==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-APR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 14-MAR-13 4JMT . COMPND 2 MOLECULE: CYTOCHROME C PEROXIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR S.BARELIER,M.FISCHER . 289 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12944.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 183 63.3 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 . 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 . 9 3.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 43 14.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 103 35.6 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 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 0 135 0, 0.0 2,-0.5 0, 0.0 267,-0.0 0.000 360.0 360.0 360.0 114.8 11.7 89.8 74.9 2 5 A V - 0 0 108 2,-0.0 2,-0.6 267,-0.0 267,-0.1 -0.955 360.0-168.0-112.6 126.5 9.5 87.2 73.3 3 6 A H E -a 269 0A 29 265,-0.6 267,-3.5 -2,-0.5 2,-0.5 -0.930 9.9-161.6-112.6 107.6 8.3 87.6 69.7 4 7 A V E -a 270 0A 69 -2,-0.6 267,-0.2 265,-0.2 2,-0.1 -0.770 21.9-119.1 -94.5 125.7 5.5 85.2 68.8 5 8 A A - 0 0 9 265,-2.9 2,-0.4 -2,-0.5 122,-0.2 -0.380 30.0-169.6 -58.0 133.1 4.8 84.6 65.2 6 9 A S - 0 0 74 120,-2.7 120,-0.2 -2,-0.1 3,-0.1 -0.958 21.2-126.8-131.7 112.5 1.3 85.6 64.3 7 10 A V - 0 0 51 -2,-0.4 3,-0.2 118,-0.1 121,-0.0 -0.342 34.5-101.0 -61.4 129.9 -0.1 84.5 60.9 8 11 A E > - 0 0 22 1,-0.2 3,-2.6 2,-0.1 -1,-0.1 -0.309 64.2 -79.5 -49.7 128.8 -1.5 87.4 58.8 9 12 A K T 3 S- 0 0 200 1,-0.3 -1,-0.2 89,-0.1 3,-0.1 -0.034 105.6 -11.5 -51.9 123.3 -5.2 86.9 59.3 10 13 A G T 3 S+ 0 0 76 1,-0.2 -1,-0.3 -3,-0.2 2,-0.2 0.428 98.9 138.0 75.9 0.3 -6.7 84.2 57.2 11 14 A R < + 0 0 83 -3,-2.6 2,-0.2 3,-0.1 -1,-0.2 -0.492 24.2 171.2 -84.9 149.5 -3.6 83.9 55.0 12 15 A S >> - 0 0 53 -2,-0.2 4,-1.6 -3,-0.1 3,-0.9 -0.757 51.4 -65.8-140.9-174.0 -2.1 80.6 53.7 13 16 A Y H 3> S+ 0 0 67 1,-0.3 4,-2.6 -2,-0.2 5,-0.2 0.863 126.0 55.4 -44.8 -49.6 0.5 79.2 51.4 14 17 A E H 3> S+ 0 0 119 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.856 104.2 54.3 -60.5 -37.1 -1.2 80.4 48.2 15 18 A D H <> S+ 0 0 18 -3,-0.9 4,-1.5 1,-0.2 -1,-0.2 0.934 112.3 43.1 -59.9 -46.3 -1.3 84.0 49.5 16 19 A F H X S+ 0 0 0 -4,-1.6 4,-3.0 1,-0.2 -2,-0.2 0.851 108.5 