==== 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 25-FEB-97 1AEV . COMPND 2 MOLECULE: CYTOCHROME C PEROXIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR R.A.MUSAH,M.M.FITZGERALD,G.M.JENSEN,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) . 13017.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 180 61.9 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 . 15 5.2 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 . 8 2.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 13.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 105 36.1 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 . 3 1 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 . 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 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 0 130 0, 0.0 2,-0.3 0, 0.0 269,-0.0 0.000 360.0 360.0 360.0 128.9 12.4 78.2 113.6 2 5 A V - 0 0 108 2,-0.0 2,-0.4 270,-0.0 269,-0.1 -0.884 360.0-163.0-109.3 149.4 13.9 77.4 110.2 3 6 A H - 0 0 26 -2,-0.3 269,-3.1 267,-0.1 2,-0.4 -0.857 7.9-160.9-134.7 102.9 14.8 73.6 109.6 4 7 A V B -a 272 0A 74 -2,-0.4 2,-0.4 267,-0.2 269,-0.2 -0.681 20.9-120.5 -90.0 134.2 17.1 73.3 106.7 5 8 A A - 0 0 12 267,-2.8 2,-0.5 -2,-0.4 122,-0.2 -0.620 28.6-169.0 -71.5 129.4 17.4 69.8 105.2 6 9 A S - 0 0 75 120,-2.5 120,-0.2 -2,-0.4 3,-0.1 -0.936 20.7-127.3-119.6 107.3 21.0 68.5 105.2 7 10 A V - 0 0 52 -2,-0.5 3,-0.1 118,-0.1 5,-0.0 -0.220 37.0 -97.5 -48.7 135.1 21.8 65.3 103.2 8 11 A E > - 0 0 19 1,-0.1 3,-2.3 2,-0.1 -1,-0.1 -0.351 59.9 -89.2 -51.6 125.6 23.5 62.5 105.3 9 12 A K T 3 S- 0 0 176 1,-0.3 -1,-0.1 -3,-0.1 3,-0.1 -0.198 103.6 -2.9 -56.1 114.4 27.1 63.0 104.4 10 13 A G T 3 S+ 0 0 77 1,-0.3 2,-0.3 -3,-0.1 -1,-0.3 0.483 97.1 132.5 92.5 4.2 28.2 61.1 101.4 11 14 A R < + 0 0 90 -3,-2.3 -1,-0.3 87,-0.1 2,-0.2 -0.643 28.4 177.5 -95.0 134.8 24.9 59.3 100.8 12 15 A S >> - 0 0 53 -2,-0.3 4,-1.3 -3,-0.1 3,-1.1 -0.685 50.1 -74.0-118.6-170.6 23.2 59.1 97.3 13 16 A Y H 3> S+ 0 0 67 1,-0.2 4,-2.6 -2,-0.2 5,-0.2 0.889 125.4 57.2 -48.2 -45.6 20.0 57.4 95.9 14 17 A E H 3> S+ 0 0 114 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.817 102.0 54.8 -63.3 -28.5 21.5 53.9 96.0 15 18 A D H <> S+ 0 0 26 -3,-1.1 4,-1.4 2,-0.2 -1,-0.2 0.940 110.7 45.3 -69.7 -43.5 22.2 54.1 99.8 16 19 A F H X S+ 0 0 0 -4,-1.3 4,-2.6 1,-0.2 3,-0.2 0.919 