==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 29-AUG-02 1MKR . COMPND 2 MOLECULE: CYTOCHROME C PEROXIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR B.BHASKAR,C.E.IMMOOS,H.SHIMIZU,P.J.FARMER,T.L.POULOS . 294 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13594.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 189 64.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 2.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 16 5.4 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 14.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 104 35.4 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 3 0 0 0 3 1 0 1 1 0 1 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 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 . 3 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 1 A T 0 0 188 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 137.1 21.9 51.2 53.6 2 2 A T - 0 0 120 1,-0.1 59,-0.1 0, 0.0 2,-0.0 -0.275 360.0 -88.4 -58.6 138.0 25.0 51.6 51.4 3 3 A P - 0 0 82 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.269 47.4-137.2 -51.9 121.8 26.0 48.5 49.4 4 4 A L - 0 0 53 57,-0.7 2,-0.4 -3,-0.1 0, 0.0 -0.618 7.0-137.1 -86.7 141.5 28.3 46.4 51.5 5 5 A V - 0 0 105 -2,-0.3 2,-0.7 269,-0.0 269,-0.1 -0.838 10.4-156.8 -99.9 133.1 31.4 44.7 50.0 6 6 A H E -a 274 0A 26 267,-0.6 269,-3.2 -2,-0.4 2,-0.5 -0.891 7.6-165.2-114.3 103.3 32.1 41.1 51.0 7 7 A V E -a 275 0A 70 -2,-0.7 269,-0.2 267,-0.2 2,-0.2 -0.744 25.9-117.4 -90.0 127.8 35.8 40.2 50.6 8 8 A A - 0 0 11 267,-2.7 2,-0.5 -2,-0.5 122,-0.2 -0.432 30.3-167.2 -63.7 129.8 36.6 36.5 50.7 9 9 A S - 0 0 76 120,-2.8 120,-0.2 -2,-0.2 3,-0.1 -0.950 20.2-127.0-125.7 110.2 38.8 35.7 53.7 10 10 A V - 0 0 54 -2,-0.5 3,-0.2 118,-0.2 5,-0.0 -0.285 36.0 -99.2 -56.3 129.9 40.4 32.2 53.7 11 11 A E > - 0 0 21 1,-0.2 3,-2.3 2,-0.1 -1,-0.1 -0.294 59.7 -86.0 -50.8 127.7 39.8 30.3 56.9 12 12 A K T 3 S- 0 0 196 1,-0.3 -1,-0.2 -3,-0.1 3,-0.1 -0.092 105.8 -5.5 -45.8 122.3 43.0 30.9 58.9 13 13 A G T 3 S+ 0 0 76 1,-0.2 2,-0.3 -3,-0.2 -1,-0.3 0.626 100.2 133.1 68.4 16.1 45.7 28.4 58.1 14 14 A R < + 0 0 85 -3,-2.3 2,-0.2 87,-0.1 -1,-0.2 -0.765 27.3 172.6-101.9 145.9 43.5 26.3 55.8 15 15 A S >> - 0 0 60 -2,-0.3 4,-1.5 -3,-0.1 3,-0.9 -0.775 51.7 -72.7-137.4-178.7 44.4 25.1 52.3 16 16 A Y H 3> S+ 0 0 83 1,-0.3 4,-2.2 -2,-0.2 5,-0.2 0.867 