==== 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 18-DEC-96 1CCI . COMPND 2 MOLECULE: CYTOCHROME C PEROXIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR Y.CAO,R.A.MUSAH,S.K.WILCOX,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) . 13448.0 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 . 17 5.8 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 . 41 14.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 102 35.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.7 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 1 1 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 . 4 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 0 131 0, 0.0 2,-0.4 0, 0.0 269,-0.0 0.000 360.0 360.0 360.0 104.0 12.0 92.5 75.7 2 5 A V - 0 0 105 2,-0.0 2,-0.5 269,-0.0 269,-0.1 -0.882 360.0-167.6-106.0 135.5 9.7 90.0 73.9 3 6 A H - 0 0 32 267,-0.5 269,-3.4 -2,-0.4 2,-0.4 -0.927 10.5-164.4-116.7 100.4 8.6 90.6 70.3 4 7 A V B -a 272 0A 66 -2,-0.5 269,-0.2 267,-0.2 2,-0.1 -0.754 21.5-120.9 -91.7 132.2 5.8 88.2 69.3 5 8 A A - 0 0 12 267,-2.8 2,-0.4 -2,-0.4 122,-0.2 -0.473 28.1-170.3 -63.9 141.7 5.0 87.7 65.6 6 9 A S - 0 0 75 120,-2.3 120,-0.2 -2,-0.1 3,-0.1 -0.920 20.1-129.1-142.7 105.6 1.4 88.6 64.6 7 10 A V - 0 0 57 -2,-0.4 3,-0.2 118,-0.1 2,-0.0 -0.263 34.6-100.2 -52.0 138.0 0.1 87.8 61.1 8 11 A E > - 0 0 25 1,-0.2 3,-2.3 2,-0.1 -1,-0.1 -0.385 64.3 -77.1 -61.8 133.0 -1.5 90.7 59.2 9 12 A K T 3 S- 0 0 198 1,-0.3 -1,-0.2 89,-0.1 3,-0.1 -0.038 106.6 -11.9 -55.4 122.3 -5.3 90.1 59.7 10 13 A G T 3 S+ 0 0 75 1,-0.2 -1,-0.3 -3,-0.2 2,-0.1 0.360 97.2 138.9 76.4 -2.3 -6.7 87.4 57.5 11 14 A R < + 0 0 83 -3,-2.3 2,-0.2 3,-0.1 -1,-0.2 -0.424 22.3 168.6 -77.3 139.3 -3.6 87.1 55.3 12 15 A S >> - 0 0 51 -2,-0.1 4,-1.3 -3,-0.1 3,-1.2 -0.744 52.4 -64.5-127.0-165.8 -2.2 83.7 54.1 13 16 A Y H 3> S+ 0 0 63 1,-0.2 4,-2.6 -2,-0.2 3,-0.3 0.865 124.9 58.5 -45.5 -49.3 0.4 82.4 51.6 14 17 A E H 3> S+ 0 0 116 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.819 103.8 52.1 -58.2 -31.1 -1.4 83.6 48.5 15 18 A D H <> S+ 0 0 23 -3,-1.2 4,-1.4 2,-0.2 -1,-0.2 0.886 110.2 46.4 -74.0 -41.4 -1.2 87.2 49.7 16 19 A F H X S+ 0 0 0 -4,-1.3 4,-3.0 -3,-0.3 -2,-0.2 0.920 106.9 58.3 -73.2 -37.3 2.5 87.2 50.4 17 20 A Q H X S+ 0 0 17 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.845 104.2 54.1 -60.0 -28.6 3.2 85.5 46.9 18 21 A K H X S+ 0 0 112 -4,-1.1 4,-1.9 -5,-0.2 -1,-0.2 0.922 110.1 44.5 -68.9 -45.6 1.4 88.6 45.4 19 22 A V H X S+ 0 0 0 -4,-1.4 4,-2.1 2,-0.2 -2,-0.2 0.919 113.3 52.3 -63.3 -43.7 3.8 91.0 47.2 20 23 A Y H X S+ 0 0 0 -4,-3.0 4,-3.0 1,-0.2 5,-0.2 0.949 110.8 47.6 -52.9 -54.0 6.7 88.7 46.2 21 24 A N