==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 01-FEB-02 1KXN . COMPND 2 MOLECULE: CYTOCHROME C PEROXIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR R.J.ROSENFELD,A.M.A.HAYES,R.A.MUSAH,D.B.GOODIN . 289 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12768.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 187 64.7 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 . 17 5.9 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 . 44 15.2 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 . 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 . 2 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 0 121 0, 0.0 2,-0.5 0, 0.0 267,-0.0 0.000 360.0 360.0 360.0 122.9 12.8 91.0 74.8 2 5 A V - 0 0 105 2,-0.0 2,-0.5 267,-0.0 267,-0.1 -0.907 360.0-175.2-123.3 132.0 10.2 88.9 73.0 3 6 A H E -a 269 0A 31 265,-0.5 267,-3.6 -2,-0.5 2,-0.5 -0.951 13.2-160.6-125.4 109.0 8.8 89.3 69.5 4 7 A V E -a 270 0A 71 -2,-0.5 267,-0.2 265,-0.2 2,-0.1 -0.807 22.9-118.1 -98.2 128.9 6.0 86.9 68.7 5 8 A A - 0 0 10 265,-3.4 2,-0.5 -2,-0.5 122,-0.2 -0.401 30.5-170.6 -62.0 134.0 5.2 86.3 65.0 6 9 A S - 0 0 75 120,-2.3 120,-0.2 -2,-0.1 3,-0.1 -0.939 21.6-127.0-131.6 109.1 1.7 87.4 64.2 7 10 A V - 0 0 52 -2,-0.5 3,-0.1 118,-0.2 5,-0.0 -0.238 33.7-101.7 -55.5 134.1 0.3 86.4 60.8 8 11 A E > - 0 0 20 1,-0.2 3,-2.2 2,-0.1 -1,-0.1 -0.339 64.5 -79.9 -57.1 137.8 -1.1 89.3 58.7 9 12 A K T 3 S- 0 0 175 1,-0.3 -1,-0.2 89,-0.1 3,-0.1 -0.185 105.0 -10.2 -62.3 124.0 -4.8 88.9 59.3 10 13 A G T 3 S+ 0 0 77 1,-0.3 -1,-0.3 -3,-0.1 2,-0.1 0.336 98.8 137.5 83.9 -5.0 -6.4 86.3 57.1 11 14 A R < + 0 0 78 -3,-2.2 -1,-0.3 3,-0.1 2,-0.2 -0.426 25.0 172.1 -84.5 148.7 -3.4 85.8 54.9 12 15 A S >> - 0 0 47 -2,-0.1 4,-1.6 -3,-0.1 3,-1.1 -0.759 52.8 -67.7-139.3-175.6 -2.0 82.5 53.7 13 16 A Y H 3> S+ 0 0 73 1,-0.3 4,-2.4 -2,-0.2 5,-0.2 0.840 127.0 57.9 -43.4 -49.1 0.6 81.0 51.3 14 17 A E H 3> S+ 0 0 125 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.849 103.8 51.7 -55.4 -42.8 -1.3 82.3 48.3 15 18 A D H <> S+ 0 0 13 -3,-1.1 4,-1.5 1,-0.2 -1,-0.2 0.948 112.5 44.7 -60.6 -48.2 -1.1 86.0 49.5 16 19 A F H X S+ 0 0 0 -4,-1.6 4,-3.0 1,-0.2 -2,-0.2 0.863 108.0 57.0 -71.2 -30.8 2.6 85.8 50.0 17 20 A Q H X S+ 0 0 9 -4,-2.4 4,-2.9 1,-0.2 -1,-0.2 0.886 104.9 54.3 -64.0 -36.1 