==== 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 06-MAR-10 3M28 . 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) . 13001.0 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 . 42 14.4 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 0 131 0, 0.0 2,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 119.2 11.4 90.5 74.5 2 5 A V - 0 0 107 2,-0.0 2,-0.7 269,-0.0 269,-0.1 -0.912 360.0-156.6-102.0 130.1 9.7 87.5 72.8 3 6 A H E -a 271 0A 25 267,-0.6 269,-3.2 -2,-0.5 2,-0.5 -0.905 10.8-163.0-112.4 102.5 8.6 88.0 69.2 4 7 A V E -a 272 0A 70 -2,-0.7 269,-0.2 267,-0.2 2,-0.1 -0.728 22.9-118.3 -91.2 126.2 5.8 85.6 68.4 5 8 A A - 0 0 11 267,-2.7 2,-0.4 -2,-0.5 122,-0.2 -0.406 30.1-168.4 -59.6 133.2 5.1 85.0 64.7 6 9 A S - 0 0 74 120,-2.4 120,-0.2 -2,-0.1 3,-0.1 -0.963 20.7-127.3-134.0 109.4 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 -0.333 34.4-100.5 -61.5 131.0 0.3 85.0 60.5 8 11 A E > - 0 0 18 1,-0.2 3,-2.7 2,-0.1 -1,-0.1 -0.298 64.1 -79.1 -53.5 133.5 -1.1 87.9 58.4 9 12 A K T 3 S- 0 0 200 1,-0.3 -1,-0.2 89,-0.1 3,-0.1 -0.144 106.2 -11.8 -58.9 122.7 -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 0.377 99.0 138.3 80.5 -1.6 -6.4 84.9 56.8 11 14 A R < + 0 0 80 -3,-2.7 -1,-0.2 3,-0.1 2,-0.2 -0.474 24.3 172.9 -84.1 151.4 -3.3 84.5 54.6 12 15 A S >> - 0 0 61 -2,-0.2 4,-1.6 -3,-0.1 3,-1.1 -0.742 51.4 -68.2-141.7-174.5 -1.9 81.2 53.4 13 16 A Y H 3> S+ 0 0 65 1,-0.3 4,-2.4 -2,-0.2 5,-0.2 0.848 125.6 56.8 -51.3 -41.4 0.7 79.8 51.1 14 17 A E H 3> S+ 0 0 113 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.845 103.7 53.7 -63.5 -33.9 -1.0 81.0 47.9 15 18 A D H <> S+ 0 0 20 -3,-1.1 4,-1.5 2,-0.2 -1,-0.2 0.933 112.2 43.8 -61.3 -47.0 -1.0 84.6 49.1 16 19 A F H X S+ 0 0 0 -4,-1.6 4,-2.9 2,-0.2 -2,-0.2 0.847 108.3 57.7 -70.1 -31.5 2.7 84.5 49.8 17 20 A Q H X S+ 0 0 13 -4,-2.4 4,-2.9 -5,-0.2 -1,-0.2 0.888 104.6 53.6 -64.5 -35.8 3.4 82.8 46.4 18 21 A K H X S+ 0 0 104 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.904 110.2 46.1 -62.8 -39.8 1.6 85.7 44.8 19 22 A V H X S+ 0 0 0 -4,-1.5 4,-2.5 2,-0.2 -2,-0.2 0.930 112.5 50.7 -66.8 -45.7 4.0 88.1 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 50.3 -46.6 -53.3 7.0 85.9 45.6 21 24 A N H X S+ 0 0 22 -4,-2.9 4,-2.7 1,-0.2 -1,-0.2 0.884 107.8 50.8 -63.9 -37.0 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 0.918 112.7 47.3 -66.8 -39.3 5.4 89.7 41.9 