==== 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(H2O2(A)) 23-NOV-93 1CMP . COMPND 2 MOLECULE: CYTOCHROME C PEROXIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR M.M.FITZGERALD,D.E.MCREE,M.J.CHURCHILL,D.B.GOODIN . 291 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12998.0 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 . 7 2.4 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 0 128 0, 0.0 2,-0.4 0, 0.0 269,-0.0 0.000 360.0 360.0 360.0 135.2 12.3 78.1 113.6 2 5 A V - 0 0 108 2,-0.0 2,-0.5 270,-0.0 269,-0.1 -0.977 360.0-165.5-117.8 136.9 13.9 77.3 110.2 3 6 A H - 0 0 28 -2,-0.4 269,-2.8 267,-0.3 2,-0.4 -0.940 10.1-159.3-123.2 103.2 14.8 73.6 109.7 4 7 A V B -a 272 0A 70 -2,-0.5 2,-0.3 267,-0.2 269,-0.2 -0.709 20.7-117.6 -92.3 130.5 17.1 73.3 106.7 5 8 A A - 0 0 11 267,-2.8 2,-0.5 -2,-0.4 122,-0.2 -0.502 31.5-171.1 -63.6 128.9 17.3 69.9 105.0 6 9 A S - 0 0 72 120,-2.7 120,-0.2 -2,-0.3 3,-0.1 -0.925 19.7-130.2-123.7 106.9 20.8 68.5 105.2 7 10 A V - 0 0 55 -2,-0.5 3,-0.1 118,-0.1 2,-0.1 -0.233 35.0-100.1 -53.3 135.1 21.7 65.3 103.2 8 11 A E > - 0 0 22 1,-0.2 3,-2.5 2,-0.1 -1,-0.1 -0.372 59.0 -88.6 -59.0 125.9 23.5 62.6 105.2 9 12 A K T 3 S- 0 0 173 1,-0.3 -1,-0.2 -3,-0.1 3,-0.1 -0.163 102.9 -2.3 -56.8 116.1 27.1 63.1 104.3 10 13 A G T 3 S+ 0 0 77 1,-0.3 -1,-0.3 -3,-0.1 2,-0.3 0.465 97.9 133.0 91.4 4.1 28.2 61.2 101.3 11 14 A R < + 0 0 91 -3,-2.5 -1,-0.3 87,-0.1 2,-0.2 -0.596 27.3 175.1 -96.7 144.2 24.9 59.4 100.6 12 15 A S >> - 0 0 51 -2,-0.3 4,-1.5 -3,-0.1 3,-0.9 -0.753 49.7 -72.9-128.9-174.5 23.1 59.1 97.4 13 16 A Y H 3> S+ 0 0 64 1,-0.3 4,-2.6 -2,-0.2 5,-0.2 0.883 124.7 55.8 -47.5 -51.0 20.0 57.4 95.9 14 17 A E H 3> S+ 0 0 117 1,-0.2 4,-1.1 2,-0.2 -1,-0.3 0.845 104.6 54.3 -59.3 -31.4 21.4 53.9 95.9 15 18 A D H <> S+ 0 0 26 -3,-0.9 4,-1.3 2,-0.2 3,-0.4 0.945 110.7 44.2 -64.5 -47.5 22.1 54.1 99.7 16 19 A F H X S+ 0 0 0 -4,-1.5 4,-2.5 1,-0.2 -2,-0.2 0.902 107.7 59.5 -67.2 -37.7 18.5 55.1 100.5 17 20 A Q H X S+ 0 0 12 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.813 102.9 54.1 -57.9 -29.5 17.2 52.3 98.1 18 21 A K H X S+ 0 0 103 -4,-1.1 4,-2.1 -3,-0.4 -1,-0.2 0.881 107.9 47.9 -73.0 -36.9 19.1 49.8 100.3 19 22 A V H X S+ 0 0 0 -4,-1.3 4,-2.3 2,-0.2 -2,-0.2 0.948 112.9 49.9 -66.3 -45.0 17.3 51.1 103.5 20 23 A Y H X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.2 5,-0.2 0.944 111.0 49.3 -54.6 -54.9 14.0 50.8 101.6 21 24 A N H X S+ 0 0 24 -4,-2.5 4,-2.5 1,-0.2 5,-0.3 0.911 109.1 52.4 -54.9 -41.0 14.8 47.2 100.5 22 25 A A H X S+ 0 0 19 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.931 