==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 22-JAN-97 1CCJ . COMPND 2 MOLECULE: CYTOCHROME C PEROXIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR Y.CAO,R.A.MUSAH,S.K.WILCOX,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) . 13140.0 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 . 45 15.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 103 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 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 0 131 0, 0.0 2,-0.5 0, 0.0 269,-0.0 0.000 360.0 360.0 360.0 128.7 12.2 92.8 75.4 2 5 A V - 0 0 110 2,-0.0 2,-0.6 269,-0.0 269,-0.1 -0.966 360.0-169.7-115.1 127.2 9.9 90.3 73.9 3 6 A H - 0 0 31 -2,-0.5 269,-3.3 267,-0.5 2,-0.5 -0.941 8.6-163.5-112.6 108.6 8.7 90.7 70.2 4 7 A V B -a 272 0A 67 -2,-0.6 2,-0.2 267,-0.2 269,-0.2 -0.788 21.8-120.1 -99.5 128.9 5.9 88.4 69.3 5 8 A A - 0 0 10 267,-2.7 2,-0.5 -2,-0.5 122,-0.2 -0.520 28.3-170.3 -61.6 126.8 5.1 87.8 65.6 6 9 A S - 0 0 78 120,-2.4 120,-0.1 -2,-0.2 3,-0.1 -0.952 22.1-128.4-124.9 107.8 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 -0.317 35.3-101.4 -53.6 128.8 0.2 87.8 61.2 8 11 A E > - 0 0 22 1,-0.2 3,-1.9 2,-0.1 -1,-0.1 -0.319 65.4 -74.1 -49.3 133.9 -1.3 90.9 59.4 9 12 A K T 3 S- 0 0 199 1,-0.3 -1,-0.2 89,-0.1 89,-0.0 0.006 105.4 -14.1 -60.6 123.7 -5.1 90.3 59.8 10 13 A G T 3 S+ 0 0 75 1,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.350 96.7 137.6 79.3 -5.7 -6.6 87.6 57.7 11 14 A R < + 0 0 84 -3,-1.9 -1,-0.2 3,-0.1 2,-0.2 -0.318 23.5 169.9 -73.6 152.6 -3.6 87.2 55.3 12 15 A S >> - 0 0 50 -2,-0.1 4,-1.6 -5,-0.0 3,-0.7 -0.776 52.5 -62.2-140.0-167.8 -2.2 83.9 54.1 13 16 A Y H 3> S+ 0 0 64 1,-0.2 4,-2.9 -2,-0.2 5,-0.2 0.872 126.4 56.9 -47.0 -48.4 0.4 82.4 51.5 14 17 A E H 3> S+ 0 0 118 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.890 105.1 51.6 -56.5 -40.2 -1.5 83.8 48.5 15 18 A D H <> S+ 0 0 26 -3,-0.7 4,-1.4 2,-0.2 3,-0.3 0.962 112.5 44.0 -64.5 -47.3 -1.3 87.3 49.8 16 19 A F H X S+ 0 0 0 -4,-1.6 4,-2.7 1,-0.2 -2,-0.2 0.917 108.2 58.1 -70.8 -32.4 2.5 87.2 50.4 17 20 A Q H X S+ 0 0 15 -4,-2.9 4,-2.6 1,-0.2 -1,-0.2 0.857 103.3 54.8 -61.7 -33.9 3.1 85.5 47.1 18 21 A K H X S+ 0 0 109 -4,-1.6 4,-2.1 -3,-0.3 -1,-0.2 0.908 109.2 46.3 -65.4 -38.9 1.4 88.6 45.4 19 22 A V H X S+ 0 0 0 -4,-1.4 4,-2.1 2,-0.2 -2,-0.2 0.924 111.9 51.5 -72.4 -38.5 3.8 90.9 47.2 20 23 A Y H X S+ 0 0 0 -4,-2.7 4,-3.1 2,-0.2 5,-0.2 