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 48.2 -61.1 -46.6 9.0 90.1 43.3 24 27 A A H X S+ 0 0 1 -4,-3.0 4,-1.9 1,-0.2 -2,-0.2 0.871 110.7 50.1 -65.4 -38.8 10.2 87.5 40.8 25 28 A L H X S+ 0 0 78 -4,-2.7 4,-2.2 -5,-0.2 -1,-0.2 0.886 111.6 48.6 -68.4 -36.5 8.5 89.2 37.8 26 29 A K H X S+ 0 0 52 -4,-2.1 4,-2.9 2,-0.2 -2,-0.2 0.871 107.8 55.5 -72.8 -31.6 9.9 92.6 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 44.9 -62.2 -39.6 13.3 91.0 39.1 28 31 A R H < S+ 0 0 128 -4,-1.9 3,-0.3 -5,-0.2 -2,-0.2 0.918 117.9 43.3 -67.3 -43.0 13.0 89.8 35.6 29 32 A E H < S+ 0 0 137 -4,-2.2 2,-1.7 1,-0.2 3,-0.2 0.884 106.5 57.9 -72.0 -45.0 11.6 93.1 34.2 30 33 A D >< + 0 0 32 -4,-2.9 3,-0.6 1,-0.2 9,-0.4 -0.399 67.1 141.9 -88.4 62.2 13.9 95.6 36.0 31 34 A D T 3 + 0 0 82 -2,-1.7 -1,-0.2 -3,-0.3 -2,-0.1 0.580 49.1 72.7 -89.0 -8.5 17.0 94.1 34.5 32 35 A E T 3> + 0 0 85 -3,-0.2 4,-2.2 5,-0.1 3,-0.4 0.725 66.4 119.5 -76.6 -27.1 19.1 97.2 33.9 33 36 A Y H <>>S+ 0 0 24 -3,-0.6 5,-3.0 1,-0.2 4,-0.9 -0.045 80.0 7.0 -51.9 135.6 20.0 98.0 37.5 34 37 A D H >45S- 0 0 31 1,-0.2 3,-1.3 2,-0.2 -1,-0.2 0.952 139.3 -47.8 60.9 52.5 23.6 98.0 38.4 35 38 A N H 345S- 0 0 150 -3,-0.4 -1,-0.2 1,-0.3 -2,-0.2 0.896 113.1 -49.7 52.0 46.4 25.0 97.6 34.9 36 39 A Y H 3<5S+ 0 0 157 -4,-2.2 -1,-0.3 1,-0.1 -2,-0.2 0.571 110.2 117.8 70.7 18.9 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 0.894 66.3-151.2 -70.2 -34.2 23.4 92.8 37.3 38 41 A G < - 0 0 8 -5,-3.0 4,-0.4 1,-0.2 -7,-0.1 -0.180 29.6 -67.3 81.7 175.2 19.7 93.4 38.3 39 42 A Y S > S+ 0 0 33 -9,-0.4 4,-2.3 -12,-0.2 5,-0.2 0.403 102.0 98.3 -83.6 -1.7 18.3 93.6 41.8 40 43 A G H > S+ 0 0 4 -3,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.958 85.6 43.0 -54.0 -56.2 18.9 90.0 42.9 41 44 A P H > S+ 0 0 14 0, 0.0 4,-2.7 0, 0.0 -1,-0.2 0.925 113.7 49.5 -59.6 -46.3 22.1 90.6 44.8 42 45 A V H > S+ 0 0 13 -4,-0.4 4,-2.5 1,-0.2 -2,-0.2 0.861 109.9 53.0 -68.8 -27.0 21.0 93.8 46.6 43 46 A L H X S+ 0 0 1 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.892 109.0 49.1 -69.3 -36.8 17.7 92.0 47.6 44 47 A V H X S+ 0 0 8 -4,-2.1 4,-2.1 -5,-0.2 -2,-0.2 0.927 113.0 47.4 -64.1 -45.0 19.7 89.2 49.1 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 54.5 -65.0 -36.9 21.9 91.7 50.9 46 49 A L H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 5,-0.2 0.942 108.2 49.2 -59.2 -47.2 18.8 93.6 52.1 47 50 A A H X S+ 0 0 0 -4,-2.3 4,-1.0 1,-0.2 -1,-0.2 