57.9 -73.2 -31.0 2.5 84.0 50.1 17 20 A Q H X S+ 0 0 13 -4,-2.6 4,-2.8 -5,-0.2 -1,-0.2 0.877 104.9 53.3 -63.3 -35.3 3.1 82.2 46.8 18 21 A K H X S+ 0 0 115 -4,-1.8 4,-2.1 -5,-0.2 -2,-0.2 0.904 109.7 46.7 -64.8 -39.6 1.3 85.1 45.1 19 22 A V H X S+ 0 0 0 -4,-1.5 4,-2.4 2,-0.2 -2,-0.2 0.936 112.1 51.0 -65.5 -47.8 3.7 87.6 46.9 20 23 A Y H X S+ 0 0 0 -4,-3.0 4,-2.9 1,-0.2 -2,-0.2 0.930 110.3 49.7 -49.4 -51.1 6.7 85.4 45.9 21 24 A N H X S+ 0 0 22 -4,-2.8 4,-2.8 1,-0.2 -1,-0.2 0.887 108.7 51.7 -61.7 -39.6 5.5 85.5 42.3 22 25 A A H X S+ 0 0 14 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.927 112.6 45.7 -63.1 -45.2 5.1 89.2 42.3 23 26 A I H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.929 114.8 48.3 -59.7 -46.8 8.6 89.7 43.6 24 27 A A H X S+ 0 0 1 -4,-2.9 4,-1.7 1,-0.2 -2,-0.2 0.860 109.8 51.0 -65.1 -38.7 9.9 87.1 41.1 25 28 A L H X S+ 0 0 78 -4,-2.8 4,-2.1 2,-0.2 -1,-0.2 0.885 111.5 48.2 -67.2 -37.1 8.1 88.7 38.1 26 29 A K H X S+ 0 0 53 -4,-1.9 4,-2.9 2,-0.2 -2,-0.2 0.848 106.9 56.5 -71.4 -33.9 9.5 92.1 39.1 27 30 A L H < S+ 0 0 23 -4,-2.1 12,-0.3 1,-0.2 -1,-0.2 0.894 111.7 43.7 -60.2 -39.6 13.0 90.6 39.4 28 31 A R H < S+ 0 0 128 -4,-1.7 3,-0.4 -5,-0.1 -2,-0.2 0.886 117.0 46.7 -72.2 -38.5 12.6 89.4 35.8 29 32 A E H < S+ 0 0 136 -4,-2.1 2,-1.7 1,-0.2 3,-0.2 0.929 107.1 53.2 -71.1 -50.2 11.2 92.7 34.6 30 33 A D >< + 0 0 33 -4,-2.9 3,-0.7 1,-0.2 9,-0.4 -0.408 68.4 143.0 -88.1 62.5 13.6 95.2 36.2 31 34 A D T 3 + 0 0 77 -2,-1.7 -1,-0.2 -3,-0.4 7,-0.1 0.575 52.4 72.0 -83.6 -10.1 16.7 93.5 34.7 32 35 A E T 3> + 0 0 97 -3,-0.2 4,-2.2 4,-0.1 3,-0.4 0.722 67.2 122.5 -79.4 -21.8 18.7 96.7 34.0 33 36 A Y H <>>S+ 0 0 41 -3,-0.7 5,-2.6 1,-0.2 4,-1.1 -0.050 79.3 2.5 -51.6 136.6 19.5 97.5 37.6 34 37 A D H >45S- 0 0 45 1,-0.2 3,-1.0 2,-0.2 -1,-0.2 0.940 139.6 -44.2 53.9 56.9 23.2 97.7 38.6 35 38 A N H 345S- 0 0 140 -3,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.891 114.5 -50.8 56.3 42.9 24.6 97.2 35.1 36 39 A Y H 3<5S+ 0 0 146 -4,-2.2 -1,-0.2 1,-0.1 -2,-0.2 0.641 109.0 118.2 69.4 19.6 22.2 94.3 34.5 37 40 A I T <<5 - 0 0 4 -4,-1.1 3,-0.3 -3,-1.0 -3,-0.2 0.847 65.8-150.0 -70.9 -35.2 22.9 92.4 37.7 38 41 A G < - 0 0 7 -5,-2.6 4,-0.4 1,-0.2 -7,-0.1 -0.203 30.7 -67.3 81.5 177.8 19.3 92.9 38.6 39 42 A Y S > S+ 