112.3 44.8 -62.9 -42.3 15.8 46.3 104.1 23 26 A I H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.959 115.1 48.6 -64.8 -45.3 12.4 47.6 105.4 24 27 A A H X S+ 0 0 2 -4,-2.8 4,-2.2 2,-0.2 -2,-0.2 0.901 110.0 50.6 -64.5 -38.7 10.5 45.9 102.5 25 28 A L H X S+ 0 0 69 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.912 111.7 48.8 -63.4 -40.6 12.3 42.5 103.0 26 29 A K H X S+ 0 0 40 -4,-1.8 4,-2.7 -5,-0.3 -2,-0.2 0.876 107.0 55.3 -72.3 -31.8 11.4 42.6 106.7 27 30 A L H < S+ 0 0 22 -4,-2.2 12,-0.2 2,-0.2 -2,-0.2 0.950 109.7 47.5 -62.2 -46.9 7.7 43.4 105.9 28 31 A R H >< S+ 0 0 134 -4,-2.2 3,-0.6 1,-0.2 -2,-0.2 0.922 115.2 47.5 -53.2 -45.1 7.6 40.3 103.7 29 32 A E H 3< S+ 0 0 133 -4,-2.1 2,-1.4 1,-0.2 3,-0.3 0.960 107.5 49.5 -69.9 -52.1 9.2 38.2 106.4 30 33 A D T >< + 0 0 31 -4,-2.7 3,-1.1 1,-0.2 -1,-0.2 -0.190 67.4 144.0 -89.1 53.8 7.2 39.2 109.6 31 34 A D T < + 0 0 91 -2,-1.4 -1,-0.2 -3,-0.6 -2,-0.1 0.604 55.5 71.1 -69.9 -4.4 3.9 38.6 107.9 32 35 A E T 3> + 0 0 86 -3,-0.3 4,-1.7 4,-0.1 3,-0.4 0.665 64.8 119.7 -90.3 -18.8 2.2 37.3 111.1 33 36 A Y H <>>S+ 0 0 38 -3,-1.1 5,-2.7 1,-0.2 4,-1.2 -0.191 81.6 7.3 -51.3 136.5 1.9 40.5 113.2 34 37 A D H >45S- 0 0 38 1,-0.2 3,-1.0 2,-0.2 -1,-0.2 0.952 140.1 -46.1 55.0 57.7 -1.6 41.5 114.2 35 38 A N H 345S- 0 0 146 -3,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.899 113.6 -49.2 53.4 46.0 -3.4 38.3 112.9 36 39 A Y H 3<5S+ 0 0 156 -4,-1.7 -1,-0.2 1,-0.1 -2,-0.2 0.729 109.1 117.0 66.3 21.5 -1.6 38.3 109.6 37 40 A I T <<5 - 0 0 16 -4,-1.2 3,-0.3 -3,-1.0 -3,-0.2 0.851 65.9-150.7 -75.8 -34.0 -2.2 42.0 108.8 38 41 A G < - 0 0 9 -5,-2.7 4,-0.4 1,-0.2 -7,-0.1 -0.335 30.0 -69.4 86.6 176.9 1.6 42.5 108.9 39 42 A Y S > S+ 0 0 36 -12,-0.2 4,-1.8 -9,-0.2 5,-0.2 0.491 102.6 96.5 -87.5 -1.4 3.4 45.7 109.8 40 43 A G H > S+ 0 0 4 -3,-0.3 4,-2.1 1,-0.2 5,-0.2 0.958 86.4 46.0 -51.2 -55.6 2.5 47.9 106.7 41 44 A P H > S+ 0 0 15 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.932 112.0 48.6 -58.4 -46.4 -0.5 49.7 108.4 42 45 A V H > S+ 0 0 18 -4,-0.4 4,-2.3 1,-0.2 -2,-0.2 0.854 110.3 55.2 -67.4 -25.4 1.3 50.5 111.8 43 46 A L H X S+ 0 0 2 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.889 108.3 45.1 -74.9 -38.3 4.3 51.9 109.8 44 47 A V H X S+ 0 0 9 -4,-2.1 4,-2.1 -3,-0.2 5,-0.2 0.942 112.3 53.0 -73.7 -29.7 2.1 54.3 107.8 45 48 A R H X S+ 0 0 77 -4,-2.5 4,-2.8 -5,-0.2 -2,-0.2 0.936 108.9 50.8 -63.2 -38.1 0.4 55.3 111.1 46 49 A L H X S+ 0 0 1 -4,-2.3 4,-2.3 1,-0.2 5,-0.3 0.962 108.9 49.9 -64.5 -45.5 3.9 56.0 112.6 47 50 A A H X S+ 0 0 0 -4,-2.0 4,-0.8 1,-0.2 -1,-0.2 0.858 113.5 