106.8 58.9 -68.5 -37.8 18.5 55.0 100.5 17 20 A Q H X S+ 0 0 12 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.830 103.8 53.3 -56.4 -33.9 17.3 52.3 98.2 18 21 A K H X S+ 0 0 102 -4,-1.2 4,-1.8 -3,-0.2 -1,-0.2 0.873 108.3 48.0 -70.3 -38.4 19.2 49.8 100.4 19 22 A V H X S+ 0 0 0 -4,-1.4 4,-2.2 -3,-0.2 -2,-0.2 0.940 112.8 49.4 -66.0 -41.9 17.4 51.1 103.5 20 23 A Y H X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 5,-0.2 0.947 111.4 49.8 -56.8 -51.9 14.0 50.8 101.6 21 24 A N H X S+ 0 0 25 -4,-2.6 4,-1.9 1,-0.2 5,-0.2 0.878 109.3 51.6 -58.0 -36.7 14.9 47.2 100.5 22 25 A A H X S+ 0 0 18 -4,-1.8 4,-1.6 2,-0.2 -1,-0.2 0.923 112.2 44.8 -67.3 -47.0 15.8 46.3 104.1 23 26 A I H X S+ 0 0 0 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.972 115.9 48.4 -56.5 -52.8 12.4 47.6 105.5 24 27 A A H X S+ 0 0 1 -4,-2.8 4,-1.6 1,-0.2 -2,-0.2 0.797 109.9 50.4 -63.3 -31.2 10.5 45.9 102.6 25 28 A L H X S+ 0 0 70 -4,-1.9 4,-1.9 -5,-0.2 -1,-0.2 0.849 111.0 49.9 -72.0 -38.1 12.3 42.5 103.1 26 29 A K H X S+ 0 0 41 -4,-1.6 4,-2.7 -5,-0.2 -2,-0.2 0.855 107.5 54.1 -70.9 -30.7 11.5 42.6 106.8 27 30 A L H < S+ 0 0 25 -4,-2.1 -2,-0.2 2,-0.2 12,-0.2 0.929 109.4 48.8 -62.4 -45.9 7.8 43.4 105.9 28 31 A R H < S+ 0 0 135 -4,-1.6 3,-0.4 -5,-0.2 -2,-0.2 0.928 117.2 42.5 -55.8 -45.2 7.7 40.3 103.7 29 32 A E H < S+ 0 0 135 -4,-1.9 2,-2.0 1,-0.2 3,-0.3 0.949 107.6 53.5 -71.6 -55.7 9.2 38.2 106.4 30 33 A D >< + 0 0 31 -4,-2.7 3,-0.7 1,-0.2 9,-0.5 -0.253 67.5 141.8 -82.0 59.1 7.4 39.3 109.6 31 34 A D T 3 + 0 0 90 -2,-2.0 -1,-0.2 -3,-0.4 -2,-0.1 0.658 52.8 72.3 -77.3 -10.6 4.0 38.6 108.1 32 35 A E T 3> + 0 0 85 -3,-0.3 4,-2.1 4,-0.1 3,-0.3 0.748 64.6 120.5 -79.8 -23.4 2.4 37.2 111.3 33 36 A Y H <>>S+ 0 0 39 -3,-0.7 5,-2.6 2,-0.2 4,-1.2 -0.066 81.7 3.2 -46.6 136.5 2.0 40.5 113.3 34 37 A D H >45S- 0 0 41 1,-0.2 3,-1.0 2,-0.2 -1,-0.2 0.947 140.1 -42.6 50.8 61.4 -1.6 41.5 114.4 35 38 A N H 345S- 0 0 150 -3,-0.3 -1,-0.2 1,-0.2 -2,-0.2 0.891 113.7 -51.2 51.0 47.5 -3.4 38.4 113.0 36 39 A Y H 3<5S+ 0 0 158 -4,-2.1 -1,-0.2 1,-0.1 -2,-0.2 0.736 108.7 117.6 63.4 24.0 -1.5 38.3 109.7 37 40 A I T <<5 - 0 0 16 -4,-1.2 3,-0.3 -3,-1.0 -3,-0.2 0.840 65.4-150.7 -75.9 -37.4 -2.1 41.9 108.8 38 41 A G < - 0 0 9 -5,-2.6 4,-0.4 1,-0.2 -7,-0.2 -0.107 30.1 -68.6 82.1 165.9 1.7 42.4 109.0 39 42 A Y S > S+ 0 0 35 -9,-0.5 4,-1.8 1,-0.2 -1,-0.2 