==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 14-MAR-04 1SOG . COMPND 2 MOLECULE: CYTOCHROME C PEROXIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR T.P.BARROWS,B.BHASKAR,T.L.POULOS . 294 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13426.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 185 62.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 3 1.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 15 5.1 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 . 45 15.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 102 34.7 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 1 0 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 2 2 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 ANTIPARALLEL BRIDGES PER LADDER . 2 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 0 185 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 139.7 15.3 97.0 80.3 2 2 A T - 0 0 112 1,-0.1 59,-0.1 0, 0.0 0, 0.0 -0.242 360.0 -97.9 -55.2 133.2 14.0 93.5 80.3 3 3 A P - 0 0 75 0, 0.0 2,-0.2 0, 0.0 59,-0.2 -0.203 38.0-126.8 -54.8 138.2 14.3 91.8 76.9 4 4 A L - 0 0 106 57,-0.7 2,-0.5 -3,-0.1 0, 0.0 -0.585 9.6-137.0 -89.4 150.8 11.2 91.8 74.7 5 5 A V - 0 0 103 -2,-0.2 2,-0.7 2,-0.0 269,-0.1 -0.923 13.0-153.3-106.8 128.8 9.7 88.7 73.2 6 6 A H E -a 274 0A 30 267,-0.6 269,-3.5 -2,-0.5 2,-0.5 -0.878 9.2-163.4-108.0 104.1 8.6 89.1 69.5 7 7 A V E -a 275 0A 71 -2,-0.7 269,-0.2 267,-0.2 2,-0.1 -0.748 23.7-119.0 -90.2 125.3 5.7 86.7 68.7 8 8 A A - 0 0 10 267,-2.7 2,-0.5 -2,-0.5 122,-0.2 -0.406 29.9-167.9 -62.6 130.5 5.1 86.2 65.0 9 9 A S - 0 0 73 120,-2.7 120,-0.2 -2,-0.1 3,-0.1 -0.946 19.6-128.5-127.3 108.8 1.6 87.3 64.1 10 10 A V - 0 0 55 -2,-0.5 3,-0.2 118,-0.2 5,-0.0 -0.286 35.0-100.2 -56.9 130.4 0.2 86.3 60.6 11 11 A E > - 0 0 21 1,-0.2 3,-2.5 2,-0.1 -1,-0.1 -0.337 65.3 -76.7 -52.2 127.0 -1.1 89.3 58.7 12 12 A K T 3 S- 0 0 193 1,-0.3 -1,-0.2 -3,-0.1 89,-0.0 0.045 106.5 -14.7 -36.6 115.5 -4.9 88.9 59.2 13 13 A G T 3 S+ 0 0 72 1,-0.2 -1,-0.3 -3,-0.2 2,-0.1 0.430 98.7 138.5 70.1 1.5 -6.4 86.1 57.1 14 14 A R < + 0 0 84 -3,-2.5 2,-0.2 3,-0.1 -1,-0.2 -0.450 24.1 171.9 -81.1 151.4 -3.4 85.8 54.8 15 15 A S >> - 0 0 45 -2,-0.1 4,-1.5 -5,-0.0 3,-1.1 -0.792 51.6 -65.0-142.8-175.2 -2.0 82.5 53.6 