H X S+ 0 0 22 -4,-2.5 4,-2.6 1,-0.2 5,-0.2 0.862 108.6 53.9 -63.2 -30.6 5.6 88.8 42.5 22 25 A A H X S+ 0 0 18 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.937 112.4 43.7 -68.3 -43.6 5.2 92.6 42.5 23 26 A I H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.956 117.0 46.5 -63.1 -51.1 8.8 93.0 43.8 24 27 A A H X S+ 0 0 1 -4,-3.0 4,-2.3 2,-0.2 5,-0.2 0.937 111.1 51.4 -56.8 -47.4 10.2 90.4 41.4 25 28 A L H X S+ 0 0 69 -4,-2.6 4,-2.0 -5,-0.2 -1,-0.2 0.914 112.1 46.8 -60.0 -38.9 8.3 91.9 38.4 26 29 A K H X S+ 0 0 37 -4,-2.1 4,-2.7 -5,-0.2 -1,-0.2 0.876 107.8 58.0 -74.8 -23.3 9.7 95.4 39.3 27 30 A L H < S+ 0 0 24 -4,-2.2 12,-0.3 1,-0.2 -2,-0.2 0.921 109.4 44.0 -67.6 -41.7 13.2 93.7 39.6 28 31 A R H < S+ 0 0 135 -4,-2.3 3,-0.4 -5,-0.1 -1,-0.2 0.898 118.3 45.3 -64.8 -41.5 12.9 92.5 36.0 29 32 A E H < S+ 0 0 140 -4,-2.0 2,-2.0 1,-0.2 3,-0.2 0.962 106.3 53.0 -72.3 -56.0 11.6 95.9 34.8 30 33 A D S >< S+ 0 0 34 -4,-2.7 3,-0.9 1,-0.2 9,-0.3 -0.177 70.1 142.7 -79.3 56.2 13.8 98.5 36.5 31 34 A D T 3 + 0 0 84 -2,-2.0 -1,-0.2 -3,-0.4 -2,-0.1 0.540 50.6 72.3 -78.1 -9.6 16.9 96.8 35.1 32 35 A E T 3> + 0 0 82 -3,-0.2 4,-1.6 4,-0.1 3,-0.4 0.669 64.1 120.9 -80.7 -24.7 19.0 99.9 34.4 33 36 A Y H <>>S+ 0 0 42 -3,-0.9 5,-2.6 1,-0.2 4,-1.3 -0.106 80.6 5.3 -47.8 137.1 19.9 100.9 38.0 34 37 A D H >45S- 0 0 36 1,-0.2 3,-0.7 2,-0.2 -1,-0.2 0.938 138.9 -44.8 54.2 58.1 23.6 101.2 38.8 35 38 A N H 345S- 0 0 152 -3,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.906 113.5 -50.2 49.0 51.8 25.0 100.5 35.3 36 39 A Y H 3<5S+ 0 0 163 -4,-1.6 -1,-0.2 1,-0.1 -2,-0.2 0.709 108.9 116.3 64.7 24.4 22.7 97.6 34.6 37 40 A I T <<5 - 0 0 17 -4,-1.3 3,-0.3 -3,-0.7 -3,-0.2 0.836 65.7-150.9 -78.6 -32.3 23.3 95.7 37.8 38 41 A G < - 0 0 9 -5,-2.6 4,-0.4 1,-0.2 -7,-0.1 -0.264 31.3 -65.9 84.1-178.6 19.6 96.3 38.7 39 42 A Y S > S+ 0 0 35 -12,-0.3 4,-2.1 -9,-0.3 5,-0.2 0.605 102.4 96.0 -90.1 -4.0 18.2 96.5 42.3 40 43 A G H > S+ 0 0 5 -3,-0.3 4,-2.0 1,-0.2 5,-0.2 0.922 83.9 47.3 -51.8 -55.1 18.8 93.0 43.6 41 44 A P H > S+ 0 0 17 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.922 112.9 46.6 -61.1 -46.2 22.1 93.6 45.4 42 45 A V H > S+ 0 0 18 -4,-0.4 4,-2.9 1,-0.2 -2,-0.2 0.908 110.2 56.7 -67.7 -30.0 21.1 96.8 47.3 43 46 A L H X S+ 0 0 1 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.901 109.2 43.6 -68.0 -36.1 17.8 95.0 48.4 44 47 A V H X S+ 0 0 11 -4,-2.0 4,-1.8 -5,-0.2 -1,-0.2 0.901 111.7 55.0 -76.5 -25.9 19.7 92.2 50.0 45 48 A R H X S+ 0 0 71 -4,-2.4 4,-2.6 -5,-0.2 -2,-0.2 0.961 108.5 50.2 -62.4 -42.9 22.1 94.8 51.6 46 49 A L H X S+ 0 0 1 -4,-2.9 4,-2.2 1,-0.2 5,-0.2 0.932 108.2 50.1 -59.3 -46.9 18.9 96.6 53.1 47 50 A