==== 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 22-JAN-97 1AA4 . COMPND 2 MOLECULE: CYTOCHROME C PEROXIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR R.A.MUSAH,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) . 13089.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 181 62.2 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 . 39 13.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 104 35.7 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 4 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 . 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 0 126 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 111.5 12.2 92.7 75.4 2 5 A V - 0 0 110 2,-0.0 2,-0.5 269,-0.0 269,-0.1 -0.841 360.0-170.1-106.9 137.4 9.7 90.2 73.9 3 6 A H - 0 0 26 -2,-0.4 269,-3.5 267,-0.4 2,-0.5 -0.910 6.4-164.3-126.5 103.6 8.6 90.6 70.3 4 7 A V B -a 272 0A 67 -2,-0.5 2,-0.2 267,-0.2 269,-0.2 -0.777 21.7-122.6 -97.7 124.7 5.8 88.3 69.3 5 8 A A - 0 0 14 267,-3.0 2,-0.5 -2,-0.5 122,-0.2 -0.489 27.0-168.5 -57.5 127.5 5.1 87.8 65.6 6 9 A S - 0 0 75 120,-2.8 120,-0.2 -2,-0.2 3,-0.1 -0.941 20.3-128.7-125.4 105.9 1.5 88.8 64.7 7 10 A V - 0 0 55 -2,-0.5 3,-0.2 118,-0.1 121,-0.0 -0.315 35.3-100.8 -54.7 130.8 0.2 87.8 61.2 8 11 A E > - 0 0 21 1,-0.2 3,-2.4 2,-0.1 -1,-0.1 -0.282 63.7 -75.1 -49.3 135.8 -1.3 90.7 59.2 9 12 A K T 3 S- 0 0 204 1,-0.3 -1,-0.2 89,-0.1 3,-0.1 0.055 105.9 -17.2 -61.6 124.6 -5.2 90.3 59.6 10 13 A G T 3 S+ 0 0 77 -3,-0.2 -1,-0.3 1,-0.2 2,-0.1 0.542 97.9 138.2 67.5 3.3 -6.6 87.6 57.5 11 14 A R < + 0 0 81 -3,-2.4 2,-0.2 3,-0.1 -1,-0.2 -0.432 24.0 171.3 -76.5 150.2 -3.6 87.3 55.2 12 15 A S >> - 0 0 49 -2,-0.1 4,-1.3 -3,-0.1 3,-1.1 -0.824 51.5 -62.2-137.9-169.8 -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 0.867 126.0 56.2 -43.5 -49.9 0.4 82.4 51.7 14 17 A E H 3> S+ 0 0 117 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.855 103.4 54.4 -59.9 -33.6 -1.3 83.7 48.5 15 18 A D H <> S+ 0 0 21 -3,-1.1 4,-1.6 2,-0.2 -1,-0.2 0.942 111.6 43.2 -64.2 -48.5 -1.3 87.4 49.7 16 19 A F H X S+ 0 0 0 -4,-1.3 4,-3.1 2,-0.2 -2,-0.2 0.878 107.9 58.8 -69.7 -35.6 2.5 87.4 50.3 17 20 A Q H X S+ 0 0 15 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.899 104.7 53.5 -62.5 -30.9 3.1 85.5 47.0 18 21 A K H X S+ 0 0 117 -4,-1.6 4,-2.0 -5,-0.2 -2,-0.2 0.922 109.7 46.1 -67.6 -41.0 1.4 88.5 45.4 19 22 A V H X S+ 0 0 0 -4,-1.6 4,-2.4 2,-0.2 