==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 14-MAR-13 4JMZ . 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) . 13421.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 178 61.6 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 . 8 2.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 13.8 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 0 132 0, 0.0 2,-0.5 0, 0.0 267,-0.0 0.000 360.0 360.0 360.0 129.0 10.7 88.9 74.5 2 5 A V - 0 0 105 2,-0.0 2,-0.6 267,-0.0 267,-0.1 -0.961 360.0-171.1-117.4 123.7 8.4 86.3 72.9 3 6 A H E -a 269 0A 28 265,-0.6 267,-3.2 -2,-0.5 2,-0.5 -0.919 10.3-160.4-114.3 110.0 7.1 86.6 69.3 4 7 A V E -a 270 0A 71 -2,-0.6 267,-0.2 265,-0.2 2,-0.1 -0.767 22.2-118.4 -97.0 124.2 4.5 84.0 68.4 5 8 A A - 0 0 10 265,-2.5 2,-0.5 -2,-0.5 122,-0.2 -0.372 29.9-169.0 -57.9 127.8 3.8 83.3 64.7 6 9 A S - 0 0 73 120,-2.6 120,-0.2 -2,-0.1 3,-0.1 -0.965 20.3-128.9-125.9 110.1 0.2 84.1 63.8 7 10 A V - 0 0 55 -2,-0.5 3,-0.2 118,-0.1 121,-0.0 -0.351 34.1-102.3 -60.9 129.2 -1.1 82.9 60.4 8 11 A E > - 0 0 22 1,-0.2 3,-2.4 2,-0.1 -1,-0.1 -0.325 61.0 -82.7 -50.6 132.0 -2.7 85.7 58.4 9 12 A K T 3 S- 0 0 199 1,-0.3 -1,-0.2 89,-0.1 3,-0.1 -0.102 105.6 -5.0 -59.1 126.1 -6.4 84.9 58.9 10 13 A G T 3 S+ 0 0 76 1,-0.2 -1,-0.3 -3,-0.2 2,-0.2 0.450 98.8 134.6 81.3 1.9 -7.8 82.3 56.5 11 14 A R < + 0 0 82 -3,-2.4 -1,-0.2 3,-0.0 2,-0.2 -0.567 23.8 166.3 -94.9 150.4 -4.6 81.9 54.5 12 15 A S >> - 0 0 58 -2,-0.2 4,-1.5 -3,-0.1 3,-1.1 -0.804 54.1 -64.5-145.9-175.0 -3.0 78.7 53.3 13 16 A Y H 3> S+ 0 0 67 1,-0.3 4,-2.5 -2,-0.2 5,-0.2 0.850 126.2 54.4 -48.4 -48.4 -0.3 77.5 50.9 14 17 A E H 3> S+ 0 0 126 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.851 104.4 55.4 -61.3 -35.5 -2.1 78.5 47.7 15 18 A D H <> S+ 0 0 26 -3,-1.1 4,-1.2 1,-0.2 -1,-0.2 0.937 112.1 42.9 -58.7 -46.4 -2.5 82.2 49.0 16 19 A F H X S+ 0 0 0 -4,-1.5 4,-2.9 1,-0.2 -2,-0.2 0.847 107.0 59.9 -74.8 -30.9 1.3 82.5 49.5 17 20 A Q H X S+ 0 0 14 -4,-2.5 4,-2.4 -5,-0.2 -1,-0.2 0.875 103.6 53.3 -59.8 -35.3 2.1 80.7 46.2 18 21 A K H X S+ 0 0 115 -4,-1.6 4,-1.9 2,-0.2 -1,-0.2 0.886 109.5 47.6 -67.5 -35.5 0.2 83.6 44.5 19 22 A V H X S+ 0 0 0 -4,-1.2 4,-2.5 2,-0.2 -2,-0.2 0.940 111.8 50.0 -68.2 -50.8 2.3 86.1 46.3 20 23 A Y H X S+ 0 0 0 -4,-2.9 4,-2.6 1,-0.2 -2,-0.2 0.905 111.0 50.4 -45.6 -50.1 5.4 84.2 45.3 21 24 A N H X S+ 