==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 07-MAR-10 3M2F . COMPND 2 MOLECULE: CYTOCHROME C PEROXIDASE, MITOCHONDRIAL; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR Y.T.MEHARENNA,T.L.POULOS . 291 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13024.0 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 . 3 1.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 14 4.8 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 . 9 3.1 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 . 103 35.4 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 1 1 1 0 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 3 1 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 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 0 119 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 144.5 11.5 90.4 74.7 2 5 A V - 0 0 107 269,-0.0 2,-0.7 2,-0.0 269,-0.1 -0.863 360.0-159.3-103.2 129.9 9.7 87.6 72.9 3 6 A H E -a 271 0A 26 267,-0.6 269,-3.2 -2,-0.4 2,-0.5 -0.899 10.8-163.0-112.5 102.5 8.6 88.1 69.3 4 7 A V E -a 272 0A 70 -2,-0.7 269,-0.2 267,-0.2 2,-0.1 -0.736 23.0-118.0 -91.3 125.4 5.8 85.6 68.5 5 8 A A - 0 0 11 267,-2.7 2,-0.4 -2,-0.5 122,-0.2 -0.407 30.3-168.1 -58.2 132.6 5.1 85.1 64.8 6 9 A S - 0 0 74 120,-2.5 120,-0.2 -2,-0.1 3,-0.1 -0.967 20.5-127.3-133.3 109.4 1.6 86.1 63.9 7 10 A V - 0 0 54 -2,-0.4 3,-0.2 118,-0.1 5,-0.0 -0.334 34.3-101.1 -61.0 130.6 0.3 85.1 60.6 8 11 A E > - 0 0 19 1,-0.2 3,-2.6 2,-0.1 -1,-0.1 -0.294 64.2 -78.8 -53.5 133.6 -1.1 88.0 58.5 9 12 A K T 3 S- 0 0 201 1,-0.3 -1,-0.2 89,-0.1 3,-0.1 -0.149 106.0 -12.1 -59.7 123.0 -4.9 87.6 59.0 10 13 A G T 3 S+ 0 0 74 1,-0.2 -1,-0.3 -3,-0.2 2,-0.2 0.378 98.8 138.0 78.9 0.8 -6.4 84.9 56.9 11 14 A R < + 0 0 81 -3,-2.6 -1,-0.2 3,-0.1 2,-0.2 -0.480 24.5 173.4 -86.3 151.8 -3.3 84.5 54.7 12 15 A S >> - 0 0 61 -2,-0.2 4,-1.6 -3,-0.1 3,-1.0 -0.735 51.5 -67.9-141.3-174.2 -1.9 81.2 53.5 13 16 A Y H 3> S+ 0 0 67 1,-0.3 4,-2.4 -2,-0.2 5,-0.2 0.859 125.9 57.0 -52.5 -40.3 0.8 79.8 51.2 14 17 A E H 3> S+ 0 0 113 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.850 103.5 53.8 -63.3 -35.0 -1.0 81.1 48.0 15 18 A D H <> S+ 0 0 20 -3,-1.0 4,-1.5 2,-0.2 -1,-0.2 0.934 112.3 43.5 -60.6 -48.1 -1.0 84.7 49.2 16 19 A F H X S+ 0 0 0 -4,-1.6 4,-2.9 2,-0.2 -2,-0.2 0.851 108.3 57.9 -71.1 -30.2 2.7 84.6 49.8 17 20 A Q H X S+ 0 0 13 -4,-2.4 4,-2.8 -5,-0.2 -1,-0.2 0.891 104.6 53.6 -64.7 -36.4 3.4 82.8 46.5 18 21 A K H X S+ 0 0 105 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.893 110.0 46.2 -62.1 -40.3 1.6 85.8 44.8 19 22 A V H X S+ 0 0 0 -4,-1.5 4,-2.5 2,-0.2 -2,-0.2 0.934 112.5 50.8 -66.4 -46.0 4.0 88.2 46.6 20 23 A Y H X S+ 0 0 0 -4,-2.9 4,-3.0 1,-0.2 5,-0.2 0.928 110.8 50.2 -45.9 -53.8 7.0 85.9 45.7 21 24 A N H X S+ 0 0 22 -4,-2.8 4,-2.6 1,-0.2 -1,-0.2 0.884 107.9 50.8 -63.7 -37.7 5.8 86.0 42.1 22 25 A A H X S+ 0 0 16 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.921 112.8 46.9 -66.0 -39.4 5.4 89.8 42.0 23 26 A I H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.941 113.6 48.7 -60.9 -45.8 9.0 90.1 43.3 24 27 A A H X S+ 0 0 1 -4,-3.0 4,-1.8 1,-0.2 -2,-0.2 0.866 110.6 49.9 -65.9 -39.5 10.2 87.6 40.9 25 28 A L H X S+ 0 0 79 -4,-2.6 4,-2.2 -5,-0.2 -1,-0.2 0.890 111.7 48.3 -67.7 -37.4 8.5 89.2 37.9 26 29 A K H X S+ 0 0 53 -4,-2.1 4,-2.9 2,-0.2 -2,-0.2 0.869 107.8 55.8 -72.5 -32.5 9.9 92.7 38.8 27 30 A L H < S+ 0 0 23 -4,-2.4 12,-0.2 1,-0.2 -1,-0.2 0.887 111.1 44.7 -61.4 -39.6 13.3 91.1 39.2 28 31 A R H < S+ 0 0 128 -4,-1.8 3,-0.3 -5,-0.2 -2,-0.2 0.922 117.9 43.3 -67.7 -42.6 13.0 89.9 35.7 29 32 A E H < S+ 0 0 136 -4,-2.2 2,-1.6 1,-0.2 3,-0.2 0.880 106.3 58.3 -72.1 -44.6 11.6 93.2 34.3 30 33 A D >< + 0 0 31 -4,-2.9 3,-0.6 1,-0.2 9,-0.4 -0.420 67.1 142.2 -89.1 62.0 13.9 95.6 36.0 31 34 A D T 3 + 0 0 83 -2,-1.6 -1,-0.2 -3,-0.3 -2,-0.1 0.581 48.9 72.9 -88.0 -9.2 17.0 94.1 34.6 32 35 A E T 3> + 0 0 86 -3,-0.2 4,-2.2 4,-0.1 3,-0.4 0.732 66.3 119.8 -76.5 -26.1 19.1 97.3 33.9 33 36 A Y H <>>S+ 0 0 24 -3,-0.6 5,-3.0 1,-0.2 4,-0.9 -0.052 79.7 6.5 -53.2 136.3 20.0 98.0 37.5 34 37 A D H >45S- 0 0 32 1,-0.2 3,-1.3 2,-0.2 -1,-0.2 0.954 139.1 -47.6 60.7 52.6 23.6 98.1 38.5 35 38 A N H 345S- 0 0 151 -3,-0.4 -1,-0.2 1,-0.3 -2,-0.2 0.896 113.2 -49.3 52.0 46.1 25.0 97.6 34.9 36 39 A Y H 3<5S+ 0 0 158 -4,-2.2 -1,-0.3 1,-0.1 -2,-0.2 0.577 110.5 117.4 72.2 18.0 22.6 94.8 34.2 37 40 A I T <<5 - 0 0 17 -3,-1.3 3,-0.3 -4,-0.9 -3,-0.2 0.895 66.3-151.3 -69.9 -34.9 23.4 92.9 37.4 38 41 A G < - 0 0 8 -5,-3.0 4,-0.4 1,-0.2 -7,-0.1 -0.185 29.5 -67.4 82.1 175.5 19.8 93.4 38.3 39 42 A Y S > S+ 0 0 33 -9,-0.4 4,-2.2 -12,-0.2 5,-0.2 0.405 101.9 98.2 -83.1 -1.4 18.3 93.7 41.8 40 43 A G H > S+ 0 0 4 -3,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.955 85.6 42.8 -54.4 -55.9 18.9 90.1 42.9 41 44 A P H > S+ 0 0 14 0, 0.0 4,-2.7 0, 