5,-0.2 0.961 112.3 51.8 -65.0 -46.6 3.8 90.9 47.2 20 23 A Y H X S+ 0 0 0 -4,-3.1 4,-3.1 1,-0.2 5,-0.3 0.958 111.0 47.3 -47.2 -58.5 6.8 88.7 46.2 21 24 A N H X S+ 0 0 22 -4,-2.6 4,-2.6 1,-0.2 5,-0.3 0.905 109.4 54.4 -56.9 -36.0 5.7 88.7 42.5 22 25 A A H X S+ 0 0 17 -4,-2.0 4,-1.9 -5,-0.2 -1,-0.2 0.965 112.2 41.9 -63.7 -48.9 5.2 92.5 42.6 23 26 A I H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 5,-0.2 0.963 116.3 50.8 -59.0 -49.4 8.9 93.0 43.9 24 27 A A H X S+ 0 0 1 -4,-3.1 4,-1.2 1,-0.2 -2,-0.2 0.852 109.0 50.1 -59.7 -37.2 10.2 90.4 41.4 25 28 A L H X S+ 0 0 74 -4,-2.6 4,-2.1 -5,-0.3 -1,-0.2 0.897 111.4 48.1 -70.2 -38.5 8.4 92.0 38.4 26 29 A K H X S+ 0 0 36 -4,-1.9 4,-3.0 -5,-0.3 -2,-0.2 0.868 105.9 58.2 -75.0 -27.9 9.8 95.4 39.3 27 30 A L H < S+ 0 0 27 -4,-2.3 12,-0.2 1,-0.2 -1,-0.2 0.860 110.6 44.6 -63.2 -34.1 13.3 93.8 39.6 28 31 A R H < S+ 0 0 133 -4,-1.2 3,-0.5 -5,-0.2 -2,-0.2 0.898 117.7 44.5 -74.1 -40.0 13.0 92.6 36.0 29 32 A E H < S+ 0 0 135 -4,-2.1 2,-1.6 1,-0.2 3,-0.3 0.961 108.8 52.8 -71.8 -54.0 11.6 96.0 34.9 30 33 A D S >< S+ 0 0 34 -4,-3.0 3,-0.6 1,-0.2 9,-0.4 -0.237 70.5 138.3 -82.4 59.0 14.0 98.4 36.6 31 34 A D T 3 + 0 0 79 -2,-1.6 -1,-0.2 -3,-0.5 -2,-0.1 0.550 50.8 71.4 -80.4 -14.7 17.1 96.7 35.2 32 35 A E T 3> + 0 0 87 -3,-0.3 4,-2.0 4,-0.1 3,-0.3 0.718 67.4 122.3 -79.0 -21.3 19.2 99.7 34.3 33 36 A Y H <>>S+ 0 0 42 -3,-0.6 5,-2.7 2,-0.2 4,-1.0 -0.075 78.7 6.0 -46.8 134.3 20.0 100.7 37.9 34 37 A D H >45S- 0 0 39 1,-0.2 3,-1.5 2,-0.2 -1,-0.2 0.975 140.1 -46.4 52.3 57.8 23.8 100.9 38.9 35 38 A N H 345S- 0 0 151 -3,-0.3 -1,-0.2 1,-0.3 -2,-0.2 0.869 112.7 -49.3 47.5 53.4 25.1 100.3 35.4 36 39 A Y H 3<5S+ 0 0 155 -4,-2.0 -1,-0.3 1,-0.1 -2,-0.2 0.597 110.2 114.8 65.6 17.6 22.8 97.4 34.7 37 40 A I T <<5 - 0 0 19 -3,-1.5 3,-0.3 -4,-1.0 -3,-0.2 0.898 67.3-152.3 -71.7 -36.1 23.5 95.5 37.9 38 41 A G < - 0 0 7 -5,-2.7 4,-0.4 1,-0.2 -7,-0.2 -0.219 28.4 -65.3 85.2 176.5 19.8 96.2 38.9 39 42 A Y S > S+ 0 0 36 -9,-0.4 4,-1.7 -12,-0.2 5,-0.2 0.574 102.5 93.6 -78.6 -11.4 18.3 96.4 42.3 40 43 A G H > S+ 0 0 5 -3,-0.3 4,-2.1 2,-0.2 3,-0.4 0.940 85.5 45.9 -51.9 -57.6 18.8 92.9 43.7 41 44 A P H > S+ 0 0 15 0, 0.0 4,-2.6 0, 0.0 3,-0.2 0.947 112.8 49.7 -57.7 -47.7 22.1 93.4 45.6 42 45 A V H > S+ 0 0 19 -4,-0.4 4,-2.1 1,-0.2 -2,-0.2 0.855 110.2 53.9 -61.8 -27.6 21.0 96.7 47.3 43 46 A L H X S+ 0 0 2 -4,-1.7 4,-1.9 -3,-0.4 -1,-0.2 0.897 108.6 45.9 -76.5 -34.4 17.8 94.9 48.4 44 47 A V H X S+ 0 0 10 -4,-2.1 4,-2.0 -3,-0.2 -2,-0.2 0.918 113.2 52.0 -74.8 -25.9 19.7 92.0 50.0 45 48 A R H X S+ 0 0 76 -4,-2.6 4,-2.8 -5,-0.3 -2,-0.2 0.914 108.1 51.4 -68.4 -37.5 22.0 94.6 51.7 46 49 A L H X S+ 0 0 1 -4,-2.1 4,-2.3 -5,-0.2 5,-0.3 0.954 109.4 49.3 -62.7 -44.8 18.9 96.5 53.0 47 50 A A H X S+ 0 0 0 -4,-1.9 4,-0.9 1,-0.2 -2,-0.2 0.888 113.2 47.8 -64.9 -34.6 17.5 93.2 54.5 48 51 A W H X S+ 0 0 47 -4,-2.0 4,-2.9 2,-0.2 3,-0.3 0.951 112.1 48.7 -70.5 -47.0 20.9 92.5 56.2 49 52 A H H < S+ 0 0 14 -4,-2.8 4,-0.4 1,-0.2 -2,-0.2 0.845 109.8 50.3 -67.9 -29.4 21.3 96.1 57.6 50 53 A I H < S+ 0 0 4 -4,-2.3 -1,-0.2 -5,-0.2 3,-0.2 0.835 120.9 37.4 -76.9 -22.0 17.7 96.2 59.1 51 54 A S H >< S+ 0 0 0 -4,-0.9 3,-1.8 -3,-0.3 -2,-0.2 0.816 102.4 72.3 -89.9 -29.5 18.4 92.8 60.8 52 55 A G T 3< S+ 0 0 0 -4,-2.9 -1,-0.1 1,-0.3 -3,-0.1 0.531 82.2 72.9 -68.0 -10.0 22.1 93.5 61.6 53 56 A T T 3 S+ 0 0 5 -4,-0.4 -1,-0.3 -3,-0.2 -2,-0.1 0.504 72.0 119.3 -77.6 -9.6 21.1 95.9 64.4 54 57 A W < - 0 0 22 -3,-1.8 2,-0.4 7,-0.2 7,-0.2 -0.247 48.2-159.8 -60.6 146.3 20.0 93.1 66.7 55 58 A D B >>> -B 60 0B 27 5,-2.1 4,-1.4 1,-0.1 3,-0.9 -0.917 9.5-154.9-126.1 116.3 21.6 92.6 70.0 56 59 A K T 345S+ 0 0 81 101,-2.5 -1,-0.1 -2,-0.4 102,-0.1 0.697 88.4 65.9 -57.1 -21.7 21.1 89.1 71.6 57 60 A H T 345S+ 0 0 142 100,-0.2 -1,-0.2 1,-0.2 100,-0.0 0.883 123.9 6.8 -75.5 -37.7 21.7 90.5 75.1 58 61 A D T <45S- 0 0 75 -3,-0.9 -2,-0.2 2,-0.1 -1,-0.2 0.240 95.2-120.5-125.1 8.3 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 0.767 62.5 145.5 54.1 28.4 16.7 91.8 72.2 60 63 A T B < +B 55 0B 33 -5,-0.7 -5,-2.1 -7,-0.1 -1,-0.2 -0.576 49.2 17.3 -86.5 162.5 16.8 95.4 70.9 61 64 A G S S+ 0 0 16 73,-0.4 -7,-0.2 -7,-0.2 3,-0.2 -0.295 73.4 121.7 68.9-160.5 17.2 96.1 67.2 62 65 A G S S- 0 0 6 -12,-0.2 3,-0.4 -13,-0.2 5,-0.3 -0.152 78.3 -67.6 92.6 170.1 16.5 93.4 64.6 63 66 A S S > S+ 0 0 2 206,-0.4 3,-1.2 203,-0.3 -1,-0.2 0.755 106.2 87.9 -74.2 -19.0 14.0 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 0.851 87.5 42.0 -45.9 -56.6 10.8 93.1 63.8 65 68 A G T 3 S- 0 0 6 -3,-0.4 65,-1.8 -4,-0.2 -1,-0.2 0.512 89.3-135.2 -81.4 -8.0 9.9 96.8 64.2 66 69 A G X + 0 0 4 -3,-1.2 3,-1.7 -4,-0.2 4,-0.1 0.759 46.1 157.3 60.1 29.6 10.7 98.2 60.8 67 70 A T G > + 0 0 7 -5,-0.3 3,-1.8 1,-0.3 6,-0.4 0.533 49.2 86.7 -70.7 -6.1 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 0.714 