3.3 84.0 46.6 18 21 A K H X S+ 0 0 95 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.894 109.5 46.4 -59.6 -42.3 1.5 87.0 45.0 19 22 A V H X S+ 0 0 0 -4,-1.5 4,-2.4 2,-0.2 -2,-0.2 0.922 111.7 51.6 -66.5 -46.9 3.9 89.3 46.8 20 23 A Y H X S+ 0 0 0 -4,-3.0 4,-3.0 1,-0.2 5,-0.2 0.926 110.5 49.8 -48.5 -52.7 6.8 87.1 45.7 21 24 A N H X S+ 0 0 22 -4,-2.9 4,-2.8 1,-0.2 -2,-0.2 0.895 108.4 51.0 -61.6 -40.8 5.5 87.3 42.1 22 25 A A H X S+ 0 0 14 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.921 113.4 45.5 -61.6 -45.7 5.2 91.1 42.1 23 26 A I H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.942 114.3 48.4 -61.8 -47.5 8.8 91.4 43.4 24 27 A A H X S+ 0 0 1 -4,-3.0 4,-2.0 1,-0.2 -2,-0.2 0.882 111.2 50.5 -61.4 -39.8 10.1 88.8 40.9 25 28 A L H X S+ 0 0 79 -4,-2.8 4,-2.4 -5,-0.2 -1,-0.2 0.897 111.0 47.9 -66.8 -38.9 8.2 90.5 38.0 26 29 A K H X S+ 0 0 53 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.827 107.3 57.7 -71.4 -31.1 9.7 93.9 38.9 27 30 A L H < S+ 0 0 21 -4,-2.1 12,-0.2 2,-0.2 -2,-0.2 0.922 110.6 43.1 -62.0 -45.1 13.2 92.3 39.1 28 31 A R H < S+ 0 0 129 -4,-2.0 3,-0.4 -5,-0.2 -2,-0.2 0.960 116.2 48.9 -67.7 -40.9 12.8 91.1 35.6 29 32 A E H < S+ 0 0 135 -4,-2.4 2,-1.4 1,-0.2 3,-0.3 0.909 107.0 51.0 -66.9 -46.6 11.3 94.5 34.4 30 33 A D >< + 0 0 27 -4,-2.6 3,-0.7 1,-0.2 9,-0.4 -0.457 69.8 143.5 -91.7 63.1 13.9 96.9 35.9 31 34 A D T 3 + 0 0 79 -2,-1.4 -1,-0.2 -3,-0.4 -2,-0.1 0.562 55.1 70.0 -80.8 -12.6 16.8 95.1 34.4 32 35 A E T 3> + 0 0 92 -3,-0.3 4,-2.4 4,-0.1 3,-0.3 0.765 68.1 121.0 -81.4 -21.2 18.9 98.1 33.7 33 36 A Y H <>>S+ 0 0 39 -3,-0.7 5,-2.8 1,-0.2 4,-1.0 -0.058 80.6 6.0 -48.6 136.3 19.6 99.0 37.4 34 37 A D H >45S- 0 0 34 1,-0.2 3,-1.1 2,-0.2 -1,-0.2 0.952 140.3 -45.3 55.9 57.1 23.4 99.1 38.3 35 38 A N H 345S- 0 0 146 -3,-0.3 -1,-0.2 1,-0.3 -2,-0.2 0.910 113.8 -51.3 54.2 42.7 24.8 98.6 34.8 36 39 A Y H 3<5S+ 0 0 152 -4,-2.4 -1,-0.3 1,-0.1 -2,-0.2 0.684 109.2 119.1 69.6 20.0 22.3 95.8 34.1 37 40 A I T <<5 - 0 0 9 -3,-1.1 3,-0.3 -4,-1.0 -3,-0.2 0.877 66.4-145.9 -73.3 -35.7 23.1 93.9 37.2 38 41 A G < - 0 0 9 -5,-2.8 4,-0.4 1,-0.2 -7,-0.1 -0.216 28.9 -71.5 89.8 168.2 19.5 94.3 38.2 39 42 A Y S > S+ 0 0 39 -9,-0.4 4,-1.9 -12,-0.2 5,-0.2 0.417 102.5 99.1 -80.1 -1.0 18.1 94.7 41.8 40 43 A G H >> S+ 0 0 5 -3,-0.3 4,-1.9 1,-0.2 