0 0 21 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.876 108.4 50.5 -63.9 -38.5 4.2 84.1 41.7 22 25 A A H X S+ 0 0 16 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.919 112.8 47.2 -66.4 -44.7 3.6 87.9 41.6 23 26 A I H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.950 113.7 48.0 -54.9 -51.5 7.1 88.5 42.9 24 27 A A H X S+ 0 0 1 -4,-2.6 4,-1.6 1,-0.2 -2,-0.2 0.864 111.1 50.1 -63.0 -37.1 8.6 86.1 40.4 25 28 A L H X S+ 0 0 78 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.907 110.7 48.9 -71.3 -37.9 6.7 87.6 37.4 26 29 A K H X S+ 0 0 52 -4,-2.2 4,-3.0 2,-0.2 -2,-0.2 0.863 106.8 57.4 -67.2 -38.1 7.8 91.1 38.4 27 30 A L H < S+ 0 0 25 -4,-2.2 12,-0.2 1,-0.2 -1,-0.2 0.895 111.5 42.6 -57.7 -41.7 11.4 89.8 38.6 28 31 A R H < S+ 0 0 133 -4,-1.6 3,-0.4 -5,-0.1 -2,-0.2 0.914 117.7 46.8 -67.2 -43.3 11.0 88.7 35.0 29 32 A E H < S+ 0 0 138 -4,-2.6 2,-1.4 1,-0.2 3,-0.2 0.924 108.5 50.7 -67.0 -50.5 9.3 91.9 33.9 30 33 A D S >< S+ 0 0 31 -4,-3.0 3,-0.7 1,-0.2 9,-0.3 -0.412 70.6 142.5 -90.5 59.9 11.5 94.6 35.5 31 34 A D T 3 + 0 0 81 -2,-1.4 -1,-0.2 -3,-0.4 7,-0.1 0.555 52.5 70.8 -83.0 -13.1 14.7 93.1 34.1 32 35 A E T 3> + 0 0 90 -3,-0.2 4,-2.1 5,-0.1 3,-0.3 0.696 67.5 122.7 -79.5 -18.2 16.6 96.3 33.3 33 36 A Y H <>>S+ 0 0 37 -3,-0.7 5,-2.4 1,-0.2 4,-0.9 -0.076 79.5 5.8 -52.0 138.6 17.3 97.2 37.0 34 37 A D H >45S- 0 0 47 1,-0.2 3,-1.2 2,-0.2 -1,-0.2 0.942 140.0 -46.4 52.8 59.3 21.0 97.7 37.9 35 38 A N H 345S- 0 0 147 -3,-0.3 -1,-0.2 1,-0.2 -2,-0.2 0.913 114.7 -48.7 49.6 48.3 22.4 97.3 34.3 36 39 A Y H 3<5S+ 0 0 149 -4,-2.1 -1,-0.2 1,-0.1 -2,-0.2 0.592 109.4 117.3 70.0 15.8 20.2 94.2 33.6 37 40 A I T <<5 - 0 0 16 -3,-1.2 3,-0.3 -4,-0.9 -3,-0.2 0.876 66.1-148.4 -66.9 -38.2 21.1 92.4 36.9 38 41 A G < - 0 0 8 -5,-2.4 4,-0.4 1,-0.2 -7,-0.1 -0.203 29.8 -70.4 83.0 175.5 17.4 92.5 37.8 39 42 A Y S > S+ 0 0 35 -9,-0.3 4,-1.9 -12,-0.2 5,-0.2 0.415 102.5 98.5 -85.9 -2.0 16.0 92.8 41.4 40 43 A G H > S+ 0 0 5 -3,-0.3 4,-1.8 1,-0.2 3,-0.2 0.953 84.9 44.1 -55.1 -54.4 16.9 89.3 42.5 41 44 A P H > S+ 0 0 16 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.921 112.5 49.6 -57.9 -42.6 20.1 90.2 44.4 42 45 A V H > S+ 0 0 20 -4,-0.4 4,-2.4 1,-0.3 -2,-0.2 0.851 109.3 53.6 -70.2 -30.6 18.8 93.2 46.2 43 46 A L H X S+ 0 0 1 -4,-1.9 4,-2.1 2,-0.2 -1,-0.3 0.859 107.9 50.1 -68.2 -38.0 15.8 91.3 47.4 44 47 A