75.9 72.1 -63.2 -22.1 14.6 101.9 59.3 69 72 A R G < S+ 0 0 75 -3,-1.7 2,-0.3 4,-0.1 -1,-0.3 0.724 85.4 87.6 -66.7 -17.9 11.6 104.1 58.2 70 73 A F S <> S- 0 0 30 -3,-1.8 4,-2.7 -4,-0.1 3,-0.4 -0.654 89.0-118.5 -86.0 142.6 12.7 106.5 61.0 71 74 A K H > S+ 0 0 144 -2,-0.3 4,-2.7 1,-0.2 5,-0.1 0.801 107.9 57.7 -42.9 -46.9 15.2 109.3 60.4 72 75 A K H 4 S+ 0 0 85 1,-0.2 -1,-0.2 2,-0.2 4,-0.2 0.965 116.9 32.8 -55.9 -53.2 17.8 108.1 63.0 73 76 A E H >4 S+ 0 0 4 -6,-0.4 3,-1.4 -3,-0.4 -2,-0.2 0.920 118.2 54.4 -72.1 -39.4 18.2 104.7 61.3 74 77 A F H 3< S+ 0 0 39 -4,-2.7 -1,-0.2 -7,-0.3 -2,-0.2 0.863 112.8 44.6 -61.8 -34.2 17.6 106.0 57.8 75 78 A N T 3< S+ 0 0 106 -4,-2.7 -1,-0.3 -5,-0.3 -2,-0.2 0.306 77.9 129.4 -95.8 9.3 20.4 108.5 58.3 76 79 A D X - 0 0 10 -3,-1.4 3,-1.7 -4,-0.2 4,-0.2 -0.473 63.0-132.9 -56.6 129.6 22.9 106.1 59.9 77 80 A P G > S+ 0 0 99 0, 0.0 3,-1.4 0, 0.0 -1,-0.2 0.844 106.3 63.0 -59.1 -29.8 26.2 106.7 57.9 78 81 A S G 3 S+ 0 0 42 1,-0.3 -2,-0.1 3,-0.0 -29,-0.0 0.728 98.9 55.5 -67.7 -19.8 26.5 102.9 57.7 79 82 A N G X S+ 0 0 1 -3,-1.7 3,-2.6 -6,-0.2 4,-0.4 0.376 75.2 141.3 -92.8 3.1 23.2 102.8 55.7 80 83 A A T < S+ 0 0 26 -3,-1.4 101,-0.1 1,-0.3 -5,-0.1 -0.190 70.8 21.3 -51.6 126.2 24.4 105.2 53.0 81 84 A G T > S+ 0 0 5 99,-0.1 3,-1.2 100,-0.0 4,-0.4 0.088 95.1 99.7 98.3 -21.5 23.2 104.1 49.5 82 85 A L T X> + 0 0 0 -3,-2.6 4,-2.2 1,-0.2 3,-1.4 0.784 60.2 82.3 -73.0 -14.6 20.3 102.0 51.0 83 86 A Q H 3> S+ 0 0 47 -4,-0.4 4,-2.6 1,-0.3 -1,-0.2 0.855 86.0 61.0 -53.3 -31.9 17.8 104.9 50.3 84 87 A N H <> S+ 0 0 62 -3,-1.2 4,-1.1 2,-0.2 -1,-0.3 0.811 103.5 46.3 -66.4 -33.9 17.8 103.5 46.7 85 88 A G H <> S+ 0 0 0 -3,-1.4 4,-2.1 -4,-0.4 -2,-0.2 0.919 112.2 52.3 -72.9 -41.8 16.4 100.1 47.9 86 89 A F H X S+ 0 0 44 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.945 109.8 47.4 -57.2 -48.7 13.8 102.0 50.1 87 90 A K H < S+ 0 0 113 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.863 109.3 55.4 -63.6 -31.2 12.5 104.1 47.1 88 91 A F H X S+ 0 0 4 -4,-1.1 4,-0.5 -5,-0.2 -1,-0.2 0.918 113.1 41.4 -62.4 -46.2 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,-0.3 0.769 94.9 81.7 -76.8 -21.6 10.1 99.3 47.6 90 93 A E H X S+ 0 0 76 -4,-1.8 4,-1.7 1,-0.2 5,-0.2 0.902 89.9 51.1 -60.0 -45.3 7.9 102.4 48.3 91 94 A P H > S+ 0 0 57 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.903 109.5 51.5 -46.2 -45.3 5.6 101.8 45.2 92 95 A I H X S+ 0 0 5 -4,-0.5 