125.5 58.5 -44.5 -48.6 43.2 22.8 49.5 17 17 A E H 3> S+ 0 0 115 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.884 103.8 52.0 -51.4 -45.2 43.9 19.7 51.5 18 18 A D H <> S+ 0 0 26 -3,-0.9 4,-1.4 1,-0.2 -1,-0.2 0.918 111.5 45.4 -60.6 -45.4 41.7 20.8 54.3 19 19 A F H X S+ 0 0 0 -4,-1.5 4,-2.8 1,-0.2 -1,-0.2 0.815 107.2 57.4 -71.0 -29.5 38.7 21.4 52.1 20 20 A Q H X S+ 0 0 14 -4,-2.2 4,-2.9 -5,-0.2 -1,-0.2 0.859 105.0 53.9 -67.3 -33.0 39.2 18.2 50.2 21 21 A K H X S+ 0 0 103 -4,-1.6 4,-2.0 -5,-0.2 -1,-0.2 0.888 109.5 46.6 -66.8 -38.6 38.8 16.5 53.5 22 22 A V H X S+ 0 0 0 -4,-1.4 4,-2.5 2,-0.2 -2,-0.2 0.933 111.8 51.1 -67.3 -46.0 35.5 18.3 54.1 23 23 A Y H X S+ 0 0 0 -4,-2.8 4,-2.9 1,-0.2 -2,-0.2 0.939 110.8 49.7 -54.2 -48.8 34.4 17.3 50.6 24 24 A N H X S+ 0 0 23 -4,-2.9 4,-2.5 1,-0.2 -1,-0.2 0.869 108.1 52.3 -60.4 -39.0 35.3 13.7 51.4 25 25 A A H X S+ 0 0 12 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.934 112.6 45.3 -63.6 -44.3 33.4 13.8 54.6 26 26 A I H X S+ 0 0 0 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.930 114.4 48.8 -63.2 -45.7 30.3 15.0 52.8 27 27 A A H X S+ 0 0 2 -4,-2.9 4,-1.5 1,-0.2 -2,-0.2 0.853 110.5 50.6 -64.0 -37.0 30.8 12.5 50.0 28 28 A L H X S+ 0 0 78 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.877 110.9 48.2 -69.7 -37.1 31.2 9.6 52.4 29 29 A K H X S+ 0 0 53 -4,-2.0 4,-2.9 2,-0.2 -2,-0.2 0.838 107.3 56.5 -72.0 -31.8 28.0 10.6 54.3 30 30 A L H < S+ 0 0 22 -4,-2.0 12,-0.3 1,-0.2 -1,-0.2 0.888 110.6 45.2 -63.9 -37.5 26.2 10.8 51.0 31 31 A R H < S+ 0 0 128 -4,-1.5 3,-0.3 -5,-0.2 -2,-0.2 0.894 116.1 46.6 -71.3 -40.8 27.3 7.2 50.3 32 32 A E H < S+ 0 0 140 -4,-2.1 2,-1.9 1,-0.2 3,-0.3 0.921 104.4 57.1 -69.2 -50.0 26.3 6.1 53.9 33 33 A D >< + 0 0 46 -4,-2.9 3,-0.6 1,-0.2 9,-0.4 -0.398 67.9 145.9 -84.3 62.8 22.9 7.7 54.2 34 34 A D T 3 + 0 0 79 -2,-1.9 -1,-0.2 -3,-0.3 -2,-0.1 0.613 55.2 64.5 -75.5 -17.5 21.6 5.9 51.2 35 35 A E T 3> + 0 0 123 -3,-0.3 4,-2.0 4,-0.1 3,-0.5 0.677 69.6 123.8 -83.9 -17.6 18.0 5.3 52.3 36 36 A Y H <>>S+ 0 0 42 -3,-0.6 5,-2.7 1,-0.2 4,-1.1 -0.109 80.3 4.6 -49.1 135.5 16.9 9.0 52.5 37 37 A D H >45S- 0 0 36 1,-0.2 3,-1.0 2,-0.2 -1,-0.2 0.940 140.2 -46.6 52.9 57.2 13.8 9.9 50.4 38 38 A N H 345S- 0 0 147 -3,-0.5 -1,-0.2 1,-0.2 -2,-0.2 0.907 112.9 -50.7 51.7 49.4 13.1 6.4 49.2 39 39 A Y H 3<5S+ 0 0 142 -4,-2.0 -1,-0.2 1,-0.1 -2,-0.2 0.603 