46.8 -62.0 -34.7 5.0 58.2 109.7 48 51 A W H X S+ 0 0 45 -4,-2.1 4,-2.4 2,-0.2 3,-0.3 0.933 112.4 49.8 -73.5 -42.5 1.7 60.2 110.0 49 52 A H H < S+ 0 0 14 -4,-2.8 4,-0.3 -5,-0.2 -2,-0.2 0.892 110.2 47.5 -66.1 -36.3 2.0 60.6 113.8 50 53 A I H < S+ 0 0 5 -4,-2.3 -1,-0.2 -5,-0.2 3,-0.2 0.782 120.9 41.5 -71.9 -22.8 5.7 61.9 113.8 51 54 A S H >< S+ 0 0 0 -4,-0.8 3,-1.3 -5,-0.3 -2,-0.2 0.769 102.4 67.8 -89.0 -28.8 4.6 64.3 111.0 52 55 A G T 3< S+ 0 0 0 -4,-2.4 -1,-0.1 1,-0.3 -2,-0.1 0.440 80.5 75.6 -78.3 -3.7 1.2 65.4 112.5 53 56 A T T 3 S+ 0 0 6 -4,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.470 71.4 123.2 -81.1 -2.9 2.6 67.2 115.4 54 57 A W < - 0 0 23 -3,-1.3 2,-0.5 7,-0.2 7,-0.2 -0.305 46.0-161.2 -67.2 141.5 3.6 70.1 113.1 55 58 A D B >>> -B 60 0B 30 5,-2.3 4,-1.2 1,-0.1 3,-0.8 -0.927 8.8-157.7-123.9 115.0 2.3 73.6 113.8 56 59 A K T 345S+ 0 0 75 101,-2.4 -1,-0.1 -2,-0.5 102,-0.1 0.686 85.4 67.0 -61.4 -20.5 2.4 76.1 110.9 57 60 A H T 345S+ 0 0 132 100,-0.2 -1,-0.2 1,-0.2 100,-0.0 0.901 123.0 7.8 -75.5 -36.9 2.4 79.1 113.1 58 61 A D T <45S- 0 0 80 -3,-0.8 -2,-0.2 2,-0.1 -1,-0.2 0.210 97.8-117.3-125.0 11.1 5.8 78.7 114.8 59 62 A N T <5 + 0 0 27 -4,-1.2 2,-0.2 1,-0.2 -3,-0.2 0.781 63.9 145.2 56.8 26.2 7.3 75.8 112.7 60 63 A T B < +B 55 0B 32 -5,-0.8 -5,-2.3 -7,-0.1 -1,-0.2 -0.584 48.7 12.1 -88.0 160.4 7.5 73.4 115.7 61 64 A G S S+ 0 0 15 73,-0.4 3,-0.3 -7,-0.2 -7,-0.2 -0.212 70.6 118.6 70.3-160.5 6.9 69.7 115.5 62 65 A G S S- 0 0 5 -12,-0.2 3,-0.4 1,-0.2 4,-0.2 -0.170 81.8 -60.9 85.8 175.9 6.7 67.8 112.2 63 66 A S S > S+ 0 0 3 206,-0.4 3,-1.1 203,-0.3 -1,-0.2 0.680 107.1 88.9 -71.3 -16.2 9.0 65.0 110.9 64 67 A Y T 3 S+ 0 0 20 205,-0.4 38,-0.3 -3,-0.3 39,-0.2 0.883 85.1 42.6 -52.3 -51.3 12.3 66.9 110.8 65 68 A G T 3 S- 0 0 7 -3,-0.4 65,-2.1 -4,-0.2 -1,-0.2 0.467 89.7-133.9 -87.0 -2.2 13.8 66.4 114.3 66 69 A G X + 0 0 3 -3,-1.1 3,-1.6 63,-0.2 4,-0.1 0.755 48.4 156.0 55.9 28.5 13.1 62.7 114.8 67 70 A T G > + 0 0 7 1,-0.3 3,-1.9 2,-0.2 6,-0.4 0.537 48.8 84.9 -71.9 -7.5 11.8 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 0.764 78.2 73.4 -57.7 -24.5 9.5 60.5 118.7 69 72 A R G < S+ 0 0 77 -3,-1.6 2,-0.3 4,-0.1 -1,-0.3 0.671 84.2 85.7 -62.0 -23.0 12.8 58.8 119.8 70 73 A F S X> S- 0 0 26 -3,-1.9 4,-2.7 -4,-0.1 3,-0.6 -0.672 89.2-119.5 -85.1 146.3 12.4 60.8 123.1 71 74 A K H 3> S+ 0 0 139 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.834 107.2 58.4 -51.5 -48.8 10.3 59.6 126.0 72 75 A K H 34 S+ 0 0 84 1,-0.2 -1,-0.2 2,-0.2 4,-0.1 0.903 116.1 34.3 -50.1 -48.3 7.8 62.5 126.1 73 76 A E H X4 S+ 0 0 5 -3,-0.6 3,-1.1 -6,-0.4 -1,-0.2 0.882 115.9 56.2 -75.5 -41.1 6.7 61.9 122.5 74 77 A F H 3< S+ 0 0 40 -4,-2.7 -2,-0.2 -7,-0.3 -3,-0.2 0.895 111.7 43.4 -58.1 -38.6 7.1 58.1 122.7 75 78 A N T 3< S+ 0 0 104 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.352 78.4 132.8 -93.8 6.6 4.7 57.9 125.7 76 79 A D X - 0 0 11 -3,-1.1 3,-2.9 -5,-0.2 4,-0.3 -0.447 63.9-128.6 -52.5 121.2 2.1 60.3 124.3 77 80 A P G > S+ 0 0 102 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 0.875 109.3 59.7 -40.2 -42.1 -1.4 58.6 124.9 78 81 A S G 3 S+ 0 0 41 1,-0.3 -2,-0.1 63,-0.1 -3,-0.0 0.617 100.0 56.6 -65.6 -11.6 -2.2 59.2 121.2 79 82 A N G X S+ 0 0 1 -3,-2.9 3,-2.1 -6,-0.1 4,-0.4 0.366 73.1 137.5-101.4 7.1 0.9 57.2 120.2 80 83 A A T < S+ 0 0 28 -3,-1.7 101,-0.1 -4,-0.3 -5,-0.1 -0.250 72.6 23.2 -55.2 127.8 -0.2 54.0 122.0 81 84 A G T > S+ 0 0 5 100,-0.1 3,-1.1 99,-0.1 4,-0.4 0.061 94.9 97.5 101.6 -25.5 0.5 50.9 119.8 82 85 A L T X> + 0 0 0 -3,-2.1 4,-2.0 1,-0.2 3,-0.8 0.728 61.8 81.9 -71.8 -14.5 3.2 52.7 117.7 83 86 A Q H 3> S+ 0 0 48 -4,-0.4 4,-2.6 1,-0.3 -1,-0.2 0.814 87.0 59.4 -57.2 -30.6 6.0 51.1 119.9 84 87 A N H <> S+ 0 0 51 -3,-1.1 4,-1.7 2,-0.2 -1,-0.3 0.874 104.4 47.2 -61.4 -46.0 5.5 48.1 117.7 85 88 A G H <> S+ 0 0 0 -3,-0.8 4,-1.6 -4,-0.4 -2,-0.2 0.900 112.7 50.7 -65.9 -39.2 6.4 50.1 114.6 86 89 A F H X S+ 0 0 49 -4,-2.0 4,-1.5 1,-0.2 -2,-0.2 0.915 108.2 51.2 -61.0 -48.5 9.5 51.5 116.4 87 90 A K H < S+ 0 0 113 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.851 108.1 53.7 -63.5 -32.7 10.6 48.0 117.4 88 91 A F H < S+ 0 0 4 -4,-1.7 4,-0.4 1,-0.2 -1,-0.2 0.876 112.1 43.1 -64.0 -43.6 10.4 46.8 113.8 89 92 A L H X S+ 0 0 2 -4,-1.6 4,-2.1 1,-0.2 3,-0.4 0.740 93.7 83.6 -78.9 -21.0 12.5 49.6 112.4 90 93 A E H X S+ 0 0 79 -4,-1.5 4,-2.1 1,-0.2 5,-0.2 0.913 89.3 48.3 -52.9 -49.3 15.1 49.3 115.2 91 94 A P H > S+ 0 0 66 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.845 111.2 54.6 -57.0 -31.9 17.2 46.4 113.7 92 95 A I H > S+ 0 0 6 -4,-0.4 4,-1.6 -3,-0.4 -2,-0.2 0.898 104.9 50.6 -72.2 -37.9 17.2 48.4 110.4 93 96 A H H < S+ 0 0 45 -4,-2.1 6,-0.2 1,-0.2 3,-0.2 0.914 108.6 53.0 -68.1 -38.6 18.6 51.5 112.1 94 97 A K H < S+ 0 0 141 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.864 111.2 48.1 -58.4 -33.9 21.4 49.3 113.6 95 98 A E H < S+ 0 0 126 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.775 123.7 30.4 -74.5 -32.7 22.2 48.1 110.1 96 99 A F S >< S+ 0 0 21 -4,-1.6 3,-1.5 -3,-0.2 -1,-0.2 -0.618 70.8 167.2-125.1 72.7 22.2 51.6 108.5 97 100 A P T 3 + 0 0 99 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.698 67.9 68.7 -68.6 -17.6 23.5 