16 16 A Y H 3> S+ 0 0 78 1,-0.3 4,-2.2 -2,-0.2 5,-0.2 0.842 126.2 56.8 -44.3 -47.2 0.6 81.1 51.2 17 17 A E H 3> S+ 0 0 119 1,-0.2 4,-1.4 2,-0.2 -1,-0.3 0.866 104.5 52.4 -57.1 -39.8 -1.2 82.3 48.1 18 18 A D H <> S+ 0 0 22 -3,-1.1 4,-1.3 1,-0.2 -1,-0.2 0.918 112.5 44.0 -64.5 -43.6 -1.1 85.9 49.3 19 19 A F H X S+ 0 0 0 -4,-1.5 4,-2.7 1,-0.2 -2,-0.2 0.818 107.2 58.4 -73.0 -29.3 2.7 85.9 49.9 20 20 A Q H X S+ 0 0 14 -4,-2.2 4,-2.8 -5,-0.2 -1,-0.2 0.846 104.6 53.8 -66.8 -31.2 3.4 84.1 46.6 21 21 A K H X S+ 0 0 116 -4,-1.4 4,-2.3 2,-0.2 -1,-0.2 0.901 109.1 46.7 -68.3 -40.2 1.7 87.1 44.9 22 22 A V H X S+ 0 0 0 -4,-1.3 4,-2.3 2,-0.2 -2,-0.2 0.927 112.4 50.8 -65.9 -44.3 4.0 89.5 46.7 23 23 A Y H X S+ 0 0 0 -4,-2.7 4,-3.0 1,-0.2 -2,-0.2 0.944 110.5 50.0 -56.1 -49.2 6.9 87.2 45.7 24 24 A N H X S+ 0 0 23 -4,-2.8 4,-2.9 1,-0.2 -1,-0.2 0.895 108.7 51.1 -58.4 -43.2 5.7 87.3 42.1 25 25 A A H X S+ 0 0 14 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.908 113.2 45.6 -61.9 -42.4 5.4 91.1 42.1 26 26 A I H X S+ 0 0 0 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.943 114.4 48.2 -64.8 -47.5 9.0 91.5 43.4 27 27 A A H X S+ 0 0 1 -4,-3.0 4,-1.7 1,-0.2 -2,-0.2 0.884 111.1 50.3 -61.0 -41.4 10.3 88.9 41.0 28 28 A L H X S+ 0 0 75 -4,-2.9 4,-2.0 1,-0.2 -1,-0.2 0.875 111.1 48.3 -66.9 -36.9 8.5 90.6 38.0 29 29 A K H X S+ 0 0 54 -4,-1.9 4,-2.8 2,-0.2 -1,-0.2 0.836 107.7 56.3 -71.9 -31.3 9.9 94.0 39.0 30 30 A L H < S+ 0 0 23 -4,-2.0 12,-0.3 1,-0.2 -2,-0.2 0.890 110.6 44.7 -64.2 -40.1 13.4 92.4 39.3 31 31 A R H < S+ 0 0 129 -4,-1.7 3,-0.4 -5,-0.2 -2,-0.2 0.885 116.0 47.6 -70.3 -39.4 13.0 91.2 35.7 32 32 A E H < S+ 0 0 137 -4,-2.0 2,-1.5 1,-0.2 3,-0.2 0.909 105.6 54.4 -70.2 -47.7 11.7 94.5 34.5 33 33 A D >< + 0 0 46 -4,-2.8 3,-0.6 1,-0.2 9,-0.4 -0.414 67.4 144.0 -88.4 61.9 14.2 96.9 36.0 34 34 A D T 3 + 0 0 82 -2,-1.5 -1,-0.2 -3,-0.4 -2,-0.1 0.559 54.2 69.3 -78.5 -10.4 17.2 95.2 34.5 35 35 A E T 3> + 0 0 126 -3,-0.2 4,-2.3 4,-0.1 3,-0.4 0.738 68.2 120.2 -81.4 -23.7 19.3 98.3 33.8 36 36 A Y H <>>S+ 0 0 44 -3,-0.6 5,-2.4 1,-0.2 4,-1.2 -0.062 81.1 5.6 -45.9 136.2 20.0 99.2 37.5 37 37 A D H >45S- 0 0 36 1,-0.2 3,-1.0 2,-0.2 -1,-0.2 0.943 140.2 -46.5 51.9 59.4 23.7 99.3 38.5 38 38 A N H 345S- 0 0 136 -3,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.907 113.1 -50.7 50.2 49.1 25.1 98.7 35.0 39 39 A Y H 3<5S+ 0 0 138 -4,-2.3 -1,-0.2 1,-0.1 -2,-0.2 0.658 108.5 119.3 66.0 21.4 22.7 95.9 34.3 40 40 A I T <<5 - 0 0 17 -4,-1.2 3,-0.3 -3,-1.0 -3,-0.2 0.863 67.2-143.0 -78.0 -36.3 23.4 93.9 37.5 41 41 A G < - 0 0 9 -5,-2.4 4,-0.4 1,-0.2 -7,-0.1 -0.178 27.0 -73.8 94.1 167.7 19.8 94.4 38.5 42 42 A Y S > S+ 0 0 42 -9,-0.4 4,-2.0 -12,-0.3 5,-0.2 0.453 102.8 99.9 -79.6 -0.5 18.3 94.9 41.9 43 43 A G H > S+ 0 0 5 -3,-0.3 4,-1.7 1,-0.2 3,-0.3 0.947 82.5 43.1 -50.1 -61.2 18.9 91.3 43.0 44 44 A P H > S+ 0 0 15 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.906 113.1 50.1 -54.3 -49.1 22.1 91.9 45.0 45 45 A V H > S+ 0 0 19 -4,-0.4 4,-2.2 1,-0.2 -2,-0.2 0.841 108.7 53.6 -64.1 -30.1 20.9 95.1 46.8 46 46 A L H X S+ 0 0 1 -4,-2.0 4,-2.1 -3,-0.3 -1,-0.2 0.872 109.0 49.2 -70.3 -35.8 17.7 93.4 47.9 47 47 A V H X S+ 0 0 7 -4,-1.7 4,-2.1 -5,-0.2 -2,-0.2 0.931 112.2 47.8 -67.7 -43.7 19.7 90.6 49.4 48 48 A R H X S+ 0 0 94 -4,-2.6 4,-3.0 1,-0.2 5,-0.2 0.880 109.6 53.5 -65.3 -35.6 21.9 93.0 51.2 49 49 A L H X S+ 0 0 1 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.930 108.2 49.9 -63.0 -44.5 18.8 94.9 52.4 50 50 A A H X S+ 0 0 0 -4,-2.1 4,-0.7 1,-0.2 -1,-0.2 0.905 114.5 45.3 -60.1 -41.5 17.4 91.7 53.9 51 51 A W H >X S+ 0 0 41 -4,-2.1 4,-3.6 1,-0.2 3,-0.5 0.935 113.4 46.9 -71.1 -45.0 20.7 91.0 55.6 52 52 A H H 3< S+ 0 0 5 -4,-3.0 4,-0.3 1,-0.2 -2,-0.2 0.826 110.8 52.1 -68.2 -30.0 21.3 94.4 57.1 53 53 A T H 3< S+ 0 0 5 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.708 120.6 35.7 -77.4 -17.1 17.7 94.8 58.3 54 54 A S H X< S+ 0 0 0 -4,-0.7 3,-1.5 -3,-0.5 -2,-0.2 0.753 104.9 70.9-100.2 -33.7 18.2 91.4 60.1 55 55 A G T 3< S+ 0 0 0 -4,-3.6 -2,-0.1 1,-0.3 -3,-0.1 0.426 78.1 76.8 -66.8 -2.3 21.9 91.8 61.0 56 56 A T T 3 S+ 0 0 4 -4,-0.3 -1,-0.3 -5,-0.1 -2,-0.1 0.512 70.7 123.3 -84.3 -5.6 21.3 94.4 63.7 57 57 A W < - 0 0 24 -3,-1.5 2,-0.5 7,-0.2 7,-0.2 -0.214 47.2-160.3 -60.1 143.1 20.0 91.7 66.0 58 58 A D B >>> -B 63 0B 30 5,-1.8 4,-1.8 1,-0.1 3,-1.2 -0.959 8.0-157.1-128.0 109.8 21.7 91.2 69.4 59 59 A K T 345S+ 0 0 87 101,-2.1 -1,-0.1 -2,-0.5 102,-0.1 0.722 87.5 68.9 -57.4 -24.0 21.1 87.7 70.9 60 60 A H T 345S+ 0 0 133 1,-0.2 -1,-0.2 100,-0.2 -3,-0.0 0.822 124.0 3.1 -68.8 -33.0 21.8 89.1 74.4 61 61 A D T <45S- 0 0 56 -3,-1.2 -57,-0.7 2,-0.1 -2,-0.2 0.277 94.0-117.3-137.5 10.4 18.7 91.3 74.7 62 62 A N T <5 + 0 0 27 -4,-1.8 2,-0.2 1,-0.2 -3,-0.2 0.731 63.2 147.1 57.6 26.8 16.7 90.6 71.5 63 63 A T B < +B 58 0B 49 -5,-0.6 -5,-1.8 -7,-0.1 -1,-0.2 -0.518 52.2 13.6 -86.2 161.8 17.0 94.2 70.3 64 64 A G S S+ 0 0 11 73,-0.5 4,-0.2 -7,-0.2 -7,-0.2 -0.326 76.6 125.0 70.5-158.5 17.3 94.9 66.6 65 65 A G S S- 0 0 4 -13,-0.2 5,-0.4 1,-0.1 4,-0.3 -0.180 75.2 -70.9 94.5 171.3 16.5 92.1 64.1 66 66 A S S > S+ 0 0 4 206,-0.5 3,-0.7 203,-0.3 -1,-0.1 0.693 107.0 85.5 -76.4 -22.9 14.1 91.7 61.2 67 67 A Y T 3 S+ 0 0 23 205,-0.4 38,-0.4 1,-0.2 -1,-0.2 0.875 91.3 40.5 -47.5 -54.0 10.9 91.6 63.3 68 68 A G T 3 S- 0 0 4 -3,-0.3 65,-1.5 -4,-0.2 -1,-0.2 0.624 88.0-139.5 -77.3 -15.5 10.2 95.4 63.6 69 69 A G X + 0 0 3 -3,-0.7 3,-1.3 -4,-0.3 -3,-0.1 0.862 41.3 161.0 58.0 37.3 11.1 96.6 60.1 70 70 A T G > + 0 0 5 -5,-0.4 3,-2.3 1,-0.3 6,-0.4 0.531 48.0 90.1 -69.3 -7.9 12.8 99.6 61.7 71 71 A Y G 3 S+ 0 0 1 1,-0.3 -1,-0.3 5,-0.1 6,-0.1 0.751 73.2 74.0 -61.3 -20.7 14.9 100.4 58.6 72 72 A R G < S+ 0 0 73 -3,-1.3 2,-0.4 4,-0.1 -1,-0.3 0.639 83.9 83.9 -67.7 -12.2 11.9 102.6 57.5 73 73 A F S X> S- 0 0 36 -3,-2.3 4,-2.7 1,-0.1 3,-0.9 -0.755 88.3-120.7 -96.4 140.8 13.0 105.1 60.2 74 74 A K H 3> S+ 0 0 145 -2,-0.4 4,-2.6 1,-0.2 -1,-0.1 0.768 105.3 62.1 -48.1 -39.9 15.7 107.7 59.5 75 75 A K H 34 S+ 0 0 77 1,-0.2 -1,-0.2 2,-0.2 -4,-0.1 0.938 118.1 29.2 -56.3 -46.2 18.1 106.6 62.3 76 76 A E H X4 S+ 0 0 3 -3,-0.9 3,-1.7 -6,-0.4 -2,-0.2 0.868 117.0 58.8 -80.0 -39.1 18.6 103.2 60.7 77 77 A F H 3< S+ 0 0 48 -4,-2.7 -2,-0.2 -7,-0.3 -3,-0.2 0.852 111.2 43.7 -58.0 -35.8 17.9 104.3 57.1 78 78 A N T 3< S+ 0 0 102 -4,-2.6 -1,-0.3 -5,-0.2 -2,-0.2 0.256 79.1 134.8 -96.4 11.8 20.8 106.8 57.4 79 79 A D X - 0 0 7 -3,-1.7 3,-2.2 1,-0.2 4,-0.2 -0.421 60.2-133.9 -60.2 128.6 23.2 104.3 59.1 80 80 A P G > S+ 0 0 99 0, 0.0 3,-1.5 0, 0.0 -1,-0.2 0.857 107.8 61.4 -54.4 -32.5 26.6 104.7 57.3 81 81 A S G 3 S+ 0 0 34 1,-0.3 -2,-0.1 63,-0.0 -3,-0.0 0.711 102.3 52.6 -66.0 -19.9 26.7 100.9 57.2 82 82 A N G X S+ 0 0 1 -3,-2.2 3,-2.3 -6,-0.2 4,-0.4 0.248 73.7 142.8-101.0 12.6 23.5 101.0 55.1 83 83 A A T < S+ 0 0 27 -3,-1.5 