109.7 116.6 66.5 18.4 16.7 5.7 48.3 40 40 A I T <<5 - 0 0 16 -4,-1.1 3,-0.3 -3,-1.0 -3,-0.2 0.858 68.3-147.1 -77.0 -35.0 17.2 8.9 46.3 41 41 A G < - 0 0 9 -5,-2.7 4,-0.4 1,-0.2 -7,-0.1 -0.207 27.4 -70.2 91.3 171.8 19.8 9.9 48.9 42 42 A Y S > S+ 0 0 38 -9,-0.4 4,-1.8 -12,-0.3 5,-0.2 0.455 102.8 97.7 -81.9 -2.6 20.7 13.4 50.1 43 43 A G H > S+ 0 0 5 -3,-0.3 4,-1.7 1,-0.2 3,-0.3 0.940 84.1 44.1 -52.0 -56.9 22.4 14.5 46.9 44 44 A P H > S+ 0 0 14 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.924 112.6 49.6 -57.5 -48.7 19.5 16.4 45.4 45 45 A V H > S+ 0 0 17 -4,-0.4 4,-2.4 1,-0.2 -2,-0.2 0.819 108.8 54.5 -64.5 -27.0 18.4 18.2 48.5 46 46 A L H X S+ 0 0 2 -4,-1.8 4,-2.1 -3,-0.3 -1,-0.2 0.880 109.0 47.6 -71.8 -36.7 22.0 19.4 49.1 47 47 A V H X S+ 0 0 6 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.919 112.5 49.8 -68.2 -41.8 22.1 20.9 45.6 48 48 A R H X S+ 0 0 75 -4,-2.6 4,-3.3 1,-0.2 -2,-0.2 0.921 109.4 52.1 -61.2 -43.2 18.8 22.5 46.3 49 49 A L H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 5,-0.3 0.907 109.3 48.9 -60.3 -43.5 20.1 23.9 49.6 50 50 A A H X S+ 0 0 0 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.919 115.3 44.7 -63.3 -42.4 23.2 25.4 47.9 51 51 A W H X S+ 0 0 53 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.929 113.2 50.1 -67.4 -44.7 21.0 27.0 45.2 52 52 A Y H < S+ 0 0 8 -4,-3.3 4,-0.3 2,-0.2 -2,-0.2 0.926 112.1 46.0 -61.3 -48.3 18.4 28.3 47.7 53 53 A T H >< S+ 0 0 2 -4,-2.5 3,-0.8 1,-0.2 12,-0.6 0.903 119.4 40.8 -63.7 -40.9 20.9 29.9 50.0 54 54 A S H >< S+ 0 0 1 -4,-1.9 3,-1.7 -5,-0.3 -1,-0.2 0.829 105.3 67.7 -75.3 -30.4 22.8 31.5 47.1 55 55 A G T 3< S+ 0 0 0 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.484 80.7 77.2 -68.4 -3.8 19.6 32.4 45.3 56 56 A T T < S+ 0 0 2 -3,-0.8 -1,-0.3 -4,-0.3 -2,-0.1 0.573 73.0 118.3 -80.5 -9.7 18.7 34.9 48.1 57 57 A W < - 0 0 21 -3,-1.7 2,-0.4 7,-0.2 7,-0.2 -0.190 48.7-162.2 -61.7 146.0 21.1 37.3 46.5 58 58 A D B >>> -B 63 0B 31 5,-1.8 4,-1.5 1,-0.1 3,-0.8 -0.959 8.7-157.4-131.5 111.5 20.1 40.7 45.1 59 59 A K T 345S+ 0 0 90 101,-2.1 -1,-0.1 -2,-0.4 102,-0.1 0.756 86.9 69.0 -59.5 -26.0 22.6 42.3 42.7 60 60 A H T 345S+ 0 0 132 1,-0.2 -1,-0.2 100,-0.2 -3,-0.0 0.858 123.5 4.8 -64.7 -39.0 21.1 45.7 43.4 61 61 A D T <45S- 0 0 58 -3,-0.8 -57,-0.7 2,-0.1 -1,-0.2 0.243 96.2-118.2-130.1 10.7 22.3 46.0 47.0 62 62 A N T <5 + 0 0 