==== 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 02-JAN-98 1CCL . 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) . 12957.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 184 63.2 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 . 42 14.4 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 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 0 132 0, 0.0 2,-0.4 0, 0.0 59,-0.0 0.000 360.0 360.0 360.0 137.1 12.2 78.2 113.8 2 5 A V - 0 0 109 2,-0.0 2,-0.5 269,-0.0 269,-0.1 -0.950 360.0-166.4-114.6 139.6 13.8 77.4 110.4 3 6 A H - 0 0 28 -2,-0.4 269,-3.2 267,-0.2 2,-0.4 -0.898 7.9-163.4-129.3 102.0 14.7 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 -0.703 22.3-119.2 -90.9 130.4 17.0 73.3 106.7 5 8 A A - 0 0 12 267,-2.9 2,-0.5 -2,-0.4 122,-0.2 -0.576 29.5-170.5 -66.3 127.8 17.2 70.0 105.1 6 9 A S - 0 0 72 120,-2.7 120,-0.2 -2,-0.3 3,-0.1 -0.931 20.5-129.6-121.5 105.8 20.8 68.6 105.3 7 10 A V - 0 0 52 -2,-0.5 3,-0.1 118,-0.1 5,-0.0 -0.247 35.9 -99.9 -51.4 132.6 21.6 65.4 103.2 8 11 A E > - 0 0 21 1,-0.2 3,-2.3 2,-0.1 -1,-0.1 -0.315 60.9 -83.0 -55.3 131.6 23.4 62.7 105.3 9 12 A K T 3 S- 0 0 199 1,-0.3 -1,-0.2 89,-0.1 3,-0.1 -0.160 103.8 -7.9 -62.4 116.3 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 0.451 96.9 136.3 87.5 5.4 28.1 61.3 101.3 11 14 A R < + 0 0 89 -3,-2.3 -1,-0.2 3,-0.0 2,-0.2 -0.567 27.1 179.5 -92.0 140.9 24.8 59.5 100.7 12 15 A S >> - 0 0 46 -2,-0.3 4,-1.5 -3,-0.1 3,-0.7 -0.730 48.7 -75.6-121.7-176.7 23.0 59.2 97.4 13 16 A Y H 3> S+ 0 0 66 -2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.889 125.3 56.6 -41.5 -51.7 19.9 57.6 95.9 14 17 A E H 3> S+ 0 0 116 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.869 103.4 53.3 -58.9 -36.2 21.5 54.0 96.0 15 18 A D H <> S+ 0 0 30 -3,-0.7 4,-1.3 2,-0.2 -1,-0.2 0.950 112.0 44.7 -62.1 -45.1 22.1 54.2 99.7 16 19 A F H X S+ 0 0 0 -4,-1.5 4,-2.5 1,-0.2 3,-0.3 0.911 106.6 59.3 -70.8 -36.4 18.5 55.1 100.5 17 20 A Q H X S+ 0 0 13 -4,-2.7 4,-2.8 1,-0.2 -1,-0.2 0.862 103.9 53.8 -57.2 -32.3 17.2 52.4 98.1 18 21 A K H X S+ 0 0 101 -4,-1.5 4,-2.3 -5,-0.2 -1,-0.2 0.880 107.4 48.3 -71.4 -36.5 19.1 49.9 100.3 19 22 A V H X S+ 0 0 0 -4,-1.3 4,-2.2 -3,-0.3 -2,-0.2 0.944 112.4 49.7 -68.3 -42.8 17.3 51.1 103.4 20 23 A Y H X S+ 0 0 0 -4,-2.5 4,-3.0 2,-0.2 5,-0.2 0.960 110.7 51.2 -54.1 -55.9 13.9 50.9 101.5 21 24 A N H X S+ 0 0 24 -4,-2.8 4,-2.6 1,-0.2 5,-0.3 0.922 108.2 50.7 -49.5 -45.3 14.9 47.3 100.4 22 25 A A H X S+ 0 0 18 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.906 