0.965 111.1 48.4 -52.9 -54.0 6.8 88.7 46.2 21 24 A N H X S+ 0 0 23 -4,-2.6 4,-2.6 1,-0.2 5,-0.3 0.897 108.6 54.0 -59.4 -36.2 5.6 88.8 42.5 22 25 A A H X S+ 0 0 18 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.945 112.5 42.8 -64.3 -46.7 5.2 92.5 42.6 23 26 A I H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 5,-0.2 0.975 116.1 48.5 -61.2 -53.3 8.8 93.0 43.8 24 27 A A H X S+ 0 0 1 -4,-3.1 4,-1.8 1,-0.2 -2,-0.2 0.885 111.3 49.8 -57.0 -41.3 10.2 90.3 41.3 25 28 A L H X S+ 0 0 66 -4,-2.6 4,-2.3 -5,-0.2 -1,-0.2 0.914 112.4 47.0 -66.5 -39.8 8.3 91.9 38.3 26 29 A K H X S+ 0 0 49 -4,-1.9 4,-2.9 -5,-0.3 -2,-0.2 0.866 108.1 56.5 -73.3 -28.7 9.7 95.3 39.2 27 30 A L H < S+ 0 0 23 -4,-2.3 12,-0.3 2,-0.2 -1,-0.2 0.882 111.5 44.1 -63.6 -39.1 13.2 93.9 39.6 28 31 A R H >< S+ 0 0 128 -4,-1.8 3,-0.7 -5,-0.2 -2,-0.2 0.927 116.5 46.3 -67.3 -45.0 12.9 92.6 36.0 29 32 A E H 3< S+ 0 0 138 -4,-2.3 2,-0.6 1,-0.2 3,-0.3 0.925 108.8 52.6 -66.8 -50.1 11.4 95.9 34.7 30 33 A D T >< + 0 0 30 -4,-2.9 3,-1.2 1,-0.2 -1,-0.2 -0.045 67.9 140.3 -84.9 44.2 13.8 98.3 36.4 31 34 A D T < + 0 0 83 -3,-0.7 -1,-0.2 -2,-0.6 7,-0.1 0.626 52.5 74.6 -61.6 -18.0 17.0 96.5 35.0 32 35 A E T 3> + 0 0 88 -3,-0.3 4,-1.8 4,-0.1 3,-0.3 0.757 64.8 117.1 -73.4 -24.7 18.9 99.8 34.2 33 36 A Y H <>>S+ 0 0 42 -3,-1.2 5,-3.0 2,-0.2 4,-1.1 -0.092 80.5 7.3 -50.9 138.9 19.9 100.8 37.8 34 37 A D H >45S- 0 0 37 1,-0.2 3,-1.2 2,-0.2 -1,-0.2 0.960 138.7 -47.7 52.7 59.8 23.7 100.9 38.7 35 38 A N H 345S- 0 0 151 -3,-0.3 -1,-0.2 1,-0.3 -2,-0.2 0.885 113.4 -48.7 46.3 50.5 24.9 100.3 35.1 36 39 A Y H 3<5S+ 0 0 158 -4,-1.8 -1,-0.3 -6,-0.1 -2,-0.2 0.666 110.0 115.1 68.9 19.7 22.6 97.4 34.5 37 40 A I T <<5 - 0 0 17 -3,-1.2 3,-0.3 -4,-1.1 -3,-0.2 0.850 66.7-153.8 -76.8 -30.4 23.3 95.5 37.7 38 41 A G < - 0 0 9 -5,-3.0 4,-0.4 1,-0.2 -7,-0.1 -0.196 30.2 -64.7 81.8-179.7 19.7 96.2 38.7 39 42 A Y S > S+ 0 0 38 -12,-0.3 4,-1.8 -9,-0.2 -1,-0.2 0.566 102.6 95.2 -86.6 -6.0 18.2 96.5 42.2 40 43 A G H > S+ 0 0 5 -3,-0.3 4,-1.8 1,-0.2 5,-0.2 0.923 85.0 47.3 -52.7 -53.7 18.7 92.9 43.5 41 44 A P H > S+ 0 0 16 0, 0.0 4,-2.4 0, 0.0 3,-0.5 0.950 111.4 49.0 -59.5 -49.4 22.1 93.5 45.3 42 45 A V H > S+ 0 0 19 -4,-0.4 4,-2.3 1,-0.2 -2,-0.2 0.858 109.7 55.6 -63.6 -26.8 21.0 96.7 47.2 43 46 A L H X S+ 0 0 2 -4,-1.8 4,-1.9 -3,-0.2 -1,-0.2 0.879 108.7 44.1 -73.0 -34.5 17.8 94.9 48.4 44 47 A V H X S+ 0 0 10 -4,-1.8 4,-2.2 -3,-0.5 5,-0.2 0.946 