0.498 102.5 96.1 -76.3 -4.3 3.5 45.7 109.9 40 43 A G H > S+ 0 0 5 -3,-0.3 4,-1.9 1,-0.2 3,-0.4 0.931 85.1 46.6 -54.7 -57.3 2.6 47.9 106.9 41 44 A P H > S+ 0 0 14 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.920 112.2 49.4 -55.0 -45.4 -0.4 49.7 108.4 42 45 A V H > S+ 0 0 20 -4,-0.4 4,-1.8 1,-0.2 -2,-0.2 0.854 109.1 55.4 -68.4 -20.6 1.4 50.5 111.8 43 46 A L H X S+ 0 0 2 -4,-1.8 4,-2.1 -3,-0.4 -1,-0.2 0.879 108.3 46.0 -74.5 -37.5 4.4 51.9 109.7 44 47 A V H X S+ 0 0 10 -4,-1.9 4,-2.0 1,-0.2 5,-0.2 0.921 112.0 52.0 -77.1 -28.8 2.2 54.3 107.8 45 48 A R H X S+ 0 0 70 -4,-2.3 4,-2.4 -5,-0.2 -2,-0.2 0.895 108.9 51.4 -65.4 -33.3 0.5 55.4 111.1 46 49 A L H X S+ 0 0 1 -4,-1.8 4,-2.0 -5,-0.2 5,-0.3 0.983 109.5 49.0 -67.7 -46.8 4.0 56.0 112.6 47 50 A A H X S+ 0 0 0 -4,-2.1 4,-0.7 58,-0.2 -2,-0.2 0.867 114.0 46.4 -56.8 -38.6 5.1 58.3 109.6 48 51 A W H X S+ 0 0 49 -4,-2.0 4,-2.3 1,-0.2 3,-0.4 0.929 112.5 50.7 -72.3 -40.8 1.8 60.3 109.9 49 52 A H H < S+ 0 0 14 -4,-2.4 -2,-0.2 -5,-0.2 4,-0.2 0.813 108.9 47.9 -66.6 -31.9 2.1 60.6 113.8 50 53 A I H < S+ 0 0 5 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.705 120.9 41.7 -78.8 -16.0 5.7 61.9 113.8 51 54 A S H >< S+ 0 0 0 -4,-0.7 3,-1.4 -3,-0.4 -2,-0.2 0.778 101.7 68.0 -92.4 -28.1 4.6 64.4 111.0 52 55 A G T 3< S+ 0 0 0 -4,-2.3 -3,-0.1 1,-0.3 -1,-0.1 0.430 81.6 76.2 -78.6 -3.1 1.2 65.4 112.4 53 56 A T T 3 S+ 0 0 7 -4,-0.2 -1,-0.3 -5,-0.2 2,-0.1 0.416 71.7 122.6 -81.6 -4.3 2.7 67.2 115.4 54 57 A W < - 0 0 22 -3,-1.4 2,-0.5 7,-0.3 7,-0.2 -0.361 46.7-159.8 -70.2 143.5 3.6 70.2 113.1 55 58 A D B >>> -B 60 0B 30 5,-2.7 4,-1.3 -2,-0.1 3,-1.3 -0.859 7.8-158.7-124.4 112.1 2.4 73.6 113.7 56 59 A K T 345S+ 0 0 74 101,-2.7 -1,-0.1 -2,-0.5 102,-0.1 0.591 85.6 65.1 -56.1 -17.5 2.4 76.0 110.8 57 60 A H T 345S+ 0 0 130 100,-0.2 -1,-0.3 1,-0.1 100,-0.0 0.821 122.5 9.6 -82.9 -36.4 2.4 79.1 113.0 58 61 A D T <45S- 0 0 80 -3,-1.3 -2,-0.2 2,-0.1 -1,-0.1 0.208 98.2-118.0-123.9 7.7 5.8 78.7 114.8 59 62 A N T <5 + 0 0 26 -4,-1.3 2,-0.2 1,-0.2 -3,-0.2 0.731 63.9 143.9 59.7 23.1 7.3 75.9 112.7 60 63 A T B < +B 55 0B 36 -5,-0.8 -5,-2.7 -7,-0.0 -1,-0.2 -0.640 48.5 12.3 -87.8 156.5 7.5 73.5 115.7 61 64 A G + 0 0 15 73,-0.4 3,-0.3 -7,-0.2 -7,-0.3 -0.342 69.0 118.0 76.9-160.2 7.0 69.7 115.4 62 65 A G S S- 0 0 4 1,-0.2 3,-0.4 -13,-0.1 4,-0.2 -0.151 81.9 -61.8 83.2 175.8 