112.9 45.9 -62.0 -42.7 15.7 46.3 104.0 23 26 A I H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.950 114.0 49.1 -63.6 -45.3 12.3 47.6 105.3 24 27 A A H X S+ 0 0 1 -4,-3.0 4,-2.0 2,-0.2 -2,-0.2 0.898 111.1 48.9 -63.3 -41.5 10.4 45.9 102.4 25 28 A L H X S+ 0 0 71 -4,-2.6 4,-2.3 -5,-0.2 -1,-0.2 0.893 112.0 48.6 -65.0 -42.3 12.2 42.5 102.9 26 29 A K H X S+ 0 0 43 -4,-1.9 4,-2.6 -5,-0.3 -2,-0.2 0.870 108.2 54.9 -68.9 -31.2 11.4 42.6 106.6 27 30 A L H < S+ 0 0 23 -4,-2.2 12,-0.3 1,-0.2 -2,-0.2 0.945 110.4 47.5 -61.4 -44.4 7.7 43.5 105.8 28 31 A R H >< S+ 0 0 132 -4,-2.0 3,-0.6 -5,-0.2 -2,-0.2 0.916 114.7 45.6 -60.1 -42.6 7.6 40.4 103.7 29 32 A E H 3< S+ 0 0 131 -4,-2.3 2,-1.2 1,-0.2 3,-0.3 0.955 107.8 53.4 -70.5 -48.1 9.2 38.2 106.3 30 33 A D T >< + 0 0 29 -4,-2.6 3,-1.2 1,-0.2 -1,-0.2 -0.122 67.1 140.9 -87.8 50.6 7.2 39.3 109.4 31 34 A D T < + 0 0 83 -2,-1.2 -1,-0.2 -3,-0.6 -2,-0.1 0.597 55.1 70.2 -67.1 -14.2 3.8 38.6 107.8 32 35 A E T 3> + 0 0 84 -3,-0.3 4,-2.3 4,-0.1 3,-0.3 0.687 67.0 120.4 -84.0 -19.2 2.1 37.2 110.9 33 36 A Y H <>>S+ 0 0 37 -3,-1.2 5,-2.4 2,-0.2 4,-1.1 -0.120 79.6 8.7 -54.0 142.8 1.8 40.4 113.0 34 37 A D H >45S- 0 0 42 1,-0.2 3,-1.0 2,-0.2 -1,-0.2 0.951 141.4 -46.6 50.7 59.7 -1.6 41.5 114.2 35 38 A N H 345S- 0 0 151 -3,-0.3 -2,-0.2 1,-0.2 -1,-0.2 0.929 112.9 -48.6 47.6 53.9 -3.3 38.3 112.9 36 39 A Y H 3<5S+ 0 0 154 -4,-2.3 -1,-0.2 1,-0.1 -2,-0.2 0.660 108.8 115.5 65.9 16.6 -1.6 38.3 109.5 37 40 A I T <<5 - 0 0 12 -4,-1.1 3,-0.3 -3,-1.0 -3,-0.2 0.861 68.1-147.8 -74.7 -33.9 -2.3 41.9 108.6 38 41 A G < - 0 0 9 -5,-2.4 4,-0.4 1,-0.1 -7,-0.1 -0.359 28.1 -70.0 89.9 177.6 1.5 42.5 108.7 39 42 A Y S > S+ 0 0 39 -12,-0.3 4,-1.7 -9,-0.1 5,-0.2 0.559 103.5 94.9 -90.2 -2.1 3.4 45.7 109.7 40 43 A G H > S+ 0 0 5 -3,-0.3 4,-2.1 2,-0.2 3,-0.3 0.947 85.2 48.5 -51.4 -55.4 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,-0.4 0.959 112.1 46.6 -53.9 -53.1 -0.5 49.6 108.4 42 45 A V H > S+ 0 0 18 -4,-0.4 4,-2.4 1,-0.2 -2,-0.2 0.838 110.0 55.8 -66.2 -23.9 1.3 50.5 111.7 43 46 A L H X S+ 0 0 1 -4,-1.7 4,-2.2 -3,-0.3 -1,-0.2 0.905 108.3 45.7 -74.2 -38.5 4.2 51.9 109.7 44 47 A V H X S+ 0 0 9 -4,-2.1 4,-2.1 -3,-0.4 5,-0.2 0.944 112.6 52.5 -74.1 -29.4 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 0.934 109.2 50.1 -62.6 -41.6 0.4 55.3 111.1 46 49 A L H X S+ 0 0 0 -4,-2.4 4,-2.3 -5,-0.2 5,-0.3 0.944 108.9 51.1 -60.9 -45.6 3.9 56.0 112.6 47 50 A A H X S+ 0 0 0 -4,-2.2 4,-1.0 1,-0.2 -1,-0.2 0.891 112.7 46.3 -61.9 -35.9 4.9 58.2 109.7 