V H X S+ 0 0 8 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.948 112.3 47.9 -62.5 -45.6 18.1 88.6 48.9 45 48 A R H X S+ 0 0 95 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.906 109.3 53.6 -63.4 -40.5 20.0 91.3 50.6 46 49 A L H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 5,-0.2 0.931 107.8 49.4 -61.1 -46.6 16.8 92.9 51.9 47 50 A A H X S+ 0 0 0 -4,-2.1 4,-1.0 1,-0.2 -1,-0.2 0.855 113.1 48.5 -61.0 -37.1 15.6 89.6 53.5 48 51 A W H X S+ 0 0 43 -4,-1.9 4,-3.2 2,-0.2 3,-0.2 0.927 111.4 48.4 -70.2 -43.1 19.0 89.2 55.1 49 52 A H H < S+ 0 0 4 -4,-2.8 4,-0.4 1,-0.2 -2,-0.2 0.840 108.7 52.0 -68.7 -33.9 19.1 92.8 56.5 50 53 A I H < S+ 0 0 4 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.802 119.6 38.0 -71.6 -24.9 15.6 92.7 58.0 51 54 A S H >< S+ 0 0 1 -4,-1.0 3,-1.8 -5,-0.2 -2,-0.2 0.809 104.0 68.7 -88.2 -35.0 16.6 89.4 59.7 52 55 A G T 3< S+ 0 0 0 -4,-3.2 -3,-0.1 1,-0.3 -2,-0.1 0.441 80.9 75.2 -74.4 -2.5 20.3 90.3 60.7 53 56 A T T 3 S+ 0 0 5 -4,-0.4 -1,-0.3 -3,-0.2 -2,-0.1 0.543 74.0 121.2 -75.4 -9.8 19.2 92.9 63.2 54 57 A W < - 0 0 25 -3,-1.8 2,-0.5 7,-0.2 7,-0.2 -0.184 48.3-160.3 -60.7 144.3 18.3 90.0 65.6 55 58 A D B >>> -B 60 0B 28 5,-2.0 4,-2.2 1,-0.1 3,-0.9 -0.948 8.3-158.3-124.5 112.7 19.9 89.7 69.0 56 59 A K T 345S+ 0 0 87 101,-2.2 -1,-0.1 -2,-0.5 102,-0.1 0.734 86.6 67.8 -56.2 -23.5 19.7 86.2 70.5 57 60 A H T 345S+ 0 0 141 1,-0.2 -1,-0.2 100,-0.2 -3,-0.0 0.874 125.2 2.1 -73.5 -32.3 20.3 87.7 74.0 58 61 A D T <45S- 0 0 74 -3,-0.9 -2,-0.2 2,-0.1 -1,-0.2 0.355 94.8-115.5-134.4 5.7 17.0 89.5 74.3 59 62 A N T <5 + 0 0 21 -4,-2.2 2,-0.2 1,-0.2 -3,-0.2 0.768 62.2 149.7 55.8 31.2 15.2 88.7 71.1 60 63 A T B < +B 55 0B 39 -5,-0.6 -5,-2.0 -7,-0.1 -1,-0.2 -0.503 53.0 12.3 -78.4 161.9 15.2 92.3 69.9 61 64 A G S S+ 0 0 13 73,-0.4 3,-0.2 -7,-0.2 -7,-0.2 -0.272 74.1 127.0 67.1-157.5 15.3 92.9 66.1 62 65 A G S S- 0 0 4 -12,-0.2 3,-0.5 -13,-0.2 5,-0.3 -0.064 74.2 -75.0 89.0 167.9 14.7 90.1 63.7 63 66 A S S > S+ 0 0 2 204,-0.4 3,-0.9 201,-0.3 -1,-0.2 0.624 105.9 87.4 -74.6 -20.2 12.3 89.7 60.7 64 67 A Y T 3 S+ 0 0 22 203,-0.3 64,-0.4 1,-0.2 38,-0.3 0.869 87.4 44.2 -51.0 -50.8 9.1 89.2 62.8 65 68 A G T 3 S- 0 0 5 -3,-0.5 65,-1.9 -4,-0.2 -1,-0.2 0.568 91.9-134.1 -81.6 -8.6 8.0 92.8 63.3 66 69 A G X + 0 0 2 -3,-0.9 3,-1.5 -4,-0.2 -3,-0.1 0.801 48.0 155.8 63.2 29.6 8.5 94.1 59.8 67 70 