==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 05-AUG-08 3E2N . COMPND 2 MOLECULE: CYTOCHROME C PEROXIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR T.L.POULOS,Y.T.MEHARENNA,P.OERTEL . 282 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12442.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 184 65.2 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 5.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 7 2.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 45 16.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 103 36.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.1 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 1 1 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 6 A H 0 0 84 0, 0.0 262,-3.1 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 108.4 8.4 87.5 69.4 2 7 A V B -a 263 0A 85 260,-0.2 262,-0.2 262,-0.1 2,-0.2 -0.752 360.0-122.1 -91.2 125.2 5.6 85.2 68.5 3 8 A A - 0 0 10 260,-3.0 2,-0.4 -2,-0.5 115,-0.2 -0.448 28.8-170.4 -63.9 133.8 4.8 84.5 64.9 4 9 A S - 0 0 75 113,-2.4 113,-0.2 -2,-0.2 3,-0.1 -0.966 22.2-124.9-132.9 114.0 1.3 85.5 64.0 5 10 A V - 0 0 54 -2,-0.4 3,-0.2 111,-0.1 114,-0.0 -0.331 33.8-102.4 -63.3 130.5 -0.1 84.5 60.6 6 11 A E > - 0 0 21 1,-0.2 3,-2.5 2,-0.1 -1,-0.1 -0.296 65.3 -77.5 -50.6 130.5 -1.5 87.4 58.6 7 12 A K T 3 S- 0 0 197 1,-0.3 -1,-0.2 82,-0.1 3,-0.1 -0.084 104.9 -13.9 -56.4 124.2 -5.2 86.9 59.0 8 13 A G T 3 S+ 0 0 75 1,-0.2 -1,-0.3 -3,-0.2 2,-0.2 0.439 98.2 140.1 73.3 3.7 -6.7 84.1 56.9 9 14 A R < + 0 0 82 -3,-2.5 -1,-0.2 3,-0.1 2,-0.2 -0.528 23.6 172.6 -84.4 152.4 -3.6 83.9 54.7 10 15 A S >> - 0 0 54 -2,-0.2 4,-1.7 -3,-0.1 3,-1.0 -0.744 51.0 -66.8-142.3-178.5 -2.2 80.6 53.4 11 16 A Y H 3> S+ 0 0 80 1,-0.3 4,-2.6 -2,-0.2 5,-0.2 0.860 125.8 56.0 -42.4 -49.1 0.4 79.2 51.0 12 17 A E H 3> S+ 0 0 110 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.836 104.9 53.0 -60.4 -36.5 -1.4 80.5 47.8 13 18 A D H <> S+ 0 0 14 -3,-1.0 4,-1.5 2,-0.2 -1,-0.2 0.949 112.7 43.6 -61.5 -47.3 -1.4 84.1 49.2 14 19 A F H X S+ 0 0 0 -4,-1.7 4,-3.2 1,-0.2 -2,-0.2 0.864 108.1 58.1 -71.2 -31.5 2.4 84.0 49.8 15 20 A Q H X S+ 0 0 16 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.873 105.3 52.5 -63.5 -35.5 3.1 82.3 46.4 16 21 A K H X S+ 0 0 104 -4,-1.6 4,-1.9 -5,-0.2 -1,-0.2 0.914 110.6 46.2 -66.4 -38.8 1.3 85.3 44.7 17 22 A V H X S+ 0 0 0 -4,-1.5 4,-2.5 1,-0.2 5,-0.2 0.963 111.9 52.0 -66.1 -50.0 3.7 87.7 46.7 18 23 A Y H X S+ 0 0 0 -4,-3.2 4,-3.0 1,-0.2 -2,-0.2 0.899 109.6 50.0 -44.1 -55.3 6.6 85.5 45.7 19 24 A N H X S+ 0 0 26 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.894 108.6 50.5 -61.2 -38.9 5.6 85.7 42.0 