6.7 67.8 112.1 63 66 A S S > S+ 0 0 2 203,-0.3 3,-0.9 206,-0.3 -1,-0.2 0.657 107.6 88.1 -74.9 -14.4 9.1 64.9 110.9 64 67 A Y T 3 S+ 0 0 22 205,-0.4 38,-0.3 -3,-0.3 39,-0.2 0.888 87.0 43.3 -54.0 -49.5 12.4 66.8 110.8 65 68 A G T 3 S- 0 0 9 -3,-0.4 65,-1.9 -4,-0.2 -1,-0.2 0.561 89.4-137.9 -81.3 -9.8 13.8 66.4 114.3 66 69 A G X + 0 0 3 -3,-0.9 3,-1.6 -4,-0.2 4,-0.1 0.733 45.1 157.2 57.7 28.3 13.0 62.8 114.8 67 70 A T G > + 0 0 6 1,-0.3 3,-1.6 2,-0.2 6,-0.4 0.497 48.0 87.3 -69.0 -6.9 11.8 63.6 118.3 68 71 A Y G 3 S+ 0 0 0 1,-0.3 6,-0.3 5,-0.2 -1,-0.3 0.780 76.0 74.0 -56.7 -26.1 9.6 60.5 118.8 69 72 A R G < S+ 0 0 79 -3,-1.6 -1,-0.3 4,-0.1 2,-0.3 0.783 84.3 87.6 -60.2 -25.9 12.8 58.8 120.0 70 73 A F S X> S- 0 0 26 -3,-1.6 4,-2.9 -4,-0.1 3,-0.6 -0.548 88.6-121.4 -81.8 143.5 12.3 60.9 123.1 71 74 A K H 3> S+ 0 0 136 -2,-0.3 4,-2.9 1,-0.2 5,-0.1 0.839 106.9 56.8 -46.7 -50.8 10.2 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 0.908 117.0 34.5 -52.8 -47.0 7.7 62.5 126.1 73 76 A E H X4 S+ 0 0 4 -3,-0.6 3,-1.1 -6,-0.4 -2,-0.2 0.906 118.0 52.7 -74.1 -46.1 6.7 61.9 122.4 74 77 A F H 3< S+ 0 0 38 -4,-2.9 -2,-0.2 -7,-0.3 -3,-0.2 0.886 114.0 43.2 -54.1 -45.7 7.1 58.1 122.6 75 78 A N T 3< S+ 0 0 105 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.295 80.0 132.3 -87.2 5.1 4.8 57.9 125.7 76 79 A D X - 0 0 11 -3,-1.1 3,-2.6 -5,-0.1 4,-0.2 -0.469 64.5-127.9 -52.8 124.2 2.2 60.3 124.3 77 80 A P G > S+ 0 0 102 0, 0.0 3,-2.1 0, 0.0 -1,-0.1 0.898 108.5 58.4 -44.4 -44.8 -1.3 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 0.604 99.8 57.5 -60.3 -17.3 -2.2 59.2 121.2 79 82 A N G X S+ 0 0 1 -3,-2.6 3,-2.1 -6,-0.1 4,-0.4 0.307 73.9 141.7 -96.0 10.4 0.8 57.2 120.1 80 83 A A T < S+ 0 0 25 -3,-2.1 101,-0.1 1,-0.3 -5,-0.1 -0.244 71.5 20.9 -54.8 127.4 -0.2 54.0 122.0 81 84 A G T > S+ 0 0 6 99,-0.1 3,-1.4 100,-0.1 4,-0.4 0.058 93.1 100.7 101.7 -26.7 0.7 51.0 119.8 82 85 A L T X> + 0 0 0 -3,-2.1 4,-2.1 1,-0.2 3,-1.2 0.776 62.4 80.7 -69.2 -16.9 3.3 52.7 117.7 83 86 A Q H 3> S+ 0 0 46 -4,-0.4 4,-2.8 1,-0.3 -1,-0.2 0.771 86.4 61.3 -56.2 -26.3 6.1 51.1 119.9 84 87 A N H <> S+ 0 0 50 -3,-1.4 4,-1.6 2,-0.2 -1,-0.3 0.893 105.0 44.2 -65.7 -44.3 5.5 48.1 117.7 85 88 A G H <> S+ 0 0 0 -3,-1.2 4,-1.5 -4,-0.4 -2,-0.2 0.857 113.4 51.8 -71.4 -36.8 6.5 50.0 114.6 86 89 A F H X S+ 0 0 51 -4,-2.1 4,-1.5 2,-0.2 3,-0.4 