A H X S+ 0 0 0 -4,-1.8 4,-0.9 1,-0.2 -1,-0.2 0.890 113.0 48.0 -58.9 -39.5 17.5 93.4 54.6 48 51 A W H X S+ 0 0 50 -4,-1.8 4,-2.9 1,-0.2 -2,-0.2 0.907 112.7 48.2 -67.9 -44.3 20.9 92.7 56.2 49 52 A H H < S+ 0 0 14 -4,-2.6 4,-0.2 1,-0.2 -2,-0.2 0.764 109.7 50.7 -70.9 -25.1 21.2 96.3 57.6 50 53 A I H < S+ 0 0 5 -4,-2.2 -1,-0.2 -5,-0.2 12,-0.2 0.731 121.9 34.7 -82.3 -20.5 17.6 96.4 59.1 51 54 A S H >< S+ 0 0 2 -4,-0.9 3,-2.2 -5,-0.2 -2,-0.2 0.792 102.7 73.7 -93.0 -35.9 18.4 93.0 60.8 52 55 A G T 3< S+ 0 0 0 -4,-2.9 -3,-0.1 1,-0.3 -2,-0.1 0.511 81.9 73.2 -56.9 -9.9 22.1 93.5 61.6 53 56 A T T 3 S+ 0 0 6 -4,-0.2 -1,-0.3 -5,-0.1 -2,-0.1 0.453 71.9 120.2 -82.9 -4.5 21.3 96.0 64.3 54 57 A W < - 0 0 22 -3,-2.2 2,-0.4 7,-0.2 7,-0.2 -0.263 47.7-158.9 -62.2 147.8 20.0 93.2 66.7 55 58 A D B >>> -B 60 0B 29 5,-1.8 4,-1.8 1,-0.1 5,-0.6 -0.902 8.2-154.9-125.9 111.0 21.7 92.7 70.0 56 59 A K T 345S+ 0 0 83 101,-2.5 -1,-0.1 -2,-0.4 102,-0.1 0.738 88.6 64.3 -58.4 -20.3 21.2 89.2 71.6 57 60 A H T 345S+ 0 0 151 100,-0.2 -1,-0.2 1,-0.2 100,-0.0 0.967 123.6 8.0 -74.8 -44.5 21.7 90.5 75.1 58 61 A D T <45S- 0 0 78 -3,-0.6 -2,-0.2 2,-0.1 -1,-0.2 0.371 94.8-120.6-116.0 6.3 18.7 92.9 75.4 59 62 A N T <5 + 0 0 27 -4,-1.8 2,-0.2 1,-0.2 -3,-0.1 0.781 61.9 144.3 59.9 30.4 16.7 92.0 72.2 60 63 A T B < +B 55 0B 34 -5,-0.6 -5,-1.8 -7,-0.1 -1,-0.2 -0.605 50.1 16.4 -90.6 160.8 16.9 95.6 70.9 61 64 A G S S+ 0 0 17 73,-0.4 -7,-0.2 -7,-0.2 3,-0.2 -0.257 73.1 120.4 68.1-163.9 17.2 96.3 67.1 62 65 A G S S- 0 0 7 -12,-0.2 3,-0.3 1,-0.2 5,-0.3 -0.193 78.4 -67.4 94.7 173.4 16.5 93.5 64.5 63 66 A S S > S+ 0 0 1 206,-0.4 3,-0.8 203,-0.3 -1,-0.2 0.697 108.1 83.8 -73.2 -20.9 14.0 93.3 61.7 64 67 A Y T 3 S+ 0 0 22 205,-0.4 38,-0.4 1,-0.2 -1,-0.2 0.906 88.4 46.4 -55.4 -49.1 10.7 93.2 63.8 65 68 A G T 3 S- 0 0 7 -3,-0.3 65,-2.0 -4,-0.2 -1,-0.2 0.597 87.5-138.8 -76.2 -15.1 10.1 96.9 64.4 66 69 A G X + 0 0 5 -3,-0.8 3,-1.8 -4,-0.2 4,-0.2 0.727 45.1 156.4 60.0 26.4 10.6 98.3 60.9 67 70 A T G > + 0 0 8 1,-0.3 3,-1.5 -5,-0.3 6,-0.4 0.560 47.7 87.4 -69.4 -2.9 12.4 101.3 62.5 68 71 A Y G 3 S+ 0 0 2 1,-0.3 -1,-0.3 5,-0.2 6,-0.2 0.725 74.5 71.1 -64.4 -25.7 14.4 102.1 59.3 69 72 A R G < S+ 0 0 73 -3,-1.8 2,-0.4 4,-0.1 -1,-0.3 0.689 85.3 89.2 -63.4 -18.5 11.5 104.3 58.2 70 73 A F S X> S- 0 0 30 -3,-1.5 4,-2.1 -4,-0.2 3,-0.9 -0.716 86.9-120.6 -89.3 134.9 12.6 106.7 61.0 71 74 A K H 3> S+ 0 0 145 -2,-0.4 4,-2.2 1,-0.2 5,-0.1 0.714 106.2 59.6 -37.7 -46.5 15.2 109.5 60.4 72 75 A K H 34 S+ 0 0 83 1,-0.2 -1,-0.2 2,-0.2 -4,-0.1 0.962 116.8 32.8 -54.4 -50.3 17.8 108.4 63.0 73 76 A E H X4 S+ 0 0 3 -3,-0.9 3,-1.7 -6,-0.4 -2,-0.2 0.917 116.2 54.1 -75.5 -44.2 18.2 105.0 