==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE (H2O2(A)) 17-MAR-95 4CCX . COMPND 2 MOLECULE: CYTOCHROME C PEROXIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR S.K.WILCOX,G.M.JENSEN,M.M.FITZGERALD,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) . 13001.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 188 64.6 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 . 11 3.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 44 15.1 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 . 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, 0.0 269,-0.0 0.000 360.0 360.0 360.0 136.0 12.3 78.1 113.6 2 5 A V - 0 0 107 2,-0.0 2,-0.6 269,-0.0 269,-0.1 -0.978 360.0-164.9-113.4 133.8 13.9 77.3 110.2 3 6 A H - 0 0 22 -2,-0.4 269,-2.9 267,-0.4 2,-0.4 -0.920 9.0-163.0-116.3 102.7 14.7 73.6 109.5 4 7 A V B -a 272 0A 70 -2,-0.6 2,-0.3 267,-0.2 269,-0.2 -0.731 21.4-119.5 -91.4 130.8 17.0 73.3 106.6 5 8 A A - 0 0 12 267,-2.7 2,-0.5 -2,-0.4 122,-0.2 -0.535 30.1-170.7 -67.6 128.5 17.3 69.9 104.9 6 9 A S - 0 0 72 120,-2.8 120,-0.2 -2,-0.3 3,-0.1 -0.934 20.0-128.3-125.1 111.5 20.8 68.5 105.0 7 10 A V - 0 0 53 -2,-0.5 3,-0.1 118,-0.1 2,-0.1 -0.263 34.5-102.5 -55.0 132.1 21.8 65.3 103.1 8 11 A E > - 0 0 19 1,-0.2 3,-2.2 2,-0.1 -1,-0.1 -0.360 60.5 -85.7 -54.0 127.5 23.5 62.6 105.1 9 12 A K T 3 S- 0 0 197 1,-0.3 -1,-0.2 89,-0.1 3,-0.1 -0.219 102.7 -5.6 -63.0 119.6 27.0 63.0 104.1 10 13 A G T 3 S+ 0 0 75 1,-0.2 2,-0.3 -3,-0.1 -1,-0.3 0.479 96.2 135.6 86.5 7.0 28.1 61.2 101.0 11 14 A R < - 0 0 88 -3,-2.2 -1,-0.2 87,-0.1 2,-0.2 -0.616 27.9-179.7 -92.1 136.9 24.8 59.4 100.5 12 15 A S >> - 0 0 52 -2,-0.3 4,-1.5 -3,-0.1 3,-0.8 -0.691 48.5 -78.6-117.6-175.7 23.1 59.1 97.1 13 16 A Y H 3> S+ 0 0 60 1,-0.2 4,-2.6 -2,-0.2 3,-0.3 0.905 125.2 58.7 -45.3 -51.8 19.9 57.5 95.8 14 17 A E H 3> S+ 0 0 117 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.840 103.3 52.4 -54.9 -34.3 21.5 54.0 95.7 15 18 A D H <> S+ 0 0 28 -3,-0.8 4,-1.2 2,-0.2 -1,-0.2 0.928 111.6 45.2 -67.9 -42.2 22.1 54.2 99.5 16 19 A F H X S+ 0 0 0 -4,-1.5 4,-2.4 -3,-0.3 -2,-0.2 0.898 106.7 58.9 -70.2 -36.9 18.5 55.1 100.3 17 20 A Q H X S+ 0 0 12 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.865 103.3 54.7 -58.8 -33.7 17.2 52.4 97.9 18 21 A K H X S+ 0 0 99 -4,-1.4 4,-2.3 -5,-0.2 -1,-0.2 0.884 107.6 48.1 -66.0 -39.5 19.2 49.8 100.1 19 22 A V H X S+ 0 0 0 -4,-1.2 4,-2.3 2,-0.2 -2,-0.2 0.951 111.9 49.8 -65.7 -44.3 17.4 51.1 103.3 20 23 A Y H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 -2,-0.2 0.924 110.4 51.5 -53.1 -52.0 14.0 50.8 101.4 21 24 A N H X S+ 0 0 25 -4,-2.4 4,-2.6 1,-0.2 5,-0.3 0.928 107.7 51.5 -57.6 -42.6 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 0.912 112.8 44.7 -59.4 -47.1 15.8 46.3 104.0 23 26 A I H X S+ 0 0 0 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.959 115.4 48.4 -61.5 -48.1 12.3 47.6 105.3 24 27 A A H X S+ 0 0 1 -4,-2.8 4,-1.9 2,-0.2 -2,-0.2 0.927 111.3 48.6 -60.3 -45.8 10.4 45.9 102.3 25 28 A L H X S+ 0 0 69 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.912 112.6 48.7 -62.2 -43.4 12.2 42.5 102.8 26 29 A K H X S+ 0 0 42 -4,-1.9 4,-2.7 -5,-0.3 -1,-0.2 0.855 107.2 55.8 -68.4 -27.8 11.5 42.6 106.5 27 30 A L H < S+ 0 0 25 -4,-2.0 12,-0.2 2,-0.2 -2,-0.2 0.884 108.9 48.9 -65.6 -38.9 7.8 43.4 105.8 28 31 A R H >< S+ 0 0 132 -4,-1.9 3,-0.6 -5,-0.2 -2,-0.2 0.924 114.5 45.2 -60.9 -46.1 7.7 40.3 103.7 29 32 A E H 3< S+ 0 0 132 -4,-2.2 2,-0.9 1,-0.2 3,-0.3 0.940 107.9 52.7 -69.1 -48.2 9.2 38.2 106.4 30 33 A D T >< + 0 0 32 -4,-2.7 3,-1.1 1,-0.2 -1,-0.2 -0.118 68.7 140.1 -86.8 48.4 7.2 39.3 109.5 31 34 A D T < + 0 0 83 -2,-0.9 -1,-0.2 -3,-0.6 -2,-0.1 0.658 54.8 67.8 -64.9 -17.5 3.9 38.7 107.8 32 35 A E T 3> + 0 0 95 -3,-0.3 4,-1.9 4,-0.1 3,-0.3 0.669 67.4 124.8 -84.1 -16.1 2.1 37.2 110.9 33 36 A Y H <>>S+ 0 0 42 -3,-1.1 5,-2.3 2,-0.2 4,-1.2 -0.123 80.6 4.2 -48.9 137.5 1.9 40.4 113.0 34 37 A D H >45S- 0 0 41 1,-0.2 3,-1.0 2,-0.2 -1,-0.2 0.945 141.3 -44.0 48.5 61.1 -1.6 41.4 114.2 35 38 A N H 345S- 0 0 147 -3,-0.3 -1,-0.2 1,-0.2 -2,-0.2 0.861 113.7 -50.8 52.8 43.7 -3.4 38.3 112.8 36 39 A Y H 3<5S+ 0 0 153 -4,-1.9 -1,-0.2 -6,-0.1 -2,-0.2 0.685 108.3 116.3 68.6 22.2 -1.6 38.4 109.4 37 40 A I T <<5 - 0 0 16 -4,-1.2 3,-0.3 -3,-1.0 -3,-0.2 0.887 66.7-149.0 -75.5 -38.4 -2.2 42.0 108.6 38 41 A G < - 0 0 8 -5,-2.3 4,-0.4 1,-0.2 -7,-0.1 -0.338 29.2 -70.6 91.1 175.9 1.6 42.5 108.7 39 42 A Y S > S+ 0 0 39 -12,-0.2 4,-1.9 -9,-0.2 5,-0.2 0.548 103.2 97.3 -86.1 -3.9 3.5 45.7 109.8 40 43 A G H > S+ 0 0 5 -3,-0.3 4,-2.0 1,-0.2 3,-0.3 0.958 86.0 44.6 -49.3 -58.9 2.6 47.8 106.7 41 44 A P H > S+ 0 0 15 0, 0.0 4,-2.4 0, 0.0 3,-0.3 0.922 111.8 49.6 -56.5 -47.8 -0.4 49.7 108.4 42 45 A V H > S+ 0 0 18 -4,-0.4 4,-2.1 1,-0.2 -2,-0.2 0.864 110.4 55.1 -67.1 -24.7 1.3 50.5 111.8 43 46 A L H X S+ 0 0 1 -4,-1.9 4,-2.0 -3,-0.3 -1,-0.2 0.875 108.2 45.0 -72.7 -39.7 4.3 51.9 109.7 44 47 A V H X S+ 0 0 9 -4,-2.0 4,-2.0 -3,-0.3 -2,-0.2 0.929 112.8 52.4 -75.0 -29.5 2.2 54.3 107.7 45 48 A R H X S+ 0 0 73 -4,-2.4 4,-2.7 -5,-0.2 -2,-0.2 0.909 108.6 52.1 -62.2 -38.7 0.4 55.3 111.0 46 49 A L H X S+ 0 0 0 -4,-2.1 4,-1.9 -5,-0.2 5,-0.3 0.963 108.6 48.9 -63.6 -45.3 3.9 55.9 112.5 47 50 A A H X S+ 0 0 0 -4,-2.0 4,-0.8 1,-0.2 -1,-0.2 0.873 113.6 47.4 -62.8 -36.9 5.0 58.2 109.6 48 51 A W H X S+ 0 0 50 -4,-2.0 4,-2.5 1,-0.2 3,-0.4 0.949 111.6 50.1 -68.7 -48.9 1.6 60.2 109.9 49 52 A H H < S+ 0 0 14 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.777 109.9 48.2 -63.7 -30.5 1.9 60.6 113.8 50 53 A I H < S+ 0 0 6 -4,-1.9 -1,-0.2 -5,-0.2 12,-0.2 0.734 119.9 41.6 -76.8 -23.3 5.6 61.9 113.7 51 54 A S H >< S+ 0 0 0 -4,-0.8 3,-1.3 -3,-0.4 -2,-0.2 0.781 102.6 67.5 -86.0 -30.6 4.5 64.4 111.0 52 