48 51 A W H X S+ 0 0 49 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.916 111.8 50.8 -73.7 -43.5 1.6 60.3 110.0 49 52 A H H < S+ 0 0 12 -4,-2.7 4,-0.4 2,-0.2 -2,-0.2 0.889 109.6 48.1 -66.1 -36.5 1.9 60.6 113.9 50 53 A I H < S+ 0 0 4 -4,-2.3 3,-0.2 -5,-0.2 -1,-0.2 0.824 120.9 40.3 -70.5 -25.7 5.6 61.9 113.8 51 54 A S H >< S+ 0 0 0 -4,-1.0 3,-1.3 -5,-0.3 -2,-0.2 0.779 102.5 69.7 -83.8 -29.3 4.5 64.4 111.1 52 55 A G T 3< S+ 0 0 0 -4,-2.5 -1,-0.1 1,-0.3 -2,-0.1 0.482 80.5 75.1 -73.9 -6.8 1.1 65.3 112.6 53 56 A T T 3 S+ 0 0 5 -4,-0.4 -1,-0.3 -3,-0.2 2,-0.2 0.399 71.1 123.8 -82.2 -0.7 2.6 67.3 115.5 54 57 A W < - 0 0 20 -3,-1.3 2,-0.6 7,-0.3 7,-0.2 -0.430 45.3-161.9 -69.6 135.9 3.5 70.2 113.2 55 58 A D B >>> -B 60 0B 30 5,-2.6 4,-1.5 -2,-0.2 3,-0.9 -0.886 8.6-158.6-115.1 110.7 2.2 73.6 113.9 56 59 A K T 345S+ 0 0 75 101,-2.4 -1,-0.1 -2,-0.6 102,-0.1 0.717 85.9 67.3 -56.4 -20.6 2.3 76.1 110.9 57 60 A H T 345S+ 0 0 135 100,-0.2 -1,-0.2 1,-0.2 100,-0.0 0.898 122.6 7.0 -73.5 -39.7 2.2 79.1 113.3 58 61 A D T <45S- 0 0 75 -3,-0.9 -2,-0.2 2,-0.1 -1,-0.2 0.264 97.0-117.8-122.5 5.1 5.7 78.7 114.9 59 62 A N T <5 + 0 0 25 -4,-1.5 -3,-0.2 1,-0.2 2,-0.1 0.733 64.8 143.3 63.5 18.6 7.2 75.8 112.8 60 63 A T B < +B 55 0B 33 -5,-0.6 -5,-2.6 -7,-0.0 -1,-0.2 -0.522 48.7 14.0 -81.8 161.1 7.4 73.5 115.9 61 64 A G S S+ 0 0 14 73,-0.4 -7,-0.3 -7,-0.2 3,-0.3 -0.196 71.2 115.1 71.4-164.3 6.8 69.7 115.6 62 65 A G S S- 0 0 5 -12,-0.2 3,-0.3 -13,-0.2 5,-0.3 -0.160 81.6 -60.3 90.5 176.3 6.6 67.8 112.3 63 66 A S S > S+ 0 0 2 203,-0.3 3,-1.1 206,-0.3 -1,-0.2 0.690 106.1 87.8 -73.5 -18.7 8.9 65.0 111.0 64 67 A Y T 3 S+ 0 0 25 205,-0.4 38,-0.4 -3,-0.3 39,-0.2 0.899 88.2 41.2 -49.3 -52.8 12.3 66.9 110.8 65 68 A G T 3 S- 0 0 7 -3,-0.3 65,-2.0 -4,-0.2 -1,-0.2 0.505 91.0-135.5 -83.6 -4.4 13.8 66.4 114.3 66 69 A G X + 0 0 3 -3,-1.1 3,-1.6 -4,-0.2 4,-0.1 0.784 45.4 158.3 53.3 34.1 12.8 62.7 114.8 67 70 A T G > + 0 0 6 -5,-0.3 3,-1.9 1,-0.3 6,-0.4 0.574 49.1 87.3 -72.2 -6.5 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 0.816 77.3 73.1 -57.8 -25.2 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 0.730 85.0 86.6 -60.3 -24.4 12.7 58.7 119.9 70 73 A F S X> S- 0 0 29 -3,-1.9 4,-2.8 -4,-0.1 3,-0.5 -0.621 88.2-120.7 -86.3 143.5 12.3 60.8 123.1 71 74 A K H 3> S+ 0 0 139 -2,-0.3 4,-2.8 1,-0.2 5,-0.1 0.800 105.7 58.0 -45.8 -50.6 10.2 59.6 126.0 72 75 A K H 34 S+ 0 0 85 1,-0.2 -1,-0.2 2,-0.2 -4,-0.1 0.921 117.6 32.6 -51.5 -52.1 7.7 62.5 126.1 73 76 A E H X4 S+ 0 0 5 -3,-0.5 3,-1.4 -6,-0.4 -2,-0.2 0.895 116.6 56.3 -72.6 -42.7 6.5 61.9 122.6 74 77 A F H 3< S+ 0 0 42 -4,-2.8 -2,-0.2 -7,-0.3 -3,-0.2 0.880 111.6 44.5 -57.1 -38.3 7.0 58.1 122.6 75 78 A N T 3< S+ 0 0 104 -4,-2.8 -1,-0.3 -5,-0.3 -2,-0.2 0.292 79.6 131.4 -93.3 9.3 4.7 57.8 125.7 76 79 A D X - 0 0 9 -3,-1.4 3,-2.8 1,-0.1 4,-0.2 -0.486 63.2-130.6 -56.0 123.4 2.0 60.2 124.3 77 80 A P G > S+ 0 0 102 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 0.875 108.3 60.4 -43.2 -42.0 -1.5 58.4 124.8 78 81 A S G 3 S+ 0 0 40 1,-0.3 -2,-0.1 63,-0.1 -3,-0.0 0.652 100.4 55.2 -62.5 -18.5 -2.3 59.2 121.2 79 82 A N G X S+ 0 0 1 -3,-2.8 3,-2.2 -6,-0.1 4,-0.3 0.310 75.6 141.2 -96.8 8.3 0.8 57.2 120.1 80 83 A A T < S+ 0 0 24 -3,-1.8 -5,-0.1 1,-0.3 101,-0.1 -0.271 70.6 19.8 -58.1 123.3 -0.3 54.0 121.9 81 84 A G T > S+ 0 0 5 99,-0.1 3,-1.1 100,-0.0 4,-0.4 0.149 94.1 100.5 101.4 -16.9 0.5 50.9 119.8 82 85 A L T X> + 0 0 0 -3,-2.2 4,-2.3 1,-0.2 3,-0.6 0.708 60.4 83.1 -75.2 -11.2 3.1 52.6 117.6 83 86 A Q H 3> S+ 0 0 50 -4,-0.3 4,-2.7 1,-0.3 -1,-0.2 0.817 85.4 60.6 -59.2 -29.2 5.9 51.0 119.8 84 87 A N H <> S+ 0 0 50 -3,-1.1 4,-1.5 2,-0.2 -1,-0.3 0.893 105.0 45.1 -62.0 -44.8 5.3 48.0 117.5 85 88 A G H <> S+ 0 0 0 -3,-0.6 4,-1.8 -4,-0.4 -2,-0.2 0.908 113.0 52.2 -70.0 -38.0 6.3 50.0 114.4 86 89 A F H X S+ 0 0 47 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.945 108.3 49.1 -60.2 -48.7 9.3 51.4 116.3 87 90 A K H < S+ 0 0 116 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.842 108.6 55.5 -63.0 -30.7 10.6 48.0 117.4 88 91 A F H < S+ 0 0 4 -4,-1.5 4,-0.4 1,-0.2 -1,-0.2 0.921 111.2 43.3 -63.1 -46.1 10.2 46.8 113.7 89 92 A L H >X S+ 0 0 2 -4,-1.8 4,-1.9 1,-0.2 3,-0.6 0.757 93.6 82.9 -74.4 -25.9 12.4 49.6 112.5 90 93 A E H 3X S+ 0 0 84 -4,-1.8 4,-2.0 1,-0.2 3,-0.3 0.881 89.3 48.0 -51.9 -50.0 15.1 49.4 115.2 91 94 A P H 3> S+ 0 0 61 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.836 111.0 56.1 -57.0 -31.1 17.2 46.4 113.6 92 95 A I H <> S+ 0 0 5 -3,-0.6 4,-1.5 -4,-0.4 -2,-0.2 0.906 104.9 49.2 -71.8 -35.9 17.1 48.4 110.4 93 96 A H H < S+ 0 0 46 -4,-1.9 3,-0.2 -3,-0.3 -1,-0.2 0.901 108.5 53.7 -68.4 -38.2 18.6 51.5 112.1 94 97 A K H < S+ 0 0 144 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.851 109.7 50.4 -59.7 -33.6 21.4 49.3 113.6 95 98 A E H < S+ 0 0 126 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.784 124.3 26.0 -74.9 -32.6 22.1 48.1 110.0 96 99 A F S >< S+ 0 0 22 -4,-1.5 3,-1.6 -3,-0.2 -1,-0.3 -0.596 71.6 169.5-128.5 72.4 22.3 51.6 108.5 97 100 A P T 3 + 0 0 100 0, 