20 25 A A H X S+ 0 0 18 -4,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.924 114.1 45.6 -64.2 -43.7 5.3 89.5 42.0 21 26 A I H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.933 112.0 52.2 -61.5 -43.6 8.8 89.8 43.6 22 27 A A H X S+ 0 0 1 -4,-3.0 4,-2.0 1,-0.2 -2,-0.2 0.890 108.4 49.5 -62.7 -41.1 10.1 87.2 41.1 23 28 A L H X S+ 0 0 95 -4,-2.5 4,-2.3 -5,-0.2 -1,-0.2 0.905 110.1 52.4 -65.7 -37.3 8.7 89.2 38.2 24 29 A K H X S+ 0 0 33 -4,-1.8 4,-2.9 2,-0.2 5,-0.3 0.880 107.9 51.6 -63.1 -41.5 10.3 92.4 39.6 25 30 A I H X S+ 0 0 12 -4,-2.4 4,-2.2 2,-0.2 5,-0.4 0.919 110.8 46.8 -62.7 -44.2 13.7 90.6 39.9 26 31 A A H < S+ 0 0 58 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.908 115.7 47.3 -63.6 -41.9 13.5 89.5 36.3 27 32 A E H < S+ 0 0 109 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.899 127.8 22.1 -62.3 -47.2 12.5 93.0 35.3 28 33 A K H < S- 0 0 89 -4,-2.9 -3,-0.2 -5,-0.1 -2,-0.2 0.538 92.0-126.7-105.5 -11.7 15.2 94.9 37.2 29 34 A K < + 0 0 132 -4,-2.2 -4,-0.1 -5,-0.3 -3,-0.1 0.913 61.6 142.9 58.0 42.2 17.9 92.4 37.8 30 35 A C > + 0 0 5 -5,-0.4 4,-1.7 -6,-0.3 5,-0.2 0.069 19.8 115.7-103.2 24.0 17.7 93.2 41.5 31 36 A G H > S+ 0 0 0 -6,-0.3 4,-2.0 1,-0.2 5,-0.2 0.948 74.7 50.2 -53.8 -55.3 18.3 89.8 42.9 32 37 A P H > S+ 0 0 29 0, 0.0 4,-2.4 0, 0.0 3,-0.2 0.934 109.5 49.2 -57.0 -44.4 21.6 90.5 44.7 33 38 A V H > S+ 0 0 23 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.863 110.6 52.4 -68.8 -30.7 20.3 93.7 46.5 34 39 A L H X S+ 0 0 1 -4,-1.7 4,-2.3 2,-0.2 -1,-0.2 0.841 108.6 48.8 -72.3 -34.4 17.3 91.8 47.7 35 40 A V H X S+ 0 0 10 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.944 113.8 48.0 -61.4 -48.1 19.4 89.0 49.2 36 41 A R H X S+ 0 0 93 -4,-2.4 4,-3.1 -5,-0.2 5,-0.2 0.917 110.4 51.6 -62.2 -41.1 21.5 91.6 50.8 37 42 A L H X S+ 0 0 1 -4,-2.4 4,-2.3 2,-0.2 5,-0.2 0.936 109.0 49.8 -60.0 -48.0 18.4 93.4 52.1 38 43 A A H X S+ 0 0 0 -4,-2.3 4,-1.1 1,-0.2 -1,-0.2 0.918 114.4 46.4 -57.2 -43.3 17.0 90.1 53.6 39 44 A W H X S+ 0 0 41 -4,-2.5 4,-2.9 1,-0.2 3,-0.3 0.942 113.5 45.9 -68.0 -45.1 20.4 89.6 55.3 40 45 A H H < S+ 0 0 5 -4,-3.1 4,-0.4 1,-0.2 -1,-0.2 0.843 111.0 52.3 -69.3 -31.1 20.9 93.1 56.7 41 46 A T H < S+ 0 0 7 -4,-2.3 -1,-0.2 -5,-0.2 17,-0.2 0.757 120.8 34.9 -76.8 -21.4 17.3 93.3 58.0 42 47 A S H >< S+ 0 0 0 -4,-1.1 3,-1.4 -3,-0.3 12,-0.2 0.751 104.6 72.0 -93.3 -33.0 17.9 89.9 59.8 43 48 A G T 3< S+ 0 0 0 -4,-2.9 -2,-0.1 1,-0.3 -3,-0.1 0.393 77.5 75.7 -74.9 -3.3 21.5 90.4 60.7 44 49 A T T 3 S+ 0 0 4 -4,-0.4 -1,-0.3 -3,-0.1 -2,-0.1 0.455 71.3 124.4 -76.5 -4.9 21.0 93.0 63.4 45 50 A W < - 0 0 24 -3,-1.4 2,-0.5 7,-0.2 7,-0.2 -0.266 46.8-160.1 -61.9 145.0 19.8 