61.3 74 77 A F H 3< S+ 0 0 41 -4,-2.1 -1,-0.2 -7,-0.3 -2,-0.2 0.843 112.5 48.0 -60.0 -29.1 17.6 106.1 57.7 75 78 A N T 3< S+ 0 0 106 -4,-2.2 -1,-0.3 -5,-0.3 -2,-0.2 0.365 77.5 129.0 -95.4 6.8 20.3 108.7 58.2 76 79 A D X - 0 0 9 -3,-1.7 3,-2.4 1,-0.2 4,-0.2 -0.443 63.8-132.8 -56.9 128.0 22.8 106.3 59.8 77 80 A P G > S+ 0 0 100 0, 0.0 3,-1.0 0, 0.0 -1,-0.2 0.784 107.5 62.5 -57.8 -26.0 26.2 106.8 57.8 78 81 A S G 3 S+ 0 0 39 1,-0.2 -2,-0.1 3,-0.0 -3,-0.0 0.652 100.8 52.8 -72.0 -16.7 26.4 103.0 57.6 79 82 A N G X S+ 0 0 0 -3,-2.4 3,-2.0 -6,-0.2 4,-0.4 0.241 75.6 140.7-103.2 10.0 23.2 103.1 55.6 80 83 A A T < S+ 0 0 26 -3,-1.0 101,-0.1 1,-0.2 -5,-0.1 -0.251 71.9 21.0 -52.3 124.0 24.4 105.6 53.0 81 84 A G T > S+ 0 0 7 99,-0.1 3,-1.4 100,-0.1 4,-0.4 0.073 94.3 100.1 101.3 -24.8 23.1 104.5 49.5 82 85 A L T X> + 0 0 0 -3,-2.0 4,-2.0 1,-0.3 3,-0.6 0.676 59.1 83.1 -72.9 -11.2 20.2 102.3 50.9 83 86 A Q H 3> S+ 0 0 47 -4,-0.4 4,-2.8 1,-0.2 -1,-0.3 0.849 84.4 64.5 -53.0 -33.6 17.7 105.1 50.2 84 87 A N H <> S+ 0 0 60 -3,-1.4 4,-1.8 2,-0.2 -1,-0.2 0.927 103.4 42.9 -58.7 -42.6 17.8 103.7 46.6 85 88 A G H <> S+ 0 0 0 -3,-0.6 4,-2.1 -4,-0.4 -2,-0.2 0.918 112.2 54.0 -71.4 -41.4 16.3 100.4 47.8 86 89 A F H X S+ 0 0 43 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.949 109.4 47.8 -56.9 -46.8 13.7 102.1 50.0 87 90 A K H < S+ 0 0 110 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.887 108.5 55.2 -67.7 -32.4 12.5 104.2 47.1 88 91 A F H < S+ 0 0 4 -4,-1.8 4,-0.5 -5,-0.2 -1,-0.2 0.927 112.2 43.3 -59.3 -42.8 12.3 101.1 45.0 89 92 A L H X S+ 0 0 3 -4,-2.1 4,-2.0 1,-0.2 3,-0.4 0.761 94.8 83.1 -80.1 -18.5 10.0 99.4 47.6 90 93 A E H X S+ 0 0 73 -4,-1.7 4,-2.0 1,-0.3 5,-0.2 0.882 87.2 48.7 -59.3 -46.8 7.8 102.5 48.2 91 94 A P H > S+ 0 0 65 0, 0.0 4,-2.0 0, 0.0 -1,-0.3 0.892 112.4 53.6 -58.0 -31.7 5.4 102.1 45.2 92 95 A I H > S+ 0 0 8 -4,-0.5 4,-2.3 -3,-0.4 -2,-0.2 0.888 106.5 48.7 -75.7 -31.9 4.9 98.5 46.4 93 96 A H H < S+ 0 0 49 -4,-2.0 -1,-0.2 2,-0.2 6,-0.2 0.893 109.7 53.8 -70.5 -37.5 4.1 99.4 50.0 94 97 A K H < S+ 0 0 145 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.922 110.8 47.5 -57.5 -45.7 1.6 101.9 48.6 95 98 A E H < S+ 0 0 125 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.841 122.0 33.3 -68.8 -34.9 0.1 99.0 46.6 96 99 A F S >< S+ 0 0 19 -4,-2.3 3,-2.4 1,-0.1 -1,-0.2 -0.469 70.2 169.1-118.7 71.7 -0.1 96.6 49.6 97 100 A P T 3 + 0 0 101 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.773 69.7 67.1 -56.7 -25.4 -0.8 99.0 52.5 98 101 A W T 3 S+ 0 0 59 -3,-0.1 2,-0.3 2,-0.1 -89,-0.1 0.604 77.1 94.1 -69.0 -22.9 -1.5 96.1 54.8 99 102 A I S < S- 0 0 4 -3,-2.4 2,-0.1 -6,-0.2 -3,-0.1 -0.615 