3,-0.5 0.962 84.3 41.9 -52.4 -62.9 18.7 91.1 42.8 41 44 A P H 3> S+ 0 0 14 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.883 113.4 51.0 -57.2 -42.0 22.0 91.7 44.7 42 45 A V H 3> S+ 0 0 21 -4,-0.4 4,-2.7 1,-0.2 -2,-0.2 0.851 108.7 53.2 -70.1 -26.8 20.9 94.9 46.5 43 46 A L H < S+ 0 0 1 -4,-0.8 3,-1.6 -3,-0.4 -2,-0.2 0.834 103.6 70.9 -91.7 -33.7 18.5 91.3 60.0 52 55 A G T 3< S+ 0 0 0 -4,-3.2 -3,-0.1 1,-0.3 -2,-0.1 0.436 81.0 73.8 -67.0 -7.2 22.2 91.9 60.8 53 56 A T T 3 S+ 0 0 4 -4,-0.3 -1,-0.3 -5,-0.2 -2,-0.1 0.486 73.1 121.7 -81.1 -4.5 21.4 94.5 63.5 54 57 A W < - 0 0 22 -3,-1.6 2,-0.5 7,-0.2 7,-0.2 -0.315 47.9-160.4 -66.3 144.5 20.2 91.8 65.8 55 58 A D B >>> -B 60 0B 29 5,-2.0 4,-2.4 1,-0.1 3,-1.1 -0.949 6.0-159.5-123.5 107.8 21.8 91.2 69.2 56 59 A K T 345S+ 0 0 86 101,-2.1 102,-0.1 -2,-0.5 -1,-0.1 0.716 86.1 67.5 -57.2 -21.0 21.2 87.8 70.6 57 60 A H T 345S+ 0 0 137 100,-0.2 -1,-0.2 1,-0.2 -3,-0.0 0.886 125.7 1.3 -74.2 -36.0 21.9 89.0 74.1 58 61 A D T <45S- 0 0 75 -3,-1.1 -2,-0.2 2,-0.1 -1,-0.2 0.345 95.0-116.9-131.9 3.3 18.9 91.3 74.5 59 62 A N T <5 + 0 0 18 -4,-2.4 2,-0.2 1,-0.2 -3,-0.2 0.773 60.6 150.2 59.8 36.3 17.0 90.8 71.2 60 63 A T B < +B 55 0B 37 -5,-0.6 -5,-2.0 -7,-0.1 -1,-0.2 -0.497 55.5 12.0 -82.9 164.9 17.4 94.4 70.1 61 64 A G S S+ 0 0 11 73,-0.5 4,-0.2 -7,-0.2 -7,-0.2 -0.222 76.5 130.0 59.8-154.9 17.5 95.0 66.3 62 65 A G S S- 0 0 4 -12,-0.2 3,-0.4 1,-0.2 5,-0.3 -0.079 73.2 -76.8 94.9 164.1 16.6 92.0 64.0 63 66 A S S > S+ 0 0 2 204,-0.5 3,-1.3 201,-0.3 -1,-0.2 0.743 107.0 84.5 -71.8 -22.5 14.2 91.8 61.1 64 67 A Y T 3 S+ 0 0 22 203,-0.4 38,-0.4 1,-0.2 39,-0.2 0.881 87.0 48.1 -51.7 -51.2 10.9 91.7 63.1 65 68 A G T 3 S- 0 0 4 -3,-0.4 65,-2.1 -4,-0.2 -1,-0.2 0.575 90.3-136.1 -76.4 -8.4 10.3 95.4 63.7 66 69 A G X + 0 0 3 -3,-1.3 3,-1.6 -4,-0.2 -1,-0.1 0.809 47.5 155.5 64.7 26.5 10.8 96.7 60.1 67 70 A T G > + 0 0 7 -5,-0.3 3,-2.4 1,-0.3 6,-0.4 0.569 47.2 86.8 -74.3 -7.9 12.8 99.5 61.6 68 71 A Y G 3 S+ 0 0 3 1,-0.3 -1,-0.3 5,-0.1 6,-0.3 0.821 76.8 72.6 -56.5 -28.2 14.9 100.2 58.4 69 72 A R G < S+ 0 0 63 -3,-1.6 2,-0.3 4,-0.1 -1,-0.3 0.693 83.0 86.2 -64.6 -9.7 12.0 102.4 57.5 70 73 A F S X> S- 0 0 32 -3,-2.4 4,-2.4 1,-0.1 3,-1.1 -0.772 86.2-122.7-100.0 144.0 13.1 105.0 60.1 71 74 A K H 3> S+ 0 0 124 -2,-0.3 4,-2.4 1,-0.3 -1,-0.1 0.731 105.9 62.8 -55.2 -37.1 15.7 107.6 59.3 72 75 A K H 34 S+ 0 0 81 1,-0.2 -1,-0.3 2,-0.2 -4,-0.1 0.930 115.6 33.2 -55.3 -46.0 18.2 106.6 62.0 73 76 A E H X4 S+ 0 0 4 -3,-1.1 3,-1.4 -6,-0.4 -2,-0.2 0.874 116.9 50.5 -82.0 -40.9 18.6 103.2 60.4 74 77 A F H 3< S+ 0 0 68 -4,-2.4 -2,-0.2 -7,-0.3 -1,-0.2 0.857 112.1 52.4 -71.6 -18.3 18.2 104.0 56.7 75 78 A N T 3< S+ 0 0 97 -4,-2.4 -1,-0.3 -5,-0.3 -2,-0.2 0.448 77.7 126.9 -92.2 6.9 20.8 106.7 57.2 76 79 A D X - 0 0 9 -3,-1.4 3,-2.2 1,-0.2 4,-0.1 -0.398 65.4-133.7 -52.2 129.1 23.3 104.3 58.8 77 80 A P G > S+ 0 0 99 0, 0.0 3,-1.4 0, 0.0 -1,-0.2 0.828 107.0 63.2 -56.5 -31.1 26.6 104.7 56.9 78 81 A S G 3 S+ 0 0 39 1,-0.3 -2,-0.1 63,-0.0 -3,-0.0 0.607 101.4 52.2 -63.7 -16.0 26.7 100.9 56.8 79 82 A N G X S+ 0 0 0 -3,-2.2 3,-2.6 -6,-0.1 4,-0.4 0.250 74.9 144.8-109.0 13.4 23.5 100.9 54.8 80 83 A A T < S+ 0 0 25 -3,-1.4 101,-0.1 1,-0.3 -5,-0.1 -0.346 72.4 18.8 -55.3 127.1 24.7 103.3 52.1 81 84 A G T > S+ 0 0 8 99,-0.1 3,-1.2 -2,-0.0 4,-0.4 0.127 93.4 103.5 97.2 -16.1 23.1 102.4 48.8 82 85 A L T X> + 0 0 0 -3,-2.6 4,-2.1 1,-0.3 3,-1.2 0.743 61.0 80.7 -70.3 -18.7 20.4 100.2 50.3 83 86 A Q H 3> S+ 0 0 62 -4,-0.4 4,-3.1 1,-0.3 -1,-0.3 0.836 84.4 62.0 -56.9 -28.8 17.9 103.1 49.6 84 87 A N H <> S+ 0 0 60 -3,-1.2 4,-1.9 2,-0.2 -1,-0.3 0.892 104.7 46.3 -61.4 -38.8 17.8 101.7 46.0 85 88 A G H <> S+ 0 0 0 -3,-1.2 4,-2.0 -4,-0.4 -2,-0.2 0.904 113.0 49.2 -70.8 -43.0 16.4 98.4 47.3 86 89 A F H X S+ 0 0 47 -4,-2.1 4,-1.2 1,-0.2 -2,-0.2 0.925 110.2 50.9 -62.0 -43.7 13.9 100.2 49.5 87 90 A K H < S+ 0 0 108 -4,-3.1 3,-0.5 1,-0.2 -2,-0.2 0.907 108.1 53.9 -63.2 -38.4 12.8 102.4 46.6 88 91 A F H < S+ 0 0 3 -4,-1.9 4,-0.5 1,-0.2 -1,-0.2 0.908 110.2 46.6 -51.4 -50.2 12.4 99.2 44.5 89 92 A L H X S+ 0 0 2 -4,-2.0 4,-2.5 1,-0.2 3,-0.3 0.654 89.5 87.1 -75.9 -15.7 10.1 97.7 47.1 90 93 A E H X S+ 0 0 73 -4,-1.2 4,-2.4 -3,-0.5 5,-0.2 0.931 89.9 45.1 -54.1 -55.0 8.0 100.8 47.6 91 94 A P H > S+ 0 0 62 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.819 111.9 55.5 -61.8 -28.0 5.4 100.1 44.7 92 95 A I H > S+ 0 0 6 -4,-0.5 4,-1.9 -3,-0.3 -2,-0.2 0.917 109.1 45.8 -62.8 -46.3 5.3 96.5 46.0 93 96 A H H < S+ 0 0 36 -4,-2.5 6,-0.2 1,-0.2 -1,-0.2 0.879 110.6 53.4 -68.6 -35.6 4.3 97.7 49.4 94 97 A K H < S+ 0 0 134 