0.0 -3,-0.1 0, 0.0 -1,-0.1 0.662 67.9 70.3 -62.9 -17.2 23.3 53.8 111.5 98 101 A W T 3 S+ 0 0 56 -3,-0.1 2,-0.2 2,-0.1 -89,-0.1 0.703 75.4 93.5 -75.0 -23.1 24.0 56.9 109.3 99 102 A I S < S- 0 0 4 -3,-1.6 2,-0.1 -6,-0.2 -3,-0.1 -0.517 79.7-119.2 -72.8 139.2 20.3 57.6 108.4 100 103 A S > - 0 0 14 27,-0.2 4,-2.3 -2,-0.2 5,-0.2 -0.398 20.7-115.2 -68.2 158.7 18.6 60.2 110.7 101 104 A S H > S+ 0 0 8 2,-0.2 4,-3.0 1,-0.2 5,-0.3 0.955 114.6 50.6 -57.2 -52.9 15.5 59.1 112.7 102 105 A G H > S+ 0 0 0 -38,-0.4 4,-2.3 1,-0.2 5,-0.3 0.900 111.9 49.1 -53.0 -46.3 13.0 61.5 110.9 103 106 A D H > S+ 0 0 0 -39,-0.2 4,-2.3 24,-0.2 -1,-0.2 0.936 113.7 45.5 -60.5 -42.2 14.3 60.1 107.6 104 107 A L H X S+ 0 0 3 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.956 114.1 47.4 -66.0 -48.9 13.9 56.4 108.7 105 108 A F H X S+ 0 0 7 -4,-3.0 4,-1.2 1,-0.2 -2,-0.2 0.927 117.0 43.5 -58.1 -44.1 10.4 56.9 110.3 106 109 A S H X S+ 0 0 0 -4,-2.3 4,-1.8 -5,-0.3 -1,-0.2 0.887 112.1 52.0 -71.9 -38.6 9.1 58.8 107.2 107 110 A L H X S+ 0 0 0 -4,-2.3 4,-2.8 -5,-0.3 5,-0.2 0.894 102.4 60.4 -66.0 -35.3 10.7 56.3 104.8 108 111 A G H X S+ 0 0 1 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.912 105.1 49.8 -53.9 -41.6 9.0 53.4 106.6 109 112 A G H X S+ 0 0 0 -4,-1.2 4,-2.0 -66,-0.2 -1,-0.2 0.931 112.4 46.4 -61.9 -47.2 5.6 55.0 105.8 110 113 A V H X S+ 0 0 0 -4,-1.8 4,-1.8 2,-0.2 -2,-0.2 0.880 112.7 49.6 -59.8 -44.5 6.6 55.4 102.0 111 114 A T H X S+ 0 0 0 -4,-2.8 4,-2.4 2,-0.2 5,-0.2 0.932 109.4 52.6 -64.4 -43.5 7.9 51.8 101.8 112 115 A A H X S+ 0 0 0 -4,-2.4 4,-2.2 -5,-0.2 6,-0.2 0.932 109.4 48.0 -58.0 -48.9 4.7 50.4 103.4 113 116 A V H <>S+ 0 0 0 -4,-2.0 5,-2.6 1,-0.2 -1,-0.2 0.909 114.9 44.4 -60.3 -43.8 2.4 52.2 101.0 114 117 A Q H ><5S+ 0 0 7 -4,-1.8 3,-1.0 3,-0.2 -1,-0.2 0.899 113.0 49.3 -73.2 -37.4 4.3 51.1 97.9 115 118 A E H 3<5S+ 0 0 42 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.838 104.6 60.6 -69.9 -29.7 4.8 47.5 99.0 116 119 A M T 3<5S- 0 0 15 -4,-2.2 79,-3.1 -5,-0.2 -1,-0.2 0.125 128.9 -97.9 -79.9 25.3 1.0 47.3 99.8 117 120 A Q T < 5S+ 0 0 125 -3,-1.0 -3,-0.2 77,-0.2 -2,-0.1 0.717 81.4 139.7 64.8 23.0 0.4 48.1 96.1 118 121 A G < - 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0 0 32 -2,-0.7 3,-0.5 -26,-0.2 -23,-0.1 -0.924 67.2 -98.8-144.4 177.6 -7.2 50.6 97.6 197 200 A N S >> S+ 0 0 19 -2,-0.3 4,-1.4 1,-0.2 3,-0.8 0.214 79.5 122.1 -86.5 25.7 -10.1 53.1 97.5 198 201 A E H 3> + 0 0 23 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.810 59.2 65.0 -58.8 -38.0 -12.2 50.7 99.6 199 202 A K H 3> S+ 0 0 5 -3,-0.5 4,-2.2 -29,-0.3 -1,-0.2 0.902 104.5 46.9 -52.6 -40.1 -12.8 53.3 102.5 200 203 A Y H <> S+ 0 0 0 -3,-0.8 4,-2.0 2,-0.2 -1,-0.2 0.917 111.3 49.4 -71.9 -43.7 -14.8 55.5 100.2 201 204 A L H X S+ 0 0 65 -4,-1.4 4,-2.8 2,-0.2 5,-0.3 0.952 113.3 47.5 -61.9 -44.5 -16.9 52.5 98.8 202 205 A N H X S+ 0 0 16 -4,-2.8 4,-1.9 1,-0.2 -2,-0.2 0.907 109.4 54.2 -62.1 -39.5 -17.6 51.3 102.4 203 206 A L H < S+ 0 0 6 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.896 118.7 34.4 -60.8 -40.1 -18.6 54.9 103.4 204 207 A L H < S+ 0 0 61 -4,-2.0 -2,-0.2 -5,-0.1 -1,-0.2 0.781 126.6 35.9 -87.0 -25.8 -21.1 55.1 100.6 205 208 A N H < S+ 0 0 113 -4,-2.8 -3,-0.2 -5,-0.2 2,-0.2 0.647 91.5 89.4-110.9 -13.7 -22.4 51.4 100.4 206 209 A E S < S- 0 0 47 -4,-1.9 2,-1.1 -5,-0.3 16,-0.0 -0.489 73.2-123.1 -85.1 155.9 -22.6 50.0 103.9 207 210 A D - 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0 0 15 -2,-0.3 4,-2.4 -10,-0.2 3,-0.4 -0.525 30.2-112.7 -71.5 154.7 -14.7 56.3 113.6 230 233 A P H > S+ 0 0 22 0, 0.0 4,-1.9 0, 0.0 -85,-0.2 0.928 121.6 54.0 -48.4 -46.9 -17.0 59.3 114.3 231 234 A T H > S+ 0 0 14 -87,-1.7 4,-0.5 1,-0.2 -86,-0.1 0.844 107.7 49.2 -63.2 -27.9 -14.4 61.5 112.4 232 235 A D H >4 S+ 0 0 0 -3,-0.4 3,-1.5 -88,-0.2 4,-0.3 0.926 105.9 56.2 -71.4 -42.4 -14.6 59.1 109.4 233 236 A Y H >X S+ 0 0 48 -4,-2.4 3,-2.1 1,-0.3 4,-1.0 0.869 94.3 72.0 -56.6 -34.4 -18.4 59.4 109.5 234 237 A S H >X S+ 0 0 0 -4,-1.9 4,-2.3 1,-0.3 3,-0.5 0.828 82.1 70.5 -41.6 -39.3 -17.8 63.2 109.2 235 238 A L H << S+ 0 0 2 -3,-1.5 10,-0.3 -4,-0.5 -1,-0.3 0.648 106.1 36.2 -64.5 -18.6 -16.7 62.7 105.6 236 239 A I H <4 S+ 0 0 37 -3,-2.1 -1,-0.3 -4,-0.3 -2,-0.2 0.509 112.3 59.5-107.0 -11.1 -20.2 61.9 104.5 237 240 A Q H << S+ 0 0 114 -4,-1.0 -2,-0.2 -3,-0.5 -3,-0.1 0.811 94.8 70.7 -79.5 -34.7 -22.0 64.3 106.9 238 241 A D S X S- 0 0 26 -4,-2.3 4,-2.7 1,-0.1 5,-0.2 -0.749 76.9-144.4 -86.5 129.6 -20.2 67.4 105.4 239 242 A P H > S+ 0 0 101 0, 0.0 4,-1.4 0, 0.0 -1,-0.1 0.806 99.1 48.6 -61.7 -36.1 -21.4 68.3 101.9 240 243 A K H > S+ 0 0 114 2,-0.2 4,-1.3 1,-0.1 3,-0.1 0.951 114.6 44.6 -69.1 -47.2 -17.9 69.4 100.7 241 244 A Y H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 3,-0.4 0.956 109.5 58.6 -61.9 -43.3 -16.1 66.2 102.0 242 245 A L H X S+ 0 0 47 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.865 100.5 53.4 -56.5 -40.6 -18.9 64.1 100.6 243 246 A S H X S+ 0 0 72 -4,-1.4 4,-1.2 1,-0.2 -1,-0.2 0.918 111.8 46.7 -66.9 -30.6 -18.5 65.2 96.9 244 247 A