==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HALOPEROXIDASE 20-JAN-99 1VNG . COMPND 2 MOLECULE: VANADIUM CHLOROPEROXIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CURVULARIA INAEQUALIS; . AUTHOR S.MACEDO-RIBEIRO,A.MESSERSCHMIDT . 574 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21914.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 345 60.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 31 5.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 29 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 53 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 198 34.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 0.9 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 3 0 1 0 0 1 0 0 0 0 2 2 0 4 0 1 0 0 1 0 0 0 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 2 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 0 PARALLEL BRIDGES PER LADDER . 7 1 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 ANTIPARALLEL BRIDGES PER LADDER . 4 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 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 V 0 0 105 0, 0.0 3,-0.0 0, 0.0 128,-0.0 0.000 360.0 360.0 360.0 150.8 -23.0 70.2 26.8 2 5 A T - 0 0 85 1,-0.1 2,-0.1 3,-0.0 131,-0.0 -0.694 360.0-117.3 -81.3 127.3 -23.2 73.3 24.6 3 6 A P - 0 0 62 0, 0.0 -1,-0.1 0, 0.0 130,-0.1 -0.450 28.7-112.9 -65.1 139.4 -25.7 72.8 21.8 4 7 A I - 0 0 9 -2,-0.1 2,-1.1 129,-0.1 451,-0.2 -0.621 27.0-125.3 -74.2 124.2 -24.1 73.0 18.3 5 8 A P - 0 0 40 0, 0.0 453,-0.4 0, 0.0 -1,-0.1 -0.632 29.4-151.4 -73.9 101.8 -25.4 76.1 16.5 6 9 A L - 0 0 37 -2,-1.1 23,-0.0 451,-0.1 27,-0.0 -0.552 13.4-119.0 -78.1 133.9 -26.8 74.5 13.3 7 10 A P - 0 0 10 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.302 36.7 -90.2 -70.1 157.5 -26.8 76.7 10.1 8 11 A K - 0 0 144 1,-0.1 2,-0.4 2,-0.0 0, 0.0 -0.377 36.9-124.3 -68.7 145.4 -30.0 77.6 8.3 9 12 A I - 0 0 24 2,-0.1 2,-1.8 -2,-0.1 -1,-0.1 -0.733 16.8-124.3 -93.2 136.3 -31.3 75.4 5.5 10 13 A D S S+ 0 0 57 -2,-0.4 427,-0.3 427,-0.1 -1,-0.0 -0.614 73.6 105.5 -80.3 84.5 -32.0 77.0 2.1 11 14 A E S S- 0 0 37 -2,-1.8 2,-0.1 425,-0.1 -2,-0.1 -0.973 81.0 -88.4-161.2 144.7 -35.6 75.9 1.9 12 15 A P > - 0 0 45 0, 0.0 3,-1.6 0, 0.0 4,-0.3 -0.401 33.3-134.7 -59.0 130.5 -39.0 