0.958 107.7 51.5 -60.0 -53.1 9.5 51.5 116.5 87 90 A K H < S+ 0 0 118 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.858 109.3 52.5 -53.7 -37.0 10.6 48.0 117.6 88 91 A F H < S+ 0 0 4 -4,-1.6 4,-0.4 1,-0.2 -1,-0.2 0.847 109.8 46.0 -61.6 -46.5 10.4 46.8 113.9 89 92 A L H X S+ 0 0 2 -4,-1.5 4,-2.0 -3,-0.4 3,-0.3 0.724 92.3 83.3 -75.6 -21.9 12.6 49.6 112.5 90 93 A E H X S+ 0 0 78 -4,-1.5 4,-2.3 1,-0.2 5,-0.2 0.865 87.9 49.3 -54.8 -46.1 15.3 49.3 115.2 91 94 A P H > S+ 0 0 64 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.863 111.4 53.4 -59.0 -33.9 17.3 46.4 113.6 92 95 A I H > S+ 0 0 5 -4,-0.4 4,-1.7 -3,-0.3 -2,-0.2 0.898 107.1 49.4 -71.1 -36.2 17.2 48.4 110.3 93 96 A H H < S+ 0 0 45 -4,-2.0 6,-0.2 2,-0.2 -1,-0.2 0.897 109.1 52.3 -70.9 -40.1 18.7 51.5 112.1 94 97 A K H < S+ 0 0 145 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.842 112.1 48.5 -58.8 -32.1 21.5 49.3 113.7 95 98 A E H < S+ 0 0 125 -4,-1.5 -2,-0.2 1,-0.2 -1,-0.2 0.825 123.4 29.9 -77.1 -33.7 22.2 48.1 110.1 96 99 A F S >< S+ 0 0 20 -4,-1.7 3,-1.7 -5,-0.1 -1,-0.2 -0.619 71.8 167.5-120.4 75.3 22.2 51.6 108.6 97 100 A P T 3 + 0 0 97 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.728 68.2 67.7 -72.4 -17.6 23.5 53.8 111.5 98 101 A W T 3 S+ 0 0 57 -3,-0.1 2,-0.3 2,-0.0 -89,-0.1 0.645 76.9 96.7 -68.7 -22.6 24.1 56.8 109.3 99 102 A I S < S- 0 0 4 -3,-1.7 -3,-0.1 -6,-0.2 3,-0.0 -0.565 77.8-122.1 -75.1 135.2 20.4 57.5 108.5 100 103 A S > - 0 0 15 -2,-0.3 4,-2.3 27,-0.2 5,-0.2 -0.312 21.2-113.8 -65.9 156.7 18.7 60.1 110.7 101 104 A S H > S+ 0 0 9 2,-0.2 4,-3.0 1,-0.2 5,-0.3 0.979 114.8 47.4 -56.0 -57.5 15.6 59.2 112.8 102 105 A G H > S+ 0 0 0 -38,-0.3 4,-1.9 1,-0.2 5,-0.3 0.887 113.0 51.8 -54.6 -38.9 13.0 61.4 110.9 103 106 A D H > S+ 0 0 0 24,-0.2 4,-2.1 -39,-0.2 5,-0.2 0.968 113.9 42.5 -63.9 -44.7 14.4 60.1 107.6 104 107 A L H X S+ 0 0 2 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.944 114.3 50.0 -62.9 -47.2 14.0 56.4 108.8 105 108 A F H X S+ 0 0 5 -4,-3.0 4,-0.9 1,-0.2 -58,-0.2 0.913 116.4 41.9 -60.6 -38.9 10.5 56.9 110.4 106 109 A S H X S+ 0 0 0 -4,-1.9 4,-1.9 -5,-0.3 -1,-0.2 0.857 111.2 52.9 -79.0 -38.7 9.1 58.6 107.3 107 110 A L H X S+ 0 0 0 -4,-2.1 4,-2.9 -5,-0.3 5,-0.2 0.867 102.1 62.0 -62.8 -36.1 10.7 56.3 104.7 108 111 A G H X S+ 0 0 1 -4,-2.1 4,-2.5 -5,-0.2 -1,-0.2 0.908 105.3 47.1 -52.0 -43.0 