4,-2.0 -3,-0.3 -2,-0.2 0.880 108.0 51.9 -66.7 -33.1 5.0 98.2 46.3 93 96 A H H < S+ 0 0 45 -4,-1.9 -1,-0.2 2,-0.2 6,-0.2 0.851 107.0 52.7 -72.6 -33.3 4.1 99.3 49.8 94 97 A K H < S+ 0 0 143 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.873 111.7 47.3 -63.4 -39.4 1.6 101.8 48.4 95 98 A E H < S+ 0 0 126 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.798 124.8 30.0 -72.0 -32.0 0.1 98.9 46.4 96 99 A F >< + 0 0 19 -4,-2.0 3,-1.8 -5,-0.1 -1,-0.2 -0.572 69.6 165.4-125.7 73.1 -0.0 96.6 49.5 97 100 A P T 3 + 0 0 99 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.693 68.1 70.1 -69.4 -16.3 -0.5 99.0 52.4 98 101 A W T 3 S+ 0 0 54 -3,-0.1 2,-0.2 2,-0.1 -89,-0.1 0.690 77.6 90.8 -70.8 -25.9 -1.5 96.1 54.7 99 102 A I S < S- 0 0 4 -3,-1.8 2,-0.1 -6,-0.2 -3,-0.1 -0.535 80.2-119.9 -73.5 138.9 2.1 94.5 54.9 100 103 A S > - 0 0 15 -2,-0.2 4,-2.5 27,-0.2 5,-0.2 -0.385 20.0-114.2 -70.4 159.0 4.3 95.8 57.8 101 104 A S H > S+ 0 0 8 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.969 114.3 50.0 -61.1 -49.3 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 0.890 113.1 48.1 -55.5 -40.9 9.8 94.8 58.7 103 106 A D H > S+ 0 0 0 24,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.925 112.7 46.7 -67.8 -43.3 8.0 92.2 56.6 104 107 A L H X S+ 0 0 1 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.941 113.6 48.3 -66.4 -45.4 8.3 94.1 53.4 105 108 A F H X S+ 0 0 8 -4,-2.8 4,-1.3 -5,-0.2 -2,-0.2 0.947 116.3 43.8 -61.8 -43.4 12.1 94.9 53.9 106 109 A S H X S+ 0 0 0 -4,-2.5 4,-2.0 -5,-0.3 -2,-0.2 0.911 112.1 50.9 -71.1 -36.3 12.9 91.3 54.8 107 110 A L H X S+ 0 0 0 -4,-2.5 4,-3.0 -5,-0.2 5,-0.2 0.878 104.2 60.0 -68.0 -31.1 10.8 89.8 51.9 108 111 A G H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.917 106.4 47.4 -57.7 -42.4 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 0.932 113.5 47.5 -64.4 -44.6 15.9 90.5 50.5 110 113 A V H X S+ 0 0 0 -4,-2.0 4,-2.2 1,-0.2 5,-0.3 0.942 112.6 49.2 -61.0 -44.3 14.3 87.0 50.1 111 114 A T H X S+ 0 0 0 -4,-3.0 4,-2.5 2,-0.2 5,-0.2 0.906 109.6 50.8 -64.6 -45.0 12.9 87.9 46.7 112 115 A A H X S+ 0 0 0 -4,-2.3 4,-2.2 -5,-0.2 6,-0.2 0.941 110.2 49.3 -60.0 -46.3 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 0.951 115.7 42.4 -60.1 -50.4 18.2 86.2 46.3 114 117 A Q H ><5S+ 0 0 7 -4,-2.2 3,-1.4 3,-0.2 -1,-0.2 0.909 114.6 50.2 -63.8 -41.5 15.7 83.8 44.7 115 118 A E H 3<5S+ 0 0 42 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.847 