101,-0.1 1,-0.3 -5,-0.1 -0.342 72.3 21.5 -57.3 123.7 24.7 103.5 52.5 84 84 A G T > S+ 0 0 7 -2,-0.1 3,-1.5 99,-0.1 4,-0.4 0.065 92.3 100.8 106.4 -22.9 23.2 102.4 49.1 85 85 A L T X> + 0 0 1 -3,-2.3 4,-2.2 1,-0.3 3,-0.8 0.674 61.7 82.0 -69.6 -14.9 20.3 100.3 50.5 86 86 A Q H 3> S+ 0 0 51 -4,-0.4 4,-2.4 1,-0.3 -1,-0.3 0.810 85.7 60.5 -58.5 -27.5 18.0 103.2 49.8 87 87 A N H <> S+ 0 0 55 -3,-1.5 4,-1.4 2,-0.2 -1,-0.3 0.873 105.1 46.3 -66.8 -38.0 18.0 101.8 46.2 88 88 A G H <> S+ 0 0 0 -3,-0.8 4,-1.7 -4,-0.4 -2,-0.2 0.894 112.2 50.3 -71.0 -39.9 16.5 98.6 47.5 89 89 A F H X S+ 0 0 48 -4,-2.2 4,-1.0 1,-0.2 -2,-0.2 0.903 109.7 50.4 -64.8 -41.4 13.9 100.3 49.6 90 90 A K H < S+ 0 0 123 -4,-2.4 3,-0.3 1,-0.2 -1,-0.2 0.851 107.1 55.4 -65.8 -33.2 12.8 102.5 46.7 91 91 A F H < S+ 0 0 3 -4,-1.4 4,-0.4 1,-0.2 -1,-0.2 0.895 109.2 47.3 -64.9 -39.6 12.5 99.4 44.6 92 92 A L H X S+ 0 0 3 -4,-1.7 4,-2.6 1,-0.2 3,-0.3 0.644 89.3 86.9 -78.2 -15.2 10.1 97.9 47.2 93 93 A E H X S+ 0 0 91 -4,-1.0 4,-2.0 -3,-0.3 -1,-0.2 0.915 90.9 44.2 -52.6 -50.8 8.0 101.0 47.5 94 94 A P H > S+ 0 0 54 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.806 112.4 54.7 -66.6 -25.9 5.6 100.2 44.7 95 95 A I H > S+ 0 0 6 -4,-0.4 4,-2.0 -3,-0.3 -2,-0.2 0.924 109.5 45.8 -70.2 -45.0 5.4 96.6 45.9 96 96 A H H < S+ 0 0 48 -4,-2.6 -1,-0.2 1,-0.2 6,-0.2 0.847 109.6 56.1 -67.3 -32.2 4.4 97.7 49.4 97 97 A K H < S+ 0 0 161 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.2 0.880 110.6 43.9 -66.6 -38.0 1.9 100.1 47.8 98 98 A E H < S+ 0 0 129 -4,-1.6 -2,-0.2 1,-0.3 -1,-0.2 0.821 126.4 32.5 -75.9 -31.6 0.2 97.3 45.9 99 99 A F >< + 0 0 19 -4,-2.0 3,-1.4 1,-0.1 -1,-0.3 -0.605 69.7 161.9-124.9 70.0 0.3 95.0 49.0 100 100 A P T 3 + 0 0 94 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.663 66.1 71.8 -62.6 -18.5 -0.1 97.5 51.9 101 101 A W T 3 S+ 0 0 60 -3,-0.1 2,-0.2 2,-0.1 -89,-0.1 0.645 76.5 92.0 -74.9 -17.4 -1.2 94.7 54.2 102 102 A I S < S- 0 0 4 -3,-1.4 -3,-0.0 -6,-0.2 29,-0.0 -0.580 80.9-116.4 -81.8 142.3 2.3 93.1 54.5 103 103 A S > - 0 0 12 -2,-0.2 4,-2.0 27,-0.2 5,-0.1 -0.308 20.9-116.7 -71.6 160.3 4.5 94.3 57.4 104 104 A S H > S+ 0 0 8 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.907 115.4 51.2 -64.7 -41.8 7.8 96.1 56.6 105 105 A G H > S+ 