113.1 53.2 -77.8 -29.4 19.6 92.0 50.0 45 48 A R H X S+ 0 0 74 -4,-2.4 4,-2.8 -5,-0.2 -2,-0.2 0.934 109.7 49.4 -59.8 -40.5 22.1 94.6 51.5 46 49 A L H X S+ 0 0 2 -4,-2.3 4,-2.2 -5,-0.2 5,-0.3 0.947 108.4 51.4 -65.4 -44.5 19.0 96.5 52.9 47 50 A A H X S+ 0 0 0 -4,-1.9 4,-0.9 1,-0.2 -1,-0.2 0.915 113.3 46.4 -57.8 -39.4 17.5 93.3 54.4 48 51 A W H X S+ 0 0 47 -4,-2.2 4,-2.8 1,-0.2 3,-0.4 0.938 111.1 51.2 -70.7 -42.5 20.9 92.6 56.1 49 52 A H H < S+ 0 0 14 -4,-2.8 4,-0.3 1,-0.2 -2,-0.2 0.869 109.9 48.8 -66.4 -31.5 21.3 96.2 57.5 50 53 A I H < S+ 0 0 4 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.747 120.3 38.5 -79.2 -20.8 17.8 96.3 59.1 51 54 A S H >< S+ 0 0 1 -4,-0.9 3,-1.7 -3,-0.4 -2,-0.2 0.767 103.3 70.6 -90.1 -32.1 18.4 92.9 60.7 52 55 A G T 3< S+ 0 0 0 -4,-2.8 -2,-0.1 1,-0.3 -3,-0.1 0.486 81.3 73.6 -71.0 -7.1 22.1 93.5 61.6 53 56 A T T 3 S+ 0 0 5 -4,-0.3 -1,-0.3 -5,-0.1 -2,-0.1 0.481 73.7 121.0 -78.4 -6.4 21.3 96.1 64.3 54 57 A W < - 0 0 21 -3,-1.7 2,-0.4 7,-0.2 7,-0.2 -0.275 47.2-160.7 -65.2 148.1 20.1 93.3 66.6 55 58 A D B >>> -B 60 0B 29 5,-1.9 4,-1.5 1,-0.1 3,-0.8 -0.912 10.1-155.9-128.5 112.8 21.7 92.6 70.0 56 59 A K T 345S+ 0 0 87 101,-2.3 102,-0.1 -2,-0.4 -1,-0.1 0.663 87.1 67.6 -59.4 -16.4 21.2 89.2 71.5 57 60 A H T 345S+ 0 0 141 100,-0.2 -1,-0.2 1,-0.2 -3,-0.0 0.926 123.0 4.6 -77.3 -41.3 21.8 90.6 75.0 58 61 A D T <45S- 0 0 81 -3,-0.8 -2,-0.2 2,-0.1 -1,-0.2 0.150 96.2-118.0-125.5 9.3 18.7 92.8 75.4 59 62 A N T <5 + 0 0 26 -4,-1.5 2,-0.2 1,-0.2 -3,-0.2 0.778 62.6 145.0 58.5 28.8 16.8 92.0 72.2 60 63 A T B < +B 55 0B 34 -5,-0.6 -5,-1.9 -7,-0.1 -1,-0.2 -0.576 50.4 15.9 -88.2 162.9 16.9 95.6 70.8 61 64 A G S S+ 0 0 16 73,-0.4 -7,-0.2 -7,-0.2 3,-0.2 -0.214 72.5 120.7 67.6-159.6 17.3 96.2 67.1 62 65 A G S S- 0 0 8 -12,-0.2 5,-0.3 -13,-0.2 3,-0.3 -0.238 78.4 -67.3 90.3 175.2 16.6 93.5 64.5 63 66 A S S > S+ 0 0 2 206,-0.4 3,-1.2 203,-0.3 -1,-0.1 0.750 106.4 86.1 -75.0 -27.0 14.1 93.3 61.7 64 67 A Y T 3 S+ 0 0 23 205,-0.4 38,-0.4 1,-0.2 39,-0.2 0.862 89.8 42.5 -44.0 -52.7 10.8 93.2 63.7 65 68 A G T 3 S- 0 0 7 -3,-0.3 65,-1.7 -4,-0.2 -1,-0.2 0.633 89.0-140.1 -79.9 -15.5 10.1 96.9 64.3 66 69 A G X + 0 0 4 -3,-1.2 3,-1.5 -4,-0.2 4,-0.2 0.823 41.6 159.6 56.5 37.6 10.9 98.2 60.8 67 70 A T G > + 0 0 6 -5,-0.3 3,-1.7 1,-0.3 6,-0.4 0.581 48.9 88.6 -71.9 -6.6 12.6 101.2 62.4 68 71 A Y G 3 S+ 0 0 1 1,-0.3 -1,-0.3 5,-0.2 6,-0.2 0.730 75.3 70.4 -63.8 -21.4 14.6 