55 A G T 3< S+ 0 0 0 -4,-2.5 -1,-0.1 1,-0.3 -3,-0.1 0.393 81.7 75.7 -77.2 -1.5 1.1 65.4 112.5 53 56 A T T 3 S+ 0 0 7 -3,-0.2 -1,-0.3 -5,-0.2 -2,-0.1 0.401 71.2 122.2 -83.3 -1.5 2.6 67.2 115.4 54 57 A W < - 0 0 19 -3,-1.3 2,-0.5 7,-0.2 7,-0.2 -0.376 47.9-158.3 -70.6 140.8 3.6 70.1 113.2 55 58 A D B >>> -B 60 0B 30 5,-2.5 4,-1.6 1,-0.1 3,-0.9 -0.894 6.8-159.6-115.7 110.4 2.3 73.6 113.9 56 59 A K T 345S+ 0 0 78 101,-2.5 -1,-0.1 -2,-0.5 102,-0.1 0.702 86.7 66.1 -55.3 -22.3 2.4 76.0 110.9 57 60 A H T 345S+ 0 0 131 100,-0.2 -1,-0.2 1,-0.2 -3,-0.0 0.909 122.6 8.4 -73.1 -41.8 2.3 79.0 113.2 58 61 A D T <45S- 0 0 76 -3,-0.9 -2,-0.2 2,-0.1 -1,-0.2 0.302 97.5-117.6-119.7 7.6 5.7 78.6 114.9 59 62 A N T <5 + 0 0 27 -4,-1.6 2,-0.2 1,-0.2 -3,-0.2 0.783 65.5 141.8 60.1 25.2 7.3 75.8 112.8 60 63 A T B < +B 55 0B 33 -5,-0.7 -5,-2.5 -7,-0.0 -1,-0.2 -0.611 48.1 13.5 -90.5 163.6 7.6 73.4 115.7 61 64 A G S S+ 0 0 15 73,-0.4 -7,-0.2 -7,-0.2 3,-0.2 -0.231 72.3 115.0 67.7-160.3 6.9 69.6 115.6 62 65 A G S S- 0 0 5 -12,-0.2 3,-0.4 1,-0.2 5,-0.3 -0.162 82.1 -60.6 86.4 178.6 6.7 67.7 112.3 63 66 A S S > S+ 0 0 1 206,-0.3 3,-1.1 203,-0.3 -1,-0.2 0.725 106.8 86.6 -74.5 -21.5 9.0 65.0 110.9 64 67 A Y T 3 S+ 0 0 22 205,-0.4 38,-0.3 -3,-0.2 -1,-0.2 0.863 88.2 44.4 -46.0 -51.3 12.3 66.9 110.7 65 68 A G T 3 S- 0 0 7 -3,-0.4 65,-1.8 -4,-0.2 -1,-0.2 0.551 89.4-135.3 -81.1 -14.3 13.7 66.3 114.2 66 69 A G X + 0 0 3 -3,-1.1 3,-1.5 -4,-0.3 4,-0.1 0.808 47.5 155.7 62.0 30.1 13.0 62.6 114.7 67 70 A T G > + 0 0 7 -5,-0.3 3,-1.7 1,-0.3 6,-0.4 0.588 48.4 85.8 -74.1 -8.8 11.8 63.5 118.2 68 71 A Y G 3 S+ 0 0 1 1,-0.3 -1,-0.3 5,-0.1 6,-0.2 0.822 78.2 72.7 -54.1 -28.3 9.5 60.4 118.6 69 72 A R G < S+ 0 0 73 -3,-1.5 2,-0.3 4,-0.1 -1,-0.3 0.696 83.9 85.4 -60.4 -21.7 12.8 58.7 119.8 70 73 A F S <> S- 0 0 28 -3,-1.7 4,-2.6 -4,-0.1 3,-0.4 -0.639 88.1-118.4 -88.0 148.7 12.4 60.8 123.1 71 74 A K H > S+ 0 0 136 -2,-0.3 4,-2.8 1,-0.2 5,-0.1 0.837 106.6 57.1 -52.7 -49.1 10.4 59.6 126.0 72 75 A K H 4 S+ 0 0 85 1,-0.2 -1,-0.2 2,-0.2 -4,-0.1 0.915 117.7 34.0 -48.5 -50.4 7.8 62.5 126.2 73 76 A E H >4 S+ 0 0 6 -3,-0.4 3,-1.3 -6,-0.4 -1,-0.2 0.882 116.2 54.7 -72.3 -45.9 6.7 61.9 122.6 74 77 A F H 3< S+ 0 0 42 -4,-2.6 -2,-0.2 -7,-0.3 -1,-0.2 0.878 111.8 46.1 -57.7 -39.3 7.1 58.1 122.6 75 78 A N T 3< S+ 0 0 100 -4,-2.8 -1,-0.3 -5,-0.3 -2,-0.2 0.312 78.7 131.6 -91.0 9.1 4.9 57.9 125.7 76 79 A D X - 0 0 11 -3,-1.3 3,-2.8 1,-0.1 4,-0.2 -0.470 63.0-130.0 -57.4 123.9 2.1 60.3 124.4 77 80 A P G > S+ 0 0 104 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 0.883 108.7 59.3 -43.2 -42.0 -1.4 58.5 124.9 78 81 A S G 3 S+ 0 0 43 1,-0.3 -2,-0.1 63,-0.1 -3,-0.0 0.621 101.0 55.5 -62.7 -17.1 -2.2 59.3 121.2 79 82 A N G X S+ 0 0 1 -3,-2.8 3,-2.2 -6,-0.1 4,-0.4 0.318 74.2 140.9 -98.9 6.6 0.8 57.2 120.2 80 83 A A T < S+ 0 0 27 -3,-1.9 101,-0.1 1,-0.3 -5,-0.1 -0.252 71.4 21.1 -53.1 125.1 -0.2 54.0 122.0 81 84 A G T > S+ 0 0 8 99,-0.1 3,-1.0 100,-0.1 4,-0.4 0.176 92.8 101.1 99.6 -17.5 0.6 51.0 119.9 82 85 A L T X> + 0 0 0 -3,-2.2 4,-2.3 1,-0.2 3,-1.0 0.770 61.0 82.6 -73.2 -17.3 3.3 52.7 117.7 83 86 A Q H 3> S+ 0 0 44 -4,-0.4 4,-2.7 1,-0.3 -1,-0.2 0.805 84.9 61.0 -52.9 -30.9 6.0 51.1 119.8 84 87 A N H <> S+ 0 0 50 -3,-1.0 4,-1.8 2,-0.2 -1,-0.3 0.897 105.3 45.0 -61.8 -44.6 5.5 48.0 117.5 85 88 A G H <> S+ 0 0 0 -3,-1.0 4,-1.7 -4,-0.4 -2,-0.2 0.911 112.7 52.4 -70.3 -38.0 6.5 50.1 114.4 86 89 A F H X S+ 0 0 50 -4,-2.3 4,-1.7 1,-0.2 -2,-0.2 0.938 109.4 48.3 -59.4 -48.4 9.5 51.5 116.4 87 90 A K H < S+ 0 0 113 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.842 108.1 56.1 -64.7 -32.7 10.7 48.0 117.3 88 91 A F H < S+ 0 0 4 -4,-1.8 4,-0.4 1,-0.2 -1,-0.2 0.916 111.9 41.7 -59.5 -46.4 10.3 46.8 113.7 89 92 A L H >X S+ 0 0 1 -4,-1.7 4,-1.8 1,-0.2 3,-0.7 0.750 93.5 83.4 -77.7 -26.1 12.6 49.6 112.4 90 93 A E H >X S+ 0 0 80 -4,-1.7 4,-2.1 1,-0.2 3,-0.5 0.904 90.2 47.8 -47.1 -54.7 15.2 49.4 115.2 91 94 A P H 3> S+ 0 0 66 0, 0.0 4,-1.2 0, 0.0 -1,-0.2 0.802 111.8 54.2 -57.0 -28.0 17.3 46.4 113.6 92 95 A I H <> S+ 0 0 6 -3,-0.7 4,-1.5 -4,-0.4 -2,-0.2 0.858 105.5 50.9 -75.1 -33.6 17.2 48.4 110.3 93 96 A H H << S+ 0 0 46 -4,-1.8 6,-0.2 -3,-0.5 -1,-0.2 0.887 106.8 53.8 -73.4 -35.8 18.6 51.4 112.0 94 97 A K H < S+ 0 0 143 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.856 110.5 49.8 -62.1 -30.6 21.5 49.3 113.5 95 98 A E H < S+ 0 0 126 -4,-1.2 -1,-0.2 1,-0.3 -2,-0.2 0.800 122.6 29.0 -76.5 -34.3 22.2 48.2 109.9 96 99 A F S >< S+ 0 0 18 -4,-1.5 3,-1.6 1,-0.1 -1,-0.3 -0.582 72.1 166.7-122.6 70.9 22.2 51.6 108.4 97 100 A P T 3 + 0 0 98 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.665 67.2 69.7 -65.9 -15.8 23.5 53.8 111.3 98 101 A W T 3 S+ 0 0 56 -3,-0.1 2,-0.2 2,-0.1 -89,-0.1 0.695 77.1 94.8 -73.3 -22.9 24.1 56.9 109.1 99 102 A I S < S- 0 0 5 -3,-1.6 -3,-0.1 -6,-0.2 2,-0.0 -0.514 79.1-119.2 -73.6 136.3 20.4 57.6 108.3 100 103 A S > - 0 0 15 -2,-0.2 4,-2.3 27,-0.2 5,-0.2 -0.367 20.4-118.0 -66.5 157.4 18.6 60.2 110.5 101 104 A S H > S+ 0 0 8 2,-0.2 4,-3.0 1,-0.2 5,-0.3 0.971 114.0 51.3 -59.8 -50.4 15.6 59.1 112.6 102 105 A G H > S+ 0 0 0 -38,-0.3 4,-1.9 1,-0.2 5,-0.2 0.873 111.4 48.8 -55.1 -42.1 13.1 61.4 110.8 103 106 A D H > S+ 0 0 0 24,-0.2 4,-2.5 -39,-0.2 -1,-0.2 0.937 113.7 46.5 -63.8 -42.3 14.3 60.1 107.4 104 107 A L H X S+ 0 0 2 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.949 113.4 47.3 -64.0 -49.1 13.9 56.4 108.6 105 108 A F H X S+ 0 0 6 -4,-3.0 4,-1.4 1,-0.2 -58,-0.2 0.948 117.4 43.5 -57.4 -42.7 10.4 56.9 110.2 106 109 A S H X S+ 0 0 0 -4,-1.9 4,-1.8 -5,-0.3 -1,-0.2 0.917 111.8 51.7 -74.4 -37.9 9.2 58.7 107.1 107 110 A L H X S+ 0 0 0 -4,-2.5 4,-2.9 -5,-0.2 5,-0.2 0.881 102.8 61.3 -65.9 -34.4 10.8 56.3 104.7 108 111 A G H X