A T G > + 0 0 7 -5,-0.3 3,-1.9 1,-0.3 6,-0.4 0.520 48.6 85.9 -75.0 -9.3 10.3 97.2 61.3 68 71 A Y G 3 S+ 0 0 1 1,-0.3 -1,-0.3 5,-0.2 6,-0.2 0.757 77.4 72.2 -59.5 -22.5 12.3 98.0 58.1 69 72 A R G < S+ 0 0 76 -3,-1.5 2,-0.3 4,-0.1 -1,-0.3 0.663 84.2 86.6 -67.3 -14.5 9.1 99.9 57.0 70 73 A F S X> S- 0 0 33 -3,-1.9 4,-2.8 1,-0.1 3,-1.0 -0.695 86.8-121.9 -90.4 142.5 10.0 102.6 59.7 71 74 A K H 3> S+ 0 0 150 -2,-0.3 4,-2.4 1,-0.3 5,-0.1 0.800 106.2 62.1 -55.2 -36.2 12.4 105.5 58.9 72 75 A K H 34 S+ 0 0 80 2,-0.2 -1,-0.3 1,-0.2 66,-0.1 0.933 118.0 29.7 -55.1 -44.5 14.9 104.7 61.7 73 76 A E H X4 S+ 0 0 3 -3,-1.0 3,-1.7 -6,-0.4 -2,-0.2 0.902 116.5 57.2 -84.5 -44.1 15.7 101.3 60.0 74 77 A F H 3< S+ 0 0 48 -4,-2.8 -2,-0.2 -7,-0.3 -3,-0.2 0.835 112.2 45.0 -52.5 -37.0 14.9 102.3 56.4 75 78 A N T 3< S+ 0 0 105 -4,-2.4 -1,-0.3 -5,-0.3 -2,-0.2 0.322 78.9 132.2 -95.5 7.0 17.6 105.1 56.8 76 79 A D X - 0 0 9 -3,-1.7 3,-2.5 1,-0.2 4,-0.2 -0.425 62.5-132.8 -55.0 123.6 20.2 102.9 58.5 77 80 A P G > S+ 0 0 100 0, 0.0 3,-1.6 0, 0.0 -1,-0.2 0.847 107.2 61.8 -49.3 -33.9 23.5 103.6 56.6 78 81 A S G 3 S+ 0 0 39 1,-0.3 -2,-0.1 63,-0.0 -3,-0.0 0.666 101.5 53.5 -65.0 -19.0 24.0 99.8 56.5 79 82 A N G X S+ 0 0 0 -3,-2.5 3,-2.1 -6,-0.2 4,-0.4 0.244 74.3 143.2 -99.9 12.5 20.8 99.5 54.5 80 83 A A T < S+ 0 0 25 -3,-1.6 -5,-0.1 1,-0.3 101,-0.0 -0.359 72.7 19.8 -58.2 125.6 21.7 102.0 51.7 81 84 A G T > S+ 0 0 8 -2,-0.1 3,-1.5 100,-0.1 4,-0.4 0.005 93.6 100.7 101.0 -23.6 20.3 100.8 48.4 82 85 A L T X> + 0 0 1 -3,-2.1 4,-2.2 1,-0.3 3,-0.8 0.732 62.4 81.2 -69.4 -17.3 17.7 98.4 49.9 83 86 A Q H 3> S+ 0 0 48 -4,-0.4 4,-2.7 1,-0.3 -1,-0.3 0.787 84.4 62.3 -56.1 -28.9 15.1 101.1 49.2 84 87 A N H <> S+ 0 0 48 -3,-1.5 4,-2.0 2,-0.2 -1,-0.3 0.872 104.2 45.6 -62.3 -41.9 15.1 99.7 45.6 85 88 A G H <> S+ 0 0 0 -3,-0.8 4,-1.9 -4,-0.4 -2,-0.2 0.886 111.8 52.9 -69.3 -38.0 13.9 96.3 46.9 86 89 A F H X S+ 0 0 47 -4,-2.2 4,-1.2 2,-0.2 -2,-0.2 0.957 109.4 48.4 -58.1 -48.0 11.3 98.1 49.1 87 90 A K H < S+ 0 0 119 -4,-2.7 3,-0.4 1,-0.2 -2,-0.2 0.883 108.9 54.0 -63.6 -39.3 10.0 100.0 46.0 88 91 A F H < S+ 0 0 2 -4,-2.0 4,-0.4 1,-0.2 -1,-0.2 0.898 110.4 46.6 -53.5 -46.6 9.9 96.7 44.0 89 92 A L H X S+ 0 0 3 -4,-1.9 4,-2.3 1,-0.2 3,-0.4 0.636 90.4 85.8 -75.9 -18.9 7.7 95.1 46.7 90 93 A E H X S+ 0 0 83 -4,-1.2 4,-2.2 -3,-0.4 -1,-0.2 0.909 91.2 44.8 -53.0 -50.3 