9.1 53.3 106.7 109 112 A G H X S+ 0 0 0 -4,-0.9 4,-2.2 2,-0.2 -2,-0.2 0.902 113.1 48.7 -67.0 -40.9 5.7 54.9 105.8 110 113 A V H X S+ 0 0 0 -4,-1.9 4,-2.1 2,-0.2 11,-0.2 0.920 113.2 46.2 -62.2 -45.9 6.8 55.3 102.1 111 114 A T H X S+ 0 0 0 -4,-2.9 4,-2.9 2,-0.2 5,-0.2 0.949 111.9 52.4 -61.5 -49.9 8.1 51.7 101.9 112 115 A A H X S+ 0 0 0 -4,-2.5 4,-2.2 -5,-0.2 6,-0.2 0.941 110.2 47.3 -53.5 -49.8 4.9 50.3 103.6 113 116 A V H <>S+ 0 0 0 -4,-2.2 5,-2.6 1,-0.2 82,-0.2 0.916 116.7 42.3 -60.2 -46.4 2.5 52.2 101.1 114 117 A Q H ><5S+ 0 0 6 -4,-2.1 3,-0.9 1,-0.2 -1,-0.2 0.870 114.2 50.1 -72.4 -35.9 4.4 51.1 98.0 115 118 A E H 3<5S+ 0 0 44 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.806 103.5 61.5 -71.7 -24.5 4.9 47.5 99.2 116 119 A M T 3<5S- 0 0 16 -4,-2.2 79,-3.2 -5,-0.2 -1,-0.2 0.128 128.8 -99.0 -85.4 27.1 1.1 47.3 100.0 117 120 A Q T < 5S+ 0 0 124 -3,-0.9 -3,-0.2 77,-0.2 -2,-0.1 0.615 81.4 136.7 64.6 21.9 0.6 47.9 96.3 118 121 A G < - 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0 0 44 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.135 23.4-126.8 -71.7 147.4 -6.4 64.6 116.7 143 146 A D - 0 0 79 1,-0.1 3,-0.2 2,-0.0 7,-0.0 -0.592 7.9-152.5 -82.2 146.9 -9.3 63.2 118.6 144 147 A A S S+ 0 0 23 -2,-0.2 87,-1.5 1,-0.2 2,-1.1 0.656 82.8 75.7 -91.5 -19.1 -11.5 60.6 117.0 145 148 A D S S+ 0 0 90 85,-0.2 2,-0.2 84,-0.1 -1,-0.2 -0.233 85.3 88.5 -84.4 48.3 -14.8 61.4 118.9 146 149 A K - 0 0 69 -2,-1.1 88,-0.3 -3,-0.2 2,-0.1 -0.742 66.5-104.3-142.5-176.5 -15.5 64.5 116.8 147 150 A D > - 0 0 94 -2,-0.2 4,-2.0 86,-0.1 3,-0.3 -0.449 41.4 -86.7-110.1-177.6 -17.2 66.0 113.8 148 151 A A H > S+ 0 0 9 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.830 121.5 55.9 -56.0 -31.6 -16.4 67.4 110.4 149 152 A G H > S+ 0 0 34 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.917 107.3 49.6 -71.0 -39.3 -15.8 71.0 111.7 150 153 A Y H > S+ 0 0 57 -3,-0.3 4,-2.6 1,-0.2 5,-0.2 0.949 110.0 52.1 -60.6 -46.0 -13.2 69.7 114.1 151 154 A V H X S+ 0 0 5 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.892 110.0 47.0 -57.2 -47.3 -11.5 67.8 111.3 152 155 A R H X S+ 0 0 58 -4,-2.0 4,-1.2 1,-0.2 -1,-0.2 0.918 115.8 45.5 -58.0 -43.2 -11.3 70.9 108.9 153 156 A T H X S+ 0 0 92 -4,-1.9 4,-0.6 2,-0.2 -2,-0.2 0.838 111.8 51.2 -74.9 -37.5 -10.0 73.1 111.7 154 157 A F H >< S+ 0 0 21 -4,-2.6 3,-1.5 1,-0.2 