102.0 59.3 69 72 A R G < S+ 0 0 73 -3,-1.5 2,-0.3 4,-0.1 -1,-0.3 0.781 86.1 88.1 -63.1 -23.3 11.6 104.2 58.1 70 73 A F S X> S- 0 0 31 -3,-1.7 4,-2.2 -4,-0.2 3,-0.9 -0.620 88.7-120.6 -82.8 138.1 12.6 106.6 60.9 71 74 A K H 3> S+ 0 0 147 -2,-0.3 4,-2.3 1,-0.2 -1,-0.1 0.737 105.7 59.9 -43.7 -42.6 15.1 109.3 60.3 72 75 A K H 34 S+ 0 0 84 1,-0.2 -1,-0.2 2,-0.2 -4,-0.1 0.947 116.5 33.6 -59.0 -45.5 17.8 108.3 62.9 73 76 A E H X4 S+ 0 0 4 -3,-0.9 3,-1.8 -6,-0.4 -2,-0.2 0.926 115.6 54.5 -75.6 -45.7 18.2 104.9 61.3 74 77 A F H 3< S+ 0 0 41 -4,-2.2 -2,-0.2 -7,-0.3 -1,-0.2 0.839 112.0 47.7 -58.1 -32.7 17.7 106.0 57.6 75 78 A N T 3< S+ 0 0 102 -4,-2.3 -1,-0.3 -5,-0.3 -2,-0.2 0.315 77.3 129.1 -93.2 9.0 20.4 108.6 58.1 76 79 A D X - 0 0 10 -3,-1.8 3,-2.3 1,-0.2 4,-0.1 -0.480 63.6-132.9 -58.6 128.7 23.0 106.3 59.7 77 80 A P G > S+ 0 0 101 0, 0.0 3,-1.6 0, 0.0 -1,-0.2 0.856 107.5 63.3 -57.1 -30.7 26.3 106.8 57.7 78 81 A S G 3 S+ 0 0 40 1,-0.3 -2,-0.1 3,-0.0 -3,-0.0 0.707 99.0 54.7 -63.4 -22.7 26.5 103.0 57.6 79 82 A N G X S+ 0 0 0 -3,-2.3 3,-1.8 -6,-0.2 4,-0.4 0.180 74.7 142.8 -94.8 11.8 23.3 102.9 55.5 80 83 A A T < S+ 0 0 26 -3,-1.6 101,-0.1 1,-0.2 -5,-0.1 -0.342 71.8 20.1 -55.0 121.9 24.5 105.3 52.8 81 84 A G T > S+ 0 0 6 -2,-0.1 3,-1.4 99,-0.1 4,-0.4 0.001 94.1 99.8 105.3 -24.9 23.1 104.2 49.4 82 85 A L T <> + 0 0 0 -3,-1.8 4,-2.2 1,-0.3 3,-0.4 0.671 62.0 81.1 -74.7 -10.0 20.2 102.1 50.8 83 86 A Q H 3> S+ 0 0 50 -4,-0.4 4,-2.6 1,-0.2 -1,-0.3 0.880 85.6 62.7 -55.7 -34.2 17.8 105.0 50.1 84 87 A N H <> S+ 0 0 60 -3,-1.4 4,-1.6 2,-0.2 -1,-0.2 0.918 105.4 43.1 -56.2 -45.7 17.9 103.6 46.6 85 88 A G H > S+ 0 0 0 -4,-0.4 4,-2.0 -3,-0.4 -2,-0.2 0.918 112.0 53.8 -70.1 -38.9 16.3 100.3 47.8 86 89 A F H X S+ 0 0 42 -4,-2.2 4,-1.6 1,-0.2 -2,-0.2 0.914 109.5 48.0 -61.7 -41.2 13.8 102.0 50.0 87 90 A K H < S+ 0 0 109 -4,-2.6 -1,-0.2 2,-0.2 -2,-0.2 0.873 107.6 55.5 -71.5 -31.3 12.5 104.1 47.1 88 91 A F H X S+ 0 0 4 -4,-1.6 4,-0.5 -5,-0.2 -1,-0.2 0.932 111.8 44.7 -60.7 -43.0 12.3 101.0 44.9 89 92 A L H >X S+ 0 0 2 -4,-2.0 4,-2.2 1,-0.2 3,-0.5 0.794 92.2 83.5 -74.3 -24.4 10.0 99.4 47.6 90 93 A E H 3X S+ 0 0 81 -4,-1.6 4,-2.0 1,-0.3 5,-0.2 0.858 90.8 46.7 -53.3 -47.3 7.8 102.5 48.2 91 94 A P H 3> S+ 0 0 64 0, 0.0 4,-2.1 0, 0.0 -1,-0.3 0.873 111.0 54.0 -60.3 -35.7 5.4 101.9 45.3 92 95 A I H < + 0 0 22 -4,-2.1 3,-1.4 -5,-0.2 -1,-0.3 -0.598 69.7 165.2-124.5 77.5 -0.0 96.7 