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.882 111.8 45.6 -64.4 -38.4 1.8 100.2 48.0 95 98 A E H < S+ 0 0 125 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.822 125.7 31.8 -72.8 -29.6 0.2 97.3 46.0 96 99 A F >< + 0 0 15 -4,-1.9 3,-1.8 -5,-0.1 -1,-0.3 -0.563 68.9 163.1-127.2 68.4 0.2 95.0 49.1 97 100 A P T 3 + 0 0 93 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.675 67.4 70.8 -64.7 -18.8 -0.2 97.4 52.0 98 101 A W T 3 S+ 0 0 53 -3,-0.1 2,-0.2 2,-0.1 -89,-0.1 0.675 77.8 91.0 -71.5 -21.1 -1.2 94.6 54.4 99 102 A I S < S- 0 0 4 -3,-1.8 -3,-0.1 -6,-0.2 29,-0.0 -0.524 81.2-118.6 -79.8 145.1 2.3 93.1 54.5 100 103 A S > - 0 0 13 27,-0.2 4,-2.1 -2,-0.2 5,-0.1 -0.362 20.9-115.2 -74.2 165.9 4.6 94.3 57.3 101 104 A S H > S+ 0 0 6 2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.939 115.3 48.6 -66.4 -46.5 7.8 96.1 56.5 102 105 A G H > S+ 0 0 0 -38,-0.4 4,-2.3 1,-0.2 5,-0.3 0.896 111.7 50.3 -61.4 -39.1 10.1 93.4 58.0 103 106 A D H > S+ 0 0 0 24,-0.2 4,-2.7 -39,-0.2 -1,-0.2 0.935 112.9 47.1 -63.5 -42.7 8.2 90.7 56.1 104 107 A L H X S+ 0 0 1 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.924 113.0 47.3 -64.8 -45.5 8.6 92.7 52.9 105 108 A F H X S+ 0 0 3 -4,-3.1 4,-1.3 2,-0.2 -1,-0.2 0.921 116.6 42.9 -66.0 -43.1 12.3 93.3 53.3 106 109 A S H X S+ 0 0 0 -4,-2.3 4,-2.0 -5,-0.2 3,-0.3 0.918 114.1 51.3 -69.0 -41.2 13.1 89.7 54.2 107 110 A L H X S+ 0 0 0 -4,-2.7 4,-2.8 -5,-0.3 5,-0.2 0.873 103.4 59.9 -64.8 -34.1 10.8 88.4 51.4 108 111 A G H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.915 106.6 47.6 -55.1 -42.8 12.6 90.7 49.0 109 112 A G H X S+ 0 0 0 -4,-1.3 4,-2.3 -3,-0.3 -2,-0.2 0.905 112.3 47.4 -65.9 -45.1 15.9 88.9 49.9 110 113 A V H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 5,-0.2 0.906 112.3 50.1 -63.0 -41.2 14.4 85.4 49.5 111 114 A T H X S+ 0 0 0 -4,-2.8 4,-3.1 1,-0.2 5,-0.2 0.933 110.2 50.4 -66.6 -41.7 12.8 86.4 46.2 112 115 A A H X S+ 0 0 0 -4,-2.3 4,-2.1 -5,-0.2 6,-0.2 0.919 110.4 48.6 -60.3 -47.8 16.0 87.8 44.8 113 116 A V H <>S+ 0 0 0 -4,-2.3 5,-2.9 1,-0.2 80,-0.2 0.964 115.8 43.8 -60.7 -48.9 18.1 84.7 45.8 114 117 A Q H ><5S+ 0 0 5 -4,-2.3 3,-1.9 1,-0.2 -2,-0.2 0.931 112.8 49.9 -64.6 -42.6 15.5 82.3 44.2 115 118 A E H 3<5S+ 0 0 47 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.846 105.3 58.6 -70.0 -26.2 15.0 84.3 41.0 116 119 A M T 3<5S- 0 0 13 -4,-2.1 77,-2.8 -5,-0.2 -1,-0.3 0.349 128.1-100.5 -82.8 12.9 18.8 84.5 40.6 117 120 A Q T < 5S+ 0 0 127 -3,-1.9 -3,-0.2 75,-0.2 -2,-0.2 0.668 78.6 138.8 82.5 20.8 18.7 80.7 40.5 118 121 A G < - 0 0 14 -5,-2.9 -1,-0.2 -6,-0.2 3,-0.1 -0.057 61.1 -66.6 -78.9-169.6 19.9 80.3 44.1 119 122 A P - 0 0 13 0, 0.0 2,-0.2 0, 0.0 -1,-0.2 -0.330 57.6 -91.8 -71.6 162.1 18.5 77.6 46.5 120 123 A K - 0 0 63 -3,-0.1 138,-0.1 -6,-0.1 160,-0.1 -0.604 38.8-156.2 -65.5 138.5 14.9 77.7 47.8 121 124 A I - 0 0 0 -2,-0.2 160,-0.3 -11,-0.1 -7,-0.1 -0.967 14.0-133.6-117.7 105.4 14.8 79.6 51.1 122 125 A P - 0 0 30 0, 0.0 2,-0.4 0, 0.0 158,-0.2 -0.299 29.5-159.5 -55.5 143.6 11.8 78.6 53.3 123 126 A W B -C 279 0C 2 156,-2.4 156,-3.3 154,-0.1 2,-0.4 -0.994 11.7-154.7-137.4 139.0 10.2 81.9 54.5 124 127 A R - 0 0 56 -2,-0.4 3,-0.2 154,-0.2 2,-0.1 -0.953 8.5-149.1-118.7 131.7 7.9 82.7 57.5 125 128 A C + 0 0 8 -2,-0.4 -118,-0.2 1,-0.1 -120,-0.0 -0.296 58.0 88.0 -86.0 174.4 5.5 85.6 57.8 126 129 A G + 0 0 0 1,-0.4 -120,-2.3 -120,-0.2 -1,-0.1 0.363 40.7 142.0 115.2 -1.6 4.5 87.4 61.0 127 130 A R - 0 0 3 -3,-0.2 2,-0.4 -122,-0.2 -1,-0.4 -0.506 37.4-152.2 -64.5 144.8 7.0 90.1 61.5 128 131 A V - 0 0 54 -64,-0.1 -121,-0.0 -2,-0.1 -29,-0.0 -0.982 17.5-109.0-124.3 134.2 5.2 93.2 62.9 129 132 A D - 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0 0 18 -2,-0.4 4,-2.9 -10,-0.2 3,-0.3 -0.400 35.5-107.9 -65.5 154.7 37.3 92.7 50.9 228 231 A P H > S+ 0 0 19 0, 0.0 4,-1.8 0, 0.0 -83,-0.2 0.921 124.6 52.6 -51.3 -41.8 39.9 92.0 53.6 229 232 A T H 4 S+ 0 0 12 -85,-1.7 4,-0.4 2,-0.2 -84,-0.1 0.860 109.4 48.6 -65.5 -30.9 37.1 90.2 55.5 230 233 A D H >4 S+ 0 0 7 -3,-0.3 3,-1.9 -86,-0.2 4,-0.2 0.958 112.1 47.9 -63.7 -53.1 36.4 88.1 52.5 231 234 A Y H >X S+ 0 0 41 -4,-2.9 3,-2.1 1,-0.3 4,-0.7 0.819 96.9 72.5 -61.5 -25.3 40.0 87.2 52.1 232 235 A S H >X S+ 0 0 0 -4,-1.8 4,-2.1 -5,-0.3 3,-0.5 0.781 82.1 73.2 -63.7 -20.1 40.3 86.4 55.8 233 236 A L H <4 S+ 0 0 0 -3,-1.9 10,-0.3 -4,-0.4 -1,-0.3 0.665 102.8 38.9 -71.8 -10.5 38.3 83.3 55.0 234 237 A I H <4 S+ 0 0 34 -3,-2.1 -1,-0.3 -4,-0.2 -2,-0.2 0.475 110.6 59.7-111.5 -2.0 41.3 81.7 53.4 235 238 A Q H << S+ 0 0 111 -4,-0.7 -2,-0.2 -3,-0.5 -3,-0.1 0.805 94.9 69.8 -84.1 -36.0 43.8 83.1 55.9 236 