106.3 55.1 -69.5 -27.4 15.2 85.9 41.6 116 119 A M T 3<5S- 0 0 18 -4,-2.2 79,-3.1 -5,-0.2 -1,-0.3 0.150 129.9-100.7 -86.4 25.4 19.0 86.2 41.1 117 120 A Q T < 5S+ 0 0 115 -3,-1.4 -3,-0.2 77,-0.2 -2,-0.1 0.677 76.0 142.9 54.0 34.2 18.9 82.3 41.2 118 121 A G < - 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0 0 53 -34,-0.3 -4,-2.8 -4,-0.1 2,-0.3 -0.800 56.5-117.6-103.3 146.4 41.3 103.7 52.3 218 221 A E E +E 212 0E 101 -2,-0.3 2,-0.3 -6,-0.2 -6,-0.2 -0.666 39.0 162.5 -82.7 141.5 43.1 100.4 51.8 219 222 A Q E -E 211 0E 7 -8,-2.2 -8,-2.7 -2,-0.3 2,-0.6 -0.993 42.0-102.9-149.7 156.2 41.6 97.5 49.9 220 223 A W E -EF 210 228E 43 8,-2.2 8,-2.1 -2,-0.3 2,-0.3 -0.716 41.3-171.3 -84.9 116.4 42.7 94.3 48.2 221 224 A D E -EF 209 227E 28 -12,-2.9 -12,-2.4 -2,-0.6 2,-0.3 -0.868 6.8-156.2-111.0 141.8 42.8 94.7 44.4 222 225 A S E > -E 208 0E 12 4,-2.3 3,-2.2 -2,-0.3 4,-0.2 -0.880 30.3-114.0-115.2 159.3 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 0.863 113.1 64.2 -53.2 -37.8 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 -35,-0.0 0.568 122.6-100.9 -66.5 -7.2 41.2 91.2 36.9 225 228 A G S < S+ 0 0 50 -3,-2.2 2,-0.2 1,-0.3 -2,-0.1 0.584 80.5 129.4 95.3 10.9 39.6 94.4 38.2 226 229 A Y - 0 0 42 -4,-0.2 -4,-2.3 -38,-0.1 2,-0.3 -0.578 38.2-159.1 -96.6 163.3 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 -0.936 6.7-159.9-139.4 154.4 38.4 94.1 44.9 228 231 A M E -F 220 0E 2 -8,-2.1 -8,-2.2 -2,-0.3 3,-0.0 -0.994 23.3-122.7-132.6 141.5 38.0 92.7 48.4 229 232 A L > - 0 0 17 -2,-0.4 4,-2.3 -10,-0.2 3,-0.4 -0.477 31.2-109.3 -70.8 158.1 37.4 94.6 51.6 230 233 A P H > S+ 0 0 23 0, 0.0 4,-1.8 0, 0.0 -85,-0.2 0.957 123.8 50.2 -53.1 -47.4 39.9 94.2 54.6 231 234 A T H 4 S+ 0 0 14 -87,-2.2 4,-0.4 1,-0.2 -86,-0.1 0.821 109.8 51.5 -63.8 -27.2 37.2 92.2 56.5 232 235 A D H >4 S+ 0 0 6 -3,-0.4 3,-1.2 -88,-0.2 4,-0.3 0.910 108.5 48.7 -70.0 -43.1 36.6 90.0 53.3 233 236 A Y H >X S+ 0 0 43 -4,-2.3 3,-1.7 1,-0.2 4,-0.9 0.810 96.0 76.6 -68.2 -28.2 40.2 89.1 52.9 234 237 A S H 3X S+ 0 0 0 -4,-1.8 4,-1.3 -5,-0.3 3,-0.3 0.772 80.3 71.0 -42.5 -34.0 40.3 88.3 56.7 235 238 A L H <4 S+ 0 0 0 -3,-1.2 -1,-0.3 -4,-0.4 10,-0.2 0.778 101.7 40.7 -68.9 -25.5 38.5 85.1 55.8 236 239 A I H <4 S+ 0 0 36 -3,-1.7 -1,-0.3 -4,-0.3 -2,-0.2 0.609 109.9 61.6 -96.5 -7.8 41.6 83.6 54.2 237 240 A Q H < S+ 0 0 116 -4,-0.9 -2,-0.2 -3,-0.3 -1,-0.1 0.698 94.2 69.1 -81.6 -22.6 