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 67.5 70.4 -72.1 -14.9 -0.6 99.0 52.5 98 101 A W T 3 S+ 0 0 55 -3,-0.1 2,-0.2 2,-0.1 -89,-0.1 0.711 78.1 93.4 -72.3 -23.8 -1.5 96.0 54.8 99 102 A I S < S- 0 0 4 -3,-1.4 -3,-0.1 -6,-0.2 2,-0.0 -0.524 78.4-122.1 -75.1 137.8 2.1 94.6 54.9 100 103 A S > - 0 0 16 -2,-0.2 4,-2.1 27,-0.2 5,-0.2 -0.330 20.1-115.6 -70.1 159.1 4.3 95.8 57.8 101 104 A S H > S+ 0 0 7 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.945 114.4 51.4 -64.2 -43.9 7.6 97.6 57.1 102 105 A G H > S+ 0 0 0 -38,-0.4 4,-2.3 1,-0.2 5,-0.3 0.895 111.6 48.4 -57.6 -44.0 9.8 94.8 58.7 103 106 A D H > S+ 0 0 0 24,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.895 112.2 47.9 -67.4 -38.3 8.0 92.2 56.6 104 107 A L H X S+ 0 0 2 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.936 112.3 48.2 -67.9 -43.4 8.4 94.2 53.4 105 108 A F H X S+ 0 0 6 -4,-2.7 4,-1.3 2,-0.2 -2,-0.2 0.925 116.7 42.7 -65.6 -40.3 12.2 94.9 53.9 106 109 A S H X S+ 0 0 0 -4,-2.3 4,-2.2 -5,-0.2 -2,-0.2 0.939 113.7 50.7 -73.1 -37.2 13.0 91.3 54.7 107 110 A L H X S+ 0 0 0 -4,-2.2 4,-2.6 -5,-0.3 5,-0.2 0.875 104.4 59.6 -65.7 -33.9 10.8 89.9 51.9 108 111 A G H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.938 107.3 47.1 -55.6 -42.0 12.6 92.3 49.5 109 112 A G H X S+ 0 0 0 -4,-1.3 4,-1.9 2,-0.2 -2,-0.2 0.925 112.6 47.4 -67.9 -44.8 15.8 90.5 50.5 110 113 A V H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 5,-0.2 0.935 112.0 51.6 -61.4 -41.5 14.3 87.0 50.0 111 114 A T H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 5,-0.2 0.920 107.9 50.4 -62.7 -46.3 12.8 87.9 46.7 112 115 A A H X S+ 0 0 0 -4,-2.1 4,-2.1 -5,-0.2 6,-0.2 0.948 109.7 50.1 -62.8 -47.7 16.1 89.3 45.3 113 116 A V H <>S+ 0 0 0 -4,-1.9 5,-2.5 1,-0.2 82,-0.2 0.947 114.7 43.9 -55.0 -49.6 18.1 86.2 46.2 114 117 A Q H ><5S+ 0 0 6 -4,-2.2 3,-1.3 1,-0.2 -1,-0.2 0.920 114.0 49.3 -62.9 -42.3 15.6 83.8 44.6 115 118 A E H 3<5S+ 0 0 48 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.780 106.2 56.5 -73.2 -20.9 15.2 85.9 41.5 116 119 A M T 3<5S- 0 0 15 -4,-2.1 79,-3.2 -5,-0.2 -1,-0.3 0.128 128.3-102.2 -92.1 25.6 19.0 86.1 41.1 117 120 A Q T < 5S+ 0 0 135 -3,-1.3 -3,-0.2 77,-0.2 -2,-0.2 0.776 77.0 137.8 50.9 44.0 18.9 82.3 41.1 118 121 A G < - 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0 0 55 -34,-0.2 -4,-3.1 -4,-0.1 2,-0.3 -0.801 58.0-117.7-106.0 145.2 41.3 103.7 52.2 218 221 A E E +E 212 0E 95 -2,-0.3 