24 -4,-1.5 2,-0.3 1,-0.2 -3,-0.2 0.831 61.9 149.4 52.7 38.6 24.4 42.9 47.4 63 63 A T B < +B 58 0B 44 -5,-0.8 -5,-1.8 -7,-0.1 -1,-0.2 -0.684 50.2 9.3 -96.0 154.6 22.2 41.5 50.2 64 64 A G S S+ 0 0 12 -2,-0.3 3,-0.2 -7,-0.2 -7,-0.2 -0.289 73.2 121.5 74.2-162.8 21.7 37.8 50.6 65 65 A G S S- 0 0 2 -12,-0.6 4,-0.4 -13,-0.2 3,-0.2 -0.323 79.9 -65.1 94.4 178.2 23.8 35.3 48.7 66 66 A S S S+ 0 0 1 206,-0.4 3,-0.5 203,-0.3 -1,-0.2 0.699 108.6 86.9 -78.6 -22.0 26.1 32.6 50.0 67 67 A Y S S+ 0 0 22 205,-0.4 38,-0.3 -3,-0.2 -1,-0.2 0.888 90.8 38.8 -46.1 -61.6 28.7 34.8 51.7 68 68 A G S S- 0 0 12 -4,-0.2 65,-1.7 -3,-0.2 -1,-0.2 0.725 81.1-154.1 -67.6 -24.7 27.1 35.3 55.2 69 69 A G + 0 0 8 -3,-0.5 2,-0.5 -4,-0.4 -1,-0.1 0.699 58.1 118.2 56.8 18.8 25.8 31.8 55.6 70 70 A T + 0 0 28 66,-0.2 68,-1.9 63,-0.1 2,-0.3 -0.950 36.1 156.9-123.3 114.2 23.3 33.4 57.9 71 71 A Y E -c 138 0C 33 -2,-0.5 2,-0.5 66,-0.2 66,-0.0 -0.899 35.1-147.3-135.4 162.4 19.6 33.1 57.1 72 72 A R E -c 139 0C 129 66,-1.4 68,-1.7 -2,-0.3 69,-0.5 -0.953 25.3-149.0-129.8 107.7 16.1 33.2 58.6 73 73 A F > - 0 0 21 -2,-0.5 3,-2.3 66,-0.2 5,-0.1 -0.642 25.2-102.6 -85.8 134.1 13.6 30.9 56.8 74 74 A K G >> S- 0 0 73 -2,-0.4 3,-1.1 1,-0.3 4,-0.6 -0.210 103.3 -3.5 -52.6 133.2 9.9 31.8 56.6 75 75 A K G 34 S- 0 0 109 1,-0.2 3,-0.5 2,-0.2 -1,-0.3 0.692 118.7 -83.1 53.7 20.2 7.8 29.7 59.1 76 76 A E G <4 S- 0 0 128 -3,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.941 96.5 -37.3 49.1 56.5 11.0 27.9 59.9 77 77 A F T <4 S+ 0 0 47 -3,-1.1 7,-0.3 1,-0.1 -1,-0.3 0.611 116.9 112.1 73.0 14.9 10.7 25.5 57.0 78 78 A N < + 0 0 122 -4,-0.6 -3,-0.1 -3,-0.5 -2,-0.1 -0.111 56.3 90.9-107.5 33.9 6.9 25.3 57.3 79 79 A D S >> S- 0 0 20 -5,-0.3 4,-2.5 1,-0.1 3,-0.9 -0.966 84.3-120.2-129.3 144.5 6.3 27.2 54.1 80 80 A P T 34 S+ 0 0 82 0, 0.0 -1,-0.1 0, 0.0 104,-0.0 0.716 111.3 60.6 -55.0 -20.2 5.8 25.8 50.5 81 81 A S T 34 S+ 0 0 43 1,-0.1 104,-0.1 -7,-0.0 103,-0.0 0.869 122.8 12.5 -77.4 -38.9 8.9 27.9 49.5 82 82 A N T X4 S+ 0 0 0 -3,-0.9 3,-2.1 -8,-0.2 4,-0.3 0.426 85.3 132.9-120.4 -2.7 11.5 26.3 51.8 83 83 A A T 3< S+ 0 0 8 -4,-2.5 -5,-0.1 101,-0.4 -6,-0.1 -0.284 73.7 28.6 -54.8 130.0 9.9 23.2 53.2 84 84 A G T >> S+ 0 0 1 -7,-0.3 3,-1.8 99,-0.1 4,-0.5 -0.045 88.2 100.2 109.4 -30.8 12.3 20.3 52.9 85 85 A L H X> + 0 0 0 -3,-2.1 4,-1.7 1,-0.3 3,-0.8 0.740 68.0 74.4 -60.8 -22.5 15.5 