0.0 -1,-0.2 0.923 113.6 49.8 -59.8 -46.7 22.1 90.7 44.9 42 45 A V H > S+ 0 0 13 -4,-0.4 4,-2.5 1,-0.2 -2,-0.2 0.860 109.8 53.0 -68.4 -27.5 21.0 93.9 46.6 43 46 A L H X S+ 0 0 1 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.890 108.7 49.5 -68.9 -36.4 17.7 92.1 47.7 44 47 A V H X S+ 0 0 8 -4,-2.1 4,-2.2 -5,-0.2 -2,-0.2 0.927 112.8 47.4 -63.4 -45.6 19.7 89.3 49.2 45 48 A R H X S+ 0 0 93 -4,-2.7 4,-3.1 1,-0.2 5,-0.3 0.882 109.0 54.4 -64.9 -36.8 21.9 91.8 51.0 46 49 A L H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 5,-0.2 0.945 108.1 49.3 -59.8 -45.8 18.8 93.7 52.2 47 50 A A H X S+ 0 0 0 -4,-2.3 4,-0.9 1,-0.2 -1,-0.2 0.910 114.4 46.2 -58.0 -41.9 17.4 90.5 53.7 48 51 A W H X S+ 0 0 40 -4,-2.2 4,-2.9 2,-0.2 3,-0.4 0.929 113.2 46.3 -69.3 -45.0 20.7 89.8 55.4 49 52 A H H < S+ 0 0 4 -4,-3.1 4,-0.4 1,-0.2 -1,-0.2 0.830 110.9 52.3 -69.3 -31.5 21.2 93.3 56.8 50 53 A T H < S+ 0 0 5 -4,-2.4 -1,-0.2 -5,-0.3 17,-0.2 0.758 120.3 36.3 -73.6 -20.0 17.7 93.6 58.1 51 54 A S H >< S+ 0 0 0 -4,-0.9 3,-1.4 -3,-0.4 12,-0.2 0.761 105.5 69.0 -94.2 -30.8 18.2 90.3 59.9 52 55 A G T 3< S+ 0 0 0 -4,-2.9 -3,-0.1 1,-0.3 -2,-0.1 0.385 77.6 77.3 -81.9 0.5 21.8 90.7 60.9 53 56 A T T 3 S+ 0 0 4 -4,-0.4 -1,-0.3 -5,-0.1 -2,-0.1 0.439 71.8 124.1 -76.7 -4.8 21.3 93.4 63.4 54 57 A W < - 0 0 23 -3,-1.4 2,-0.5 7,-0.2 7,-0.2 -0.304 47.7-160.2 -62.7 145.0 20.1 90.7 65.8 55 58 A D B >>> -B 60 0B 29 5,-2.0 4,-2.1 1,-0.1 3,-1.2 -0.975 7.0-157.9-122.3 112.8 21.7 90.2 69.2 56 59 A K T 345S+ 0 0 87 101,-2.2 -1,-0.1 -2,-0.5 102,-0.1 0.727 87.0 69.1 -61.2 -22.6 21.1 86.7 70.7 57 60 A H T 345S+ 0 0 138 100,-0.2 -1,-0.3 1,-0.2 -3,-0.0 0.830 123.9 2.2 -71.8 -30.5 21.8 88.1 74.1 58 61 A D T <45S- 0 0 77 -3,-1.2 -2,-0.2 2,-0.1 -1,-0.2 0.335 94.5-114.3-138.9 7.6 18.7 90.3 74.4 59 62 A N T <5 + 0 0 23 -4,-2.1 -3,-0.2 1,-0.2 2,-0.1 0.706 62.6 150.7 63.1 26.9 16.8 89.6 71.2 60 63 A T B < +B 55 0B 40 -5,-0.6 -5,-2.0 -7,-0.1 -1,-0.2 -0.446 53.7 5.7 -82.2 160.9 17.2 93.2 70.0 61 64 A G S S+ 0 0 12 73,-0.5 3,-0.2 -7,-0.2 -7,-0.2 -0.231 76.9 127.1 62.7-151.0 17.3 93.9 66.3 62 65 A G S S- 0 0 3 1,-0.2 3,-0.4 -13,-0.2 5,-0.4 -0.128 75.0 -69.1 86.1 172.7 16.6 90.9 63.9 63 66 A S S > S+ 0 0 3 206,-0.5 3,-0.8 203,-0.3 -1,-0.2 0.671 106.9 85.7 -70.7 -21.5 14.1 90.5 61.0 64 67 A Y T 3 S+ 0 0 22 205,-0.4 38,-0.4 1,-0.2 64,-0.3 0.871 90.2 41.6 -55.8 -48.2 10.9 90.5 63.0 65 68 A G T 3 S- 0 0 5 -3,-0.4 