2,-0.3 -6,-0.2 -6,-0.2 -0.632 38.8 161.0 -84.4 145.2 43.1 100.4 51.7 219 222 A Q E -E 211 0E 6 -8,-2.3 -8,-2.7 -2,-0.3 2,-0.5 -0.982 41.1-103.1-154.2 155.7 41.6 97.5 49.7 220 223 A W E -EF 210 228E 43 8,-2.2 8,-1.8 -2,-0.3 2,-0.3 -0.761 38.2-167.6 -88.3 123.3 42.7 94.4 47.9 221 224 A D E -EF 209 227E 31 -12,-2.6 -12,-2.2 -2,-0.5 2,-0.3 -0.854 6.7-154.2-112.7 141.2 42.8 94.7 44.1 222 225 A S E > -E 208 0E 13 4,-2.2 3,-2.0 -2,-0.3 -14,-0.1 -0.859 29.6-117.2-112.6 155.4 43.2 92.0 41.5 223 226 A K T 3 S+ 0 0 155 -16,-0.5 -1,-0.1 -2,-0.3 -15,-0.1 0.841 112.7 64.0 -60.8 -28.2 44.6 92.2 37.9 224 227 A S T 3 S- 0 0 69 1,-0.1 -1,-0.3 2,-0.0 -35,-0.0 0.482 123.3 -99.7 -71.5 -3.3 41.1 91.2 36.6 225 228 A G S < S+ 0 0 51 -3,-2.0 2,-0.2 1,-0.3 -2,-0.1 0.641 82.0 128.5 92.6 12.9 39.5 94.4 38.0 226 229 A Y - 0 0 40 -4,-0.1 -4,-2.2 -38,-0.1 -1,-0.3 -0.702 38.1-160.2 -99.9 157.7 38.0 92.7 41.2 227 230 A M E -F 221 0E 2 -40,-2.4 2,-0.3 -2,-0.2 -6,-0.2 -0.857 9.2-158.6-135.1 161.2 38.4 93.9 44.8 228 231 A M E -F 220 0E 4 -8,-1.8 -8,-2.2 -2,-0.3 -40,-0.0 -0.991 22.9-124.5-134.8 137.7 38.0 92.6 48.4 229 232 A L >> - 0 0 15 -2,-0.3 4,-2.5 -10,-0.2 3,-0.6 -0.513 31.9-108.6 -70.4 156.0 37.5 94.6 51.6 230 233 A P H 3> S+ 0 0 24 0, 0.0 4,-1.9 0, 0.0 -85,-0.2 0.929 124.6 52.5 -46.7 -46.6 40.0 94.1 54.5 231 234 A T H 34 S+ 0 0 15 -87,-2.0 4,-0.3 1,-0.2 -86,-0.1 0.831 109.8 47.8 -65.5 -26.9 37.2 92.2 56.3 232 235 A D H X4 S+ 0 0 4 -3,-0.6 3,-1.4 -88,-0.2 4,-0.3 0.890 108.4 52.1 -74.5 -42.4 36.7 89.9 53.3 233 236 A Y H >X S+ 0 0 44 -4,-2.5 3,-2.3 1,-0.3 4,-1.3 0.871 95.7 75.0 -65.0 -30.3 40.4 89.1 52.8 234 237 A S H 3X S+ 0 0 0 -4,-1.9 4,-2.0 1,-0.3 -1,-0.3 0.760 80.4 70.7 -39.2 -38.4 40.3 88.2 56.6 235 238 A L H <4 S+ 0 0 2 -3,-1.4 -1,-0.3 -4,-0.3 10,-0.3 0.727 103.2 39.1 -64.8 -27.1 38.5 85.0 55.6 236 239 A I H <4 S+ 0 0 36 -3,-2.3 -1,-0.2 -4,-0.3 -2,-0.2 0.688 110.7 60.5 -96.4 -16.2 41.7 83.5 54.0 237 240 A Q H < S+ 0 0 112 -4,-1.3 -2,-0.2 4,-0.0 -3,-0.1 0.872 94.8 70.0 -71.4 -34.6 44.0 84.9 56.7 238 241 A D S X S- 0 0 24 -4,-2.0 4,-2.7 1,-0.1 5,-0.2 -0.701 76.6-140.6 -89.3 135.3 42.3 83.0 59.6 239 242 A P H > S+ 0 0 101 0, 0.0 4,-1.5 0, 0.0 -1,-0.1 0.895 100.4 47.4 -63.9 -39.7 42.7 79.2 59.8 240 243 A K H > S+ 0 0 113 2,-0.2 4,-1.0 1,-0.2 3,-0.3 0.976 116.2 43.5 -66.6 -48.6 39.1 78.4 60.9 241 244 A Y H >> S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 3,-0.6 0.915 108.5 