22.3 53.1 86 86 A Q H 3> S+ 0 0 49 -4,-0.3 4,-2.4 1,-0.3 -1,-0.3 0.799 86.9 62.9 -62.5 -26.2 15.9 21.3 56.8 87 87 A N H <> S+ 0 0 35 -3,-1.8 4,-1.8 1,-0.2 -1,-0.3 0.872 103.5 47.9 -65.6 -36.2 16.9 17.8 55.7 88 88 A G H S+ 0 0 53 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.831 112.0 54.9 -60.5 -29.0 27.6 16.4 61.7 95 95 A I H > S+ 0 0 6 -4,-0.5 4,-1.8 2,-0.2 -2,-0.2 0.925 107.5 48.7 -68.2 -43.3 30.0 17.6 59.0 96 96 A H H < S+ 0 0 49 -4,-2.4 -1,-0.2 1,-0.2 6,-0.2 0.844 109.1 53.9 -65.3 -33.1 30.3 21.0 60.5 97 97 A K H < S+ 0 0 161 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.881 108.7 48.0 -69.2 -36.8 30.9 19.4 63.9 98 98 A E H < S+ 0 0 130 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.823 126.1 30.2 -71.7 -30.8 33.8 17.4 62.5 99 99 A F >< + 0 0 20 -4,-1.8 3,-1.6 -5,-0.1 -1,-0.3 -0.589 69.6 164.6-127.7 69.8 35.2 20.5 60.8 100 100 A P T 3 + 0 0 98 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.689 68.4 70.4 -60.1 -18.5 34.2 23.4 63.1 101 101 A W T 3 S+ 0 0 58 -3,-0.1 2,-0.2 -4,-0.1 -89,-0.1 0.688 76.9 94.1 -74.9 -19.3 36.7 25.8 61.4 102 102 A I S < S- 0 0 3 -3,-1.6 -3,-0.1 -6,-0.2 2,-0.0 -0.536 80.1-116.8 -78.9 139.6 34.8 26.0 58.1 103 103 A S > - 0 0 15 -2,-0.2 4,-2.2 27,-0.2 5,-0.1 -0.339 20.6-118.9 -70.0 155.3 32.4 28.9 57.6 104 104 A S H > S+ 0 0 19 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.895 114.1 52.7 -62.9 -40.3 28.7 28.1 57.2 105 105 A G H > S+ 0 0 0 -38,-0.3 4,-2.1 1,-0.2 5,-0.3 0.907 109.7 48.2 -62.5 -42.6 28.6 29.7 53.7 106 106 A D H > S+ 0 0 0 24,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.905 113.1 48.8 -64.6 -39.6 31.5 27.6 52.6 107 107 A L H X S+ 0 0 0 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.927 111.1 48.0 -67.0 -45.4 29.9 24.5 54.0 108 108 A F H X S+ 0 0 24 -4,-2.8 4,-1.1 2,-0.2 -2,-0.2 0.934 118.0 40.8 -61.9 -46.3 26.5 25.1 52.4 109 109 A S H X S+ 0 0 0 -4,-2.1 4,-2.0 -5,-0.2 3,-0.3 0.896 113.4 53.3 -70.6 -38.9 27.9 25.8 48.9 110 110 A L H X S+ 0 0 0 -4,-2.5 4,-3.0 -5,-0.3 5,-0.2 0.845 102.2 61.0 -64.2 -31.9 30.5 23.0 49.2 111 111 A G H X S+ 0 0 0 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.903 106.1 46.1 -61.1 -39.3 27.7 20.7 49.9 112 112 A G H X S+ 0 0 0 -4,-1.1 4,-2.5 -3,-0.3 -2,-0.2 0.924 112.9 48.4 -68.8 -45.1 26.2 21.5 46.6 113 113 A V H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 5,-0.2 