I H X S+ 0 0 10 -4,-1.3 4,-2.3 -3,-0.4 3,-0.4 0.947 107.9 55.5 -72.6 -44.1 -14.8 64.3 97.2 245 248 A V H X S+ 0 0 0 -4,-2.6 4,-2.6 -10,-0.3 5,-0.2 0.948 108.9 49.5 -47.3 -48.5 -15.6 60.8 98.8 246 249 A K H X S+ 0 0 103 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.842 107.7 54.3 -60.6 -34.9 -17.8 60.1 95.7 247 250 A E H X S+ 0 0 74 -4,-1.2 4,-1.1 -3,-0.4 -1,-0.2 0.936 111.7 42.6 -67.1 -44.2 -15.0 61.1 93.4 248 251 A Y H < S+ 0 0 0 -4,-2.3 7,-0.2 2,-0.2 -2,-0.2 0.859 109.4 58.4 -72.9 -31.8 -12.6 58.7 95.0 249 252 A A H < S+ 0 0 9 -4,-2.6 3,-0.2 -5,-0.3 -1,-0.2 0.893 113.7 39.0 -64.8 -36.5 -15.2 55.9 95.2 250 253 A N H < S+ 0 0 139 -4,-1.8 2,-0.3 1,-0.2 -1,-0.2 0.638 124.2 39.1 -87.2 -15.1 -15.6 56.2 91.4 251 254 A D X + 0 0 75 -4,-1.1 4,-2.1 1,-0.1 -1,-0.2 -0.639 50.8 176.0-144.4 93.0 -11.9 56.7 90.6 252 255 A Q H > S+ 0 0 63 -2,-0.3 4,-2.8 -3,-0.2 5,-0.2 0.850 85.7 57.3 -60.3 -35.8 -9.1 54.9 92.4 253 256 A D H > S+ 0 0 95 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.915 106.3 48.6 -66.7 -35.8 -6.4 56.5 90.1 254 257 A K H > S+ 0 0 62 -3,-0.2 4,-2.3 2,-0.2 5,-0.2 0.928 112.2 50.3 -64.4 -45.3 -7.5 60.0 91.1 255 258 A F H X S+ 0 0 0 -4,-2.1 4,-2.7 -7,-0.2 5,-0.3 0.945 110.5 49.5 -55.7 -49.2 -7.4 58.9 94.8 256 259 A F H X S+ 0 0 23 -4,-2.8 4,-2.2 2,-0.2 -2,-0.2 0.926 111.6 48.7 -56.3 -47.1 -3.9 57.4 94.3 257 260 A K H X S+ 0 0 109 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.936 116.5 41.8 -56.5 -47.8 -2.6 60.7 92.6 258 261 A D H X S+ 0 0 11 -4,-2.3 4,-2.4 2,-0.2 5,-0.2 0.871 113.0 51.6 -72.0 -37.0 -4.0 62.9 95.3 259 262 A F H X S+ 0 0 1 -4,-2.7 4,-2.8 -5,-0.2 5,-0.3 0.933 108.9 53.8 -63.4 -42.0 -3.0 60.7 98.3 260 263 A S H X S+ 0 0 18 -4,-2.2 4,-1.9 -5,-0.3 5,-0.2 0.969 111.9 43.3 -58.0 -52.7 0.5 60.7 96.8 261 264 A K H X S+ 0 0 128 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.931 117.7 44.6 -55.9 -49.8 0.7 64.5 96.7 262 265 A A H X S+ 0 0 1 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.847 110.8 52.1 -70.6 -33.4 -0.9 65.0 100.2 263 266 A F H X S+ 0 0 5 -4,-2.8 4,-2.2 -5,-0.2 -1,-0.2 0.923 111.2 47.4 -71.2 -39.6 1.2 62.4 102.0 264 267 A E H X S+ 0 0 34 -4,-1.9 4,-2.0 -5,-0.3 -2,-0.2 0.967 111.7 51.6 -63.4 -46.2 4.5 63.8 100.7 265 268 A K H X S+ 0 0 63 -4,-2.2 4,-1.0 1,-0.2 -2,-0.2 0.938 110.1 49.9 -53.0 -46.5 3.3 67.3 101.8 266 269 A L H < S+ 0 0 2 -4,-2.2 3,-0.4 1,-0.2 -203,-0.3 0.883 111.8 46.4 -57.1 -46.5 2.5 65.9 105.2 267 270 A L H < S+ 0 0 3 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.736 116.5 