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 0.679 77.8 93.3 -73.5 -20.7 24.1 56.8 109.2 99 102 A I S < S- 0 0 5 -3,-1.5 2,-0.1 -6,-0.2 -3,-0.1 -0.558 78.4-120.3 -77.9 141.5 20.4 57.5 108.4 100 103 A S > - 0 0 15 -2,-0.2 4,-2.4 27,-0.2 5,-0.2 -0.395 20.2-116.3 -72.7 159.4 18.6 60.1 110.7 101 104 A S H > S+ 0 0 8 2,-0.2 4,-3.0 1,-0.2 5,-0.3 0.945 114.8 50.7 -59.4 -49.6 15.6 59.1 112.7 102 105 A G H > S+ 0 0 0 -38,-0.3 4,-2.2 2,-0.2 5,-0.3 0.923 111.9 49.2 -55.1 -45.0 13.1 61.4 110.9 103 106 A D H > S+ 0 0 0 24,-0.2 4,-2.5 -39,-0.2 -2,-0.2 0.940 114.3 44.7 -61.0 -44.9 14.4 60.0 107.5 104 107 A L H X S+ 0 0 3 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.924 114.0 47.9 -64.1 -48.0 13.9 56.4 108.7 105 108 A F H X S+ 0 0 4 -4,-3.0 4,-1.3 2,-0.2 -58,-0.2 0.948 117.6 42.4 -59.9 -43.2 10.4 56.9 110.3 106 109 A S H X S+ 0 0 0 -4,-2.2 4,-1.8 -5,-0.3 -2,-0.2 0.922 112.6 51.8 -73.6 -38.5 9.1 58.7 107.3 107 110 A L H X S+ 0 0 0 -4,-2.5 4,-2.7 -5,-0.3 5,-0.2 0.877 101.4 63.8 -66.1 -31.8 10.8 56.3 104.8 108 111 A G H X S+ 0 0 1 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.936 104.8 46.3 -50.3 -47.6 9.1 53.5 106.8 109 112 A G H X S+ 0 0 0 -4,-1.3 4,-2.4 -66,-0.2 -2,-0.2 0.930 112.1 49.2 -61.8 -49.5 5.7 55.0 105.7 110 113 A V H X S+ 0 0 0 -4,-1.8 4,-2.2 2,-0.2 5,-0.2 0.911 112.3 48.3 -56.4 -46.9 6.7 55.4 102.0 111 114 A T H X S+ 0 0 0 -4,-2.7 4,-2.9 2,-0.2 5,-0.3 0.947 110.5 51.3 -62.5 -46.9 8.0 51.8 101.8 112 115 A A H X S+ 0 0 0 -4,-2.4 4,-2.1 -5,-0.2 6,-0.3 0.953 110.2 48.6 -55.4 -49.2 4.8 50.3 103.4 113 116 A V H <>S+ 0 0 0 -4,-2.4 5,-2.5 1,-0.2 82,-0.2 0.936 115.6 43.2 -60.7 -46.0 2.4 52.1 101.0 114 117 A Q H ><5S+ 0 0 7 -4,-2.2 3,-1.1 1,-0.2 -1,-0.2 0.893 113.9 49.5 -70.3 -37.3 4.4 51.1 97.9 115 118 A E H 3<5S+ 0 0 44 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.782 103.7 61.4 -73.1 -19.9 4.9 47.5 99.1 116 119 A M T 3<5S- 0 0 15 -4,-2.1 79,-3.0 -5,-0.3 -1,-0.3 0.134 128.0-100.3 -88.5 25.9 1.1 47.3 99.8 117 120 A Q T < 5S+ 0 0 127 -3,-1.1 -3,-0.2 77,-0.2 -2,-0.2 0.721 80.0 141.9 61.5 25.6 0.6 48.0 96.1 118 121 A G < - 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0 0 34 -2,-0.8 3,-0.5 -5,-0.2 -23,-0.2 -0.866 68.6 -96.5-138.3-178.3 -7.2 50.5 97.6 197 200 A N S >> S+ 0 0 19 -2,-0.3 4,-1.4 1,-0.2 3,-0.9 0.185 81.5 122.2 -86.9 26.1 -10.1 53.0 97.6 198 201 A E H 3> + 0 0 26 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.804 58.6 65.2 -60.5 -37.3 -12.0 50.6 99.8 199 202 A F H 3> S+ 0 0 1 -3,-0.5 4,-1.8 -29,-0.4 -1,-0.2 0.893 106.1 44.5 -52.6 -41.7 -12.5 53.2 102.7 200 203 A Y H <> S+ 0 0 0 -3,-0.9 