0 0 1 -38,-0.4 4,-2.1 1,-0.2 5,-0.3 0.891 110.0 49.1 -63.2 -40.4 9.9 93.3 58.2 106 106 A D H > S+ 0 0 0 24,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.892 113.5 47.5 -66.4 -37.4 8.1 90.7 56.1 107 107 A L H X S+ 0 0 1 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.922 111.3 49.1 -70.0 -43.9 8.7 92.7 52.9 108 108 A F H X S+ 0 0 3 -4,-2.8 4,-1.1 2,-0.2 -2,-0.2 0.926 118.0 40.2 -61.5 -45.9 12.4 93.4 53.6 109 109 A S H X S+ 0 0 0 -4,-2.1 4,-2.0 -5,-0.2 3,-0.3 0.903 114.1 52.0 -71.3 -41.3 13.1 89.7 54.3 110 110 A L H X S+ 0 0 0 -4,-2.4 4,-2.9 -5,-0.3 5,-0.2 0.843 103.6 60.8 -63.8 -31.3 10.9 88.4 51.6 111 111 A G H X S+ 0 0 0 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.898 106.1 45.8 -61.3 -40.3 12.7 90.7 49.2 112 112 A G H X S+ 0 0 0 -4,-1.1 4,-2.2 -3,-0.3 -2,-0.2 0.907 113.0 49.0 -68.8 -43.1 16.0 88.9 50.0 113 113 A V H X S+ 0 0 1 -4,-2.0 4,-2.2 2,-0.2 5,-0.2 0.927 112.1 48.9 -61.4 -46.5 14.4 85.5 49.6 114 114 A T H X S+ 0 0 0 -4,-2.9 4,-2.8 1,-0.2 5,-0.2 0.918 110.6 50.7 -60.5 -45.3 12.9 86.4 46.3 115 115 A A H X S+ 0 0 0 -4,-2.0 4,-1.7 -5,-0.2 6,-0.2 0.916 110.0 49.3 -60.5 -46.2 16.1 87.8 44.9 116 116 A V H <>S+ 0 0 0 -4,-2.2 5,-2.6 1,-0.2 82,-0.2 0.943 115.3 43.4 -59.9 -48.9 18.2 84.7 45.9 117 117 A Q H ><5S+ 0 0 6 -4,-2.2 3,-1.4 1,-0.2 -2,-0.2 0.905 112.7 50.9 -65.4 -42.4 15.7 82.3 44.3 118 118 A E H 3<5S+ 0 0 48 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.799 104.2 59.3 -67.3 -26.2 15.1 84.4 41.1 119 119 A M T 3<5S- 0 0 15 -4,-1.7 79,-3.0 -5,-0.2 -1,-0.3 0.095 128.6 -98.4 -88.8 24.3 18.9 84.6 40.7 120 120 A Q T < 5S+ 0 0 132 -3,-1.4 -3,-0.2 77,-0.2 -2,-0.2 0.688 80.3 139.0 70.2 22.4 19.0 80.8 40.5 121 121 A G < - 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0 0 7 -5,-2.2 -1,-0.2 -8,-0.1 -2,-0.1 -0.908 35.2-152.7-111.1 134.8 26.2 82.1 63.9 164 164 A N > - 0 0 89 -2,-0.4 4,-2.6 -5,-0.0 5,-0.2 -0.256 40.9 -81.1 -93.0-174.5 29.1 79.5 64.1 165 165 A D H > S+ 0 0 40 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.913 128.7 47.0 -54.0 -50.1 32.0 79.0 61.7 166 166 A R H > S+ 0 0 85 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.902 113.3 48.7 -60.7 -43.5 30.0 77.1 59.1 167 167 A E H > S+ 0 0 33 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.898 