59.6 -61.0 -44.0 37.5 80.7 58.3 242 245 A L H 3X S+ 0 0 46 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.862 100.9 53.7 -57.7 -38.4 39.9 79.4 55.5 243 246 A S H 3X S+ 0 0 74 -4,-1.5 4,-1.4 -3,-0.3 -1,-0.2 0.845 111.9 45.3 -63.3 -33.3 38.8 75.7 55.9 244 247 A I H < S+ 0 0 0 -4,-2.5 3,-0.6 1,-0.2 -2,-0.2 0.821 108.5 57.6 -70.0 -31.1 32.3 76.3 49.8 249 252 A A H 3< S+ 0 0 9 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.859 113.6 41.2 -67.4 -27.2 34.7 76.9 46.8 250 253 A N T 3< S+ 0 0 138 -4,-1.2 -1,-0.2 1,-0.2 -2,-0.2 0.422 120.0 40.7-101.9 7.5 34.5 73.1 46.2 251 254 A D <> - 0 0 73 -3,-0.6 4,-1.9 -4,-0.3 -1,-0.2 -0.621 53.2-179.5-154.4 92.2 30.7 72.5 46.8 252 255 A Q H > S+ 0 0 130 1,-0.2 4,-2.6 2,-0.2 5,-0.1 0.912 85.8 55.3 -57.7 -42.7 28.1 75.1 45.5 253 256 A D H > S+ 0 0 97 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.897 106.6 48.1 -59.1 -47.2 25.1 73.1 46.9 254 257 A K H > S+ 0 0 69 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.912 111.9 52.0 -63.0 -41.5 26.4 73.0 50.5 255 258 A F H X S+ 0 0 0 -4,-1.9 4,-2.6 2,-0.2 5,-0.2 0.951 110.4 48.0 -60.1 -46.0 27.1 76.8 50.2 256 259 A F H X S+ 0 0 44 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.950 114.2 46.4 -60.4 -44.0 23.4 77.3 49.0 257 260 A K H X S+ 0 0 94 -4,-2.7 4,-1.7 1,-0.2 -1,-0.2 0.912 115.0 45.2 -62.4 -46.1 22.0 75.2 51.8 258 261 A D H X S+ 0 0 15 -4,-2.7 4,-2.0 -5,-0.2 -1,-0.2 0.897 112.4 51.6 -71.6 -33.8 24.1 76.9 54.6 259 262 A F H X S+ 0 0 2 -4,-2.6 4,-2.9 -5,-0.3 5,-0.3 0.940 106.6 54.6 -64.0 -46.3 23.4 80.4 53.2 260 263 A S H X S+ 0 0 19 -4,-2.2 4,-2.4 -5,-0.2 5,-0.2 0.940 111.4 43.5 -54.6 -47.5 19.7 79.8 53.2 261 264 A K H X S+ 0 0 127 -4,-1.7 4,-2.6 1,-0.2 -1,-0.2 0.930 116.3 46.4 -64.5 -42.0 19.6 78.8 56.9 262 265 A A H X S+ 0 0 2 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.862 112.7 49.3 -74.1 -29.0 21.9 81.5 58.1 263 266 A F H X S+ 0 0 5 -4,-2.9 4,-1.7 2,-0.2 -2,-0.2 0.893 112.4 48.0 -77.6 -36.7 20.0 84.2 56.1 264 267 A E H X S+ 0 0 34 -4,-2.4 4,-1.5 -5,-0.3 3,-0.2 0.970 112.3 50.0 -66.7 -44.2 16.6 83.1 57.4 265 268 A K H >X S+ 0 0 55 -4,-2.6 4,-1.3 -5,-0.2 3,-0.6 0.942 109.4 52.2 -57.7 -44.9 18.1 83.0 61.0 266 269 A L H 3< S+ 0 0 3 -4,-2.1 -203,-0.3 1,-0.2 3,-0.2 0.886 111.4 46.0 -53.9 -45.3 19.5 86.6 60.5 267 270 A L H 3< S+ 0 0 3 -4,-1.7 -1,-0.2 -3,-0.2 -2,-0.2 0.679 116.9 44.2 -75.6 -23.1 16.1 87.9 59.4 268 271 A E H X< S+ 0 0 32 -4,-1.5 3,-2.0 -3,-0.6 -2,-0.2 0.476 79.4 127.6 -98.9 -6.9 14.2 86.1 62.3 269 272 A N T 3< S+ 0 0 20 -4,-1.3 -206,-0.4 1,-0.3 -205,-0.4 -0.246 76.5 18.7 -58.1 134.7 16.6 87.0 65.2 270 273 A G T 3 S+ 0 0 16 1,-0.2 -267,-0.5 -208,-0.1 2,-0.5 0.340 98.3 115.2 87.1 -0.3 14.8 88.6 68.1 271 274 A I < - 0 0 17 -3,-2.0 2,-0.6 -269,-0.1 -1,-0.2 -0.841 52.8-150.3-108.4 129.5 11.3 87.4 67.1 272 275 A T B -a 4 0A 70 -269,-3.3 -267,-2.7 -2,-0.5 -3,-0.0 -0.849 11.2-154.7 -95.6 122.2 9.1 85.0 69.1 273 276 A F - 0 0 41 -2,-0.6 -267,-0.1 -269,-0.2 -269,-0.1 -0.878 17.9-126.8 -99.0 117.4 6.8 82.9 66.9 274 277 A P > - 0 0 40 0, 0.0 3,-2.7 0, 0.0 -270,-0.0 -0.307 25.4-115.7 -54.0 141.6 3.6 81.6 68.8 275 278 A K T 3 S+ 0 0 199 1,-0.3 -2,-0.0 0, 0.0 0, 0.0 0.735 117.0 54.0 -61.9 -20.2 3.3 77.8 68.4 276 279 A D T 3 S+ 0 0 145 2,-0.0 -1,-0.3 0, 0.0 -3,-0.0 0.209 84.0 117.0 -89.1 9.4 0.0 78.2 66.5 277 280 A A S < S- 0 0 27 -3,-2.7 -4,-0.0 1,-0.1 -151,-0.0 -0.412 75.7 -93.2 -68.9 156.4 1.8 80.6 63.9 278 281 A P - 0 0 57 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.259 43.8 -97.2 -67.1 157.9 1.9 79.4 60.3 279 282 A S - 0 0 93 1,-0.1 -156,-0.1 -155,-0.1 2,-0.0 -0.266 54.6 -76.8 -56.6 160.3 4.9 77.5 58.9 280 283 A P - 0 0 52 0, 0.0 2,-0.3 0, 0.0 -156,-0.2 -0.362 50.9-126.6 -57.4 136.6 7.6 79.3 56.9 281 284 A F B -C 123 0C 24 -158,-3.5 -158,-2.1 -3,-0.1 2,-0.6 -0.666 13.2-156.0 -85.2 147.1 6.4 80.0 53.3 282 285 A I - 0 0 79 -2,-0.3 2,-0.3 -160,-0.2 -162,-0.0 -0.963 20.8-150.4-111.1 109.1 8.6 78.9 50.3 283 286 A F - 0 0 0 -2,-0.6 2,-0.3 -162,-0.3 -162,-0.1 -0.609 9.9-123.3 -82.7 145.6 7.7 81.3 47.4 284 287 A K - 0 0 106 -2,-0.3 2,-0.1 1,-0.1 -1,-0.0 -0.608 26.4-120.5 -80.3 141.3 7.8 80.3 43.8 285 288 A T > - 0 0 15 -2,-0.3 4,-1.5 1,-0.1 6,-0.2 -0.353 26.6-107.6 -70.5 162.3 10.0 82.3 41.5 286 289 A L H >>>S+ 0 0 0 1,-0.2 5,-2.0 2,-0.2 3,-0.8 0.983 122.0 54.5 -55.8 -42.4 8.4 84.1 38.4 287 290 A E H >45S+ 0 0 165 1,-0.3 3,-1.1 2,-0.2 -1,-0.2 0.897 106.0 49.1 -57.4 -46.5 10.2 81.5 36.2 288 291 A E H 345S+ 0 0 112 1,-0.2 -1,-0.3 2,-0.1 -2,-0.2 0.781 114.3 48.1 -66.9 -21.9 8.7 78.6 38.1 289 292 A Q H <<5S- 0 0 59 -4,-1.5 -1,-0.2 -3,-0.8 -2,-0.2 0.507 110.8-122.9 -91.0 -4.0 5.3 80.3 37.7 290 293 A G T <<5 0 0 68 -3,-1.1 -3,-0.2 -4,-0.8 -4,-0.1 0.748 360.0 360.0 67.5 19.0 5.8 80.9 34.0 291 294 A L < 0 0 103 -5,-2.0 -1,-0.2 -6,-0.2 -2,-0.1 -0.394 360.0 360.0 -92.8 360.0 5.3 84.7 34.5