4,-2.4 2,-0.2 5,-0.2 0.948 111.5 50.1 -72.3 -49.4 -14.7 55.4 100.4 201 204 A L H X S+ 0 0 64 -4,-1.4 4,-2.9 1,-0.2 5,-0.3 0.950 113.2 48.2 -56.5 -45.9 -16.8 52.6 98.9 202 205 A N H X S+ 0 0 14 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.898 109.2 51.9 -62.1 -40.3 -17.6 51.2 102.4 203 206 A L H < S+ 0 0 3 -4,-1.8 -1,-0.2 -5,-0.3 -2,-0.2 0.943 118.6 38.0 -65.3 -39.1 -18.5 54.6 103.7 204 207 A L H < S+ 0 0 57 -4,-2.4 -2,-0.2 -5,-0.1 -1,-0.2 0.822 125.6 35.5 -80.1 -28.0 -20.9 55.0 100.8 205 208 A N H < S+ 0 0 114 -4,-2.9 -3,-0.2 -5,-0.2 2,-0.2 0.622 92.9 88.6-110.2 -10.1 -22.2 51.4 100.6 206 209 A E S < S- 0 0 49 -4,-2.1 2,-1.1 -5,-0.3 16,-0.0 -0.501 74.4-122.3 -86.9 156.1 -22.5 50.0 104.0 207 210 A D - 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0 0 53 -34,-0.2 -4,-2.6 -4,-0.1 2,-0.3 -0.814 59.7-119.1-103.4 147.4 -17.0 55.1 123.1 218 221 A E E +E 212 0E 96 -2,-0.4 2,-0.3 -6,-0.2 -6,-0.2 -0.663 37.3 163.1 -84.2 144.2 -19.3 55.4 120.2 219 222 A Q E -E 211 0E 6 -8,-2.3 -8,-2.9 -2,-0.3 2,-0.6 -0.973 40.3-109.6-147.5 161.7 -18.4 54.1 116.7 220 223 A W E -EF 210 228E 46 8,-2.3 8,-2.4 -2,-0.3 2,-0.3 -0.837 38.0-169.8 -92.6 119.0 -20.4 53.3 113.6 221 224 A D E -EF 209 227E 29 -12,-3.1 -12,-2.7 -2,-0.6 2,-0.3 -0.858 5.9-150.9-111.0 142.9 -20.6 49.6 113.0 222 225 A S E > -E 208 0E 13 4,-2.4 3,-2.3 -2,-0.3 -14,-0.2 -0.829 29.8-111.9-112.9 161.7 -21.9 47.7 109.9 223 226 A K T 3 S+ 0 0 177 -16,-0.7 -1,-0.1 -2,-0.3 -15,-0.1 0.882 114.0 64.9 -47.7 -40.9 -23.6 44.3 109.2 224 227 A S T 3 S- 0 0 63 1,-0.1 -1,-0.3 -17,-0.1 3,-0.1 0.500 121.4-101.8 -62.1 -11.2 -20.4 43.2 107.5 225 228 A G S < S+ 0 0 53 -3,-2.3 2,-0.2 1,-0.3 -2,-0.1 0.548 80.9 127.5 97.3 6.0 -18.2 43.4 110.6 226 229 A Y - 0 0 42 -4,-0.2 -4,-2.4 -38,-0.1 2,-0.3 -0.530 40.7-153.7 -95.1 162.2 -16.6 46.8 109.7 227 230 A M E -F 221 0E 6 -40,-2.6 2,-0.4 -6,-0.2 -6,-0.2 -0.944 7.0-161.3-133.4 154.5 -16.3 50.0 111.8 228 231 A M E -F 220 0E 1 -8,-2.4 -8,-2.3 -2,-0.3 3,-0.0 -0.997 21.5-128.1-130.6 135.2 -15.9 53.7 111.2 229 232 A L > - 0 0 19 -2,-0.4 4,-2.7 -10,-0.2 5,-0.3 -0.569 31.3-109.8 -67.3 154.9 -14.7 56.3 113.7 230 233 A P H > S+ 0 0 22 0, 0.0 4,-2.4 0, 0.0 -85,-0.2 0.939 123.7 51.4 -46.5 -48.6 -17.0 59.5 114.3 231 234 A T H 4 S+ 0 0 12 -87,-2.0 4,-0.5 1,-0.2 -86,-0.1 0.889 111.4 48.1 -63.5 -31.3 -14.3 61.5 112.5 232 235 A D H >4 S+ 0 0 6 -88,-0.2 3,-1.5 -3,-0.2 -1,-0.2 0.954 110.1 48.9 -67.4 -50.4 -14.4 59.0 109.6 233 236 A Y H >X S+ 0 0 44 -4,-2.7 3,-2.5 1,-0.3 4,-0.7 0.854 97.2 75.7 -59.7 -32.5 -18.2 59.0 109.3 234 237 A S H >X S+ 0 0 0 -4,-2.4 4,-1.5 1,-0.3 