S+ 0 0 1 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.940 105.1 48.3 -52.7 -45.9 9.1 53.4 106.5 109 112 A G H X S+ 0 0 0 -4,-1.4 4,-2.3 -66,-0.2 -1,-0.2 0.926 112.7 47.5 -61.4 -45.7 5.7 55.0 105.7 110 113 A V H X S+ 0 0 0 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.910 112.9 48.5 -59.9 -41.9 6.7 55.4 102.0 111 114 A T H X S+ 0 0 0 -4,-2.9 4,-2.6 2,-0.2 5,-0.3 0.967 110.8 50.9 -67.0 -46.5 8.0 51.8 101.8 112 115 A A H X S+ 0 0 0 -4,-2.7 4,-2.1 1,-0.2 6,-0.2 0.918 110.4 48.1 -56.8 -50.5 4.8 50.4 103.4 113 116 A V H <>S+ 0 0 0 -4,-2.3 5,-2.4 1,-0.2 -1,-0.2 0.914 115.5 44.3 -59.8 -42.7 2.4 52.2 101.0 114 117 A Q H ><5S+ 0 0 7 -4,-2.1 3,-0.9 1,-0.2 -1,-0.2 0.858 113.0 49.3 -74.8 -34.5 4.4 51.1 97.9 115 118 A E H 3<5S+ 0 0 41 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.805 104.5 60.7 -73.4 -26.3 4.9 47.5 98.9 116 119 A M T 3<5S- 0 0 15 -4,-2.1 79,-2.8 -5,-0.3 -1,-0.2 0.211 129.2 -98.3 -81.7 24.1 1.1 47.3 99.8 117 120 A Q T < 5S+ 0 0 125 -3,-0.9 -3,-0.2 77,-0.2 -2,-0.1 0.702 79.7 142.6 65.6 24.9 0.4 48.1 96.0 118 121 A G < - 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0 0 10 -5,-2.4 -1,-0.2 -8,-0.1 -2,-0.1 -0.814 33.6-146.9-103.3 126.8 -4.2 70.7 104.5 161 164 A N > - 0 0 93 -2,-0.4 4,-2.4 -5,-0.0 5,-0.2 -0.325 38.7 -83.2 -85.4-177.1 -7.4 71.8 102.5 162 165 A D H > S+ 0 0 33 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.899 127.8 48.6 -58.1 -45.4 -10.6 69.6 102.1 163 166 A R H > S+ 0 0 71 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.932 112.9 48.8 -60.8 -44.3 -9.3 67.5 99.2 164 167 A E H > S+ 0 0 40 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.892 111.1 49.7 -62.1 -44.4 -6.0 66.8 101.0 165 168 A V H X S+ 0 0 1 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.938 113.0 46.1 -62.0 -45.3 -7.8 65.8 104.2 166 169 A V H X S+ 0 0 0 -4,-2.3 4,-0.8 -5,-0.2 -2,-0.2 0.914 114.5 48.1 -69.1 -39.6 -10.2 63.4 102.4 167 170 A A H >< S+ 0 0 0 -4,-2.7 3,-1.4 -5,-0.2 4,-0.3 0.982 112.7 48.7 -62.9 -49.7 -7.3 61.8 100.4 168 171 A L H >< S+ 0 0 18 -4,-2.6 3,-1.8 1,-0.3 -2,-0.2 0.888 105.2 57.5 -53.1 -45.2 -5.2 61.4 103.5 169 172 A M H >< S+ 0 0 20 -4,-2.3 3,-2.2 1,-0.3 -1,-0.3 0.723 86.1 80.4 -62.8 -22.5 -8.0 59.7 105.5 170 173 A G G X< S+ 0 0 1 -3,-1.4 3,-1.7 -4,-0.8 29,-0.3 0.687 72.3 80.1 -59.4 -14.6 -8.3 57.1 102.7 171 174 A A G X S+ 0 0 19 -3,-1.8 3,-1.6 -4,-0.3 -1,-0.3 0.633 70.2 82.7 -68.4 -11.9 -5.3 55.4 104.5 172 175 A H G < + 0 0 49 -3,-2.2 16,-0.3 1,-0.3 -1,-0.3 0.514 66.7 82.0 -74.0 -1.5 -7.9 54.0 106.9 173 176 A A G < S+ 0 0 1 -3,-1.7 2,-0.3 23,-0.1 -1,-0.3 0.838 87.4 78.2 -58.0 -26.8 -8.5 51.3 104.3 174 177 A L S < S- 0 0 8 -3,-1.6 19,-0.2 -4,-0.2 18,-0.1 -0.561 98.9 -24.9 -91.4 140.2 -5.3 49.8 106.1 175 178 A G S S- 0 0 3 17,-2.8 13,-0.7 -2,-0.3 14,-0.3 -0.246 74.6-104.8 66.8-147.7 -5.1 48.0 109.4 176 179 A K E -D 187 0D 48 