111.4 50.6 -64.5 -41.0 27.1 79.6 59.1 168 168 A V H X S+ 0 0 1 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.941 111.5 46.1 -63.3 -48.8 29.5 82.5 58.8 169 169 A V H X S+ 0 0 0 -4,-2.5 4,-0.7 1,-0.2 -1,-0.2 0.908 114.9 48.1 -62.8 -40.1 31.4 81.1 55.8 170 170 A A H >< S+ 0 0 1 -4,-2.2 3,-1.0 -5,-0.2 -2,-0.2 0.936 111.4 49.3 -65.9 -46.6 28.1 80.1 54.1 171 171 A L H >< S+ 0 0 17 -4,-2.7 3,-1.9 1,-0.3 -1,-0.2 0.885 104.3 58.5 -60.9 -38.9 26.5 83.6 54.7 172 172 A M H >< S+ 0 0 20 -4,-2.2 3,-2.2 1,-0.3 -1,-0.3 0.749 87.3 79.2 -63.6 -21.2 29.6 85.4 53.3 173 173 A G G X< + 0 0 0 -3,-1.0 3,-1.6 -4,-0.7 -1,-0.3 0.597 69.6 82.9 -62.6 -9.8 29.0 83.5 50.1 174 174 A A G X S+ 0 0 21 -3,-1.9 3,-2.0 1,-0.3 -1,-0.3 0.683 70.4 80.0 -67.9 -14.8 26.3 86.0 49.3 175 175 A H G < + 0 0 41 -3,-2.2 16,-0.3 1,-0.3 -1,-0.3 0.468 66.3 85.4 -71.6 3.0 29.2 88.2 48.1 176 176 A T G < S+ 0 0 0 -3,-1.6 21,-0.4 23,-0.1 2,-0.3 0.592 88.3 72.3 -74.3 -8.5 29.0 86.0 45.0 177 177 A L S < S- 0 0 7 -3,-2.0 19,-0.2 19,-0.1 14,-0.1 -0.784 100.1 -22.7-109.0 150.9 26.3 88.7 44.3 178 178 A G S S- 0 0 4 17,-2.8 13,-0.7 -2,-0.3 14,-0.5 -0.092 71.5-102.0 57.6-147.2 26.7 92.4 43.3 179 179 A K E -D 190 0D 47 11,-0.2 2,-0.3 12,-0.1 -3,-0.0 -0.954 24.6 -90.5-164.5 176.1 29.7 94.6 44.1 180 180 A T E -D 189 0D 8 9,-2.7 9,-1.8 -2,-0.3 2,-0.5 -0.787 32.7-151.4 -99.7 145.8 31.1 97.2 46.3 181 181 A H >>> - 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0 0 14 -2,-0.3 4,-2.8 -10,-0.2 3,-0.5 -0.327 31.4-105.2 -70.7 160.7 37.5 92.6 51.3 233 233 A P H > S+ 0 0 20 0, 0.0 4,-1.3 0, 0.0 -85,-0.2 0.883 125.7 51.4 -56.3 -34.6 39.9 92.1 54.2 234 234 A T H 4 S+ 0 0 11 -87,-1.2 4,-0.3 2,-0.2 -86,-0.1 0.816 110.2 48.2 -71.2 -30.1 37.1 90.3 56.0 235 235 A D H >4 S+ 0 0 0 -3,-0.5 3,-1.7 -88,-0.2 -1,-0.2 0.929 111.0 50.1 -72.0 -47.7 36.4 88.0 53.0 236 236 A Y H >X S+ 0 0 43 -4,-2.8 3,-2.0 1,-0.3 4,-0.7 0.765 95.7 71.6 -62.2 -26.0 40.1 87.2 52.6 237 237 A S H 3X S+ 0 0 0 -4,-1.3 4,-2.0 1,-0.3 -1,-0.3 0.719 82.1 74.5 -64.2 -18.3 40.3 86.3 56.3 238 238 A L H <4 S+ 0 0 0 -3,-1.7 10,-0.3 -4,-0.3 -1,-0.3 0.661 104.1 35.8 -69.7 -16.0 38.3 83.2 55.4 239 239 A I H <4 S+ 0 0 35 -3,-2.0 -1,-0.2 -4,-0.2 -2,-0.2 0.494 111.7 60.5-111.3 -8.2 41.4 81.7 53.8 240 240 A Q H < S+ 0 0 114 -4,-0.7 -2,-0.2 -3,-0.1 -3,-0.1 0.813 96.2 68.1 -84.0 -33.5 43.8 83.2 56.4 241 241 A D S X S- 0 0 17 -4,-2.0 4,-2.6 1,-0.1 5,-0.1 -0.752 80.1-143.6 -87.4 127.8 42.1 81.3 59.3 242 242 A P H > S+ 0 0 90 0, 0.0 4,-1.4 0, 0.0 -1,-0.1 0.805 98.2 50.6 -63.3 -30.8 42.6 77.5 59.0 243 243 A K H > S+ 0 0 121 2,-0.2 4,-1.0 1,-0.2 -5,-0.1 0.911 114.4 43.4 -73.4 -41.7 39.1 76.7 60.3 244 244 A Y H > S+ 0 0 0 1,-0.2 4,-2.4 -7,-0.2 3,-0.3 0.897 108.4 60.9 -67.7 -40.6 37.4 79.0 57.8 245 245 A L H X S+ 0 0 41 -4,-2.6 4,-2.4 1,-0.2 5,-0.2 0.894 99.8 54.0 -54.0 -45.6 39.7 77.8 55.0 246 246 A S H X S+ 0 0 79 -4,-1.4 4,-1.6 1,-0.2 -1,-0.2 0.883 111.4 45.4 -58.2 -40.2 38.5 74.2 55.3 247 247 A I H X S+ 0 0 17 -4,-1.0 4,-2.4 -3,-0.3 5,-0.2 0.876 109.0 55.3 -72.3 -38.2 34.9 75.3 54.9 248 248 A V H X S+ 0 0 0 -4,-2.4 4,-1.9 -10,-0.3 -2,-0.2 0.922 109.7 47.4 -59.4 -43.1 35.8 77.6 52.0 249 249 A K H X S+ 0 0 101 -4,-2.4 4,-1.0 1,-0.2 -1,-0.2 0.872 108.8 55.5 -65.8 -36.8 37.3 74.7 50.2 250 250 A E H >< S+ 0 0 61 -4,-1.6 3,-0.5 -5,-0.2 4,-0.3 0.935 111.2 42.4 -61.2 -48.2 34.3 72.6 50.9 251 251 A Y H >< S+ 0 0 0 -4,-2.4 3,-0.8 1,-0.2 7,-0.2 0.825 109.2 57.9 -69.6 -32.2 31.9 75.0 49.3 252 252 A A H 3< S+ 0 0 7 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.720 114.6 39.9 -70.1 -19.0 34.2 75.6 46.4 253 253 A N T << S+ 0 0 137 -4,-1.0 -1,-0.2 -3,-0.5 -2,-0.2 0.321 117.3 46.5-112.2 6.4 34.0 71.9 45.7 254 254 A D <> - 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0 0 106 -2,-0.2 -1,-0.1 1,-0.1 2,-0.1 -0.580 29.2-118.9 -81.9 145.8 7.9 78.9 43.4 288 288 A T > - 0 0 14 -2,-0.2 4,-1.5 1,-0.1 6,-0.2 -0.347 26.1-107.4 -78.4 167.0 10.0 81.0 41.1 289 289 A L T 4>S+ 0 0 0 1,-0.2 5,-2.8 2,-0.2 4,-0.5 0.922 123.2 53.8 -59.0 -42.1 8.5 82.8 38.1 290 290 A E T >45S+ 0 0 162 1,-0.2 3,-1.0 2,-0.2 -1,-0.2 0.890 105.4 50.9 -59.9 -43.7 10.2 80.2 36.0 291 291 A E T 345S+ 0 0 115 1,-0.2 -1,-0.2 2,-0.1 -2,-0.2 0.817 112.5 48.3 -65.3 -28.5 8.6 77.3 37.8 292 292 A Q T 3<5S- 0 0 57 -4,-1.5 -1,-0.2 -3,-0.3 -2,-0.2 0.460 112.2-119.3 -89.3 -4.3 5.2 79.0 37.4 293 293 A G T < 5 0 0 68 -3,-1.0 -3,-0.2 -4,-0.5 -2,-0.1 0.801 360.0 360.0 69.5 27.3 5.7 79.6 33.7 294 294 A L < 0 0 104 -5,-2.8 -1,-0.2 -6,-0.2 -2,-0.1 -0.549 360.0 360.0-105.8 360.0 5.4 83.4 34.4