77.6 2.2 13 16 A E T 3 S+ 0 0 149 1,-0.3 3,-0.5 2,-0.2 4,-0.0 0.657 98.0 77.2 -62.4 -15.6 -40.1 77.6 5.8 14 17 A E T > S+ 0 0 104 1,-0.2 3,-2.1 2,-0.1 4,-0.4 0.827 78.6 73.5 -63.4 -31.7 -43.6 76.5 4.7 15 18 A Y G X S+ 0 0 6 -3,-1.6 3,-1.8 1,-0.3 7,-0.2 0.893 90.6 54.7 -49.5 -50.8 -42.3 72.9 4.2 16 19 A N G 3 S+ 0 0 41 -3,-0.5 -1,-0.3 -4,-0.3 -2,-0.1 0.338 86.9 79.4 -71.3 7.7 -42.1 72.1 7.8 17 20 A T G < S+ 0 0 62 -3,-2.1 2,-0.5 128,-0.1 -1,-0.3 0.691 81.4 77.2 -83.5 -20.3 -45.7 73.1 8.4 18 21 A N S <> S- 0 0 0 -3,-1.8 4,-2.3 -4,-0.4 301,-0.1 -0.789 82.4-143.0 -87.9 125.9 -46.5 69.6 7.0 19 22 A Y H > S+ 0 0 4 -2,-0.5 4,-2.1 300,-0.3 5,-0.2 0.808 96.6 55.3 -63.7 -29.6 -45.8 67.0 9.7 20 23 A I H > S+ 0 0 0 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.964 112.3 43.6 -66.7 -48.1 -44.5 64.3 7.3 21 24 A L H > S+ 0 0 0 -6,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.878 109.6 58.8 -62.9 -37.5 -41.9 66.8 6.0 22 25 A F H X S+ 0 0 4 -4,-2.3 4,-1.9 -7,-0.2 -1,-0.2 0.939 107.6 44.2 -58.1 -49.4 -41.1 67.9 9.5 23 26 A W H X S+ 0 0 3 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.810 110.7 54.2 -67.4 -29.0 -40.1 64.5 10.7 24 27 A N H X S+ 0 0 0 -4,-1.6 4,-1.9 2,-0.2 -1,-0.2 0.928 108.7 52.0 -66.4 -42.4 -38.1 63.9 7.5 25 28 A H H X S+ 0 0 17 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.875 106.3 51.4 -59.4 -44.6 -36.3 67.1 8.4 26 29 A V H X S+ 0 0 3 -4,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.905 109.1 51.6 -62.5 -38.9 -35.6 65.9 12.0 27 30 A G H X S+ 0 0 3 -4,-1.8 4,-1.7 1,-0.2 -1,-0.2 0.882 110.4 49.1 -63.7 -36.4 -34.1 62.8 10.5 28 31 A L H X S+ 0 0 5 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.843 108.6 52.8 -70.8 -35.2 -31.9 65.0 8.3 29 32 A E H X S+ 0 0 20 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.920 109.0 49.0 -66.2 -43.6 -30.9 67.1 11.2 30 33 A L H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 5,-0.2 0.891 107.5 57.2 -63.2 -37.0 -29.7 64.0 13.1 31 34 A N H X S+ 0 0 2 -4,-1.7 4,-1.3 1,-0.2 -2,-0.2 0.961 112.0 39.3 -58.1 -53.4 -27.8 62.9 10.0 32 35 A R H X S+ 0 0 2 -4,-2.1 261,-0.7 1,-0.2 4,-0.6 0.858 116.6 50.5 -68.4 -34.0 -25.8 66.0 9.9 33 36 A V H >X S+ 0 0 2 -4,-2.3 4,-2.4 1,-0.2 3,-1.1 0.925 106.5 54.1 -69.8 -43.0 -25.3 66.3 13.6 34 37 