0 0 39 -9,-0.4 4,-2.1 -12,-0.3 5,-0.2 0.423 102.8 98.6 -87.6 -0.1 17.9 93.2 42.1 40 43 A G H > S+ 0 0 5 -3,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.954 84.7 43.0 -52.7 -58.8 18.5 89.6 43.2 41 44 A P H > S+ 0 0 17 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.920 113.3 50.3 -60.6 -45.2 21.7 90.3 45.1 42 45 A V H > S+ 0 0 19 -4,-0.4 4,-2.5 1,-0.2 -2,-0.2 0.858 109.2 52.9 -65.2 -31.3 20.6 93.5 46.9 43 46 A L H X S+ 0 0 1 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.870 109.2 49.1 -68.1 -37.4 17.4 91.7 48.0 44 47 A V H X S+ 0 0 7 -4,-1.9 4,-2.0 -5,-0.2 -2,-0.2 0.936 112.0 48.6 -64.2 -45.7 19.4 88.9 49.5 45 48 A R H X S+ 0 0 94 -4,-2.6 4,-3.0 1,-0.2 -2,-0.2 0.903 109.5 53.5 -60.8 -40.0 21.6 91.5 51.3 46 49 A L H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 5,-0.2 0.937 107.8 49.3 -60.3 -47.1 18.5 93.3 52.5 47 50 A A H X S+ 0 0 0 -4,-2.2 4,-0.9 1,-0.2 -1,-0.2 0.892 113.9 47.2 -60.8 -38.4 17.0 90.1 54.0 48 51 A W H X S+ 0 0 40 -4,-2.0 4,-2.8 1,-0.2 3,-0.5 0.945 111.8 48.9 -69.0 -44.6 20.4 89.4 55.7 49 52 A H H < S+ 0 0 4 -4,-3.0 4,-0.3 1,-0.2 -2,-0.2 0.835 109.1 51.5 -67.5 -33.7 20.8 93.0 57.1 50 53 A I H < S+ 0 0 4 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.764 119.3 38.6 -73.7 -20.9 17.3 93.1 58.5 51 54 A S H >< S+ 0 0 1 -4,-0.9 3,-1.7 -3,-0.5 -2,-0.2 0.786 102.9 70.3 -90.3 -33.1 18.0 89.8 60.3 52 55 A G T 3< S+ 0 0 0 -4,-2.8 -2,-0.1 1,-0.3 -3,-0.1 0.433 80.1 74.7 -75.0 -1.5 21.6 90.5 61.2 53 56 A T T 3 S+ 0 0 3 -4,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.496 72.9 121.9 -79.9 -6.4 20.8 93.1 63.9 54 57 A W < - 0 0 24 -3,-1.7 2,-0.4 7,-0.2 7,-0.2 -0.224 47.7-161.0 -62.6 144.3 19.7 90.3 66.1 55 58 A D B >>> -B 60 0B 28 5,-1.9 4,-1.9 1,-0.1 3,-0.9 -0.960 8.7-157.5-127.4 113.6 21.3 89.8 69.5 56 59 A K T 345S+ 0 0 88 101,-2.2 -1,-0.1 -2,-0.4 102,-0.1 0.729 87.0 68.2 -60.3 -22.7 20.8 86.4 71.1 57 60 A H T 345S+ 0 0 140 100,-0.2 -1,-0.2 1,-0.2 -3,-0.0 0.868 124.0 2.9 -70.0 -37.7 21.5 87.8 74.5 58 61 A D T <45S- 0 0 79 -3,-0.9 -2,-0.2 2,-0.1 -1,-0.2 0.299 94.9-115.8-132.5 8.3 18.3 89.9 74.9 59 62 A N T <5 + 0 0 22 -4,-1.9 2,-0.2 1,-0.2 -3,-0.2 0.788 63.1 149.2 54.8 31.7 16.4 89.1 71.6 60 63 A T B < +B 55 0B 34 -5,-0.6 -5,-1.9 -7,-0.1 -1,-0.2 -0.532 52.2 