78.2-121.2 -77.2 135.0 2.1 94.6 54.9 100 103 A S > - 0 0 16 -2,-0.3 4,-2.0 27,-0.2 5,-0.2 -0.415 21.0-112.6 -67.6 153.8 4.2 95.8 57.9 101 104 A S H > S+ 0 0 8 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.929 115.5 49.7 -52.9 -45.3 7.6 97.7 57.2 102 105 A G H > S+ 0 0 0 -38,-0.4 4,-2.4 1,-0.2 5,-0.2 0.873 110.1 49.1 -61.1 -46.3 9.7 94.9 58.7 103 106 A D H > S+ 0 0 0 24,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.858 113.4 47.6 -65.2 -35.2 8.0 92.2 56.6 104 107 A L H X S+ 0 0 2 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.895 111.6 48.8 -71.7 -42.5 8.4 94.2 53.4 105 108 A F H X S+ 0 0 7 -4,-2.5 4,-1.4 -5,-0.2 -2,-0.2 0.938 117.9 42.1 -65.3 -40.3 12.1 95.0 54.0 106 109 A S H X S+ 0 0 0 -4,-2.4 4,-1.9 -5,-0.2 -2,-0.2 0.909 113.0 51.1 -77.7 -34.1 12.9 91.4 54.8 107 110 A L H X S+ 0 0 0 -4,-2.2 4,-2.7 -5,-0.2 5,-0.3 0.918 105.3 57.3 -65.7 -40.4 10.7 89.9 51.9 108 111 A G H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.933 107.2 50.4 -51.6 -41.6 12.5 92.3 49.4 109 112 A G H X S+ 0 0 0 -4,-1.4 4,-1.7 2,-0.2 -2,-0.2 0.911 112.7 45.1 -62.7 -42.5 15.8 90.6 50.6 110 113 A V H X S+ 0 0 0 -4,-1.9 4,-2.2 1,-0.2 5,-0.2 0.955 112.6 50.2 -65.2 -47.7 14.3 87.1 50.1 111 114 A T H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 5,-0.2 0.903 107.9 54.2 -58.5 -43.2 12.8 87.9 46.7 112 115 A A H X S+ 0 0 0 -4,-2.3 4,-2.1 -5,-0.3 6,-0.2 0.955 107.9 48.3 -63.6 -46.8 16.1 89.4 45.4 113 116 A V H <>S+ 0 0 0 -4,-1.7 5,-3.1 1,-0.2 82,-0.2 0.923 115.6 44.5 -57.6 -46.3 18.2 86.3 46.3 114 117 A Q H ><5S+ 0 0 7 -4,-2.2 3,-1.1 3,-0.2 -1,-0.2 0.899 113.5 48.7 -68.1 -40.9 15.7 83.9 44.6 115 118 A E H 3<5S+ 0 0 46 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.805 107.7 54.6 -69.4 -28.9 15.2 86.0 41.5 116 119 A M T 3<5S- 0 0 18 -4,-2.1 79,-3.0 -5,-0.2 -1,-0.3 0.128 128.0-106.1 -84.0 23.7 19.1 86.3 41.1 117 120 A Q T < 5S+ 0 0 120 -3,-1.1 -3,-0.2 77,-0.2 -2,-0.1 0.711 73.7 138.6 43.7 43.0 18.9 82.5 41.2 118 121 A G < - 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0 0 47 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.017 24.6-120.8 -69.2 155.1 30.3 96.8 61.2 143 146 A D - 0 0 81 1,-0.1 3,-0.3 7,-0.0 -65,-0.0 -0.698 14.0-150.3 -85.4 147.2 33.5 98.6 60.1 144 147 A A S S+ 0 0 27 -2,-0.3 87,-2.1 1,-0.2 2,-0.3 0.666 83.2 71.1 -93.7 -13.7 35.0 97.4 56.8 145 148 A D S S+ 0 0 91 85,-0.2 2,-0.2 84,-0.1 -1,-0.2 -0.178 85.5 90.9 -94.2 36.2 38.7 98.2 57.5 146 149 A K - 0 0 73 -2,-0.3 88,-0.3 -3,-0.3 2,-0.1 -0.671 64.2-105.6-130.2-175.1 39.3 95.4 60.1 147 150 A D > - 0 0 92 -2,-0.2 4,-2.1 86,-0.1 3,-0.4 -0.449 40.1 -86.2-107.4-175.6 40.4 91.8 60.6 148 151 A A H > S+ 0 0 8 