A T H 3X>S+ 0 0 0 -4,-2.8 5,-2.3 1,-0.3 4,-1.2 0.827 108.2 50.3 -62.6 -29.9 -24.1 62.7 14.0 35 38 A H H 3<5S+ 0 0 24 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.654 111.3 50.3 -81.6 -13.9 -21.4 63.3 11.4 36 39 A T H <<5S+ 0 0 22 -3,-1.1 -2,-0.2 -4,-0.6 -1,-0.2 0.846 121.8 29.3 -88.7 -40.6 -20.3 66.4 13.2 37 40 A V H <5S- 0 0 26 -4,-2.4 90,-0.3 93,-0.1 -2,-0.2 0.504 108.9-114.8 -97.2 -8.7 -20.0 64.8 16.7 38 41 A G T <5 + 0 0 41 -4,-1.2 89,-0.3 -5,-0.3 -3,-0.2 0.971 60.3 153.7 73.7 53.2 -19.1 61.3 15.6 39 42 A G < - 0 0 5 -5,-2.3 3,-0.3 1,-0.2 92,-0.1 -0.034 46.4 -54.0 -95.1-158.6 -22.2 59.6 16.9 40 43 A P S S+ 0 0 19 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 -0.301 109.5 33.4 -79.0 165.9 -24.0 56.4 15.7 41 44 A L S S+ 0 0 29 1,-0.2 2,-0.2 -2,-0.0 9,-0.1 0.837 78.3 154.4 58.9 41.2 -25.2 55.6 12.1 42 45 A T + 0 0 53 -3,-0.3 4,-0.3 -8,-0.1 -1,-0.2 -0.518 30.5 53.0 -92.3 165.0 -22.4 57.4 10.3 43 46 A G S > S- 0 0 13 -2,-0.2 4,-1.8 3,-0.1 5,-0.2 -0.008 94.4 -74.4 92.2 158.7 -21.2 56.6 6.8 44 47 A P H > S+ 0 0 22 0, 0.0 4,-1.6 0, 0.0 5,-0.2 0.946 121.9 40.9 -57.0 -61.0 -23.2 56.2 3.5 45 48 A P H > S+ 0 0 0 0, 0.0 4,-2.0 0, 0.0 298,-0.1 0.911 119.5 43.1 -60.5 -44.0 -24.9 52.8 3.9 46 49 A L H > S+ 0 0 14 -4,-0.3 4,-1.9 1,-0.2 5,-0.1 0.857 110.1 55.2 -72.1 -33.4 -25.9 53.1 7.5 47 50 A S H X S+ 0 0 1 -4,-1.8 4,-1.0 1,-0.2 -1,-0.2 0.840 110.2 48.2 -67.6 -30.0 -27.1 56.8 7.3 48 51 A A H X S+ 0 0 0 -4,-1.6 4,-2.3 -5,-0.2 3,-0.4 0.928 106.9 56.1 -72.4 -43.5 -29.4 55.7 4.5 49 52 A R H X S+ 0 0 5 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.855 102.6 55.9 -55.8 -40.1 -30.7 52.8 6.5 50 53 A A H X S+ 0 0 3 -4,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.901 109.6 46.0 -60.5 -42.0 -31.7 55.1 9.3 51 54 A L H X S+ 0 0 4 -4,-1.0 4,-2.5 -3,-0.4 -2,-0.2 0.875 110.6 53.1 -69.3 -38.0 -33.9 57.1 6.9 52 55 A G H X S+ 0 0 0 -4,-2.3 4,-1.5 284,-0.3 -2,-0.2 0.925 111.9 45.5 -62.3 -44.7 -35.4 54.0 5.4 53 56 A M H X S+ 0 0 1 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.900 111.5 52.4 -64.7 -43.8 -36.4 52.8 8.9 54 57 A L H X S+ 0 0 1 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.951 113.3 43.7 -57.3 -51.2 -37.8 56.2 9.9 55 58 A H H X S+ 0 0 0 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.727 