11.0 -83.0 160.6 16.7 92.7 70.4 61 64 A G S S+ 0 0 11 73,-0.5 4,-0.2 -7,-0.2 -7,-0.2 -0.291 74.7 127.4 69.9-156.3 16.9 93.4 66.7 62 65 A G S S- 0 0 4 1,-0.2 3,-0.4 -13,-0.2 5,-0.4 -0.049 74.7 -73.4 90.2 166.5 16.1 90.5 64.3 63 66 A S S > S+ 0 0 2 204,-0.4 3,-1.3 201,-0.3 -1,-0.2 0.722 106.3 87.1 -69.3 -23.3 13.7 90.3 61.3 64 67 A Y T 3 S+ 0 0 21 203,-0.4 38,-0.4 1,-0.3 -1,-0.2 0.856 88.0 43.3 -50.5 -51.5 10.5 90.0 63.4 65 68 A G T 3 S- 0 0 4 -3,-0.4 65,-2.0 -4,-0.2 -1,-0.3 0.545 91.9-134.5 -80.1 -9.2 9.7 93.7 63.9 66 69 A G X + 0 0 3 -3,-1.3 3,-1.5 -4,-0.2 -2,-0.1 0.817 46.6 158.0 62.3 33.0 10.4 94.9 60.3 67 70 A T G > + 0 0 7 -5,-0.4 3,-2.2 1,-0.3 6,-0.4 0.572 48.6 86.5 -73.9 -10.0 12.2 97.9 61.8 68 71 A Y G 3 S+ 0 0 0 1,-0.3 -1,-0.3 5,-0.2 6,-0.2 0.769 77.5 71.5 -58.3 -23.0 14.3 98.6 58.7 69 72 A R G < S+ 0 0 73 -3,-1.5 2,-0.3 4,-0.1 -1,-0.3 0.657 84.2 87.0 -67.1 -15.0 11.3 100.8 57.6 70 73 A F S X> S- 0 0 32 -3,-2.2 4,-2.8 1,-0.1 3,-0.8 -0.691 88.0-120.5 -91.8 143.3 12.3 103.3 60.4 71 74 A K H 3> S+ 0 0 135 -2,-0.3 4,-2.7 1,-0.3 -1,-0.1 0.803 106.6 59.9 -53.3 -39.6 14.8 106.0 59.6 72 75 A K H 34 S+ 0 0 81 1,-0.2 -1,-0.3 2,-0.2 -4,-0.1 0.926 117.6 31.6 -57.1 -45.5 17.4 105.0 62.3 73 76 A E H X4 S+ 0 0 3 -3,-0.8 3,-1.6 -6,-0.4 -2,-0.2 0.894 116.5 56.2 -79.4 -42.6 17.8 101.6 60.7 74 77 A F H 3< S+ 0 0 48 -4,-2.8 -2,-0.2 -7,-0.3 -3,-0.2 0.872 111.8 46.0 -53.9 -37.4 17.2 102.7 57.1 75 78 A N T 3< S+ 0 0 102 -4,-2.7 -1,-0.3 -5,-0.3 -2,-0.2 0.317 78.3 133.3 -94.2 8.0 20.0 105.2 57.5 76 79 A D X - 0 0 8 -3,-1.6 3,-2.1 1,-0.2 4,-0.1 -0.410 60.5-135.0 -54.7 125.6 22.5 102.9 59.1 77 80 A P G > S+ 0 0 95 0, 0.0 3,-1.5 0, 0.0 -1,-0.2 0.847 107.6 61.3 -51.8 -33.8 25.8 103.4 57.3 78 81 A S G 3 S+ 0 0 37 1,-0.3 -2,-0.1 63,-0.0 -3,-0.0 0.708 101.9 53.6 -64.0 -21.2 26.1 99.6 57.2 79 82 A N G X S+ 0 0 0 -3,-2.1 3,-2.2 -6,-0.2 4,-0.4 0.257 74.7 141.7 -99.4 10.5 22.8 99.6 55.2 80 83 A A T < S+ 0 0 25 -3,-1.5 101,-0.1 1,-0.3 -5,-0.1 -0.325 71.9 21.1 -58.0 127.2 24.0 102.0 52.4 81 84 A G T > S+ 0 0 6 -2,-0.1 3,-1.5 99,-0.1 4,-0.4 0.027 93.9 99.3 103.6 -25.9 22.6 100.8 49.1 82 85 A L T X> + 0 0 1 -3,-2.2 4,-2.0 1,-0.3 3,-0.9 0.700 62.5 81.6 -68.7 -17.8 19.8 98.7 50.5 83 86 A Q H 3> S+ 0 0 68 -4,-0.4 4,-2.7 1,-0.3 -1,-0.3 0.830 