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.848 121.4 57.4 -56.9 -39.1 39.2 88.3 61.4 149 152 A G H > S+ 0 0 35 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.924 109.4 46.6 -61.0 -40.6 39.2 88.9 65.2 150 153 A Y H > S+ 0 0 60 -3,-0.4 4,-2.8 2,-0.2 -2,-0.2 0.886 112.4 48.9 -66.2 -45.3 36.9 91.9 64.8 151 154 A V H X S+ 0 0 8 -4,-2.1 4,-2.6 2,-0.2 5,-0.2 0.964 111.3 49.7 -60.1 -48.9 34.4 90.0 62.4 152 155 A R H X S+ 0 0 39 -4,-2.6 4,-1.1 1,-0.2 -2,-0.2 0.935 116.2 42.0 -57.7 -44.9 34.2 87.0 64.7 153 156 A T H X S+ 0 0 93 -4,-1.9 4,-0.8 -5,-0.2 3,-0.4 0.907 112.2 53.9 -70.9 -42.7 33.5 89.2 67.8 154 157 A F H >< S+ 0 0 23 -4,-2.8 3,-1.1 1,-0.2 4,-0.3 0.948 110.0 48.4 -54.6 -49.3 31.1 91.5 65.9 155 158 A F H ><>S+ 0 0 15 -4,-2.6 5,-2.3 1,-0.2 3,-1.0 0.704 93.6 72.5 -71.0 -20.6 29.0 88.5 64.8 156 159 A Q H ><5S+ 0 0 97 -4,-1.1 3,-1.8 -3,-0.4 -1,-0.2 0.873 90.4 63.2 -56.8 -33.6 28.8 86.9 68.3 157 160 A R T <<5S+ 0 0 45 -3,-1.1 -101,-2.5 -4,-0.8 -1,-0.2 0.778 109.9 37.3 -63.3 -28.4 26.4 89.8 69.1 158 161 A L T < 5S- 0 0 0 -3,-1.0 -1,-0.3 -4,-0.3 -2,-0.2 0.131 118.9-119.9 -99.7 23.1 24.0 88.4 66.4 159 162 A N T < 5 + 0 0 71 -3,-1.8 2,-0.4 1,-0.2 -3,-0.2 0.728 59.0 151.4 1.7 71.6 25.0 84.9 67.5 160 163 A M < - 0 0 7 -5,-2.3 -1,-0.2 -8,-0.1 2,-0.2 -0.729 34.0-146.4-102.6 132.9 26.3 83.8 64.4 161 164 A N > - 0 0 89 -2,-0.4 4,-2.6 1,-0.0 5,-0.2 -0.462 36.6 -87.2 -90.3 176.1 29.1 81.2 64.6 162 165 A D H > S+ 0 0 29 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.889 127.0 49.9 -53.9 -46.1 32.0 80.9 62.1 163 166 A R H > S+ 0 0 76 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.917 112.8 48.6 -63.2 -37.2 30.3 78.7 59.5 164 167 A E H > S+ 0 0 35 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.938 110.8 50.1 -70.1 -43.5 27.3 81.1 59.5 165 168 A V H X S+ 0 0 1 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.915 111.5 47.9 -59.7 -40.8 29.5 84.2 59.1 166 169 A V H X S+ 0 0 0 -4,-2.3 4,-0.6 -5,-0.2 -2,-0.2 0.916 114.1 46.5 -72.0 -38.3 31.4 82.7 56.2 167 170 A A H >< S+ 0 0 0 -4,-1.9 3,-1.2 2,-0.2 4,-0.4 0.948 112.6 50.7 -63.8 -51.4 28.2 81.6 54.4 168 171 A L H >< S+ 0 0 19 -4,-2.8 3,-1.7 1,-0.2 -2,-0.2 0.936 105.6 56.7 -52.2 -46.2 26.6 85.1 55.0 169 172 A M H >< S+ 0 0 29 -4,-2.3 3,-2.2 1,-0.3 -1,-0.2 0.689 84.6 81.0 -61.7 -22.8 29.7 86.8 53.6 170 173 A G G X< S+ 0 0 7 -3,-1.2 3,-1.8 -4,-0.6 -1,-0.3 0.789 76.2 75.7 -54.5 -25.9 29.4 84.9 50.2 171 174 A A G X S+ 0 0 20 -3,-1.7 3,-2.2 -4,-0.4 -1,-0.3 0.730 73.5 80.8 -59.8 -18.8 26.7 87.6 49.4 172 175 A H G < S+ 0 0 102 -3,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.538 72.7 76.5 -70.7 2.2 29.6 90.0 48.7 173 176 A A G < S+ 0 0 18 -3,-1.8 