90.3 65.7 46 51 A D B >>> -B 51 0B 29 5,-2.0 4,-2.1 1,-0.1 3,-1.2 -0.969 7.2-158.0-124.4 113.8 21.5 89.8 69.1 47 52 A K T 345S+ 0 0 87 101,-2.3 -1,-0.1 -2,-0.5 102,-0.1 0.735 87.1 67.9 -59.8 -25.3 21.0 86.4 70.6 48 53 A H T 345S+ 0 0 139 100,-0.2 -1,-0.3 1,-0.2 -3,-0.0 0.802 124.3 3.6 -71.8 -28.6 21.7 87.8 74.1 49 54 A D T <45S- 0 0 93 -3,-1.2 -2,-0.2 2,-0.1 -1,-0.2 0.334 94.4-115.4-138.0 7.3 18.6 89.9 74.4 50 55 A N T <5 + 0 0 52 -4,-2.1 -3,-0.2 1,-0.2 2,-0.1 0.718 63.0 149.5 58.7 28.1 16.6 89.2 71.2 51 56 A T B < +B 46 0B 48 -5,-0.6 -5,-2.0 -7,-0.1 -1,-0.2 -0.445 52.7 8.6 -78.1 164.2 16.9 92.8 70.0 52 57 A G S S+ 0 0 14 73,-0.4 3,-0.2 -7,-0.2 4,-0.2 -0.226 76.3 126.4 62.7-154.1 17.0 93.4 66.3 53 58 A G S S- 0 0 4 1,-0.2 5,-0.4 -13,-0.2 3,-0.3 -0.173 74.1 -69.5 91.8 172.6 16.2 90.6 63.8 54 59 A S S > S+ 0 0 4 206,-0.5 3,-0.9 203,-0.3 -1,-0.2 0.659 106.0 85.2 -72.5 -20.8 13.8 90.1 61.0 55 60 A Y T 3 S+ 0 0 22 205,-0.4 38,-0.4 1,-0.2 -1,-0.2 0.889 89.6 41.9 -59.0 -47.7 10.6 90.1 63.0 56 61 A G T 3 S- 0 0 5 -3,-0.3 65,-1.7 -4,-0.2 -1,-0.2 0.562 90.0-136.7 -83.3 -9.6 9.7 93.7 63.4 57 62 A G X + 0 0 3 -3,-0.9 3,-1.4 -4,-0.2 -3,-0.1 0.867 42.6 160.9 59.3 38.5 10.6 94.9 59.9 58 63 A T G > + 0 0 5 -5,-0.4 3,-2.4 1,-0.3 6,-0.4 0.598 48.3 90.0 -77.7 -7.3 12.3 98.0 61.3 59 64 A Y G 3 S+ 0 0 3 1,-0.3 6,-0.3 5,-0.2 -1,-0.3 0.772 74.6 73.9 -55.4 -27.1 14.3 98.8 58.2 60 65 A R G < S+ 0 0 67 -3,-1.4 2,-0.3 4,-0.1 -1,-0.3 0.676 84.1 85.2 -62.9 -12.4 11.2 100.9 57.3 61 66 A F S X> S- 0 0 34 -3,-2.4 4,-2.3 1,-0.1 3,-1.2 -0.738 87.5-119.8 -97.9 142.5 12.4 103.4 59.9 62 67 A K H 3> S+ 0 0 126 -2,-0.3 4,-2.6 1,-0.3 5,-0.1 0.762 107.1 59.3 -46.1 -48.6 15.0 106.2 59.2 63 68 A K H 34 S+ 0 0 81 1,-0.2 -1,-0.3 2,-0.2 -4,-0.1 0.902 115.5 35.2 -53.0 -45.3 17.5 105.1 61.8 64 69 A E H X4 S+ 0 0 4 -3,-1.2 3,-1.6 -6,-0.4 -2,-0.2 0.893 116.3 49.9 -79.9 -43.6 17.9 101.7 60.1 65 70 A F H 3< S+ 0 0 66 -4,-2.3 -2,-0.2 -6,-0.3 -1,-0.2 0.824 112.4 51.8 -72.6 -20.8 17.5 102.6 56.5 66 71 A N T 3< S+ 0 0 88 -4,-2.6 -1,-0.3 -5,-0.3 -2,-0.2 0.378 77.4 127.0 -90.9 4.4 20.1 105.3 57.0 67 72 A D X - 0 0 10 -3,-1.6 3,-2.3 1,-0.2 4,-0.1 -0.423 65.4-133.7 -52.2 125.7 22.6 103.0 58.6 68 73 A P G > S+ 0 0 101 0, 0.0 3,-1.7 0, 0.0 -1,-0.2 0.832 107.4 63.2 -53.1 -30.0 25.9 103.5 56.6 69 74 A S G 3 S+ 0 0 37 1,-0.3 -2,-0.1 3,-0.0 -3,-0.0 0.745 100.7 51.9 -65.1 -21.7 26.1 99.7 56.6 70 75 A N G X S+ 0 0 1 -3,-2.3 3,-2.1 -6,-0.2 4,-0.4 0.246 75.6 145.3 -99.0 13.1 22.8 99.6 54.5 71 76 A A T < S+ 0 0 29 -3,-1.7 -5,-0.1 1,-0.3 101,-0.1 -0.322 71.1 19.3 -59.2 128.2 23.9 102.1 51.8 72 77 A G T >> S+ 0 0 9 -2,-0.1 3,-1.7 101,-0.0 4,-0.6 -0.037 93.6 100.5 102.6 -25.7 22.4 101.0 48.5 73 78 A L H <> + 0 0 2 -3,-2.1 4,-2.3 1,-0.3 3,-0.5 0.754 62.4 80.6 -69.2 -14.8 19.6 98.9 49.9 74 79 A Q H 3> S+ 0 0 79 -4,-0.4 4,-2.3 1,-0.2 -1,-0.3 0.811 87.5 59.5 -53.9 -30.6 17.1 101.7 49.4 75 80 A N H <> S+ 0 0 71 -3,-1.7 4,-1.9 2,-0.2 -1,-0.2 0.909 105.0 47.3 -67.6 -39.2 17.1 100.6 45.8 76 81 A G H X S+ 0 0 0 -4,-0.6 4,-1.7 -3,-0.5 -2,-0.2 0.935 111.4 50.6 -65.5 -44.0 15.9 97.2 46.9 77 82 A F H X S+ 0 0 58 -4,-2.3 4,-0.9 1,-0.2 -2,-0.2 0.908 109.1 52.4 -58.3 -41.8 13.2 98.7 49.2 78 83 A K H >< S+ 0 0 105 -4,-2.3 3,-0.6 1,-0.2 -1,-0.2 0.874 106.4 52.5 -63.7 -39.6 12.1 100.8 46.3 79 84 A F H 3< S+ 0 0 39 -4,-1.9 4,-0.4 1,-0.2 -1,-0.2 0.823 109.1 50.7 -70.8 -28.8 11.7 97.8 44.0 80 85 A L H >X S+ 0 0 2 -4,-1.7 4,-2.5 1,-0.2 3,-0.5 0.676 87.5 87.2 -76.3 -18.4 9.5 96.1 46.7 81 86 A E H S+ 0 0 49 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.866 111.1 52.3 -60.7 -32.1 4.8 98.2 44.3 83 88 A I H <> S+ 0 0 4 -3,-0.5 4,-2.4 -4,-0.4 -2,-0.2 0.933 109.9 47.0 -65.7 -47.4 4.6 94.7 45.7 84 89 A H H < S+ 0 0 46 -4,-2.5 -1,-0.2 1,-0.2 6,-0.2 0.864 111.3 53.6 -66.4 -28.5 3.7 96.0 49.2 85 90 A K H < S+ 0 0 139 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.870 112.4 42.7 -70.9 -39.4 1.2 98.2 47.5 86 91 A E H < S+ 0 0 128 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.835 127.7 31.9 -71.6 -33.3 -0.4 95.3 45.7 87 92 A F >< + 0 0 19 -4,-2.4 3,-1.6 -5,-0.2 -1,-0.3 -0.605 68.9 162.3-124.1 68.8 -0.3 93.1 48.8 88 93 A P T 3 + 0 0 96 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.687 66.2 71.6 -69.1 -14.2 -0.6 95.6 51.7 89 94 A W T 3 S+ 0 0 56 -3,-0.1 2,-0.2 2,-0.1 -82,-0.1 0.573 74.8 94.6 -75.3 -16.2 -1.5 92.8 54.2 90 95 A I S < S- 0 0 4 -3,-1.6 2,-0.0 -6,-0.2 -3,-0.0 -0.574 80.3-118.2 -78.0 142.5 1.9 91.3 54.3 91 96 A S > - 0 0 12 -2,-0.2 4,-2.3 27,-0.2 5,-0.1 -0.382 20.8-115.9 -74.9 163.4 4.1 92.5 57.2 92 97 A S H > S+ 0 0 8 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.910 115.6 49.9 -66.2 -42.4 7.3 94.3 56.5 93 98 A G H > S+ 0 0 2 -38,-0.4 4,-2.2 1,-0.2 5,-0.3 0.894 111.0 50.1 -61.5 -41.9 9.5 91.7 58.0 94 99 A D H > S+ 0 0 0 24,-0.2 4,-2.6 -39,-0.2 5,-0.2 0.919 112.4 48.3 -59.8 -44.0 7.7 89.0 56.0 95 100 A L H X S+ 0 0 3 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.937 112.8 46.3 -65.1 -46.4 8.2 91.1 52.8 96 101 A F H X S+ 0 0 2 -4,-2.8 4,-1.2 2,-0.2 -1,-0.2 0.924 117.3 43.0 -65.4 -42.3 11.9 91.7 53.4 97 102 A S H X S+ 0 0 1 -4,-2.2 4,-2.0 -5,-0.2 3,-0.5 0.932 114.0 50.0 -69.5 -43.4 12.7 88.1 54.3 98 103 A L H X S+ 0 0 0 -4,-2.6 4,-2.9 -5,-0.3 5,-0.3 0.859 103.5 62.2 -64.3 -32.1 10.6 86.7 51.5 99 104 A G H X S+ 0 0 0 -4,-2.3 4,-2.1 -5,-0.2 -1,-0.2 0.895 105.6 46.6 -58.3 -40.1 12.4 89.1 49.1 100 105 A G H X S+ 0 0 0 -4,-1.2 4,-2.5 -3,-0.5 -2,-0.2 0.914 112.6 47.9 -69.6 -45.1 15.6 87.3 49.9 101 106 A V H X S+ 0 0 1 -4,-2.0 4,-2.5 2,-0.2 5,-0.2 0.934 113.0 49.1 -54.6 -49.4 14.2 83.8 49.5 102 107 A T H X S+ 0 0 0 -4,-2.9 4,-3.1 1,-0.2 5,-0.2 0.928 110.9 50.3 -58.8 -47.3 12.6 84.8 46.2 103 108 A A H X S+ 0 0 0 -4,-2.1 4,-1.6 -5,-0.3 6,-0.2 0.942 110.3 48.2 -61.0 -45.6 15.9 86.2 45.0 104 109 A V H <>S+ 0 0 0 -4,-2.5 5,-2.4 2,-0.2 3,-0.3 0.953 116.8 43.2 -58.4 -50.0 18.0 83.2 45.8 105 110 A Q H ><5S+ 0 0 6 -4,-2.5 3,-1.7 1,-0.2 -2,-0.2 0.923 111.9 52.0 -64.7 -41.8 15.5 80.8 44.2 106 111 A E H 3<5S+ 0 0 43 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.725 104.0 58.7 -70.7 -19.6 14.9 83.0 41.1 107 112 A M T 3<5S- 0 0 6 -4,-1.6 79,-2.8 -3,-0.3 -1,-0.3 0.130 128.2 -98.8 -93.0 21.4 18.7 83.1 40.6 108 113 A Q T < 5S+ 0 0 128 -3,-1.7 -3,-0.2 77,-0.2 -2,-0.2 0.720 80.5 140.1 71.5 24.0 18.7 79.3 40.4 109 114 A G < - 0 0 14 -5,-2.4 -1,-0.2 -6,-0.2 3,-0.1 -0.089 59.7 -64.1 -79.2-175.5 19.8 78.9 44.0 110 115 A P - 0 0 12 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.310 57.2 -96.0 -66.0 157.7 18.5 76.2 46.4 111 116 A K - 0 0 74 -3,-0.1 140,-0.1 -6,-0.1 162,-0.1 -0.607 40.1-157.8 -63.7 136.3 14.9 76.1 47.6 112 117 A I - 0 0 0 -2,-0.3 162,-0.3 -11,-0.1 -7,-0.1 -0.963 12.2-133.5-125.2 108.6 14.7 78.0 50.9 113 118 A P - 0 0 28 0, 0.0 2,-0.4 0, 0.0 160,-0.2 -0.395 27.2-162.9 -60.8 144.4 11.7 77.1 53.1 114 119 A W B -C 272 0C 2 158,-2.5 158,-3.1 156,-0.1 2,-0.4 -0.993 10.8-155.4-138.2 137.9 10.1 80.2 54.5 115 120 A R - 0 0 52 -2,-0.4 3,-0.2 156,-0.2 2,-0.1 -0.923 11.9-145.2-116.1 137.9 7.7 80.8 57.3 116 121 A C + 0 0 7 -2,-0.4 -111,-0.1 1,-0.1 -113,-0.0 -0.378 58.6 85.4 -87.2 175.1 5.2 83.7 57.6 117 122 A G + 0 0 0 1,-0.3 -113,-2.4 -113,-0.2 -1,-0.1 0.486 40.1 147.4 111.9 6.7 4.1 85.6 60.7 118 123 A R - 0 0 2 -115,-0.2 2,-0.4 -3,-0.2 -1,-0.3 -0.467 36.4-147.6 -61.1 145.5 6.6 88.4 61.4 119 124 A V - 0 0 54 -64,-0.2 -114,-0.0 -2,-0.1 2,-0.0 -0.968 16.0-108.8-125.6 131.7 4.7 91.3 62.9 120 125 A D - 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0 0 96 -2,-0.1 16,-1.1 2,-0.0 2,-0.4 -0.891 40.2-163.4-101.5 107.0 45.6 84.3 41.6 199 204 A W E -E 213 0E 31 -2,-0.7 2,-0.4 14,-0.2 14,-0.2 -0.747 12.2-169.9-102.9 139.2 44.8 86.9 44.3 200 205 A K E -E 212 0E 115 12,-2.5 12,-3.0 -2,-0.4 2,-0.8 -0.985 25.3-127.3-125.5 136.9 46.8 90.1 45.0 201 206 A L E +E 211 0E 56 -2,-0.4 2,-0.3 10,-0.2 10,-0.2 -0.726 46.9 161.9 -82.1 108.0 46.2 92.4 48.0 202 207 A E E -E 210 0E 89 8,-2.7 8,-2.5 -2,-0.8 2,-0.5 -0.776 39.7-113.8-123.8 165.6 45.8 95.9 46.5 203 208 A