239 A D S X S- 0 0 22 -4,-2.1 4,-2.7 1,-0.2 5,-0.2 -0.697 80.3-142.6 -82.0 127.9 42.2 81.3 58.8 237 240 A P H > S+ 0 0 90 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.803 98.4 49.4 -65.5 -29.7 42.7 77.6 58.6 238 241 A K H > S+ 0 0 127 2,-0.2 4,-1.2 1,-0.2 5,-0.1 0.932 114.0 44.5 -72.8 -46.0 39.2 76.7 59.9 239 242 A Y H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 3,-0.4 0.919 109.3 59.2 -60.9 -40.9 37.5 79.0 57.5 240 243 A L H X S+ 0 0 42 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.906 100.0 54.8 -58.8 -39.7 39.7 77.8 54.7 241 244 A S H X S+ 0 0 79 -4,-1.4 4,-1.5 1,-0.2 -1,-0.2 0.905 111.7 44.6 -58.7 -39.7 38.6 74.2 55.1 242 245 A I H X S+ 0 0 15 -4,-1.2 4,-2.5 -3,-0.4 5,-0.3 0.859 108.4 56.4 -76.4 -35.7 35.0 75.2 54.7 243 246 A V H X S+ 0 0 0 -4,-2.6 4,-2.1 -10,-0.3 -2,-0.2 0.925 109.3 47.4 -58.4 -43.1 35.8 77.5 51.7 244 247 A K H X S+ 0 0 105 -4,-2.4 4,-0.8 -5,-0.2 -1,-0.2 0.877 109.6 54.3 -68.1 -34.1 37.3 74.5 50.0 245 248 A E H >< S+ 0 0 68 -4,-1.5 3,-0.8 1,-0.2 -2,-0.2 0.952 112.7 41.1 -62.9 -49.4 34.2 72.4 50.9 246 249 A Y H >< S+ 0 0 0 -4,-2.5 3,-1.1 1,-0.2 7,-0.2 0.855 109.8 59.0 -70.5 -29.6 31.8 74.8 49.3 247 250 A A H 3< S+ 0 0 7 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.747 113.6 40.2 -67.9 -20.2 34.1 75.4 46.3 248 251 A N T << S+ 0 0 130 -4,-0.8 -1,-0.3 -3,-0.8 -2,-0.2 0.239 115.8 49.6-112.1 9.6 33.9 71.7 45.6 249 252 A D <> + 0 0 73 -3,-1.1 4,-2.3 -4,-0.2 -1,-0.2 -0.629 51.2 179.2-156.4 90.5 30.2 71.1 46.3 250 253 A Q H > S+ 0 0 129 1,-0.2 4,-2.6 2,-0.2 5,-0.1 0.895 87.7 49.2 -56.1 -46.2 27.5 73.3 44.8 251 254 A D H > S+ 0 0 102 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.933 109.7 50.6 -66.0 -43.1 24.6 71.4 46.4 252 255 A K H > S+ 0 0 65 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.927 111.2 48.6 -61.4 -44.4 26.1 71.5 49.9 253 256 A F H X S+ 0 0 0 -4,-2.3 4,-3.1 -7,-0.2 5,-0.3 0.938 111.2 50.6 -59.5 -46.6 26.7 75.2 49.6 254 257 A F H X S+ 0 0 51 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.934 112.3 47.1 -59.6 -46.9 23.1 75.7 48.4 255 258 A K H X S+ 0 0 92 -4,-2.9 4,-2.0 2,-0.2 -2,-0.2 0.926 116.4 42.7 -60.6 -49.1 21.8 73.7 51.3 256 259 A D H X S+ 0 0 8 -4,-2.7 4,-2.6 2,-0.2 5,-0.2 0.873 113.3 51.5 -66.7 -39.9 23.9 75.4 54.0 257 260 A F H X S+ 0 0 1 -4,-3.1 