3,-0.8 0.773 78.9 72.8 -42.6 -35.0 -17.9 62.9 109.4 235 238 A L H <4 S+ 0 0 0 -3,-1.5 -1,-0.3 -4,-0.5 10,-0.3 0.659 100.5 41.5 -68.5 -16.6 -16.7 62.8 105.8 236 239 A I H <4 S+ 0 0 40 -3,-2.5 -1,-0.3 -4,-0.2 -2,-0.2 0.503 109.8 59.4-103.3 -3.5 -20.2 61.8 104.5 237 240 A Q H << S+ 0 0 115 -3,-0.8 -2,-0.2 -4,-0.7 -3,-0.1 0.673 94.2 71.1 -89.5 -20.6 -22.0 64.3 106.9 238 241 A D S X S- 0 0 25 -4,-1.5 4,-2.8 1,-0.1 5,-0.2 -0.868 77.6-143.5 -98.5 130.4 -20.2 67.4 105.5 239 242 A P H > S+ 0 0 101 0, 0.0 4,-1.4 0, 0.0 -1,-0.1 0.815 99.3 47.6 -63.9 -35.7 -21.3 68.3 101.9 240 243 A K H > S+ 0 0 115 2,-0.2 4,-1.2 1,-0.1 3,-0.2 0.955 115.0 45.6 -69.7 -46.8 -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,-0.6 0.949 108.5 59.6 -61.2 -38.0 -16.2 66.2 102.1 242 245 A L H 3X S+ 0 0 47 -4,-2.8 4,-2.3 1,-0.3 -1,-0.2 0.886 100.0 53.2 -63.5 -38.3 -19.0 64.1 100.6 243 246 A S H 3X S+ 0 0 67 -4,-1.4 4,-1.1 1,-0.2 -1,-0.3 0.891 112.3 45.8 -63.4 -33.6 -18.4 65.1 97.0 244 247 A I H S+ 0 0 64 -3,-0.2 4,-2.9 -2,-0.2 5,-0.2 0.867 85.8 58.6 -61.5 -36.9 -9.1 54.9 92.5 253 256 A D H > S+ 0 0 119 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.945 106.2 47.7 -61.8 -42.0 -6.5 56.4 90.2 254 257 A K H > S+ 0 0 50 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.922 112.3 51.6 -61.4 -42.1 -7.5 59.9 91.1 255 258 A F H X S+ 0 0 0 -4,-2.1 4,-2.9 -7,-0.2 5,-0.3 0.943 109.4 49.0 -58.5 -49.3 -7.4 58.8 94.8 256 259 A F H X S+ 0 0 31 -4,-2.9 4,-2.4 2,-0.2 -2,-0.2 0.899 112.2 48.9 -57.4 -40.3 -3.8 57.3 94.3 257 260 A K H X S+ 0 0 108 -4,-2.2 4,-2.1 -5,-0.2 -2,-0.2 0.951 115.8 41.5 -66.4 -46.2 -2.6 60.6 92.7 258 261 A D H X S+ 0 0 10 -4,-2.4 4,-2.7 -5,-0.2 5,-0.2 0.910 113.4 52.6 -73.4 -36.6 -4.0 62.9 95.3 259 262 A F H X S+ 0 0 2 -4,-2.9 4,-2.8 -5,-0.2 5,-0.3 0.951 108.8 52.9 -61.5 -44.1 -3.0 60.6 98.2 260 263 A S H X S+ 0 0 17 -4,-2.4 4,-2.1 -5,-0.3 5,-0.2 0.952 112.1 43.1 -57.1 -51.6 0.6 60.6 96.8 261 264 A K H X S+ 0 0 116 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.926 117.6 46.0 -59.9 -46.2 0.8 64.4 96.7 262 265 A A H X S+ 0 0 1 -4,-2.7 4,-2.4 2,-0.2 -1,-0.2 0.867 111.2 50.2 -69.4 -35.3 -0.8 64.9 100.1 263 266 A F H X S+ 0 0 4 -4,-2.8 4,-2.3 -5,-0.2 -1,-0.2 0.931 111.5 48.4 -71.8 -42.4 1.2 62.3 101.9 264 267 A E H X S+ 0 0 34 -4,-2.1 4,-1.8 -5,-0.3 5,-0.2 0.972 111.8 50.9 -58.0 -48.6 4.5 63.7 100.6 265 268 A K H X S+ 0 0 60 -4,-2.3 4,-1.1 1,-0.2 3,-0.3 0.920 110.0 49.9 -51.7 -47.8 3.4 67.2 101.6 266 269 A L H < S+ 0 0 3 -4,-2.4 3,-0.4 1,-0.2 -203,-0.3 0.886 111.1 48.4 -58.0 -44.9 2.6 65.9 105.1 267 270 A L H < S+ 0 0 3 