11,-0.2 2,-0.3 12,-0.1 -3,-0.0 -0.980 24.2 -84.4-165.1 171.2 -7.6 48.5 112.2 177 180 A T E -D 186 0D 9 9,-2.8 9,-1.5 -2,-0.3 2,-0.5 -0.656 35.3-151.0 -86.6 151.5 -8.4 50.0 115.5 178 181 A H >>> - 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0 0 30 -2,-0.8 3,-0.5 -26,-0.2 -23,-0.1 -0.911 69.4 -95.7-140.5-178.7 -7.2 50.6 97.5 197 200 A N T >> S+ 0 0 17 -2,-0.3 4,-1.5 1,-0.2 3,-0.8 0.218 81.8 120.6 -86.8 26.2 -10.1 53.1 97.6 198 201 A E H 3> + 0 0 27 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.796 60.0 65.4 -62.4 -36.4 -12.1 50.6 99.8 199 202 A F H <> S+ 0 0 1 -3,-0.5 4,-2.1 -29,-0.3 -1,-0.2 0.907 105.9 44.2 -53.2 -41.3 -12.5 53.1 102.7 200 203 A Y H <> S+ 0 0 0 -3,-0.8 4,-2.3 2,-0.2 5,-0.2 0.939 111.5 51.8 -72.3 -47.0 -14.7 55.4 100.5 201 204 A L H X S+ 0 0 60 -4,-1.5 4,-3.1 1,-0.2 5,-0.3 0.945 112.6 46.5 -58.0 -43.8 -16.8 52.5 99.0 202 205 A N H X S+ 0 0 15 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.930 109.0 54.0 -65.7 -42.8 -17.6 51.2 102.5 203 206 A L H < S+ 0 0 2 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.925 119.6 34.3 -56.4 -42.1 -18.4 54.6 103.8 204 207 A L H < S+ 0 0 58 -4,-2.3 -2,-0.2 -5,-0.1 -1,-0.2 0.861 125.2 40.0 -81.6 -33.5 -21.0 55.1 101.0 205 208 A N H < S+ 0 0 115 -4,-3.1 -3,-0.2 -5,-0.2 -2,-0.2 0.671 93.5 84.0 -98.6 -16.9 -22.2 51.4 100.6 206 209 A E S < S- 0 0 49 -4,-2.2 2,-1.1 -5,-0.3 16,-0.0 -0.474 76.3-120.5 -86.7 159.8 -22.6 49.9 104.1 207 210 A D - 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0 0 54 -34,-0.3 -4,-2.6 -4,-0.0 2,-0.4 -0.747 59.8-114.8 -99.5 153.0 -17.0 55.0 123.2 218 221 A E E +E 212 0E 96 -2,-0.3 2,-0.3 -6,-0.2 -6,-0.2 -0.688 39.9 162.0 -87.8 141.9 -19.3 55.4 120.3 219 222 A Q E -E 211 0E 5 -8,-2.5 -8,-2.9 -2,-0.4 2,-0.6 -0.985 39.9-111.2-148.8 158.6 -18.6 54.0 116.9 220 223 A W E -EF 210 228E 45 8,-2.5 8,-1.9 -2,-0.3 2,-0.3 -0.816 36.3-170.2 -92.0 121.0 -20.4 53.3 113.7 221 224 A D E -EF 209 227E 30 -12,-2.8 -12,-2.7 -2,-0.6 2,-0.3 -0.863 6.6-151.2-112.5 139.8 -20.6 49.5 113.0 222 225 A S E > -E 208 0E 13 4,-2.5 3,-1.7 -2,-0.3 -14,-0.2 -0.762 29.5-113.7-107.3 164.3 -21.8 47.7 109.9 223 226 A K T 3 S+ 0 0 180 -16,-0.6 -1,-0.1 -2,-0.3 -15,-0.1 0.916 114.0 65.2 -54.3 -40.7 -23.5 44.3 109.3 224 227 A S T 3 S- 0 0 62 1,-0.1 -1,-0.3 -17,-0.1 -18,-0.0 0.511 121.2-103.2 -59.1 -8.8 -20.3 43.2 107.4 225 228 A G S < S+ 0 0 54 -3,-1.7 2,-0.2 1,-0.3 -2,-0.1 0.631 81.3 124.4 91.8 12.8 -18.2 43.4 110.6 226 229 A Y - 0 0 42 -40,-0.1 -4,-2.5 -38,-0.1 -1,-0.3 -0.665 41.9-152.9-100.3 161.0 -16.5 46.8 109.7 227 230 A M E -F 221 0E 1 -40,-2.7 2,-0.3 -6,-0.2 -6,-0.2 -0.856 9.2-157.5-132.0 166.2 -16.3 50.1 111.7 228 231 A M E -F 220 0E 0 -8,-1.9 -8,-2.5 -2,-0.3 -40,-0.0 -0.988 20.8-129.7-140.4 130.6 -16.0 53.9 111.3 229 232 A L >> - 0 0 14 -2,-0.3 4,-2.4 -10,-0.2 3,-0.7 -0.506 34.0-108.3 -64.8 151.5 -14.8 56.4 113.9 