43.9 85.0 56.9 238 241 A D S X S- 0 0 24 -4,-1.3 4,-2.9 1,-0.1 5,-0.2 -0.861 77.4-140.9 -97.5 134.6 42.2 83.0 59.8 239 242 A P H > S+ 0 0 100 0, 0.0 4,-1.6 0, 0.0 -1,-0.1 0.863 100.4 46.1 -64.4 -38.2 42.7 79.2 59.8 240 243 A K H > S+ 0 0 116 2,-0.2 4,-1.2 1,-0.1 -5,-0.0 0.973 118.5 42.7 -67.0 -50.4 39.1 78.3 61.0 241 244 A Y H >> S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 3,-0.7 0.944 109.6 58.4 -58.1 -49.9 37.5 80.7 58.4 242 245 A L H 3X S+ 0 0 45 -4,-2.9 4,-2.3 1,-0.2 -1,-0.2 0.887 103.6 50.7 -53.2 -43.8 39.9 79.6 55.6 243 246 A S H 3X S+ 0 0 68 -4,-1.6 4,-1.3 2,-0.2 -1,-0.2 0.837 110.2 48.9 -73.0 -19.2 38.9 75.9 55.8 244 247 A I H - 0 0 73 -3,-0.4 4,-2.0 -4,-0.4 -1,-0.2 -0.619 54.0-179.5-154.4 91.9 30.8 72.6 46.9 252 255 A Q H > S+ 0 0 129 1,-0.2 4,-2.8 -3,-0.2 5,-0.2 0.892 85.7 56.1 -64.6 -33.1 28.2 75.2 45.7 253 256 A D H > S+ 0 0 119 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.914 107.4 48.2 -64.0 -44.1 25.2 73.2 46.9 254 257 A K H > S+ 0 0 52 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.935 112.0 51.1 -60.7 -47.2 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 0.945 111.4 47.3 -52.3 -53.4 27.1 76.9 50.2 256 259 A F H X S+ 0 0 47 -4,-2.8 4,-2.1 2,-0.2 -2,-0.2 0.947 113.8 47.3 -55.0 -44.5 23.5 77.4 49.0 257 260 A K H X S+ 0 0 122 -4,-2.5 4,-1.7 1,-0.2 -2,-0.2 0.915 115.7 44.3 -67.6 -44.0 22.1 75.2 51.8 258 261 A D H X S+ 0 0 7 -4,-2.8 4,-2.1 2,-0.2 -1,-0.2 0.885 111.8 52.2 -72.4 -32.3 24.1 76.9 54.6 259 262 A F H X S+ 0 0 2 -4,-2.8 4,-2.8 -5,-0.3 5,-0.3 0.945 107.6 53.7 -63.8 -44.5 23.4 80.5 53.2 260 263 A S H X S+ 0 0 17 -4,-2.1 4,-1.9 -5,-0.2 5,-0.2 0.921 111.0 44.9 -54.9 -50.5 19.6 79.7 53.3 261 264 A K H X S+ 0 0 112 -4,-1.7 4,-2.2 1,-0.2 -1,-0.2 0.924 116.3 45.0 -62.2 -44.1 19.7 78.7 56.9 262 265 A A H X S+ 0 0 3 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.836 112.3 50.4 -74.9 -28.1 21.9 81.6 58.1 263 266 A F H X S+ 0 0 5 -4,-2.8 4,-2.1 -5,-0.2 -2,-0.2 0.917 112.1 47.8 -74.4 -39.5 19.9 84.3 56.1 264 267 A E H X S+ 0 0 35 -4,-1.9 4,-1.8 -5,-0.3 -2,-0.2 0.980 113.7 47.9 -63.0 -48.6 16.5 83.1 57.5 265 268 A K H X S+ 0 0 60 -4,-2.2 4,-1.4 1,-0.2 3,-0.3 0.916 110.6 52.1 -56.5 -44.6 18.0 83.0 61.0 266 269 A L H < S+ 0 0 3 -4,-2.2 -203,-0.3 1,-0.2 -1,-0.2 0.892 112.7 44.8 -52.5 -47.0 19.4 86.6 60.4 267 270 A L H < S+ 0 0 2 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.738 117.3 45.1 -74.0 -23.6 