109.5 54.8 -71.6 -22.0 -39.9 56.4 6.8 56 59 A L H X S+ 0 0 0 -4,-1.5 4,-2.7 2,-0.2 5,-0.3 0.920 110.1 47.9 -74.5 -42.3 -41.2 52.8 7.0 57 60 A A H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 5,-0.2 0.941 114.5 45.3 -61.1 -49.2 -42.4 53.4 10.5 58 61 A I H X S+ 0 0 0 -4,-2.2 4,-2.8 -5,-0.2 5,-0.3 0.931 112.4 53.9 -59.2 -45.7 -44.1 56.7 9.5 59 62 A H H X S+ 0 0 0 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.945 113.9 38.1 -54.1 -59.1 -45.6 55.0 6.5 60 63 A D H X S+ 0 0 0 -4,-2.7 4,-1.1 2,-0.2 -1,-0.2 0.839 115.8 53.5 -66.5 -33.2 -47.2 52.1 8.3 61 64 A A H X S+ 0 0 0 -4,-2.4 4,-1.2 -5,-0.3 3,-0.3 0.973 115.0 40.1 -64.7 -51.4 -48.3 54.3 11.3 62 65 A Y H X S+ 0 0 4 -4,-2.8 4,-2.5 1,-0.2 3,-0.4 0.943 117.4 46.5 -61.8 -53.5 -50.0 56.8 9.0 63 66 A F H < S+ 0 0 7 -4,-2.6 -1,-0.2 -5,-0.3 -2,-0.2 0.640 103.7 62.8 -68.3 -16.5 -51.6 54.3 6.6 64 67 A S H < S+ 0 0 22 -4,-1.1 -1,-0.2 -3,-0.3 -2,-0.2 0.903 113.6 35.8 -72.0 -40.6 -52.8 52.1 9.4 65 68 A I H < S+ 0 0 28 -4,-1.2 -2,-0.2 -3,-0.4 -1,-0.1 0.840 130.4 33.3 -79.5 -37.4 -55.0 54.9 10.6 66 69 A C S < S- 0 0 49 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.1 -0.778 91.7-145.7-121.1 83.7 -55.8 56.2 7.0 67 70 A P - 0 0 100 0, 0.0 -3,-0.1 0, 0.0 5,-0.1 -0.213 12.4-132.4 -52.6 129.0 -55.9 53.1 4.8 68 71 A P - 0 0 33 0, 0.0 5,-0.1 0, 0.0 0, 0.0 -0.275 6.6-150.0 -77.3 169.2 -54.6 53.5 1.3 69 72 A T S S+ 0 0 134 3,-0.1 3,-0.0 -2,-0.0 0, 0.0 0.808 88.8 41.1-108.1 -48.2 -56.5 52.3 -1.9 70 73 A D S S+ 0 0 150 2,-0.0 2,-0.3 0, 0.0 -1,-0.0 0.385 127.5 9.6 -85.1 3.2 -53.9 51.5 -4.6 71 74 A F - 0 0 52 0, 0.0 2,-0.2 0, 0.0 494,-0.1 -0.908 69.6-131.1-161.3-175.6 -51.5 49.8 -2.1 72 75 A T - 0 0 106 492,-0.3 2,-0.1 -2,-0.3 -3,-0.1 -0.637 39.0 -64.4-135.1-169.0 -51.2 48.6 1.5 73 76 A T - 0 0 25 -2,-0.2 -1,-0.1 2,-0.1 -13,-0.0 -0.424 42.9-118.2 -79.6 159.2 -48.9 48.8 4.5 74 77 A F S S+ 0 0 11 -18,-0.2 2,-0.3 -2,-0.1 -1,-0.1 0.924 103.1 28.5 -62.0 -48.7 -45.4 47.3 4.4 75 78 A L S S- 0 0 4 491,-0.1 10,-0.1 10,-0.0 -2,-0.1 -0.752 86.0-133.1-108.1 160.2 -46.2 44.9 7.2 76 79 A S B > -a 85 0A 48 8,-0.8 10,-2.3 -2,-0.3 3,-1.1 -0.862 12.0-132.3-119.0 152.3 -49.7 43.5 7.9 77 80 A P T 3 S+ 0 0 48 0, 0.0 11,-0.1 0, 0.0 -1,-0.1 0.671 107.5 54.1 -70.9 -17.4 -51.7 