46.1 -73.4 -21.6 5.9 64.3 105.5 268 271 A E H >< S+ 0 0 35 -4,-2.0 3,-1.7 -3,-0.2 -2,-0.2 0.468 79.2 127.9 -97.5 -4.6 7.7 67.5 104.3 269 272 A N T 3< S+ 0 0 18 -4,-1.0 -205,-0.4 -3,-0.4 -206,-0.3 -0.282 75.9 17.6 -57.1 131.0 5.8 70.1 106.4 270 273 A G T 3 S+ 0 0 13 1,-0.2 2,-0.5 -208,-0.1 -1,-0.2 0.476 99.1 116.2 90.8 0.3 8.1 72.5 108.3 271 274 A I < - 0 0 18 -3,-1.7 2,-0.6 -269,-0.1 -1,-0.2 -0.892 52.1-152.6-111.6 123.3 11.2 71.6 106.2 272 275 A T B -a 4 0A 73 -269,-3.2 -267,-2.9 -2,-0.5 -3,-0.0 -0.825 11.4-159.0 -89.9 122.2 13.1 74.1 104.0 273 276 A F - 0 0 48 -2,-0.6 -267,-0.1 -269,-0.2 -269,-0.1 -0.886 10.2-140.7 -99.9 119.5 14.9 72.4 101.1 274 277 A P > - 0 0 41 0, 0.0 3,-1.2 0, 0.0 0, 0.0 -0.384 24.4-117.6 -65.6 157.2 17.8 74.4 99.5 275 278 A K T 3 S+ 0 0 190 1,-0.2 4,-0.0 -2,-0.0 -2,-0.0 0.565 115.0 65.2 -83.7 3.5 17.9 74.1 95.6 276 279 A D T 3 S+ 0 0 147 2,-0.1 -1,-0.2 3,-0.0 3,-0.1 0.716 83.4 107.3 -76.6 -19.9 21.3 72.5 95.8 277 280 A A S < S- 0 0 17 -3,-1.2 -4,-0.0 1,-0.1 -151,-0.0 -0.239 85.3 -98.8 -53.7 140.1 19.3 69.7 97.6 278 281 A P - 0 0 53 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.219 42.7-100.2 -56.9 147.9 18.7 66.5 95.4 279 282 A S - 0 0 94 1,-0.1 -156,-0.1 -3,-0.1 -4,-0.0 -0.269 58.0 -73.7 -55.1 158.9 15.3 66.2 93.7 280 283 A P - 0 0 49 0, 0.0 2,-0.3 0, 0.0 -156,-0.2 -0.332 53.8-122.4 -57.3 135.3 12.7 63.8 95.5 281 284 A F B -C 123 0C 28 -158,-3.3 -158,-2.1 -3,-0.1 2,-0.7 -0.631 13.7-154.2 -79.7 138.9 13.6 60.2 95.1 282 285 A I - 0 0 80 -2,-0.3 2,-0.1 -160,-0.2 -162,-0.0 -0.910 22.6-148.6-108.6 102.9 11.2 57.6 93.5 283 286 A F - 0 0 0 -2,-0.7 2,-0.2 -162,-0.4 -162,-0.1 -0.488 8.4-125.0 -76.0 139.7 12.1 54.2 95.0 284 287 A K - 0 0 103 -2,-0.1 2,-0.1 1,-0.1 -1,-0.1 -0.564 25.9-120.7 -73.2 144.1 11.7 51.0 93.1 285 288 A T > - 0 0 20 -2,-0.2 4,-1.4 1,-0.1 6,-0.2 -0.502 26.7-106.5 -75.3 160.7 9.6 48.2 94.8 286 289 A L H >>>S+ 0 0 1 1,-0.2 5,-2.4 2,-0.2 3,-0.8 0.956 124.5 53.2 -46.9 -44.0 11.2 44.7 95.5 287 290 A E H >45S+ 0 0 157 1,-0.3 3,-1.0 2,-0.2 -1,-0.2 0.890 104.6 52.5 -62.3 -42.3 9.1 43.4 92.6 288 291 A E H 345S+ 0 0 102 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.2 0.781 114.0 45.0 -65.5 -23.1 10.5 46.1 90.2 289 292 A Q H <<5S- 0 0 60 -4,-1.4 -1,-0.2 -3,-0.8 -2,-0.2 0.480 112.4-117.6 -96.1 -5.8 14.0 45.0 91.3 290 293 A G T <<5 0 0 71 -3,-1.0 -3,-0.2 -4,-0.8 -4,-0.1 0.750 360.0 360.0 74.1 25.2 13.3 41.2 91.0 291 294 A L < 0 0 104 -5,-2.4 -1,-0.2 -6,-0.2 -2,-0.1 -0.531 360.0 360.0-108.3 360.0 14.0 40.8 94.8