85.2 60.9 -54.0 -32.0 17.4 101.6 49.8 84 87 A N H <> S+ 0 0 57 -3,-1.5 4,-1.9 2,-0.2 -1,-0.3 0.878 104.4 47.4 -61.6 -39.4 17.4 100.2 46.3 85 88 A G H <> S+ 0 0 0 -3,-0.9 4,-1.9 -4,-0.4 -2,-0.2 0.902 111.5 50.3 -67.0 -41.8 16.0 96.9 47.6 86 89 A F H X S+ 0 0 47 -4,-2.0 4,-1.0 1,-0.2 -2,-0.2 0.921 110.0 50.0 -63.1 -44.4 13.4 98.7 49.7 87 90 A K H >< S+ 0 0 125 -4,-2.7 3,-0.7 1,-0.2 -1,-0.2 0.900 107.8 54.9 -60.7 -41.4 12.3 100.8 46.7 88 91 A F H 3< S+ 0 0 3 -4,-1.9 4,-0.5 1,-0.2 -1,-0.2 0.903 109.5 47.1 -55.6 -42.8 12.0 97.6 44.7 89 92 A L H 3X S+ 0 0 3 -4,-1.9 4,-2.6 1,-0.2 -1,-0.2 0.613 89.1 87.5 -80.9 -11.8 9.7 96.1 47.3 90 93 A E H S+ 0 0 54 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.828 112.5 54.8 -66.5 -27.5 5.1 98.2 44.7 92 95 A I H > S+ 0 0 6 -4,-0.5 4,-2.2 2,-0.2 -2,-0.2 0.930 109.3 46.0 -65.6 -46.2 4.9 94.7 46.0 93 96 A H H < S+ 0 0 49 -4,-2.6 6,-0.2 1,-0.2 -1,-0.2 0.871 110.0 55.4 -65.5 -36.1 3.9 95.9 49.5 94 97 A K H < S+ 0 0 166 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.906 111.1 43.6 -60.7 -43.6 1.3 98.2 47.8 95 98 A E H < S+ 0 0 125 -4,-1.8 -2,-0.2 1,-0.3 -1,-0.2 0.841 127.6 31.0 -71.3 -33.5 -0.2 95.3 46.0 96 99 A F >< + 0 0 21 -4,-2.2 3,-1.6 -5,-0.1 -1,-0.3 -0.588 69.1 161.9-124.8 69.0 -0.1 93.1 49.1 97 100 A P T 3 + 0 0 94 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.654 66.3 71.0 -69.2 -12.6 -0.5 95.6 52.0 98 101 A W T 3 S+ 0 0 59 -3,-0.1 2,-0.2 2,-0.1 -89,-0.1 0.639 75.8 95.8 -77.8 -19.1 -1.5 92.8 54.4 99 102 A I S < S- 0 0 4 -3,-1.6 2,-0.0 -6,-0.2 -3,-0.0 -0.514 80.5-117.7 -74.6 141.9 2.0 91.3 54.6 100 103 A S > - 0 0 11 27,-0.2 4,-2.3 -2,-0.2 5,-0.1 -0.365 21.4-116.1 -73.2 160.0 4.1 92.5 57.5 101 104 A S H > S+ 0 0 7 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.925 115.4 49.2 -64.4 -45.0 7.4 94.3 56.8 102 105 A G H > S+ 0 0 0 -38,-0.4 4,-2.2 1,-0.2 5,-0.3 0.890 111.5 49.8 -61.2 -40.5 9.6 91.6 58.3 103 106 A D H > S+ 0 0 0 24,-0.2 4,-2.7 -39,-0.2 -1,-0.2 0.922 112.8 47.7 -62.5 -43.4 7.8 89.0 56.3 104 107 A L H X S+ 0 0 1 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.937 113.1 46.0 -65.3 -47.7 8.2 91.0 53.1 105 108 A F H X S+ 0 0 3 -4,-2.9 4,-1.4 2,-0.2 -1,-0.2 0.919 117.5 43.3 -63.2 -44.5 11.9 91.7 53.5 106 109 A S H X S+ 0 0 0 -4,-2.2 