65,-1.8 -4,-0.2 -1,-0.2 0.585 89.4-136.4 -84.6 -8.9 10.2 94.2 63.4 66 69 A G X + 0 0 3 -3,-0.8 3,-1.3 -4,-0.3 -3,-0.1 0.854 43.2 160.4 59.9 39.7 11.0 95.4 59.9 67 70 A T G > + 0 0 5 -5,-0.4 3,-2.8 1,-0.3 6,-0.4 0.614 48.6 88.4 -76.1 -10.3 12.8 98.4 61.4 68 71 A Y G 3 S+ 0 0 2 1,-0.3 6,-0.3 5,-0.2 -1,-0.3 0.773 76.2 72.6 -51.9 -30.7 14.8 99.2 58.3 69 72 A R G < S+ 0 0 61 -3,-1.3 2,-0.3 4,-0.1 -1,-0.3 0.649 83.8 84.3 -63.2 -13.0 11.8 101.4 57.3 70 73 A F S X> S- 0 0 34 -3,-2.8 4,-2.5 1,-0.1 3,-0.8 -0.763 88.5-121.1 -96.0 146.1 12.9 103.8 60.0 71 74 A K H 3> S+ 0 0 124 -2,-0.3 4,-2.4 1,-0.3 -1,-0.1 0.770 106.1 61.5 -59.7 -34.3 15.5 106.5 59.2 72 75 A K H 34 S+ 0 0 79 1,-0.2 -1,-0.3 2,-0.2 -4,-0.1 0.941 116.1 33.7 -59.1 -41.7 18.1 105.5 61.9 73 76 A E H X4 S+ 0 0 3 -3,-0.8 3,-1.7 -6,-0.4 -2,-0.2 0.876 116.4 51.8 -82.8 -42.2 18.4 102.1 60.3 74 77 A F H 3< S+ 0 0 70 -4,-2.5 -1,-0.2 -7,-0.3 -2,-0.2 0.845 113.1 49.3 -68.9 -23.6 18.0 103.0 56.6 75 78 A N T 3< S+ 0 0 94 -4,-2.4 -1,-0.3 -5,-0.3 -2,-0.2 0.296 77.6 128.8 -94.4 11.3 20.7 105.6 57.1 76 79 A D X - 0 0 8 -3,-1.7 3,-2.5 1,-0.2 4,-0.2 -0.478 64.3-133.5 -58.1 128.4 23.1 103.3 58.8 77 80 A P G > S+ 0 0 99 0, 0.0 3,-1.7 0, 0.0 -1,-0.2 0.845 107.1 62.5 -51.9 -33.7 26.4 103.8 56.9 78 81 A S G 3 S+ 0 0 37 1,-0.3 -2,-0.1 63,-0.0 -3,-0.0 0.681 101.0 53.4 -63.6 -20.1 26.6 100.0 56.8 79 82 A N G X S+ 0 0 0 -3,-2.5 3,-2.4 -6,-0.2 4,-0.4 0.232 74.4 145.5 -99.2 12.6 23.4 99.9 54.8 80 83 A A T < S+ 0 0 31 -3,-1.7 -5,-0.1 1,-0.3 101,-0.0 -0.310 72.2 18.2 -56.3 125.7 24.6 102.3 52.1 81 84 A G T > S+ 0 0 6 100,-0.0 3,-1.9 -2,-0.0 4,-0.4 -0.003 93.1 102.3 102.4 -23.8 23.0 101.2 48.8 82 85 A L T X> + 0 0 2 -3,-2.4 4,-2.2 1,-0.3 3,-0.8 0.716 61.8 81.1 -67.7 -15.8 20.2 99.1 50.3 83 86 A Q H 3> S+ 0 0 75 -4,-0.4 4,-2.6 1,-0.3 -1,-0.3 0.810 85.0 62.5 -57.2 -27.0 17.8 101.9 49.6 84 87 A N H <> S+ 0 0 53 -3,-1.9 4,-1.9 2,-0.2 -1,-0.3 0.903 103.9 45.7 -66.4 -38.1 17.7 100.5 46.0 85 88 A G H <> S+ 0 0 0 -3,-0.8 4,-1.9 -4,-0.4 -2,-0.2 0.903 112.6 51.1 -68.6 -38.5 16.3 97.2 47.3 86 89 A F H X S+ 0 0 60 -4,-2.2 4,-1.1 2,-0.2 -2,-0.2 0.912 109.7 48.9 -62.6 -44.5 13.8 99.1 49.4 87 90 A K H < S+ 0 0 146 -4,-2.6 3,-0.4 1,-0.2 -1,-0.2 0.894 109.0 54.4 -64.5 -39.1 12.7 101.2 46.5 88 91 A F H < S+ 0 0 3 -4,-1.9 4,-0.5 1,-0.2 -1,-0.2 0.900 110.0 47.0 -53.8 -49.7 12.3 98.0 44.4 89 92 A L H X S+ 0 0 2 -4,-1.9 4,-2.8 1,-0.2 3,-0.3 0.679 