230 233 A P H 3> S+ 0 0 24 0, 0.0 4,-2.4 0, 0.0 -85,-0.2 0.931 123.6 55.6 -47.7 -40.9 -17.1 59.5 114.4 231 234 A T H 3> S+ 0 0 15 -87,-1.5 4,-0.5 1,-0.2 -86,-0.1 0.851 109.0 45.1 -64.3 -31.4 -14.3 61.5 112.5 232 235 A D H X4 S+ 0 0 0 -3,-0.7 3,-1.1 -88,-0.2 -1,-0.2 0.910 110.1 52.8 -73.0 -45.5 -14.5 59.1 109.5 233 236 A Y H >X S+ 0 0 45 -4,-2.4 3,-2.4 1,-0.2 4,-0.8 0.879 95.5 73.6 -61.8 -33.6 -18.3 59.2 109.5 234 237 A S H >X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.3 3,-1.1 0.841 81.0 72.3 -37.6 -42.1 -18.0 63.0 109.4 235 238 A L H << S+ 0 0 0 -3,-1.1 10,-0.3 -4,-0.5 -1,-0.3 0.625 102.3 38.8 -63.5 -16.3 -16.8 62.8 105.8 236 239 A I H <4 S+ 0 0 38 -3,-2.4 -1,-0.3 -4,-0.2 -2,-0.2 0.509 112.1 58.4-106.4 -7.5 -20.4 61.9 104.6 237 240 A Q H << S+ 0 0 112 -3,-1.1 -2,-0.2 -4,-0.8 -3,-0.1 0.758 95.0 70.9 -82.9 -33.6 -22.1 64.3 107.0 238 241 A D S X S- 0 0 26 -4,-2.2 4,-2.6 1,-0.1 -1,-0.0 -0.781 77.8-144.4 -83.8 126.8 -20.3 67.4 105.6 239 242 A P H > S+ 0 0 101 0, 0.0 4,-1.3 0, 0.0 -1,-0.1 0.828 98.3 48.8 -62.5 -37.4 -21.5 68.4 102.0 240 243 A K H > S+ 0 0 118 2,-0.2 4,-1.1 1,-0.1 3,-0.3 0.953 114.8 44.7 -67.2 -46.0 -18.0 69.5 100.8 241 244 A Y H >> S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 3,-0.7 0.962 107.8 60.2 -61.6 -44.3 -16.3 66.3 102.1 242 245 A L H 3X S+ 0 0 45 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.841 98.7 54.7 -57.1 -37.4 -19.0 64.1 100.7 243 246 A S H 3X S+ 0 0 72 -4,-1.3 4,-1.4 -3,-0.3 -1,-0.2 0.917 111.1 46.1 -66.3 -34.3 -18.6 65.1 97.1 244 247 A I H S+ 0 0 65 -2,-0.2 4,-2.8 -3,-0.2 5,-0.2 0.839 84.6 58.5 -59.1 -34.8 -9.2 54.9 92.5 253 256 A D H > S+ 0 0 102 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.979 106.4 47.4 -61.9 -49.3 -6.6 56.4 90.1 254 257 A K H > S+ 0 0 62 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.923 112.0 52.0 -55.0 -44.1 -7.6 60.0 91.1 255 258 A F H X S+ 0 0 0 -4,-2.2 4,-2.6 -7,-0.2 5,-0.2 0.941 109.4 49.8 -57.2 -46.8 -7.5 58.8 94.7 256 259 A F H X S+ 0 0 22 -4,-2.8 4,-2.2 2,-0.2 -2,-0.2 0.927 111.6 47.5 -59.4 -44.4 -3.9 57.4 94.2 257 260 A K H X S+ 0 0 105 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.959 116.0 43.5 -65.5 -44.0 -2.7 60.6 92.6 258 261 A D H X S+ 0 0 11 -4,-2.6 4,-2.6 -5,-0.2 -1,-0.2 0.876 112.9 51.3 -71.0 -32.9 -4.1 62.9 95.3 259 262 A F H X S+ 0 0 2 -4,-2.6 4,-2.7 -5,-0.3 5,-0.3 0.912 108.7 53.4 -65.6 -40.9 -3.0 60.6 98.2 260 263 A S H X S+ 0 0 18 -4,-2.2 4,-2.2 -5,-0.2 5,-0.2 0.974 112.4 42.9 -57.4 -55.0 0.5 60.7 96.7 261 264 A K H X S+ 0 0 126 -4,-2.2 4,-2.4 1,-0.2 5,-0.2 0.952 117.5 46.2 -57.2 -51.2 0.6 64.6 96.6 262 265 A A H X S+ 0 0 1 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.851 111.8 49.6 -62.6 -36.5 -1.0 64.9 100.1 263 266 A F H X S+ 0 0 4 -4,-2.7 4,-2.0 2,-0.2 -1,-0.2 0.920 111.0 48.9 -72.6 -42.2 1.2 62.3 101.8 264 267 A E H X S+ 0 0 44 -4,-2.2 