4,-2.1 -5,-0.2 3,-0.2 0.916 113.1 51.8 -68.8 -40.7 12.7 88.2 54.5 107 110 A L H X S+ 0 0 0 -4,-2.7 4,-3.0 -5,-0.3 5,-0.2 0.855 103.7 60.2 -63.2 -33.2 10.5 86.8 51.7 108 111 A G H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.910 106.2 46.4 -58.4 -43.2 12.3 89.1 49.3 109 112 A G H X S+ 0 0 0 -4,-1.4 4,-2.6 -3,-0.2 -2,-0.2 0.908 112.8 48.7 -66.7 -44.3 15.6 87.3 50.1 110 113 A V H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 5,-0.2 0.939 112.7 48.3 -59.4 -47.5 14.1 83.9 49.8 111 114 A T H X S+ 0 0 0 -4,-3.0 4,-3.0 1,-0.2 5,-0.3 0.935 111.4 50.0 -59.5 -47.1 12.6 84.7 46.4 112 115 A A H X S+ 0 0 0 -4,-2.5 4,-2.0 -5,-0.2 6,-0.2 0.930 110.2 49.8 -58.8 -49.0 15.8 86.2 45.1 113 116 A V H <>S+ 0 0 0 -4,-2.6 5,-2.6 1,-0.2 80,-0.2 0.951 115.9 42.5 -55.8 -48.3 17.9 83.2 46.1 114 117 A Q H ><5S+ 0 0 4 -4,-2.4 3,-1.8 1,-0.2 -2,-0.2 0.918 113.0 50.9 -68.0 -42.8 15.4 80.8 44.5 115 118 A E H 3<5S+ 0 0 47 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.803 104.0 59.5 -68.2 -26.1 14.9 82.8 41.3 116 119 A M T 3<5S- 0 0 14 -4,-2.0 77,-3.1 -5,-0.3 -1,-0.3 0.193 127.8-100.7 -84.3 18.3 18.7 83.0 41.0 117 120 A Q T < 5S+ 0 0 128 -3,-1.8 -3,-0.2 75,-0.2 -2,-0.2 0.674 79.4 138.2 73.1 21.6 18.7 79.2 40.8 118 121 A G < - 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0 0 15 -2,-0.4 4,-2.9 -10,-0.2 3,-0.3 -0.382 34.1-108.2 -67.2 157.6 36.8 91.6 51.2 228 231 A P H > S+ 0 0 19 0, 0.0 4,-1.7 0, 0.0 -83,-0.2 0.912 125.3 51.5 -55.7 -37.6 39.3 91.1 54.0 229 232 A T H 4 S+ 0 0 11 -85,-1.5 4,-0.4 2,-0.2 -84,-0.1 0.826 109.1 50.4 -68.9 -30.4 36.6 89.2 55.8 230 233 A D H >4 S+ 0 0 5 -3,-0.3 3,-1.6 -86,-0.2 4,-0.2 0.951 111.4 47.4 -65.7 -51.4 36.0 87.1 52.7 231 234 A Y H >X S+ 0 0 41 -4,-2.9 3,-2.1 1,-0.3 4,-0.7 0.795 96.7 73.2 -63.8 -26.1 39.6 86.2 52.4 232 235 A S H >X S+ 0 0 0 -4,-1.7 4,-1.9 -5,-0.3 3,-0.5 0.774 81.6 73.1 -60.0 -23.3 39.8 85.4 56.1 233 236 A L H <4 S+ 0 0 0 -3,-1.6 10,-0.3 -4,-0.4 -1,-0.3 0.681 103.4 38.5 -67.8 -16.9 37.9 82.2 55.3 234 237 A I H <4 S+ 0 0 35 -3,-2.1 -1,-0.2 -4,-0.2 -2,-0.2 0.464 110.5 60.6-107.8 -3.5 41.0 80.8 53.7 235 238 A Q H << S+ 0 0 112 -4,-0.7 -2,-0.2 -3,-0.5 -3,-0.1 0.806 94.9 68.5 -84.3 -33.8 43.4 82.3 56.3 236 239 A D S X S- 0 0 22 -4,-1.9 4,-2.7 1,-0.1 5,-0.2 -0.732 79.5-142.0 -89.5 129.6 41.9 80.4 59.2 237 240 A P H > S+ 0 0 91 0, 0.0 4,-1.4 0, 0.0 -1,-0.1 0.808 99.1 49.7 -66.9 -27.6 42.5 76.7 59.1 238 241 A K H > S+ 0 0 124 2,-0.2 4,-1.2 1,-0.2 5,-0.1 0.916 114.5 43.8 -76.4 -43.6 39.0 75.8 60.4 239 242 A Y H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 3,-0.3 0.906 109.5 59.5 -62.5 -40.5 37.2 78.0 57.9 240 243 A L H X S+ 0 0 41 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.881 100.5 53.6 -59.3 -41.9 39.5 76.8 55.1 241 244 A S H X S+ 0 0 80 -4,-1.4 4,-1.8 2,-0.2 -1,-0.2 0.896 111.6 45.9 -57.7 -41.2 38.5 73.1 55.5 242 245 A I H X S+ 0 0 14 -4,-1.2 4,-2.5 -3,-0.3 5,-0.2 0.897 108.7 55.0 -73.0 -39.4 34.8 74.1 55.1 243 246 A V H X S+ 0 0 0 -4,-2.6 4,-2.2 -10,-0.3 -2,-0.2 0.918 109.6 48.2 -54.8 -45.4 35.6 76.4 52.1 244 247 A K H X S+ 0 0 102 -4,-2.3 4,-1.2 1,-0.2 -1,-0.2 0.896 108.7 55.0 -65.0 -37.7 37.2 73.4 50.5 245 248 A E H < S+ 0 0 66 -4,-1.8 3,-0.5 1,-0.2 4,-0.3 0.937 112.6 40.6 -60.6 -47.7 34.2 71.2 51.3 246 249 A Y H >< S+ 0 0 0 -4,-2.5 3,-0.9 1,-0.2 7,-0.2 0.831 109.0 60.2 -74.1 -30.1 31.7 73.6 49.6 247 250 A A H 3< S+ 0 0 7 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.777 112.9 40.4 -63.6 -26.1 34.1 74.2 46.7 248 251 A N T 3< S+ 0 0 135 -4,-1.2 -1,-0.2 -3,-0.5 2,-0.2 0.343 117.0 46.3-108.1 6.9 33.9 70.5 46.0 249 252 A D <> + 0 0 72 -3,-0.9 4,-2.1 -4,-0.3 -1,-0.2 -0.670 52.0 179.9-152.8 92.0 30.2 69.8 46.7 250 253 A Q H > S+ 0 0 121 1,-0.2 4,-2.4 -2,-0.2 5,-0.1 0.866 87.4 51.8 -59.8 -40.1 27.6 72.1 45.2 251 254 A D H > S+ 0 0 88 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.919 108.6 49.7 -65.3 -43.2 24.7 70.1 46.7 252 255 A K H > S+ 0 0 62 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.919 111.0 49.7 -64.1 -41.4 26.2 70.2 50.3 253 256 A F H X S+ 0 0 0 -4,-2.1 4,-3.1 -7,-0.2 5,-0.3 0.947 111.1 50.3 -58.8 -48.1 26.7 74.0 50.0 254 257 A F H X S+ 0 0 45 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.920 112.9 45.6 -57.2 -45.3 23.1 74.4 48.8 255 258 A K H X S+ 0 0 120 -4,-2.6 4,-1.9 2,-0.2 -1,-0.2 0.918 116.2 44.5 -67.3 -42.9 21.7 72.3 51.7 256 259 A D H X S+ 0 0 11 -4,-2.6 4,-2.4 -5,-0.2 5,-0.2 0.885 113.4 50.1 -69.8 -40.4 23.8 74.0 54.4 257 260 A F H X S+ 0 0 0 -4,-3.1 4,-3.2 -5,-0.2 5,-0.3 0.931 108.5 53.5 -61.0 -46.1 23.1 