5.3 98.0 47.0 91 94 A P H > S+ 0 0 62 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.780 110.9 55.2 -65.1 -26.6 3.0 97.0 44.2 92 95 A I H > S+ 0 0 7 -3,-0.4 4,-2.2 -4,-0.4 -2,-0.2 0.918 109.7 46.5 -67.9 -45.2 3.0 93.4 45.4 93 96 A H H < S+ 0 0 49 -4,-2.3 -1,-0.2 2,-0.2 6,-0.2 0.886 109.4 54.5 -63.8 -39.4 1.9 94.6 48.9 94 97 A K H < S+ 0 0 159 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.906 113.3 42.8 -59.3 -41.1 -0.8 96.8 47.3 95 98 A E H < S+ 0 0 131 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.831 128.2 29.5 -71.1 -36.2 -2.2 93.7 45.4 96 99 A F >< + 0 0 24 -4,-2.2 3,-1.7 1,-0.1 -1,-0.2 -0.565 70.0 159.6-123.7 64.6 -1.9 91.4 48.4 97 100 A P T 3 + 0 0 93 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.586 62.4 76.5 -72.8 -7.3 -2.4 93.7 51.4 98 101 A W T 3 S+ 0 0 56 -3,-0.1 2,-0.2 2,-0.1 -89,-0.1 0.699 76.9 93.6 -69.5 -22.1 -3.4 90.8 53.7 99 102 A I S < S- 0 0 4 -3,-1.7 2,-0.1 -6,-0.2 -3,-0.0 -0.486 80.6-117.5 -78.9 142.5 0.3 89.8 54.0 100 103 A S > - 0 0 12 27,-0.2 4,-2.4 -2,-0.2 5,-0.1 -0.336 21.7-117.3 -70.0 160.3 2.4 91.1 56.9 101 104 A S H > S+ 0 0 9 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.933 114.6 48.9 -66.8 -47.0 5.5 93.2 56.1 102 105 A G H > S+ 0 0 0 -38,-0.3 4,-2.2 2,-0.2 5,-0.2 0.882 111.6 48.7 -58.3 -41.0 7.9 90.7 57.6 103 106 A D H > S+ 0 0 0 24,-0.2 4,-2.8 2,-0.2 5,-0.2 0.930 113.4 48.6 -67.0 -42.6 6.4 87.8 55.7 104 107 A L H X S+ 0 0 1 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.940 112.8 45.9 -62.1 -48.9 6.6 89.9 52.5 105 108 A F H X S+ 0 0 5 -4,-2.9 4,-1.2 2,-0.2 -1,-0.2 0.918 117.1 44.3 -61.5 -46.0 10.2 91.0 53.0 106 109 A S H X S+ 0 0 0 -4,-2.2 4,-2.0 -5,-0.2 3,-0.3 0.927 112.0 51.6 -68.8 -41.4 11.3 87.4 53.9 107 110 A L H X S+ 0 0 0 -4,-2.8 4,-2.9 -5,-0.2 5,-0.2 0.840 102.6 61.7 -64.2 -32.1 9.3 85.8 51.0 108 111 A G H X S+ 0 0 0 -4,-2.0 4,-2.4 -5,-0.2 -1,-0.2 0.924 106.1 46.4 -55.4 -42.1 10.9 88.3 48.6 109 112 A G H X S+ 0 0 0 -4,-1.2 4,-2.7 -3,-0.3 -2,-0.2 0.925 112.5 48.3 -69.3 -45.3 14.3 86.7 49.5 110 113 A V H X S+ 0 0 1 -4,-2.0 4,-2.3 2,-0.2 5,-0.2 0.931 113.3 48.0 -57.4 -48.6 13.0 83.2 49.2 111 114 A T H X S+ 0 0 0 -4,-2.9 4,-3.0 2,-0.2 5,-0.2 0.934 111.1 50.5 -60.4 -45.4 11.4 83.9 45.8 112 115 A A H X S+ 0 0 0 -4,-2.4 4,-2.1 -5,-0.2 6,-0.2 0.956 110.6 49.3 -60.6 -49.7 14.6 85.6 44.5 113 116 A V H <>S+ 0 0 0 -4,-2.7 5,-2.6 1,-0.2 80,-0.2 0.926 115.6 42.5 -54.0 -50.6 16.8 82.7 45.5 114 117 A Q H ><5S+ 0 0 5 -4,-2.3 3,-1.8 1,-0.2 -2,-0.2 0.922 113.3 51.0 -67.7 -42.6 14.6 80.1 43.8 115 118 A E H 3<5S+ 0 0 50 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.825 103.7 59.1 -67.3 -28.1 13.9 82.1 40.7 116 119 A M T 3<5S- 0 0 14 -4,-2.1 77,-2.9 -5,-0.2 -1,-0.3 0.205 128.3-101.1 -82.6 16.0 17.7 82.6 40.2 117 120 A Q T < 5S+ 0 0 130 -3,-1.8 -3,-0.2 75,-0.2 -2,-0.2 0.722 79.3 138.0 75.4 21.5 17.9 78.8 40.1 118 121 A G < - 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0 0 8 -5,-2.3 -1,-0.2 -8,-0.1 -2,-0.1 -0.912 34.3-153.6-108.9 135.8 25.3 81.0 63.6 161 164 A N > - 0 0 89 -2,-0.4 4,-2.7 -5,-0.0 5,-0.2 -0.279 40.0 -82.9 -93.9-177.9 28.4 78.6 63.6 162 165 A D H > S+ 0 0 41 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.914 127.8 45.5 -55.7 -47.9 31.3 78.3 61.2 163 166 A R H > S+ 0 0 82 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.898 113.1 50.2 -64.8 -40.7 29.6 76.2 58.6 164 167 A E H > S+ 0 0 40 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.896 111.7 49.0 -65.6 -41.3 26.4 78.4 58.6 165 168 A V H X S+ 0 0 1 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.947 112.9 45.7 -59.7 -52.2 28.5 81.6 58.2 166 169 A V H X S+ 0 0 0 -4,-2.5 4,-0.6 -5,-0.2 -2,-0.2 0.913 114.8 48.4 -63.6 -38.7 30.5 80.2 55.3 167 170 A A H >< S+ 0 0 0 -4,-2.4 3,-1.4 -5,-0.2 4,-0.3 0.960 111.2 49.6 -67.0 -46.9 27.3 78.9 53.6 168 171 A L H >< S+ 0 0 20 -4,-2.8 3,-1.8 1,-0.3 -1,-0.2 0.873 102.7 61.3 -60.4 -35.3 25.4 82.2 54.1 169 172 A M H >< S+ 0 0 21 -4,-2.2 3,-2.2 1,-0.3 -1,-0.3 0.711 82.7 81.5 -68.5 -17.1 28.3 84.2 52.6 170 173 A G G X< S+ 0 0 1 -3,-1.4 3,-1.9 -4,-0.6 27,-0.3 0.690 70.9 80.6 -61.9 -13.7 28.0 82.3 49.3 171 174 A A G X S+ 0 0 20 -3,-1.8 3,-2.1 1,-0.3 -1,-0.3 0.685 71.1 81.8 -63.2 -16.7 25.1 84.7 48.5 172 175 A H G < + 0 0 83 -3,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.482 70.0 78.0 -71.6 0.7 28.0 87.1 47.5 173 176 A A G < S+ 0 0 15 -3,-1.9 -1,-0.3 21,-0.2 2,-0.3 0.693 87.4 81.3 -64.5 -23.2 28.0 85.3 44.2 174 177 A L S < S- 0 0 17 -3,-2.1 17,-0.2 -4,-0.1 19,-0.0 -0.618 96.1 -25.0 -92.3 144.0 24.9 87.5 43.5 175 178 A G B S-D 190 0D 9 15,-3.1 15,-0.5 -2,-0.3 2,-0.3 -0.268 76.8 -94.1 67.3-147.7 24.7 91.1 42.4 176 179 A K - 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