19,-0.4 23,-0.1 -1,-0.3 0.624 86.5 82.0 -72.9 -15.3 30.0 88.4 45.3 174 177 A L S < S- 0 0 17 -3,-2.2 19,-0.2 -4,-0.1 21,-0.0 -0.638 94.2 -19.5 -89.6 147.3 26.8 90.5 44.5 175 178 A G B S-D 192 0D 8 17,-2.7 17,-0.5 -2,-0.2 2,-0.3 -0.074 77.4 -88.6 67.0-152.0 26.8 94.2 43.4 176 179 A K - 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0 0 18 -2,-0.3 4,-2.4 -10,-0.2 3,-0.7 -0.549 34.3-108.8 -77.7 152.9 37.4 94.8 51.7 230 233 A P H 3> S+ 0 0 25 0, 0.0 4,-2.1 0, 0.0 -85,-0.2 0.961 124.4 53.3 -44.0 -48.9 40.0 94.2 54.6 231 234 A T H 34 S+ 0 0 15 -87,-2.1 4,-0.3 1,-0.2 -86,-0.1 0.820 109.4 48.2 -61.6 -28.2 37.1 92.3 56.3 232 235 A D H X4 S+ 0 0 11 -3,-0.7 3,-1.1 -88,-0.2 4,-0.2 0.862 107.4 53.0 -73.9 -40.9 36.6 90.1 53.2 233 236 A Y H >X S+ 0 0 44 -4,-2.4 3,-2.1 1,-0.2 4,-1.1 0.853 94.1 77.2 -65.4 -29.9 40.3 89.3 52.9 234 237 A S H 3X S+ 0 0 0 -4,-2.1 4,-1.8 -5,-0.3 -1,-0.2 0.789 78.2 71.7 -43.8 -33.2 40.1 88.2 56.6 235 238 A L H <4 S+ 0 0 4 -3,-1.1 -1,-0.3 -4,-0.3 10,-0.2 0.768 102.8 39.0 -68.3 -22.1 38.4 85.0 55.5 236 239 A I H <4 S+ 0 0 38 -3,-2.1 -1,-0.2 -4,-0.2 -2,-0.2 0.682 110.8 61.2 -95.7 -15.3 41.7 83.6 54.0 237 240 A Q H < S+ 0 0 113 -4,-1.1 -2,-0.2 -3,-0.1 -3,-0.1 0.827 93.9 69.8 -73.2 -34.0 43.9 85.0 56.8 238 241 A D S X S- 0 0 28 -4,-1.8 4,-3.2 1,-0.1 5,-0.2 -0.750 74.6-142.9 -91.2 133.6 42.2 83.0 59.6 239 242 A P H > S+ 0 0 102 0, 0.0 4,-1.5 0, 0.0 -1,-0.1 0.894 100.7 45.5 -62.0 -43.1 42.7 79.2 59.8 240 243 A K H > S+ 0 0 115 2,-0.2 4,-1.3 1,-0.1 3,-0.1 0.965 118.1 44.6 -66.1 -46.3 39.1 78.3 61.0 241 244 A Y H >> S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 3,-1.0 0.980 109.6 54.9 -55.9 -58.4 37.6 80.7 58.4 242 245 A L H 3X S+ 0 0 45 -4,-3.2 4,-2.1 1,-0.3 -1,-0.2 0.816 102.7 56.1 -50.0 -37.5 39.9 79.5 55.5 243 246 A S H 3X S+ 0 0 70 -4,-1.5 4,-1.5 -5,-0.2 -1,-0.3 0.915 109.2 46.3 -69.0 -32.4 38.9 75.8 55.9 244 247 A I H < S+ 0 0 0 -4,-2.3 3,-0.6 2,-0.2 7,-0.2 0.790 109.3 57.9 -73.7 -33.7 32.3 76.2 49.7 249 252 A A H 3< S+ 0 0 9 -4,-2.2 -1,-0.2 -5,-0.2 3,-0.2 0.825 114.6 42.0 -65.8 -27.7 34.7 76.9 46.8 250 253 A N T 3< S+ 0 0 133 -4,-1.2 -1,-0.2 -5,-0.2 -2,-0.2 0.420 121.5 37.3 -99.6 4.2 34.5 73.1 46.3 251 254 A D <> + 0 0 76 -3,-0.6 4,-1.9 -4,-0.1 -1,-0.2 -0.588 53.5 178.9-154.4 87.2 30.7 72.5 46.9 252 255 A Q H > S+ 0 0 124 1,-0.2 4,-2.5 -3,-0.2 5,-0.2 0.906 85.8 57.0 -60.8 -32.9 28.2 75.2 45.6 253 256 A D H > S+ 0 0 97 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.903 106.7 46.7 -63.0 -44.8 25.2 73.0 46.9 254 257 A K H > S+ 0 0 69 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.890 112.9 52.6 -63.9 -35.4 26.5 73.0 50.6 255 258 A F H X S+ 0 0 0 -4,-1.9 