0.914 114.4 46.4 -56.9 -41.8 17.4 90.4 53.6 48 51 A W H X S+ 0 0 39 -4,-2.1 4,-2.9 2,-0.2 3,-0.4 0.936 113.2 46.1 -69.0 -45.2 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 0.832 111.0 52.4 -69.6 -31.6 21.2 93.3 56.7 50 53 A T H < S+ 0 0 6 -4,-2.5 -1,-0.2 -5,-0.3 17,-0.2 0.766 120.2 36.3 -73.1 -20.2 17.6 93.5 58.0 51 54 A S H >< S+ 0 0 0 -4,-1.0 3,-1.4 -3,-0.4 12,-0.3 0.762 105.5 69.2 -94.0 -31.4 18.2 90.2 59.8 52 55 A G T 3< S+ 0 0 0 -4,-2.9 -2,-0.1 1,-0.3 -3,-0.1 0.379 77.2 77.2 -81.3 0.8 21.8 90.6 60.8 53 56 A T T 3 S+ 0 0 3 -4,-0.4 -1,-0.3 -3,-0.1 -2,-0.1 0.436 71.7 124.5 -77.3 -4.0 21.3 93.3 63.4 54 57 A W < - 0 0 23 -3,-1.4 2,-0.5 7,-0.2 7,-0.2 -0.286 47.3-160.4 -62.4 144.9 20.1 90.6 65.7 55 58 A D B >>> -B 60 0B 30 5,-2.0 4,-2.1 1,-0.1 3,-1.2 -0.974 6.9-157.9-122.7 112.7 21.7 90.1 69.1 56 59 A K T 345S+ 0 0 86 101,-2.2 -1,-0.1 -2,-0.5 102,-0.1 0.732 86.8 68.8 -60.9 -23.3 21.1 86.7 70.6 57 60 A H T 345S+ 0 0 137 100,-0.2 -1,-0.3 1,-0.2 -3,-0.0 0.829 123.9 2.5 -71.3 -30.5 21.8 88.1 74.0 58 61 A D T <45S- 0 0 77 -3,-1.2 -2,-0.2 2,-0.1 -1,-0.2 0.339 94.3-114.8-139.2 9.0 18.7 90.2 74.3 59 62 A N T <5 + 0 0 23 -4,-2.1 -3,-0.2 1,-0.2 2,-0.1 0.704 62.3 150.7 62.4 25.9 16.8 89.6 71.1 60 63 A T B < +B 55 0B 38 -5,-0.6 -5,-2.0 -7,-0.1 -1,-0.2 -0.440 53.8 5.6 -81.3 161.3 17.2 93.1 69.9 61 64 A G S S+ 0 0 12 73,-0.5 3,-0.2 -7,-0.2 4,-0.2 -0.249 76.9 127.2 62.2-151.1 17.3 93.8 66.2 62 65 A G S S- 0 0 3 -13,-0.2 3,-0.4 1,-0.2 5,-0.4 -0.122 74.9 -69.1 87.7 172.3 16.6 90.9 63.8 63 66 A S S > S+ 0 0 4 206,-0.5 3,-0.8 203,-0.3 -1,-0.2 0.675 106.7 86.1 -71.0 -21.3 14.1 90.5 60.9 64 67 A Y T 3 S+ 0 0 22 205,-0.4 38,-0.4 1,-0.2 64,-0.3 0.880 90.2 41.0 -55.7 -47.7 10.9 90.4 63.0 65 68 A G T 3 S- 0 0 5 -3,-0.4 65,-1.8 -4,-0.2 -1,-0.2 0.603 89.4-135.8 -86.8 -6.8 10.1 94.1 63.3 66 69 A G X + 0 0 3 -3,-0.8 3,-1.4 -4,-0.3 -3,-0.1 0.849 43.2 160.6 59.3 39.5 11.0 95.3 59.8 67 70 A T G > + 0 0 5 -5,-0.4 3,-2.7 1,-0.3 6,-0.4 0.599 49.0 88.4 -75.5 -10.2 12.8 98.3 61.3 68 71 A Y G 3 S+ 0 0 2 1,-0.3 -1,-0.3 5,-0.2 6,-0.3 0.765 76.3 72.5 -53.6 -29.8 14.8 99.1 58.2 69 72 A R G < S+ 0 0 61 -3,-1.4 2,-0.3 4,-0.1 -1,-0.3 0.646 83.8 84.1 -64.0 -12.9 11.8 101.3 57.2 70 73 A F S X> S- 0 0 33 -3,-2.7 4,-2.5 1,-0.1 3,-0.8 -0.748 88.6-121.1 -95.7 146.5 12.9 103.8 59.9 71 74 A K H 3> S+ 0 0 124 -2,-0.3 4,-2.3 1,-0.3 -1,-0.1 0.773 105.9 61.5 -60.6 -33.7 15.5 106.4 59.2 72 75 A K H 