43.2 11.2 78 81 A D T 3 S+ 0 0 148 7,-0.0 2,-0.4 0, 0.0 7,-0.1 0.152 73.4 135.1-104.8 17.6 -52.6 39.6 10.2 79 82 A T < - 0 0 33 -3,-1.1 6,-0.1 1,-0.2 5,-0.0 -0.554 48.0-151.1 -71.3 122.8 -49.1 38.3 9.7 80 83 A E S S+ 0 0 93 -2,-0.4 2,-0.7 4,-0.1 -1,-0.2 0.858 81.9 82.2 -60.2 -36.7 -48.7 34.9 11.4 81 84 A N S > S- 0 0 78 1,-0.2 3,-1.3 3,-0.1 4,-0.2 -0.633 73.9-153.8 -75.2 111.4 -45.0 35.7 11.8 82 85 A A G > S+ 0 0 65 -2,-0.7 3,-1.2 1,-0.3 -1,-0.2 0.816 91.8 61.1 -54.1 -36.7 -44.8 37.9 14.9 83 86 A A G 3 S+ 0 0 49 1,-0.3 -1,-0.3 -3,-0.1 86,-0.1 0.803 113.8 36.3 -63.3 -29.2 -41.6 39.5 13.7 84 87 A Y G < S+ 0 0 28 -3,-1.3 -8,-0.8 2,-0.1 2,-0.5 0.220 91.4 117.8-107.8 12.3 -43.5 40.8 10.7 85 88 A R B < -a 76 0A 102 -3,-1.2 -10,-0.0 -4,-0.2 -5,-0.0 -0.716 55.4-143.8 -88.8 125.1 -46.8 41.5 12.4 86 89 A L - 0 0 2 -10,-2.3 -7,-0.1 -2,-0.5 76,-0.1 -0.668 23.8-112.7 -86.3 136.2 -48.0 45.1 12.4 87 90 A P - 0 0 18 0, 0.0 -1,-0.1 0, 0.0 3,-0.0 -0.191 29.8-110.2 -63.4 160.6 -49.9 46.3 15.6 88 91 A S - 0 0 60 1,-0.1 4,-0.1 -11,-0.1 -24,-0.0 -0.777 9.0-142.6 -98.5 138.0 -53.6 47.3 15.6 89 92 A P > - 0 0 38 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 0.864 27.3-174.2 -61.7 -42.2 -54.8 50.9 16.0 90 93 A N T 3 S- 0 0 141 1,-0.3 3,-0.1 -3,-0.0 -2,-0.0 0.890 75.7 -21.5 42.5 64.2 -57.8 49.8 18.0 91 94 A G T 3 S+ 0 0 67 1,-0.4 -1,-0.3 64,-0.0 64,-0.1 -0.181 101.4 128.2 104.9 -42.9 -59.5 53.2 18.3 92 95 A A < + 0 0 10 -3,-1.8 -1,-0.4 1,-0.1 3,-0.0 -0.253 21.4 160.4 -50.2 129.0 -56.5 55.4 17.6 93 96 A N + 0 0 134 -3,-0.1 2,-0.9 1,-0.1 -1,-0.1 0.232 36.3 102.2-140.2 12.1 -57.6 57.8 14.9 94 97 A D > - 0 0 71 1,-0.2 4,-2.2 2,-0.0 3,-0.3 -0.821 43.4-176.2-104.9 95.9 -55.2 60.7 15.0 95 98 A A H > S+ 0 0 8 -2,-0.9 4,-2.8 1,-0.2 5,-0.3 0.879 80.5 60.1 -57.8 -38.8 -52.7 60.2 12.2 96 99 A R H > S+ 0 0 57 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.913 111.0 39.0 -57.3 -46.9 -50.6 63.2 13.3 97 100 A Q H > S+ 0 0 10 -3,-0.3 4,-2.8 2,-0.2 -1,-0.2 0.856 112.8 56.1 -73.6 -35.2 -49.9 61.8 16.7 98 101 A A H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.923 110.7 45.3 -60.9 -44.4 -49.4 58.3 15.3 99 102 A V H X S+ 0 0 0 -4,-2.8 4,-3.0 2,-0.2 5,-0.2 0.929 111.5 52.9 -63.4 -45.9 -46.7 59.6 13.0 100 103 A A H X S+ 0 0 3 -4,-2.0 