0.929 113.0 48.3 -60.4 -46.3 29.4 21.1 44.7 114 114 A T H X S+ 0 0 0 -4,-3.0 4,-2.9 1,-0.2 5,-0.3 0.928 111.2 50.5 -60.7 -45.7 30.2 17.8 46.4 115 115 A A H X S+ 0 0 0 -4,-2.2 4,-1.7 -5,-0.2 6,-0.2 0.935 110.3 48.7 -59.5 -48.4 26.7 16.5 45.6 116 116 A V H <>S+ 0 0 0 -4,-2.5 5,-2.6 1,-0.2 82,-0.3 0.939 115.7 43.6 -59.0 -47.4 26.9 17.4 41.9 117 117 A Q H ><5S+ 0 0 5 -4,-2.3 3,-1.7 1,-0.2 -2,-0.2 0.921 112.1 51.0 -66.7 -43.0 30.3 15.8 41.5 118 118 A E H 3<5S+ 0 0 49 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.794 104.8 58.8 -65.9 -26.1 29.5 12.6 43.5 119 119 A M T 3<5S- 0 0 15 -4,-1.7 79,-3.1 -5,-0.3 -1,-0.3 0.129 128.6 -99.5 -88.4 21.6 26.4 12.2 41.4 120 120 A Q T < 5S+ 0 0 130 -3,-1.7 -3,-0.2 77,-0.2 -2,-0.2 0.685 79.0 139.2 71.7 22.1 28.7 12.1 38.3 121 121 A G < - 0 0 14 -5,-2.6 -1,-0.1 -6,-0.2 3,-0.1 -0.086 60.5 -65.9 -82.8-172.0 28.1 15.7 37.3 122 122 A P - 0 0 12 0, 0.0 2,-0.2 0, 0.0 -1,-0.2 -0.322 57.4 -94.2 -73.8 159.5 30.7 18.1 36.0 123 123 A K - 0 0 69 -3,-0.1 164,-0.1 -6,-0.1 162,-0.0 -0.562 39.2-154.6 -71.6 137.0 33.6 19.3 38.1 124 124 A I - 0 0 0 -2,-0.2 162,-0.3 -11,-0.1 -7,-0.1 -0.945 12.3-133.2-117.1 110.2 32.6 22.6 39.7 125 125 A P - 0 0 29 0, 0.0 2,-0.4 0, 0.0 160,-0.2 -0.372 30.1-165.7 -60.2 141.3 35.5 24.9 40.7 126 126 A W B -D 284 0D 2 158,-2.6 158,-3.2 145,-0.0 2,-0.4 -0.989 11.5-155.4-135.6 141.0 34.9 26.2 44.2 127 127 A R - 0 0 52 -2,-0.4 3,-0.2 156,-0.2 2,-0.1 -0.931 8.8-145.4-119.4 141.1 36.5 29.0 46.2 128 128 A C + 0 0 7 -2,-0.4 -118,-0.2 1,-0.1 -120,-0.0 -0.399 58.9 89.5 -93.2 173.3 36.7 29.3 50.0 129 129 A G + 0 0 0 1,-0.3 -120,-2.8 -120,-0.2 -1,-0.1 0.390 40.3 145.6 121.5 -5.7 36.5 32.5 52.0 130 130 A R - 0 0 3 -3,-0.2 2,-0.5 -122,-0.2 -1,-0.3 -0.424 37.9-146.8 -63.7 140.5 32.9 33.1 52.8 131 131 A V - 0 0 53 -64,-0.1 -1,-0.1 -28,-0.1 -121,-0.0 -0.957 13.2-117.0-118.7 127.1 32.6 34.7 56.3 132 132 A D - 0 0 64 -2,-0.5 -63,-0.2 -63,-0.1 -64,-0.1 -0.335 24.1-168.2 -58.8 132.5 29.8 34.1 58.8 133 133 A T > + 0 0 26 -65,-1.7 3,-2.0 3,-0.2 -1,-0.1 -0.658 15.6 167.7-124.6 73.7 27.9 37.3 59.5 134 134 A P T 3 S+ 0 0 103 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 0.735 79.6 56.8 -58.6 -22.7 25.7 36.4 62.5 135 135 A E T 3 S+ 0 0 189 1,-0.2 2,-0.5 -3,-0.1 -2,-0.0 0.588 105.0 55.8 -84.8 -11.7 24.9 40.1 62.9 136 136 A D S < S- 0 0 70 -3,-2.0 2,-0.3 -68,-0.1 -66,-0.2 -0.828 73.0-179.1-125.7 92.0 23.6 40.3 59.3 137 137 A T - 0 0 47 -2,-0.5 -66,-0.2 -3,-0.2 -68,-0.0 -0.692 16.5-147.9 -94.1 143.4 20.8 37.8 58.7 138 138 A T E -c 71 0C 14 -68,-1.9 -66,-1.4 -2,-0.3 2,-0.2 -0.927 9.6-146.3-114.0 111.5 19.0 37.4 55.4 139 139 A P E -c 72 0C 42 0, 0.0 -66,-0.2 0, 0.0 -69,-0.0 -0.523 6.3-146.4 -72.6 141.6 15.3 36.4 55.5 140 140 A D >> + 0 0 1 -68,-1.7 3,-2.7 -2,-0.2 4,-0.7 0.627 52.3 136.8 -83.7 -11.3 14.4 34.2 52.5 141 141 A N T 34 S- 0 0 82 -69,-0.5 -68,-0.0 1,-0.3 -69,-0.0 -0.062 84.0 -16.9 -41.5 115.3 10.9 35.7 52.4 142 142 A G T 34 S+ 0 0 80 1,-0.1 -1,-0.3 2,-0.0 4,-0.1 0.587 109.3 105.7 61.9 14.8 9.9 36.4 48.8 143 143 A R T <4 + 0 0 49 -3,-2.7 -2,-0.1 2,-0.1 -1,-0.1 0.660 65.2 67.2 -98.0 -18.3 13.4 36.1 47.5 144 144 A L S < S- 0 0 18 -4,-0.7 -88,-0.1 1,-0.1 -2,-0.0 -0.717 93.5 -91.3-100.4 155.3 13.2 32.8 45.8 145 145 A P - 0 0 47 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.283 28.0-124.7 -70.0 146.5 11.1 32.1 42.7 146 146 A D - 0 0 81 1,-0.1 3,-0.3 -4,-0.1 -65,-0.0 -0.547 13.0-145.4 -81.7 153.3 7.5 30.9 42.6 147 147 A A S S+ 0 0 22 -2,-0.2 87,-1.3 1,-0.2 88,-0.2 0.567 87.4 71.4 -97.8 -10.4 6.9 27.7 40.5 148 148 A D S S+ 0 0 92 85,-0.2 -1,-0.2 84,-0.1 2,-0.2 0.051 83.7 98.6 -94.7 27.6 3.4 28.6 39.1 149 149 A K - 0 0 66 -3,-0.3 88,-0.2 1,-0.1 2,-0.1 -0.486 65.3-113.7-109.8 178.6 4.7 31.3 36.8 150 150 A D > - 0 0 81 -2,-0.2 4,-2.2 86,-0.1 5,-0.1 -0.321 40.1 -85.1-103.3-174.4 5.7 31.7 33.1 151 151 A A H > S+ 0 0 8 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.849 124.1 55.1 -60.9 -38.4 8.8 32.4 31.0 152 152 A D H > S+ 0 0 105 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.904 109.2 48.3 -63.5 -39.5 8.6 36.2 31.4 153 153 A Y H > S+ 0 0 58 2,-0.2 4,-3.0 1,-0.2 -2,-0.2 0.930 112.4 48.5 -64.7 -46.1 8.5 35.7 35.2 154 154 A V H X S+ 0 0 6 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.943 112.1 48.4 -59.8 -48.9 11.5 33.4 35.1 155 155 A R H X S+ 0 0 39 -4,-2.8 4,-0.8 1,-0.2 -1,-0.2 0.932 115.6 43.6 -58.6 -48.2 13.6 35.7 32.9 156 156 A T H >X S+ 0 0 91 -4,-2.3 3,-1.0 -5,-0.2 4,-0.7 0.934 111.4 54.4 -64.7 -45.7 12.9 38.7 35.0 157 157 A F H >< S+ 0 0 21 -4,-3.0 3,-1.6 1,-0.3 4,-0.4 0.940 107.2 49.8 -53.2 -52.6 13.5 36.9 38.3 158 158 A F H ><>S+ 0 0 10 -4,-2.4 5,-2.3 1,-0.3 3,-0.8 0.652 93.3 74.1 -65.8 -14.4 16.9 35.6 37.3 159 159 A Q H X<5S+ 0 