8 -59.4 -43.9 2.4 66.0 105.2 267 270 A L H < S+ 0 0 3 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.735 116.1 46.3 -72.8 -26.3 5.9 64.4 105.5 268 271 A E H >< S+ 0 0 36 -4,-2.2 3,-1.6 -5,-0.2 -1,-0.2 0.478 79.6 127.2 -94.1 -3.5 7.7 67.5 104.3 269 272 A N T 3< S+ 0 0 19 -4,-1.0 -205,-0.4 -3,-0.3 -206,-0.4 -0.286 75.4 18.0 -60.0 135.4 5.9 70.2 106.3 270 273 A G T 3 S+ 0 0 12 1,-0.2 2,-0.5 -208,-0.1 -1,-0.2 0.486 100.1 113.9 86.7 3.4 8.1 72.5 108.3 271 274 A I < - 0 0 19 -3,-1.6 2,-0.5 -269,-0.1 -1,-0.2 -0.911 53.2-151.5-117.8 127.5 11.2 71.6 106.2 272 275 A T B -a 4 0A 71 -269,-3.2 -267,-2.8 -2,-0.5 -3,-0.0 -0.846 10.1-157.1 -94.4 126.9 13.1 74.0 104.0 273 276 A F - 0 0 45 -2,-0.5 -267,-0.1 -269,-0.2 -269,-0.1 -0.878 9.7-141.2-105.8 116.9 14.9 72.4 101.0 274 277 A P > - 0 0 38 0, 0.0 3,-1.9 0, 0.0 0, 0.0 -0.431 24.7-119.4 -65.9 148.9 17.9 74.4 99.4 275 278 A K T 3 S+ 0 0 189 1,-0.3 4,-0.1 -2,-0.0 -2,-0.0 0.441 114.2 65.8 -79.8 11.0 17.9 74.1 95.6 276 279 A D T 3 S+ 0 0 147 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.654 83.7 104.3 -83.9 -19.1 21.3 72.5 95.7 277 280 A A S < S- 0 0 17 -3,-1.9 -4,-0.0 1,-0.1 -151,-0.0 -0.200 86.2 -98.0 -53.7 143.9 19.4 69.6 97.5 278 281 A P - 0 0 54 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.309 42.1 -99.2 -60.8 151.2 18.7 66.5 95.4 279 282 A S - 0 0 92 1,-0.1 -156,-0.1 -3,-0.1 2,-0.0 -0.226 57.6 -75.4 -52.4 159.2 15.2 66.1 93.7 280 283 A P - 0 0 46 0, 0.0 2,-0.3 0, 0.0 -156,-0.2 -0.370 53.8-121.1 -59.8 134.8 12.7 63.8 95.6 281 284 A F B -C 123 0C 28 -158,-3.4 -158,-2.1 -3,-0.1 2,-0.7 -0.632 13.7-152.6 -76.2 137.7 13.6 60.1 95.1 282 285 A I - 0 0 78 -2,-0.3 2,-0.1 -160,-0.2 -162,-0.0 -0.883 23.6-147.4-107.1 102.1 11.2 57.7 93.5 283 286 A F - 0 0 0 -2,-0.7 2,-0.2 -162,-0.4 -162,-0.1 -0.444 6.9-125.9 -74.8 137.7 12.0 54.3 95.0 284 287 A K - 0 0 106 -2,-0.1 2,-0.1 1,-0.1 -1,-0.1 -0.542 26.4-120.3 -73.6 144.2 11.7 51.0 93.1 285 288 A T > - 0 0 20 -2,-0.2 4,-1.6 1,-0.1 3,-0.3 -0.476 25.5-107.1 -74.7 158.9 9.6 48.2 94.7 286 289 A L H >>>S+ 0 0 1 1,-0.2 5,-2.5 2,-0.2 4,-0.8 0.963 123.9 52.0 -45.4 -45.6 11.1 44.7 95.5 287 290 A E H >45S+ 0 0 159 1,-0.3 3,-0.5 2,-0.2 -1,-0.2 0.855 105.6 52.7 -63.8 -36.7 9.1 43.4 92.7 288 291 A E H 345S+ 0 0 105 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.2 0.833 113.0 45.2 -69.9 -26.4 10.5 46.0 90.2 289 292 A Q H <<5S- 0 0 59 -4,-1.6 -1,-0.2 -3,-0.6 -2,-0.2 0.492 114.1-117.6 -90.9 -5.0 14.1 45.1 91.3 290 293 A G T <<5 0 0 68 -4,-0.8 -3,-0.2 -3,-0.5 -4,-0.1 0.817 360.0 360.0 72.2 27.7 13.3 41.3 91.0 291 294 A L < 0 0 103 -5,-2.5 -1,-0.2 -6,-0.2 -2,-0.1 -0.552 360.0 360.0-109.3 360.0 14.0 40.8 94.7