4,-2.7 -5,-0.3 5,-0.3 0.920 110.2 48.1 -55.9 -45.6 -45.2 61.6 15.8 101 104 A G H X S+ 0 0 0 -4,-2.8 4,-2.3 2,-0.2 5,-0.3 0.916 113.2 46.7 -61.7 -46.6 -45.0 58.5 18.0 102 105 A A H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 5,-0.2 0.961 115.3 45.7 -60.1 -53.0 -43.4 56.4 15.2 103 106 A A H X S+ 0 0 0 -4,-3.0 4,-2.5 1,-0.2 5,-0.2 0.926 115.8 44.5 -57.6 -52.4 -40.9 59.1 14.3 104 107 A L H X S+ 0 0 4 -4,-2.7 4,-2.3 -5,-0.2 5,-0.2 0.905 115.2 47.3 -62.0 -44.6 -39.8 59.9 17.9 105 108 A K H X S+ 0 0 68 -4,-2.3 4,-2.6 -5,-0.3 5,-0.2 0.940 115.1 45.3 -63.5 -47.7 -39.6 56.2 19.0 106 109 A M H X S+ 0 0 0 -4,-2.5 4,-2.7 -5,-0.3 5,-0.2 0.966 115.6 45.7 -60.5 -53.6 -37.6 55.2 15.9 107 110 A L H X S+ 0 0 2 -4,-2.5 4,-2.6 -5,-0.2 -1,-0.2 0.880 114.6 48.6 -58.6 -41.6 -35.2 58.1 16.0 108 111 A S H X S+ 0 0 44 -4,-2.3 4,-2.1 -5,-0.2 -1,-0.2 0.923 112.5 47.9 -65.0 -45.8 -34.7 57.7 19.8 109 112 A S H < S+ 0 0 20 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.900 115.5 46.2 -61.1 -42.0 -34.0 54.0 19.5 110 113 A L H < S+ 0 0 13 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.900 125.0 28.5 -67.2 -45.4 -31.6 54.6 16.7 111 114 A Y H < S+ 0 0 7 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.470 93.7 109.6 -99.1 -3.9 -29.6 57.5 18.3 112 115 A M S < S- 0 0 98 -4,-2.1 20,-0.0 -5,-0.2 19,-0.0 -0.319 84.4 -88.4 -71.3 158.7 -30.0 56.7 22.0 113 116 A K - 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0 0 46 -4,-2.2 57,-0.0 -5,-0.3 -121,-0.0 -0.489 44.4-163.7 -69.3 133.3 -31.9 47.4 13.1 172 175 A D > - 0 0 26 -2,-0.2 3,-1.6 1,-0.1 -1,-0.1 -0.832 8.9-179.7-119.4 91.6 -28.4 46.1 12.4 173 176 A P T 3 S+ 0 0 91 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 0.860 83.2 49.0 -57.3 -42.1 -26.3 46.9 15.6 174 177 A R T > S+ 0 0 101 1,-0.2 3,-2.1 2,-0.1 49,-0.1 0.248 78.1 132.0 -85.8 14.6 -23.1 45.4 14.2 175 178 A G T < S+ 0 0 2 -3,-1.6 48,-0.3 1,-0.3 47,-0.2 0.794 71.7 31.1 -30.4 -75.3 -23.5 47.2 10.9 176 179 A A T 3 S+ 0 0 40 -3,-0.2 44,-0.8 46,-0.1 -1,-0.3 0.165 83.1 149.9 -80.9 19.3 -20.0 48.8 10.2 177 180 A S < + 0 0 21 -3,-2.1 45,-0.7 1,-0.1 46,-0.2 -0.287 19.6 174.0 -56.9 129.2 -18.1 46.0 12.0 178 181 A Q > + 0 0 42 42,-0.1 3,-2.0 43,-0.1 2,-0.2 0.283 25.6 143.3-118.2 5.1 -14.6 45.5 10.5 179 182 A E T 