0 97 -3,-1.0 3,-1.4 -4,-0.8 -1,-0.3 0.831 90.0 60.8 -66.6 -26.6 18.0 39.1 36.2 160 160 A R T <<5S+ 0 0 42 -3,-1.6 -101,-2.1 -4,-0.7 -1,-0.3 0.770 105.6 46.3 -69.0 -24.2 18.2 39.8 39.9 161 161 A L T < 5S- 0 0 0 -3,-0.8 -1,-0.3 -4,-0.4 -2,-0.2 0.234 119.2-114.6 -99.3 11.4 20.8 37.1 40.2 162 162 A N T < 5 + 0 0 84 -3,-1.4 2,-0.4 1,-0.2 -3,-0.2 0.861 67.8 144.3 56.4 42.0 22.6 38.5 37.1 163 163 A M < - 0 0 7 -5,-2.3 -1,-0.2 -8,-0.1 -2,-0.1 -0.908 35.4-152.5-111.8 137.3 21.8 35.4 35.0 164 164 A N > - 0 0 87 -2,-0.4 4,-2.6 -5,-0.0 5,-0.2 -0.315 41.0 -80.8 -95.4-175.9 21.1 35.5 31.3 165 165 A D H > S+ 0 0 38 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.898 128.9 45.7 -52.6 -49.2 19.0 33.1 29.2 166 166 A R H > S+ 0 0 80 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.889 113.6 49.8 -64.8 -38.8 21.7 30.5 28.7 167 167 A E H > S+ 0 0 41 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.891 111.3 49.5 -66.9 -39.7 22.6 30.6 32.4 168 168 A V H X S+ 0 0 1 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.940 113.0 45.5 -64.2 -48.8 19.0 30.2 33.5 169 169 A V H X S+ 0 0 0 -4,-2.4 4,-0.6 -5,-0.2 -2,-0.2 0.892 114.5 49.2 -63.7 -39.6 18.4 27.2 31.2 170 170 A A H >< S+ 0 0 0 -4,-2.3 3,-1.3 -5,-0.2 4,-0.2 0.947 111.0 48.9 -64.7 -49.0 21.7 25.6 32.3 171 171 A L H >< S+ 0 0 16 -4,-2.7 3,-1.9 1,-0.3 -2,-0.2 0.890 104.2 60.1 -59.2 -39.1 20.9 26.1 36.0 172 172 A M H >< S+ 0 0 21 -4,-2.2 3,-2.1 1,-0.3 -1,-0.3 0.702 84.6 79.6 -63.9 -18.8 17.4 24.6 35.6 173 173 A G G X< S+ 0 0 0 -3,-1.3 3,-1.5 -4,-0.6 29,-0.3 0.651 71.7 81.2 -63.4 -13.4 19.0 21.4 34.3 174 174 A A G X S+ 0 0 19 -3,-1.9 3,-2.2 1,-0.3 -1,-0.3 0.672 70.3 82.3 -66.0 -14.7 19.6 20.6 38.0 175 175 A H G < + 0 0 51 -3,-2.1 16,-0.4 1,-0.3 -1,-0.3 0.457 65.9 82.8 -71.0 2.5 16.0 19.5 38.1 176 176 A A G < S+ 0 0 1 -3,-1.5 2,-0.3 23,-0.2 -1,-0.3 0.784 85.7 81.5 -70.7 -21.8 17.2 16.2 36.7 177 177 A L S < S- 0 0 8 -3,-2.2 19,-0.2 -4,-0.2 18,-0.1 -0.618 98.2 -28.2 -89.9 139.7 17.9 15.6 40.4 178 178 A G S S- 0 0 2 17,-2.9 13,-0.6 -2,-0.3 14,-0.4 -0.278 74.4 -99.2 66.3-144.2 15.5 14.6 43.1 179 179 A K E -E 190 0E 43 11,-0.2 2,-0.3 12,-0.1 -3,-0.0 -0.979 24.4 -91.7-167.5 171.1 11.8 15.3 43.0 180 180 A T E -E 189 0E 9 9,-2.5 9,-2.1 -2,-0.3 2,-0.5 -0.751 35.7-148.7 -93.5 145.4 9.0 17.6 44.2 181 181 A H >>> - 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