K E -E 209 0E 120 -2,-0.3 6,-0.2 6,-0.2 2,-0.1 -0.902 29.0-146.1 -99.7 132.6 44.4 99.3 47.5 204 209 A N > - 0 0 18 4,-2.6 3,-1.9 -2,-0.5 -29,-0.0 -0.176 38.9 -85.5 -84.1-174.7 41.3 100.5 45.7 205 210 A D T 3 S+ 0 0 161 1,-0.3 -30,-0.1 2,-0.1 -1,-0.1 0.601 127.7 60.1 -76.8 -4.0 40.5 104.1 45.0 206 211 A A T 3 S- 0 0 40 -32,-0.2 -1,-0.3 2,-0.2 3,-0.1 0.241 118.7-110.8 -97.6 9.6 39.0 104.7 48.4 207 212 A N S < S+ 0 0 104 -3,-1.9 2,-0.4 1,-0.2 -2,-0.1 0.758 77.1 131.0 68.3 23.7 42.3 103.7 49.9 208 213 A N - 0 0 57 -34,-0.3 -4,-2.6 0, 0.0 2,-0.3 -0.866 59.1-115.5-106.2 147.0 41.0 100.4 51.3 209 214 A E E +E 203 0E 101 -2,-0.4 2,-0.3 -6,-0.2 -6,-0.2 -0.560 40.9 160.3 -78.3 138.6 42.6 97.0 50.9 210 215 A Q E -E 202 0E 6 -8,-2.5 -8,-2.7 -2,-0.3 2,-0.5 -0.968 40.7-108.4-148.7 162.1 40.8 94.3 48.9 211 216 A W E -EF 201 219E 38 8,-2.8 8,-1.8 -2,-0.3 2,-0.4 -0.812 35.2-167.4-100.1 123.5 42.0 91.1 47.1 212 217 A D E -EF 200 218E 33 -12,-3.0 -12,-2.5 -2,-0.5 2,-0.3 -0.916 7.3-152.5-117.4 135.5 42.0 91.3 43.3 213 218 A S E > -E 199 0E 10 4,-2.4 3,-1.9 -2,-0.4 -14,-0.2 -0.688 28.1-118.5-102.4 157.2 42.3 88.4 40.9 214 219 A K T 3 S+ 0 0 147 -16,-1.1 -1,-0.1 -2,-0.3 -15,-0.1 0.829 112.9 66.0 -62.8 -23.2 43.7 88.7 37.4 215 220 A S T 3 S- 0 0 65 -17,-0.2 -1,-0.3 1,-0.1 -3,-0.0 0.583 123.9-101.9 -76.4 -6.5 40.3 87.6 36.0 216 221 A G S < S+ 0 0 46 -3,-1.9 2,-0.1 1,-0.3 -2,-0.1 0.497 80.1 127.0 101.8 10.0 38.9 90.8 37.4 217 222 A Y - 0 0 41 -40,-0.1 -4,-2.4 -38,-0.1 -1,-0.3 -0.484 39.7-155.2 -90.5 168.1 37.2 89.6 40.5 218 223 A M E -F 212 0E 2 -40,-1.9 2,-0.3 -6,-0.2 -6,-0.2 -0.961 6.8-161.6-140.6 161.2 37.6 90.9 44.1 219 224 A M E -F 211 0E 2 -8,-1.8 -8,-2.8 -2,-0.3 -40,-0.0 -0.985 23.4-120.9-136.3 140.4 37.2 89.6 47.6 220 225 A L > - 0 0 15 -2,-0.3 4,-2.5 -10,-0.2 3,-0.3 -0.438 33.3-107.1 -72.2 158.1 36.9 91.6 50.8 221 226 A P H > S+ 0 0 18 0, 0.0 4,-1.6 0, 0.0 -85,-0.2 0.902 124.9 51.3 -51.5 -38.0 39.5 91.0 53.6 222 227 A T H 4 S+ 0 0 12 -87,-1.5 4,-0.4 2,-0.2 -86,-0.1 0.863 108.8 50.4 -69.0 -33.3 36.7 89.1 55.5 223 228 A D H >4 S+ 0 0 0 -3,-0.3 3,-1.7 -88,-0.2 4,-0.2 0.948 111.7 47.0 -62.4 -51.9 36.0 86.9 52.4 224 229 A Y H >X S+ 0 0 39 -4,-2.5 3,-2.2 1,-0.3 4,-0.6 0.818 96.8 72.6 -63.6 -25.3 39.7 86.1 51.9 225 230 A S H >X S+ 0 0 0 -4,-1.6 4,-1.5 -5,-0.3 3,-0.8 0.775 82.3 73.4 -62.5 -21.8 40.1 85.3 55.7 226 231 A L H <4 S+ 0 0 0 -3,-1.7 10,-0.3 -4,-0.4 -1,-0.3 0.660 103.5 38.2 -69.0 -16.8 38.0 82.1 54.9 227 232 A I H <4 S+ 0 0 34 -3,-2.2 -1,-0.3 -4,-0.2 -2,-0.2 0.420 110.8 61.0-106.7 1.6 41.1 80.6 53.2 228 233 A Q H << S+ 0 0 114 -3,-0.8 -2,-0.2 -4,-0.6 -3,-0.1 0.714 95.1 67.6 -93.8 -24.5 43.6 82.1 55.8 229 234 