4,-1.8 -5,-0.3 5,-0.2 0.967 112.5 49.9 -58.0 -48.0 4.5 63.8 100.4 265 268 A K H X S+ 0 0 59 -4,-2.4 4,-1.3 -5,-0.2 3,-0.3 0.938 109.9 50.9 -56.8 -45.5 3.3 67.3 101.6 266 269 A L H < S+ 0 0 2 -4,-2.3 -203,-0.3 1,-0.2 3,-0.3 0.895 111.6 46.5 -57.8 -42.0 2.5 65.9 105.1 267 270 A L H < S+ 0 0 3 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.712 116.2 46.1 -76.0 -23.2 6.0 64.3 105.4 268 271 A E H >< S+ 0 0 35 -4,-1.8 3,-1.8 -3,-0.3 -1,-0.2 0.509 79.2 127.1 -96.1 -6.4 7.7 67.5 104.2 269 272 A N T 3< S+ 0 0 18 -4,-1.3 -205,-0.4 -3,-0.3 -206,-0.3 -0.240 75.7 19.6 -54.5 132.7 5.8 70.1 106.3 270 273 A G T 3 S+ 0 0 13 1,-0.2 2,-0.5 -208,-0.1 -267,-0.4 0.395 100.0 112.4 92.2 -1.0 8.2 72.4 108.2 271 274 A I < - 0 0 19 -3,-1.8 2,-0.5 -269,-0.1 -1,-0.2 -0.879 52.5-152.8-114.6 127.8 11.2 71.7 106.1 272 275 A T B -a 4 0A 74 -269,-2.9 -267,-2.7 -2,-0.5 -3,-0.0 -0.806 11.9-157.1 -92.4 125.7 13.1 74.1 103.8 273 276 A F - 0 0 42 -2,-0.5 2,-0.1 -269,-0.2 -267,-0.1 -0.894 15.6-131.4-100.6 124.3 14.9 72.3 100.9 274 277 A P > - 0 0 39 0, 0.0 3,-1.9 0, 0.0 -270,-0.0 -0.428 24.4-110.9 -67.6 154.9 17.9 74.3 99.4 275 278 A K T 3 S+ 0 0 195 1,-0.3 -2,-0.0 -2,-0.1 0, 0.0 0.768 118.2 56.7 -54.1 -31.8 18.1 74.7 95.5 276 279 A D T 3 S+ 0 0 143 2,-0.0 -1,-0.3 3,-0.0 3,-0.1 0.622 82.0 111.5 -76.0 -15.6 21.1 72.4 95.5 277 280 A A S < S- 0 0 21 -3,-1.9 -4,-0.0 1,-0.1 -151,-0.0 -0.217 80.7 -93.4 -56.8 144.7 19.3 69.6 97.3 278 281 A P - 0 0 54 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.260 43.7-103.3 -56.2 147.5 18.7 66.4 95.2 279 282 A S - 0 0 95 1,-0.1 -156,-0.1 -3,-0.1 -3,-0.0 -0.291 59.3 -69.5 -56.1 158.5 15.3 66.1 93.4 280 283 A P - 0 0 51 0, 0.0 2,-0.3 0, 0.0 -156,-0.2 -0.259 52.9-126.3 -53.3 134.9 12.7 63.7 95.1 281 284 A F B -C 123 0C 29 -158,-3.3 -158,-2.6 -3,-0.1 2,-0.7 -0.699 12.4-154.5 -80.9 137.1 13.7 60.0 94.9 282 285 A I - 0 0 78 -2,-0.3 2,-0.2 -160,-0.2 -162,-0.0 -0.917 21.9-146.1-106.5 103.7 11.2 57.5 93.4 283 286 A F - 0 0 0 -2,-0.7 2,-0.2 -162,-0.4 -162,-0.1 -0.466 7.5-125.9 -74.2 138.4 12.1 54.1 95.0 284 287 A K - 0 0 105 -2,-0.2 2,-0.1 1,-0.1 -1,-0.1 -0.547 25.9-121.7 -72.0 145.2 11.7 50.9 93.1 285 288 A T > - 0 0 19 -2,-0.2 4,-1.5 1,-0.1 5,-0.2 -0.478 26.8-104.9 -78.3 167.9 9.6 48.1 94.7 286 289 A L H >>>S+ 0 0 1 1,-0.2 5,-2.3 2,-0.2 4,-0.8 0.969 124.2 53.0 -56.6 -40.0 11.1 44.6 95.5 287 290 A E H >45S+ 0 0 154 1,-0.3 3,-0.9 2,-0.2 -1,-0.2 0.875 104.3 52.2 -63.1 -43.8 9.1 43.4 92.6 288 291 A E H 345S+ 0 0 105 1,-0.2 -1,-0.3 2,-0.1 -2,-0.2 0.807 114.4 45.6 -64.1 -25.7 10.4 46.0 90.1 289 292 A Q H <<5S- 0 0 63 -4,-1.5 -1,-0.2 -3,-0.6 -2,-0.2 0.553 113.1-117.9 -91.8 -7.8 13.9 44.9 91.1 290 293 A G T <<5 0 0 69 -3,-0.9 -3,-0.2 -4,-0.8 -4,-0.1 0.841 360.0 360.0 73.8 32.1 13.2 41.1 90.9 291 294 A L < 0 0 104 -5,-2.3 -1,-0.2 -6,-0.2 -2,-0.1 -0.695 360.0 360.0-113.9 360.0 14.0 40.7 94.7