16.0 87.8 59.4 268 271 A E H >< S+ 0 0 33 -4,-1.8 3,-1.8 -3,-0.3 -2,-0.2 0.527 77.7 126.5 -99.7 -10.1 14.2 86.0 62.3 269 272 A N T 3< S+ 0 0 19 -4,-1.4 -205,-0.4 1,-0.2 -206,-0.4 -0.191 78.0 18.2 -54.4 132.6 16.6 87.0 65.2 270 273 A G T 3 S+ 0 0 15 1,-0.2 2,-0.4 -208,-0.1 -267,-0.4 0.185 97.3 114.7 95.3 -19.4 14.6 88.6 68.0 271 274 A I < - 0 0 18 -3,-1.8 2,-0.6 -269,-0.1 -1,-0.2 -0.686 52.4-151.1 -95.0 130.7 11.1 87.4 67.0 272 275 A T B -a 4 0A 67 -269,-3.5 -267,-3.0 -2,-0.4 -3,-0.0 -0.878 11.0-159.1 -94.3 121.0 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 -0.920 15.0-132.0-102.9 116.7 6.7 82.9 66.9 274 277 A P > - 0 0 45 0, 0.0 3,-2.2 0, 0.0 -270,-0.0 -0.302 24.5-114.3 -51.6 149.4 3.6 81.4 68.7 275 278 A K T 3 S+ 0 0 196 1,-0.3 -2,-0.0 -2,-0.0 0, 0.0 0.714 116.8 57.6 -72.3 -11.5 3.0 77.6 68.0 276 279 A D T 3 S+ 0 0 145 2,-0.0 -1,-0.3 0, 0.0 -3,-0.0 0.302 84.1 111.1 -88.9 4.2 -0.3 78.4 66.2 277 280 A A S < S- 0 0 26 -3,-2.2 -4,-0.0 1,-0.1 -271,-0.0 -0.537 78.5 -96.7 -72.3 148.7 1.6 80.6 63.8 278 281 A P - 0 0 57 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.212 40.5 -95.8 -64.6 155.4 1.8 79.4 60.2 279 282 A S - 0 0 93 1,-0.1 2,-0.1 -155,-0.1 -156,-0.1 -0.180 54.0 -80.6 -55.8 157.4 4.7 77.5 58.8 280 283 A P - 0 0 46 0, 0.0 2,-0.3 0, 0.0 -156,-0.2 -0.442 49.5-122.9 -62.1 137.9 7.4 79.4 56.9 281 284 A F B -C 123 0C 23 -158,-3.2 -158,-2.1 -3,-0.1 2,-0.6 -0.667 13.8-155.8 -82.3 141.9 6.5 80.1 53.3 282 285 A I - 0 0 83 -2,-0.3 2,-0.3 -160,-0.2 -162,-0.0 -0.952 23.3-149.8-110.5 105.5 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 -0.563 8.5-124.2 -81.8 140.2 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 25.5-121.9 -74.2 145.1 7.8 80.3 43.8 285 288 A T > - 0 0 14 -2,-0.2 4,-1.5 1,-0.1 6,-0.2 -0.501 25.5-108.1 -79.2 163.1 10.0 82.3 41.5 286 289 A L H >>>S+ 0 0 0 1,-0.2 5,-2.2 2,-0.2 4,-1.0 0.971 122.4 55.6 -53.1 -40.7 8.5 84.1 38.4 287 290 A E H >45S+ 0 0 157 1,-0.3 3,-1.2 2,-0.2 -1,-0.2 0.921 106.0 46.7 -59.1 -47.8 10.3 81.5 36.4 288 291 A E H 345S+ 0 0 105 1,-0.3 -1,-0.3 2,-0.1 -2,-0.2 0.745 114.5 51.1 -67.6 -20.1 8.6 78.5 38.2 289 292 A Q H <<5S- 0 0 60 -4,-1.5 -1,-0.3 -3,-0.8 -2,-0.2 0.555 109.4-123.5 -87.5 -11.6 5.3 80.4 37.7 290 293 A G T <<5 0 0 72 -3,-1.2 -3,-0.2 -4,-1.0 -4,-0.1 0.772 360.0 360.0 69.9 21.6 5.8 80.9 33.9 291 294 A L < 0 0 104 -5,-2.2 -1,-0.2 -6,-0.2 -2,-0.1 -0.356 360.0 360.0 -95.0 360.0 5.4 84.7 34.6