77.5 53.0 258 261 A S H X S+ 0 0 16 -4,-2.4 4,-2.2 -5,-0.3 5,-0.2 0.936 112.1 44.3 -56.0 -46.4 19.4 76.8 53.0 259 262 A K H X S+ 0 0 131 -4,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.940 116.8 44.7 -63.9 -46.4 19.4 75.8 56.6 260 263 A A H X S+ 0 0 2 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.884 113.3 50.2 -68.3 -38.1 21.6 78.6 57.8 261 264 A F H X S+ 0 0 4 -4,-3.2 4,-2.5 2,-0.2 -1,-0.2 0.913 111.5 47.7 -70.1 -42.7 19.7 81.3 55.8 262 265 A E H X S+ 0 0 32 -4,-2.2 4,-1.2 -5,-0.3 -1,-0.2 0.937 112.9 49.8 -59.9 -44.5 16.4 80.1 57.1 263 266 A K H >X S+ 0 0 55 -4,-2.4 4,-1.3 -5,-0.2 3,-0.6 0.930 110.1 50.5 -59.6 -45.4 17.8 80.1 60.7 264 267 A L H >< S+ 0 0 3 -4,-2.7 3,-0.6 1,-0.2 -201,-0.3 0.933 111.8 47.5 -55.5 -47.3 19.2 83.6 60.1 265 268 A L H 3< S+ 0 0 2 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.657 117.4 43.3 -71.0 -16.4 15.8 84.9 58.9 266 269 A E H X< S+ 0 0 31 -4,-1.2 3,-2.2 -3,-0.6 -1,-0.2 0.501 78.6 128.0-109.2 -7.3 14.0 83.2 61.9 267 270 A N T << S+ 0 0 17 -4,-1.3 -204,-0.4 -3,-0.6 -203,-0.4 -0.252 77.1 20.2 -52.5 132.0 16.3 84.1 64.7 268 271 A G T 3 S+ 0 0 17 1,-0.2 -265,-0.6 -206,-0.1 2,-0.5 0.273 97.4 116.9 95.2 -9.8 14.4 85.7 67.6 269 272 A I E < -a 3 0A 18 -3,-2.2 2,-0.6 -267,-0.1 -1,-0.2 -0.797 52.0-152.1-100.8 129.9 11.0 84.4 66.6 270 273 A T E -a 4 0A 71 -267,-3.5 -265,-2.9 -2,-0.5 -3,-0.0 -0.887 12.2-156.7 -95.5 118.0 8.9 82.0 68.6 271 274 A F - 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0 0 99 -2,-0.2 -1,-0.1 1,-0.1 2,-0.1 -0.590 28.4-120.0 -78.1 143.4 7.7 77.1 43.6 283 286 A T > - 0 0 15 -2,-0.2 4,-1.4 1,-0.1 6,-0.2 -0.360 25.7-108.5 -74.3 166.1 9.9 79.2 41.3 284 287 A L H >>S+ 0 0 0 1,-0.2 5,-2.6 2,-0.2 4,-0.7 0.926 123.2 54.7 -58.8 -42.9 8.3 81.0 38.3 285 288 A E H >45S+ 0 0 160 1,-0.2 3,-1.1 2,-0.2 -1,-0.2 0.908 105.6 50.7 -56.7 -45.4 10.1 78.4 36.2 286 289 A E H 345S+ 0 0 116 1,-0.2 -1,-0.2 2,-0.1 -2,-0.2 0.788 112.4 48.1 -62.9 -27.7 8.5 75.5 38.1 287 290 A Q H 3<5S- 0 0 59 -4,-1.4 -1,-0.2 -3,-0.5 -2,-0.2 0.491 111.7-118.6 -90.8 -6.1 5.1 77.1 37.6 288 291 A G T <<5 0 0 69 -3,-1.1 -3,-0.2 -4,-0.7 -2,-0.1 0.787 360.0 360.0 69.0 27.6 5.5 77.7 33.9 289 292 A L < 0 0 104 -5,-2.6 -1,-0.2 -6,-0.2 -2,-0.1 -0.620 360.0 360.0-104.8 360.0 5.2 81.5 34.6