34 S+ 0 0 81 1,-0.2 -1,-0.3 2,-0.2 -4,-0.1 0.941 115.8 33.9 -59.4 -41.4 18.1 105.4 61.8 73 76 A E H X4 S+ 0 0 3 -3,-0.8 3,-1.7 -6,-0.4 -2,-0.2 0.878 116.4 51.7 -82.6 -40.9 18.4 102.0 60.2 74 77 A F H 3< S+ 0 0 68 -4,-2.5 -1,-0.2 -7,-0.3 -2,-0.2 0.840 113.0 49.6 -69.6 -23.3 17.9 102.9 56.5 75 78 A N T 3< S+ 0 0 94 -4,-2.3 -1,-0.3 -5,-0.3 -2,-0.2 0.300 77.5 128.8 -94.5 11.7 20.6 105.5 57.0 76 79 A D X - 0 0 8 -3,-1.7 3,-2.5 1,-0.2 4,-0.1 -0.482 64.1-133.9 -58.5 128.6 23.1 103.2 58.7 77 80 A P G > S+ 0 0 97 0, 0.0 3,-1.7 0, 0.0 -1,-0.2 0.845 107.1 62.7 -52.8 -32.9 26.4 103.7 56.8 78 81 A S G 3 S+ 0 0 37 1,-0.3 -2,-0.1 63,-0.0 -3,-0.0 0.673 101.1 52.8 -64.0 -19.0 26.6 99.9 56.7 79 82 A N G X S+ 0 0 0 -3,-2.5 3,-2.4 -6,-0.2 4,-0.4 0.230 74.7 145.7 -99.9 12.6 23.4 99.8 54.7 80 83 A A T < S+ 0 0 30 -3,-1.7 -5,-0.1 1,-0.3 101,-0.0 -0.320 72.2 18.5 -57.3 126.4 24.5 102.3 52.0 81 84 A G T > S+ 0 0 6 101,-0.0 3,-1.9 -2,-0.0 4,-0.4 -0.018 93.0 102.2 102.4 -23.9 23.0 101.2 48.7 82 85 A L T X> + 0 0 2 -3,-2.4 4,-2.2 1,-0.3 3,-0.8 0.720 61.9 81.3 -68.5 -16.2 20.2 99.0 50.2 83 86 A Q H 3> S+ 0 0 74 -4,-0.4 4,-2.5 1,-0.3 -1,-0.3 0.800 85.0 62.3 -55.4 -28.3 17.8 101.9 49.5 84 87 A N H <> S+ 0 0 52 -3,-1.9 4,-1.8 2,-0.2 -1,-0.3 0.900 104.1 45.6 -65.6 -38.7 17.7 100.4 46.0 85 88 A G H <> S+ 0 0 0 -3,-0.8 4,-1.9 -4,-0.4 -2,-0.2 0.896 112.6 51.2 -67.8 -38.8 16.3 97.2 47.3 86 89 A F H X S+ 0 0 60 -4,-2.2 4,-1.2 1,-0.2 -2,-0.2 0.916 109.8 48.7 -62.7 -45.3 13.8 99.0 49.4 87 90 A K H < S+ 0 0 144 -4,-2.5 3,-0.4 1,-0.2 -1,-0.2 0.901 108.8 54.8 -64.4 -38.7 12.6 101.1 46.4 88 91 A F H < S+ 0 0 3 -4,-1.8 4,-0.5 1,-0.2 -1,-0.2 0.907 110.1 46.8 -54.0 -50.3 12.3 97.9 44.3 89 92 A L H X S+ 0 0 2 -4,-1.9 4,-2.9 1,-0.2 3,-0.3 0.675 90.8 85.6 -71.9 -16.0 10.1 96.4 47.0 90 93 A E H X S+ 0 0 98 -4,-1.2 4,-2.2 -3,-0.4 -1,-0.2 0.907 90.8 44.1 -56.4 -49.0 7.9 99.5 47.3 91 94 A P H > S+ 0 0 60 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.821 112.1 55.7 -66.3 -26.5 5.5 98.8 44.5 92 95 A I H > S+ 0 0 6 -4,-0.5 4,-2.1 -3,-0.3 -2,-0.2 0.941 109.0 46.2 -64.1 -47.7 5.3 95.2 45.8 93 96 A H H < S+ 0 0 48 -4,-2.9 6,-0.2 1,-0.2 -1,-0.2 0.873 109.8 54.6 -64.3 -35.5 4.3 96.4 49.2 94 97 A K H < S+ 0 0 184 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.858 110.8 45.2 -64.5 -37.5 1.8 98.8 47.6 95 98 A E H < S+ 0 0 129 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.864 126.5 31.0 -72.3 -32.3 0.2 95.8 45.7 96 99 A F >< + 0 0 21 -4,-2.1 3,-1.9 -5,-0.1 -1,-0.3 -0.594 69.2 163.3-125.3 68.0 0.2 93.7 48.8 97 100 A P T 3 + 0 0 94 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.646 66.8 70.7 -68.6 -13.6 -0.2 96.0 51.7 98 101 A W T 3 S+ 0 0 55 -3,-0.1 2,-0.2 2,-0.1 -89,-0.1 0.614 76.4 95.5 -73.5 -18.2 -1.1 93.3 54.1 99 102 A I S < S- 0 0 4 -3,-1.9 -3,-0.0 -6,-0.2 2,-0.0 -0.552 80.3-117.4 -78.6 142.4 2.3 91.7 54.2 100 103 A S > - 0 0 12 -2,-0.2 4,-2.5 27,-0.2 5,-0.1 -0.349 20.1-117.2 -71.3 160.5 4.5 92.9 57.1 101 104 A S H > S+ 0 0 8 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.926 115.3 48.5 -62.8 -44.7 7.8 94.8 56.3 102 105 A G H > S+ 0 0 1 -38,-0.4 4,-2.2 2,-0.2 5,-0.3 0.896 110.9 50.7 -64.4 -40.1 9.9 92.0 57.9 103 106 A D H > S+ 0 0 0 24,-0.2 4,-2.6 -39,-0.2 -1,-0.2 0.942 113.1 46.6 -62.5 -40.3 8.1 89.4 55.9 104 107 A L H X S+ 0 0 1 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.937 112.3 48.0 -69.8 -45.9 8.6 91.4 52.7 105 108 A F H X S+ 0 0 3 -4,-3.0 4,-1.2 2,-0.2 -1,-0.2 0.923 117.5 42.3 -60.9 -43.9 12.3 92.1 53.2 106 109 A S H X S+ 0 0 0 -4,-2.2 4,-1.9 -5,-0.2 3,-0.4 0.926 113.2 51.9 -69.8 -40.4 13.1 88.5 54.1 107 110 A L H X S+ 0 0 0 -4,-2.6 4,-3.1 -5,-0.3 5,-0.3 0.856 102.7 60.9 -64.3 -33.1 10.9 87.2 51.3 108 111 A G H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.902 106.2 47.0 -58.0 -40.4 12.7 89.4 48.9 109 112 A G H X S+ 0 0 0 -4,-1.2 4,-2.6 -3,-0.4 -2,-0.2 0.895 112.8 47.2 -68.6 -44.8 16.0 87.6 49.7 110 113 A V H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 5,-0.2 0.931 113.5 49.0 -57.6 -48.1 14.5 84.2 49.4 111 114 A T H X S+ 0 0 0 -4,-3.1 4,-3.1 1,-0.2 5,-0.2 0.928 111.4 49.7 -61.9 -46.2 12.9 85.1 46.1 112 115 A A H X S+ 0 0 0 -4,-2.5 4,-2.2 -5,-0.3 6,-0.2 0.936 110.8 48.6 -58.4 -47.9 16.1 86.5 44.8 113 116 A V H <>S+ 0 0 0 -4,-2.6 5,-2.3 1,-0.2 82,-0.3 0.955 116.3 43.2 -57.7 -47.1 18.2 83.5 45.7 114 117 A Q H ><5S+ 0 0 4 -4,-2.4 3,-1.8 1,-0.2 -2,-0.2 0.925 112.3 50.6 -68.9 -42.0 15.7 81.1 44.1 115 118 A E H 3<5S+ 0 0 46 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.816 104.4 60.1 -67.2 -28.0 15.1 83.1 41.0 116 119 A M T 3<5S- 0 0 15 -4,-2.2 79,-2.7 -5,-0.2 -1,-0.3 0.218 127.8-101.3 -80.8 17.0 18.9 83.3 40.6 117 120 A Q T < 5S+ 0 0 116 -3,-1.8 -3,-0.2 77,-0.2 -2,-0.2 0.688 79.3 138.2 75.0 21.5 18.9 79.5 40.4 118 121 A G < - 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