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.716 116.6 43.8 -71.5 -20.3 6.0 64.2 105.4 268 271 A E H >< S+ 0 0 34 -4,-1.8 3,-1.6 -3,-0.3 -1,-0.2 0.459 79.3 126.4-104.5 -4.4 7.8 67.5 104.3 269 272 A N T 3< S+ 0 0 18 -4,-1.1 -206,-0.4 -3,-0.4 -205,-0.4 -0.317 76.0 21.0 -53.9 132.5 5.9 70.1 106.3 270 273 A G T 3 S+ 0 0 12 1,-0.2 2,-0.5 -208,-0.1 -267,-0.3 0.433 100.3 110.8 90.2 0.6 8.2 72.4 108.3 271 274 A I < - 0 0 19 -3,-1.6 2,-0.5 -269,-0.1 -1,-0.2 -0.904 55.1-150.1-118.0 128.7 11.3 71.6 106.2 272 275 A T B -a 4 0A 70 -269,-2.8 -267,-2.8 -2,-0.5 -3,-0.0 -0.833 10.8-154.7 -91.8 123.8 13.2 74.0 103.9 273 276 A F - 0 0 46 -2,-0.5 2,-0.1 -269,-0.2 -267,-0.1 -0.876 11.5-140.0 -98.9 120.0 14.9 72.3 100.9 274 277 A P > - 0 0 36 0, 0.0 3,-1.7 0, 0.0 0, 0.0 -0.484 24.2-118.9 -64.6 150.5 18.0 74.3 99.5 275 278 A K T 3 S+ 0 0 188 1,-0.3 4,-0.0 -2,-0.1 -2,-0.0 0.554 114.4 66.5 -81.1 6.7 17.9 74.1 95.6 276 279 A D T 3 S+ 0 0 143 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.754 83.1 109.5 -78.8 -22.0 21.3 72.4 95.7 277 280 A A S < S- 0 0 15 -3,-1.7 -4,-0.0 1,-0.1 -151,-0.0 -0.053 84.1 -94.8 -48.3 144.6 19.3 69.5 97.4 278 281 A P - 0 0 53 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.298 44.6-105.6 -54.9 143.3 18.8 66.3 95.5 279 282 A S - 0 0 94 1,-0.1 -156,-0.1 -3,-0.1 -4,-0.0 -0.312 57.5 -72.7 -56.3 160.0 15.4 66.1 93.6 280 283 A P - 0 0 46 0, 0.0 2,-0.3 0, 0.0 -156,-0.2 -0.281 53.1-125.4 -59.1 137.0 12.9 63.7 95.4 281 284 A F B -C 123 0C 29 -158,-3.1 -158,-2.4 -3,-0.1 2,-0.6 -0.689 11.7-153.4 -82.5 141.4 13.7 60.0 95.0 282 285 A I - 0 0 80 -2,-0.3 2,-0.2 -160,-0.2 -162,-0.0 -0.926 23.1-146.8-106.3 109.2 11.2 57.5 93.6 283 286 A F - 0 0 0 -2,-0.6 2,-0.2 -162,-0.4 -162,-0.1 -0.517 8.9-122.3 -83.8 143.6 12.2 54.1 95.0 284 287 A K - 0 0 105 -2,-0.2 2,-0.1 1,-0.1 -1,-0.1 -0.563 26.5-121.9 -71.8 141.2 11.7 50.8 93.2 285 288 A T > - 0 0 21 -2,-0.2 4,-1.4 1,-0.1 6,-0.2 -0.448 27.4-106.0 -71.1 163.7 9.6 48.1 94.8 286 289 A L H >>>S+ 0 0 1 1,-0.2 5,-2.4 2,-0.2 4,-0.8 0.962 124.2 53.8 -50.7 -41.4 11.1 44.6 95.6 287 290 A E H >45S+ 0 0 158 1,-0.3 3,-0.9 2,-0.2 -1,-0.2 0.878 103.7 53.3 -63.3 -41.8 9.1 43.4 92.7 288 291 A E H 345S+ 0 0 104 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.2 0.831 113.5 44.9 -63.4 -26.0 10.5 45.9 90.3 289 292 A Q H <<5S- 0 0 60 -4,-1.4 -1,-0.2 -3,-0.8 -2,-0.2 0.511 112.3-116.3 -96.1 -4.7 14.0 44.8 91.3 290 293 A G T <<5 0 0 70 -3,-0.9 -3,-0.2 -4,-0.8 -4,-0.1 0.827 360.0 360.0 69.9 30.8 13.3 41.0 91.1 291 294 A L < 0 0 101 -5,-2.4 -1,-0.2 -6,-0.2 -2,-0.1 -0.609 360.0 360.0-109.5 360.0 14.0 40.7 94.9