4,-2.6 -7,-0.2 5,-0.2 0.966 110.0 46.4 -61.3 -57.1 27.1 76.8 50.2 256 259 A F H X S+ 0 0 41 -4,-2.5 4,-2.0 2,-0.2 5,-0.2 0.944 114.6 47.6 -49.4 -52.7 23.5 77.4 49.0 257 260 A K H X S+ 0 0 93 -4,-2.3 4,-1.7 1,-0.2 -1,-0.2 0.930 114.3 45.6 -55.4 -46.4 22.0 75.2 51.8 258 261 A D H X S+ 0 0 10 -4,-2.3 4,-2.0 -5,-0.2 -2,-0.2 0.896 111.4 52.6 -72.1 -31.4 24.1 76.9 54.5 259 262 A F H X S+ 0 0 2 -4,-2.6 4,-2.8 -5,-0.2 5,-0.3 0.906 106.7 53.4 -65.3 -42.8 23.4 80.5 53.3 260 263 A S H X S+ 0 0 18 -4,-2.0 4,-2.0 -5,-0.2 5,-0.2 0.918 110.2 46.6 -61.6 -43.0 19.7 79.8 53.3 261 264 A K H X S+ 0 0 126 -4,-1.7 4,-2.3 -5,-0.2 -1,-0.2 0.935 116.6 43.0 -65.5 -43.1 19.7 78.7 56.9 262 265 A A H X S+ 0 0 1 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.858 113.5 51.1 -75.3 -27.8 21.9 81.6 58.2 263 266 A F H X S+ 0 0 5 -4,-2.8 4,-1.4 2,-0.2 -1,-0.2 0.928 112.5 45.9 -77.3 -40.1 20.0 84.3 56.1 264 267 A E H X S+ 0 0 33 -4,-2.0 4,-1.8 -5,-0.3 3,-0.4 0.943 111.8 52.5 -65.2 -40.6 16.7 83.1 57.5 265 268 A K H X S+ 0 0 60 -4,-2.3 4,-1.0 1,-0.2 -2,-0.2 0.960 109.4 51.0 -60.0 -39.8 18.2 83.0 61.1 266 269 A L H < S+ 0 0 4 -4,-2.2 -203,-0.3 1,-0.2 -1,-0.2 0.820 110.8 45.8 -63.8 -37.2 19.3 86.6 60.5 267 270 A L H < S+ 0 0 2 -4,-1.4 -1,-0.2 -3,-0.4 -2,-0.2 0.760 117.9 44.6 -81.0 -23.2 15.9 87.9 59.4 268 271 A E H >< S+ 0 0 36 -4,-1.8 3,-1.7 -3,-0.2 -2,-0.2 0.452 79.9 124.1 -96.4 -8.1 14.1 86.1 62.3 269 272 A N T 3< S+ 0 0 22 -4,-1.0 -205,-0.4 1,-0.2 -206,-0.4 -0.356 76.9 20.5 -61.8 136.2 16.4 86.9 65.2 270 273 A G T 3 S+ 0 0 16 1,-0.2 -267,-0.5 -208,-0.1 2,-0.4 0.254 98.5 111.8 92.5 -9.7 14.6 88.6 68.1 271 274 A I < - 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0 0 83 -2,-0.3 2,-0.4 -160,-0.2 -162,-0.0 -0.943 21.5-150.7-107.9 109.5 8.6 78.9 50.3 283 286 A F - 0 0 0 -2,-0.6 2,-0.1 -162,-0.3 -162,-0.1 -0.664 9.5-122.8 -85.3 136.0 7.7 81.3 47.4 284 287 A K - 0 0 99 -2,-0.4 2,-0.1 1,-0.1 -1,-0.1 -0.413 25.5-124.5 -65.1 142.5 7.8 80.4 43.8 285 288 A T > - 0 0 15 -2,-0.1 4,-1.3 1,-0.1 6,-0.2 -0.455 26.2-106.9 -82.5 161.6 10.0 82.4 41.5 286 289 A L H >>>S+ 0 0 1 1,-0.2 5,-1.5 2,-0.2 3,-1.2 0.992 122.6 55.8 -52.5 -45.3 8.6 84.1 38.3 287 290 A E H >45S+ 0 0 167 1,-0.3 3,-1.0 2,-0.2 -1,-0.2 0.895 106.5 47.5 -51.8 -48.7 10.4 81.4 36.3 288 291 A E H 345S+ 0 0 105 1,-0.2 -1,-0.3 2,-0.1 -2,-0.2 0.763 114.5 49.4 -67.1 -18.8 8.6 78.5 38.2 289 292 A Q H <<5S- 0 0 56 -4,-1.3 -1,-0.2 -3,-1.2 -2,-0.2 0.453 108.5-123.1 -96.7 -1.6 5.3 80.3 37.6 290 293 A G T <<5 0 0 71 -3,-1.0 -3,-0.2 -4,-0.8 -4,-0.1 0.652 360.0 360.0 67.8 12.1 5.8 81.0 33.9 291 294 A L < 0 0 102 -5,-1.5 -1,-0.2 -6,-0.2 -2,-0.1 -0.259 360.0 360.0 -86.4 360.0 5.3 84.7 34.6