3 S+ 0 0 152 1,-0.3 3,-0.1 3,-0.0 -2,-0.0 -0.285 75.1 9.6 -55.1 111.0 -13.4 42.9 13.0 180 183 A G T 3 S+ 0 0 62 1,-0.3 -1,-0.3 -2,-0.2 2,-0.2 0.065 95.9 122.5 107.7 -23.0 -11.3 40.4 11.2 181 184 A Y < + 0 0 26 -3,-2.0 -1,-0.3 37,-0.1 -3,-0.0 -0.505 29.7 170.1 -79.0 141.8 -11.0 42.1 7.8 182 185 A H - 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0 0 73 -28,-0.4 2,-1.7 -2,-0.2 3,-0.4 -0.986 29.6-141.5-135.4 119.4 -29.3 55.2 -22.1 532 535 A Y + 0 0 28 -2,-0.4 -2,-0.0 1,-0.2 -28,-0.0 -0.593 60.9 119.7 -84.6 81.7 -27.8 52.8 -19.6 533 536 A T + 0 0 80 -2,-1.7 2,-0.2 -33,-0.1 -1,-0.2 0.621 30.2 110.3-118.2 -20.9 -27.9 49.6 -21.7 534 537 A T - 0 0 49 -3,-0.4 13,-0.6 -34,-0.1 2,-0.2 -0.419 48.4-172.7 -64.0 126.0 -24.3 48.5 -22.1 535 538 A R E -M 546 0M 127 -2,-0.2 2,-0.2 11,-0.2 -2,-0.0 -0.730 10.3-163.6-119.2 167.7 -23.7 45.2 -20.1 536 539 A G E -M 545 0M 10 9,-2.7 9,-3.0 -2,-0.2 2,-0.2 -0.817 21.7 -95.1-139.5-178.6 -20.7 43.0 -19.2 537 540 A T - 0 0 57 -2,-0.2 -297,-2.4 7,-0.2 2,-0.4 -0.540 18.9-144.7-103.0 164.8 -19.9 39.5 -17.9 538 541 A R - 0 0 12 3,-0.7 3,-0.1 5,-0.4 5,-0.1 -0.978 11.1-143.7-126.1 140.6 -19.1 38.0 -14.5 539 542 A E S S+ 0 0 130 -2,-0.4 -1,-0.1 1,-0.2 -300,-0.0 0.890 101.5 42.5 -70.3 -41.1 -16.6 35.3 -14.0 540 543 A D S S+ 0 0 88 1,-0.1 2,-0.3 2,-0.0 -1,-0.2 0.548 116.4 47.2 -84.4 -9.7 -18.6 33.6 -11.2 541 544 A E S S- 0 0 63 -3,-0.1 -3,-0.7 2,-0.1 2,-0.2 -0.987 75.7-122.9-138.8 146.5 -22.0 33.9 -12.9 542 545 A E + 0 0 191 -2,-0.3 2,-0.2 -5,-0.1 -3,-0.1 -0.567 69.8 39.3 -82.4 146.5 -23.6 33.2 -16.3 543 546 A G S S- 0 0 44 -2,-0.2 2,-0.4 -5,-0.1 -5,-0.4 -0.629 89.1 -58.2 115.6-175.0 -25.3 36.1 -18.1 544 547 A L - 0 0 118 -2,-0.2 -7,-0.2 -7,-0.1 -2,-0.1 -0.951 48.6-172.6-114.6 132.4 -25.0 39.8 -18.8 545 548 A F E -M 536 0M 30 -9,-3.0 -9,-2.7 -2,-0.4 -307,-0.2 -0.855 27.8 -96.5-124.6 156.7 -24.9 42.2 -15.9 546 549 A P E -M 535 0M 7 0, 0.0 -307,-2.7 0, 0.0 2,-0.5 -0.275 32.3-132.0 -68.8 159.8 -25.0 46.1 -15.6 547 550 A I + 0 0 27 -13,-0.6 -47,-0.6 -309,-0.2 3,-0.1 -0.966 62.5 1.3-117.4 123.5 -21.8 48.1 -15.2 548 551 A G S > S- 0 0 0 -2,-0.5 4,-1.1 -309,-0.2 -50,-0.3 -0.049 88.5 -71.3 92.2 166.2 -21.5 50.8 -12.6 549 552 A G H > S+ 0 0 0 -52,-2.7 4,-2.4 2,-0.2 5,-0.2 0.806 117.6 61.4 -69.6 -35.5 -23.7 52.2 -9.8 550 553 A V H > S+ 0 0 1 -52,-2.8 4,-2.5 2,-0.2 5,-0.2 0.965 106.7 44.9 -59.8 -52.6 -26.3 54.1 -11.8 551 554 A P H > S+ 0 0 15 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.884 113.4 52.6 -57.7 -38.1 -27.6 51.0 -13.6 552 555 A L H X S+ 0 0 0 -4,-1.1 4,-2.3 2,-0.2 -2,-0.2 0.905 109.9 47.9 -63.1 -43.8 -27.6 49.0 -10.3 553 556 A G H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 -1,-0.2 0.913 111.8 48.7 -64.2 -45.4 -29.6 51.8 -8.6 554 557 A I H X S+ 0 0 22 -4,-2.5 4,-2.6 2,-0.2 5,-0.2 0.929 111.3 50.8 -59.1 -46.5 -32.2 51.9 -11.4 555 558 A E H X S+ 0 0 64 -4,-2.4 4,-1.8 -5,-0.2 -2,-0.2 0.912 112.1 47.2 -57.7 -47.3 -32.5 48.1 -11.3 556 559 A I H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.942 112.5 48.0 -61.6 -50.2 -33.1 48.1 -7.6 557 560 A A H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 5,-0.2 0.890 110.1 52.4 -59.7 -43.3 -35.7 51.0 -7.7 558 561 A D H X S+ 0 0 37 -4,-2.6 4,-2.8 1,-0.2 -1,-0.2 0.913 109.8 49.2 -59.7 -44.2 -37.6 49.4 -10.5 559 562 A E H X S+ 0 0 34 -4,-1.8 4,-1.6 -5,-0.2 -2,-0.2 0.923 112.0 46.7 -61.9 -48.7 -37.9 46.0 -8.6 560 563 A I H <>S+ 0 0 0 -4,-2.1 5,-2.6 2,-0.2 6,-0.2 0.929 115.9 45.8 -60.4 -46.0 -39.1 47.6 -5.4 561 564 A F H ><5S+ 0 0 58 -4,-2.4 3,-1.8 1,-0.2 -2,-0.2 0.921 109.9 53.6 -64.0 -45.3 -41.7 49.7 -7.2 562 565 A N H 3<5S+ 0 0 106 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.799 109.9 48.2 -59.9 -33.2 -42.9 46.8 -9.3 563 566 A N T 3<5S- 0 0 74 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.379 115.7-118.8 -88.0 3.1 -43.5 44.8 -6.2 564 567 A G T < 5 - 0 0 34 -3,-1.8 -492,-0.3 -4,-0.1 -3,-0.2 0.765 65.7 -56.6 65.3 32.5 -45.3 47.7 -4.6 565 568 A L S - 0 0 21 0, 0.0 3,-2.6 0, 0.0 4,-0.3 -0.400 23.2-130.6 -58.3 127.8 -39.1 37.4 1.8 570 573 A P G > S+ 0 0 62 0, 0.0 3,-0.9 0, 0.0 -2,-0.1 0.711 102.1 71.9 -51.8 -22.0 -37.2 36.0 4.8 571 574 A E G 3 S+ 0 0 156 1,-0.2 -3,-0.0 0, 0.0 0, 0.0 0.696 103.5 40.4 -69.2 -20.4 -36.3 32.9 2.8 572 575 A I G < S+ 0 0 68 -3,-2.6 -1,-0.2 2,-0.1 -4,-0.0 0.342 88.8 112.8-109.4 4.1 -33.8 35.0 0.7 573 576 A Q < 0 0 32 -3,-0.9 -345,-0.1 -4,-0.3 -346,-0.1 -0.371 360.0 360.0 -71.2 154.4 -32.4 37.1 3.5 574 577 A P 0 0 83 0, 0.0 -1,-0.1 0, 0.0 -348,-0.1 -0.439 360.0 360.0 -63.6 360.0 -28.7 36.4 4.3