4,-0.4 0.963 109.7 48.8 -66.3 -52.2 -7.4 70.6 112.9 155 158 A F H ><>S+ 0 0 14 -4,-2.4 5,-2.5 1,-0.3 3,-1.2 0.762 96.3 71.6 -66.1 -20.8 -5.9 69.9 109.5 156 159 A Q H ><5S+ 0 0 78 -4,-1.2 3,-1.7 3,-0.2 -1,-0.3 0.828 87.9 65.3 -58.5 -31.5 -5.6 73.7 108.8 157 160 A R T <<5S+ 0 0 36 -3,-1.5 -101,-2.7 -4,-0.6 -1,-0.2 0.761 111.0 35.0 -62.4 -21.9 -2.7 73.7 111.4 158 161 A L T < 5S- 0 0 0 -3,-1.2 -1,-0.3 -4,-0.4 -2,-0.2 0.047 121.1-117.7-111.3 18.6 -0.7 71.5 109.0 159 162 A N T < 5 + 0 0 73 -3,-1.7 2,-0.4 1,-0.2 -3,-0.2 0.793 59.2 151.9 9.1 71.9 -2.3 73.4 106.2 160 163 A M < - 0 0 8 -5,-2.5 -1,-0.2 -8,-0.1 -2,-0.1 -0.845 30.1-152.4-102.8 127.5 -4.1 70.7 104.6 161 164 A N > - 0 0 97 -2,-0.4 4,-2.2 -5,-0.0 5,-0.2 -0.241 39.9 -78.5 -89.5-167.3 -7.3 71.8 102.6 162 165 A D H > S+ 0 0 34 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.924 127.3 49.4 -65.7 -47.8 -10.4 69.6 102.0 163 166 A R H > S+ 0 0 75 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.899 113.2 48.6 -59.9 -41.1 -9.1 67.4 99.1 164 167 A E H > S+ 0 0 38 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.874 110.8 50.2 -65.3 -41.5 -5.9 66.6 101.1 165 168 A V H X S+ 0 0 1 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.949 113.8 44.6 -62.8 -46.6 -7.8 65.7 104.3 166 169 A V H X S+ 0 0 0 -4,-2.3 4,-0.8 -5,-0.2 -2,-0.2 0.939 115.7 46.8 -68.3 -44.7 -10.2 63.3 102.4 167 170 A A H >< S+ 0 0 0 -4,-2.6 3,-1.3 -5,-0.2 4,-0.4 0.974 114.3 48.4 -57.0 -47.9 -7.3 61.7 100.4 168 171 A L H >< S+ 0 0 19 -4,-2.4 3,-1.5 1,-0.3 -2,-0.2 0.893 104.8 58.8 -58.4 -38.2 -5.2 61.3 103.5 169 172 A M H >< S+ 0 0 19 -4,-2.1 3,-2.4 1,-0.3 -1,-0.3 0.756 84.5 81.2 -67.3 -20.6 -8.0 59.8 105.4 170 173 A G G X< S+ 0 0 1 -3,-1.3 3,-1.8 -4,-0.8 29,-0.4 0.745 72.4 78.0 -60.5 -19.1 -8.2 56.9 102.8 171 174 A A G X S+ 0 0 17 -3,-1.5 3,-1.8 -4,-0.4 -1,-0.3 0.633 73.0 82.0 -65.3 -9.6 -5.3 55.3 104.7 172 175 A H G < + 0 0 71 -3,-2.4 -1,-0.3 1,-0.3 16,-0.3 0.493 69.1 79.4 -79.4 1.6 -8.0 54.2 107.2 173 176 A A G < S+ 0 0 1 -3,-1.8 -1,-0.3 23,-0.1 2,-0.2 0.728 88.3 83.1 -66.0 -15.9 -8.8 51.4 104.8 174 177 A L S < S- 0 0 17 -3,-1.8 19,-0.2 -4,-0.1 18,-0.1 -0.576 94.5 -22.9-102.9 149.4 -5.7 49.8 106.4 175 178 A G S S- 0 0 3 17,-2.7 13,-0.5 -2,-0.2 2,-0.3 -0.358 79.7-103.0 60.7-135.4 -5.1 47.9 109.6 176 179 A K - 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