90.8 85.7 -71.8 -16.6 10.1 96.5 47.1 90 93 A E H X S+ 0 0 99 -4,-1.1 4,-2.2 -3,-0.4 -1,-0.2 0.902 90.7 44.1 -55.5 -49.5 7.9 99.6 47.4 91 94 A P H > S+ 0 0 60 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.807 112.2 55.7 -65.8 -26.5 5.5 98.8 44.6 92 95 A I H > S+ 0 0 6 -4,-0.5 4,-2.1 -3,-0.3 -2,-0.2 0.938 108.8 46.0 -65.0 -47.5 5.3 95.3 45.8 93 96 A H H < S+ 0 0 48 -4,-2.8 6,-0.2 1,-0.2 -1,-0.2 0.879 109.9 54.7 -65.1 -35.8 4.3 96.5 49.2 94 97 A K H < S+ 0 0 184 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.862 110.8 45.4 -62.8 -38.8 1.7 98.8 47.7 95 98 A E H < S+ 0 0 130 -4,-1.8 -2,-0.2 1,-0.3 -1,-0.2 0.870 126.4 30.7 -71.9 -32.1 0.2 95.9 45.8 96 99 A F >< + 0 0 21 -4,-2.1 3,-1.8 -5,-0.1 -1,-0.3 -0.604 69.5 163.8-125.0 68.0 0.2 93.7 48.9 97 100 A P T 3 + 0 0 95 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.650 66.9 70.7 -68.4 -13.6 -0.2 96.1 51.8 98 101 A W T 3 S+ 0 0 55 -3,-0.1 2,-0.2 2,-0.1 -89,-0.1 0.609 76.1 95.3 -73.4 -18.7 -1.1 93.3 54.2 99 102 A I S < S- 0 0 4 -3,-1.8 29,-0.0 -6,-0.2 -3,-0.0 -0.562 80.3-117.6 -77.7 141.8 2.4 91.8 54.3 100 103 A S > - 0 0 12 -2,-0.2 4,-2.4 27,-0.2 5,-0.1 -0.334 20.3-116.7 -71.5 160.7 4.5 92.9 57.2 101 104 A S H > S+ 0 0 8 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.924 115.5 48.6 -62.2 -45.5 7.8 94.8 56.4 102 105 A G H > S+ 0 0 1 -38,-0.4 4,-2.2 2,-0.2 5,-0.3 0.900 110.8 50.8 -63.9 -40.7 9.9 92.1 57.9 103 106 A D H > S+ 0 0 0 24,-0.2 4,-2.6 -39,-0.2 -2,-0.2 0.944 113.0 46.6 -62.4 -39.9 8.1 89.5 56.0 104 107 A L H X S+ 0 0 1 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.932 112.3 48.1 -71.0 -45.7 8.6 91.5 52.8 105 108 A F H X S+ 0 0 3 -4,-3.0 4,-1.2 2,-0.2 -1,-0.2 0.928 117.4 42.2 -60.6 -43.1 12.3 92.2 53.3 106 109 A S H X S+ 0 0 0 -4,-2.2 4,-2.0 -5,-0.2 3,-0.4 0.928 113.2 52.3 -70.6 -39.8 13.1 88.6 54.2 107 110 A L H X S+ 0 0 0 -4,-2.6 4,-3.1 -5,-0.3 5,-0.3 0.859 102.6 60.6 -63.7 -34.0 10.9 87.2 51.4 108 111 A G H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.901 106.1 47.2 -57.4 -41.0 12.8 89.5 48.9 109 112 A G H X S+ 0 0 0 -4,-1.2 4,-2.5 -3,-0.4 -2,-0.2 0.896 112.8 47.4 -67.0 -45.5 16.0 87.7 49.8 110 113 A V H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 5,-0.2 0.931 113.5 48.7 -57.6 -48.7 14.5 84.2 49.5 111 114 A T H X S+ 0 0 0 -4,-3.1 4,-3.1 1,-0.2 5,-0.2 0.927 111.3 50.0 -62.6 -44.9 12.9 85.2 46.2 112 115 A A H X S+ 0 0 0 -4,-2.5 4,-2.1 -5,-0.3 6,-0.2 0.937 110.7 48.5 -58.7 -47.5 16.1 86.6 44.9 113 116 A V H <>S+ 0 0 0 -4,-2.5 5,-2.3 1,-0.2 82,-0.3 0.950 116.3 43.4 -58.0 -48.6 18.2 83.5 45.8 114 117 A Q H ><5S+ 0 0 4 -4,-2.4 3,-1.7 1,-0.2 -2,-0.2 0.920 112.4 50.3 -66.9 -42.9 15.7 81.2 44.2 115 118 A E H 3<5S+ 0 0 46 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.814 104.6 60.2 -66.9 -27.6 15.1 83.2 41.1 116 119 A M T 3<5S- 0 0 15 -4,-2.1 79,-2.7 -5,-0.2 -1,-0.3 0.221 127.9-101.1 -81.3 16.7 18.9 83.4 40.6 117 120 A Q T < 5S+ 0 0 117 -3,-1.7 -3,-0.2 77,-0.2 -2,-0.2 0.690 79.4 138.6 75.4 21.6 18.9 79.5 40.5 118 121 A G < - 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0 0 6 -5,-2.4 -1,-0.2 -8,-0.1 -2,-0.1 -0.909 34.5-152.8-108.6 137.0 26.3 81.1 63.8 161 164 A N > - 0 0 87 -2,-0.4 4,-2.7 -5,-0.0 5,-0.2 -0.247 40.3 -83.3 -93.0-177.6 29.1 78.5 63.9 162 165 A D H > S+ 0 0 40 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.893 128.3 47.0 -57.5 -44.7 32.0 78.1 61.5 163 166 A R H > S+ 0 0 81 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.901 112.8 49.5 -63.2 -43.0 30.1 76.1 58.9 164 167 A E H > S+ 0 0 40 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.891 111.8 49.2 -64.0 -40.0 27.2 78.5 59.0 165 168 A V H X S+ 0 0 1 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.946 112.5 45.7 -64.4 -49.2 29.5 81.5 58.6 166 169 A V H X S+ 0 0 0 -4,-2.6 4,-0.6 -5,-0.2 -2,-0.2 0.931 114.7 49.3 -63.1 -39.3 31.4 80.0 55.6 167 170 A A H >< S+ 0 0 1 -4,-2.6 3,-1.4 1,-0.2 4,-0.3 0.935 111.1 48.7 -60.5 -49.8 28.1 79.0 54.0 168 171 A L H >< S+ 0 0 18 -4,-2.8 3,-1.9 1,-0.3 -1,-0.2 0.872 103.0 61.5 -61.9 -36.1 26.6 82.4 54.4 169 172 A M H >< S+ 0 0 19 -4,-2.4 3,-2.3 1,-0.3 -1,-0.3 0.682 83.7 80.5 -64.3 -20.3 29.6 84.1 53.0 170 173 A G G X< S+ 0 0 0 -3,-1.4 3,-1.9 -4,-0.6 29,-0.3 0.661 72.5 78.8 -58.4 -18.1 29.1 82.2 49.7 171 174 A A G X S+ 0 0 19 -3,-1.9 3,-2.1 1,-0.3 -1,-0.3 0.689 71.5 82.3 -63.0 -16.4 26.4 84.9 49.0 172 175 A H G < + 0 0 39 -3,-2.3 16,-0.3 1,-0.3 -1,-0.3 0.479 68.6 81.0 -72.0 2.7 29.4 87.0 48.0 173 176 A A G < S+ 0 0 1 -3,-1.9 -1,-0.3 23,-0.2 2,-0.2 0.803 86.0 81.6 -61.1 -28.6 29.3 85.3 44.7 174 177 A L S < S- 0 0 9 -3,-2.1 19,-0.2 -4,-0.2 18,-0.1 -0.560 96.3 -25.3 -87.6 145.2 26.5 87.7 44.0 175 178 A G S S- 0 0 3 17,-3.0 13,-0.5 -2,-0.2 14,-0.3 -0.253 78.2 -94.4 68.0-143.0 26.7 91.4 42.9 176 179 A K - 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