4,-3.1 -5,-0.2 5,-0.3 0.930 109.1 51.9 -60.9 -45.8 23.3 78.9 52.6 258 261 A S H X S+ 0 0 16 -4,-2.3 4,-2.2 -5,-0.3 5,-0.3 0.935 112.1 45.1 -57.0 -52.2 19.5 78.3 52.6 259 262 A K H X S+ 0 0 126 -4,-2.0 4,-2.5 1,-0.2 -1,-0.2 0.949 117.0 45.3 -54.6 -51.4 19.6 77.2 56.3 260 263 A A H X S+ 0 0 2 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.885 111.8 50.2 -67.0 -37.1 21.8 80.1 57.3 261 264 A F H X S+ 0 0 4 -4,-3.1 4,-2.6 -5,-0.2 -1,-0.2 0.933 112.1 47.1 -66.6 -44.3 19.9 82.8 55.4 262 265 A E H X S+ 0 0 32 -4,-2.2 4,-1.7 -5,-0.3 -2,-0.2 0.959 113.1 49.9 -60.5 -47.2 16.5 81.7 56.8 263 266 A K H X S+ 0 0 54 -4,-2.5 4,-1.3 -5,-0.3 3,-0.5 0.939 111.3 48.9 -54.4 -49.3 18.1 81.6 60.3 264 267 A L H >< S+ 0 0 2 -4,-2.6 3,-0.6 1,-0.2 -201,-0.3 0.904 113.3 46.3 -53.4 -50.9 19.5 85.1 59.8 265 268 A L H 3< S+ 0 0 2 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.661 117.9 44.4 -67.8 -22.1 16.2 86.4 58.6 266 269 A E H >< S+ 0 0 31 -4,-1.7 3,-2.0 -3,-0.5 -1,-0.2 0.520 80.1 125.6-103.9 -7.7 14.4 84.7 61.4 267 270 A N T << S+ 0 0 17 -4,-1.3 -204,-0.5 -3,-0.6 -203,-0.4 -0.259 75.6 21.4 -55.3 135.2 16.7 85.6 64.3 268 271 A G T 3 S+ 0 0 16 1,-0.3 -265,-0.5 -206,-0.1 2,-0.4 0.168 98.3 115.6 98.6 -16.6 14.9 87.3 67.2 269 272 A I E < -a 3 0A 16 -3,-2.0 2,-0.6 -267,-0.1 -1,-0.3 -0.717 53.0-151.8 -96.0 132.6 11.5 86.0 66.3 270 273 A T E -a 4 0A 72 -267,-3.6 -265,-3.4 -2,-0.4 -3,-0.0 -0.892 11.7-154.0 -98.4 124.6 9.4 83.7 68.3 271 274 A F - 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0 0 76 -2,-0.2 -1,-0.1 1,-0.1 2,-0.1 -0.584 27.9-119.3 -80.0 147.7 7.7 78.8 43.5 283 286 A T > - 0 0 16 -2,-0.2 4,-1.9 1,-0.1 6,-0.2 -0.356 24.7-109.4 -75.4 166.9 9.8 80.9 41.1 284 287 A L H >>S+ 0 0 0 1,-0.2 5,-2.6 2,-0.2 4,-1.1 0.934 122.5 53.7 -59.6 -42.8 8.3 82.6 38.1 285 288 A E H >45S+ 0 0 162 1,-0.2 3,-0.6 2,-0.2 -1,-0.2 0.913 107.4 49.4 -59.2 -40.3 10.0 80.1 35.9 286 289 A E H 345S+ 0 0 117 1,-0.2 -1,-0.2 2,-0.1 -2,-0.2 0.886 113.8 47.0 -67.1 -32.3 8.5 77.2 37.9 287 290 A Q H 3<5S- 0 0 58 -4,-1.9 -1,-0.2 2,-0.1 -2,-0.2 0.528 112.1-120.5 -83.9 -7.5 5.1 78.9 37.5 288 291 A G T <<5 0 0 66 -4,-1.1 -3,-0.2 -3,-0.6 -4,-0.1 0.791 360.0 360.0 71.7 24.3 5.6 79.5 33.8 289 292 A L < 0 0 105 -5,-2.6 -1,-0.2 -6,-0.2 -2,-0.1 -0.489 360.0 360.0-101.6 360.0 5.2 83.2 34.4