A D S X S- 0 0 15 -4,-1.5 4,-2.8 1,-0.1 5,-0.2 -0.836 79.5-140.8 -96.0 130.5 42.0 80.2 58.8 230 235 A P H > S+ 0 0 96 0, 0.0 4,-1.5 0, 0.0 -1,-0.1 0.811 99.6 50.5 -69.3 -27.0 42.6 76.5 58.6 231 236 A K H > S+ 0 0 121 2,-0.2 4,-1.1 1,-0.2 5,-0.1 0.926 114.9 43.0 -74.9 -42.7 39.1 75.6 60.0 232 237 A Y H >> S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 3,-0.5 0.932 109.3 59.6 -64.6 -41.2 37.4 77.8 57.4 233 238 A L H 3X S+ 0 0 41 -4,-2.8 4,-2.5 1,-0.3 5,-0.2 0.876 100.5 53.9 -59.2 -38.4 39.7 76.6 54.7 234 239 A S H 3X S+ 0 0 71 -4,-1.5 4,-1.9 1,-0.2 -1,-0.3 0.892 111.4 46.1 -64.2 -35.9 38.6 73.0 55.0 235 240 A I H < S+ 0 0 65 -4,-1.9 3,-0.7 1,-0.2 4,-0.4 0.948 112.4 41.5 -58.8 -48.5 34.3 71.1 50.9 239 244 A Y H >< S+ 0 0 1 -4,-2.5 3,-0.7 1,-0.2 7,-0.2 0.842 109.0 59.3 -71.5 -30.5 31.8 73.5 49.2 240 245 A A H 3< S+ 0 0 7 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.749 114.1 39.7 -63.6 -23.6 34.2 74.0 46.2 241 246 A N T << S+ 0 0 133 -4,-1.1 -1,-0.2 -3,-0.7 2,-0.2 0.343 118.2 45.5-109.7 1.9 33.9 70.3 45.6 242 247 A D <> + 0 0 74 -3,-0.7 4,-2.2 -4,-0.4 -1,-0.2 -0.662 52.9 178.0-150.1 90.0 30.3 69.7 46.4 243 248 A Q H > S+ 0 0 122 1,-0.2 4,-2.5 -2,-0.2 5,-0.2 0.857 86.3 51.8 -59.2 -41.4 27.7 72.1 44.9 244 249 A D H > S+ 0 0 102 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.929 108.3 50.0 -66.4 -43.1 24.8 70.1 46.3 245 250 A K H > S+ 0 0 55 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.931 111.4 50.0 -62.8 -43.7 26.2 70.1 49.8 246 251 A F H X S+ 0 0 0 -4,-2.2 4,-3.1 -7,-0.2 5,-0.3 0.931 110.5 49.6 -56.8 -49.7 26.7 73.9 49.6 247 252 A F H X S+ 0 0 43 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.928 113.2 45.9 -60.2 -42.1 23.2 74.5 48.4 248 253 A K H X S+ 0 0 107 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.917 115.4 45.9 -68.7 -41.8 21.7 72.4 51.2 249 254 A D H X S+ 0 0 14 -4,-2.6 4,-2.5 -5,-0.2 5,-0.2 0.907 112.0 51.1 -68.2 -40.9 23.8 74.0 53.9 250 255 A F H X S+ 0 0 1 -4,-3.1 4,-3.0 -5,-0.2 5,-0.3 0.921 108.1 53.3 -57.2 -48.0 23.2 77.5 52.5 251 256 A S H X S+ 0 0 14 -4,-2.2 4,-2.3 -5,-0.3 5,-0.2 0.933 111.4 45.2 -57.7 -45.5 19.4 76.9 52.5 252 257 A K H X S+ 0 0 137 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.927 115.7 45.6 -63.3 -45.8 19.5 75.8 56.2 253 258 A A H X S+ 0 0 1 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.890 113.2 49.6 -68.3 -38.0 21.7 78.7 57.3 254 259 A F H X S+ 0 0 4 -4,-3.0 4,-2.5 2,-0.2 -1,-0.2 0.915 111.0 48.4 -70.2 -42.2 19.7 81.3 55.4 255 260 A E H X S+ 0 0 35 -4,-2.3 4,-1.1 -5,-0.3 -1,-0.2 0.944 112.8 50.1 -59.3 -45.8 16.4 80.1 56.7 256 261 A K H >X S+ 0 0 54 -4,-2.3 4,-1.3 -5,-0.2 3,-0.9 0.937 109.5 50.4 -57.7 -46.6 17.9 80.2 60.2 257 262 A L H >< S+ 0 0 3 -4,-2.5 3,-0.6 1,-0.3 -203,-0.3 0.928 111.7 47.9 -56.5 -46.7 19.2 83.7 59.7 258 263 A L H 3< S+ 0 0 2 -4,-2.5 -1,-0.3 1,-0.2 -2,-0.2 0.631 117.1 43.4 -72.8 -13.6 15.8 84.9 58.6 259 264 A E H X< S+ 0 0 34 -4,-1.1 3,-2.1 -3,-0.9 -1,-0.2 0.473 78.3 128.3-110.3 -5.0 14.1 83.2 61.5 260 265 A N T << S+ 0 0 16 -4,-1.3 -206,-0.5 -3,-0.6 -205,-0.4 -0.265 77.4 18.6 -58.3 137.3 16.4 84.1 64.4 261 266 A G T 3 S+ 0 0 17 1,-0.2 2,-0.4 -208,-0.1 -1,-0.2 0.264 97.9 116.7 88.7 -7.9 14.5 85.6 67.3 262 267 A I < - 0 0 17 -3,-2.1 2,-0.6 -260,-0.1 -1,-0.2 -0.817 52.7-151.4-101.9 131.9 11.1 84.3 66.2 263 268 A T B -a 2 0A 84 -262,-3.1 -260,-3.0 -2,-0.4 -3,-0.0 -0.890 11.7-159.2 -95.7 115.8 9.0 81.9 68.3 264 269 A F - 0 0 39 -2,-0.6 4,-0.1 -262,-0.2 -260,-0.1 -0.880 21.9-123.3 -95.7 119.8 6.8 79.8 66.0 265 270 A P > - 0 0 44 0, 0.0 3,-2.1 0, 0.0 -1,-0.0 -0.273 23.7-110.3 -59.6 155.7 3.8 78.3 67.9 266 271 A K T 3 S+ 0 0 187 1,-0.3 -2,-0.0 0, 0.0 0, 0.0 0.739 119.6 48.3 -60.0 -25.1 3.5 74.5 67.8 267 272 A D T 3 S+ 0 0 125 2,-0.0 -1,-0.3 3,-0.0 3,-0.1 0.125 84.0 125.8-106.8 22.7 0.4 74.8 65.7 268 273 A A S < S- 0 0 25 -3,-2.1 -4,-0.1 1,-0.1 -264,-0.0 -0.397 72.8 -90.2 -68.0 157.1 1.9 77.2 63.2 269 274 A P - 0 0 54 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.307 48.4 -99.8 -63.4 157.1 1.8 76.3 59.6 270 275 A S - 0 0 93 1,-0.1 -156,-0.1 -3,-0.1 -3,-0.0 -0.285 54.0 -77.7 -64.5 159.3 4.7 74.3 58.2 271 276 A P - 0 0 54 0, 0.0 2,-0.3 0, 0.0 -156,-0.2 -0.342 49.9-124.6 -59.2 141.4 7.3 76.2 56.3 272 277 A F B -C 114 0C 23 -158,-3.1 -158,-2.5 -3,-0.1 2,-0.6 -0.729 14.9-158.4 -86.6 143.1 6.3 77.0 52.8 273 278 A I - 0 0 90 -2,-0.3 2,-0.2 -160,-0.2 -258,-0.0 -0.955 20.7-148.0-121.9 107.3 8.5 76.0 49.7 274 279 A F - 0 0 1 -2,-0.6 2,-0.3 -162,-0.3 -162,-0.1 -0.511 10.1-122.2 -78.4 141.6 7.6 78.3 46.8 275 280 A K - 0 0 109 -2,-0.2 -1,-0.1 1,-0.1 2,-0.0 -0.586 29.8-120.3 -75.9 141.2 7.6 77.2 43.2 276 281 A T > - 0 0 15 -2,-0.3 4,-1.5 1,-0.1 6,-0.2 -0.313 24.8-108.7 -71.4 164.0 9.9 79.3 41.0 277 282 A L H >>S+ 0 0 6 2,-0.2 5,-2.8 1,-0.2 4,-0.6 0.938 122.3 54.4 -56.2 -43.7 8.4 81.1 38.0 278 283 A E H >45S+ 0 0 163 1,-0.3 3,-1.3 3,-0.2 -1,-0.2 0.927 105.6 51.2 -57.6 -45.3 10.2 78.6 35.8 279 284 A E H 345S+ 0 0 109 1,-0.3 -1,-0.3 2,-0.1 -2,-0.2 0.848 112.2 47.9 -63.2 -30.7 8.5 75.7 37.6 280 285 A Q H 3<5S- 0 0 62 -4,-1.5 -1,-0.3 -3,-0.4 -2,-0.2 0.434 116.5-111.2 -87.6 -2.2 5.1 77.4 37.1 281 286 A G T <<5 0 0 69 -3,-1.3 -3,-0.2 -4,-0.6 -2,-0.1 0.796 360.0 360.0 75.2 28.8 5.6 78.1 33.4 282 287 A L < 0 0 130 -5,-2.8 -1,-0.2 -6,-0.2 -2,-0.1 -0.552 360.0 360.0-119.2 360.0 5.9 81.8 34.1