==== 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 1VNF . 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) . 21984.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 346 60.3 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 . 33 5.7 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 . 54 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 197 34.3 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 . 8 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 0 109 0, 0.0 128,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 157.5 -25.1 73.5 27.5 2 5 A T - 0 0 85 1,-0.0 2,-0.2 3,-0.0 131,-0.0 -0.655 360.0-132.0 -76.8 116.3 -24.1 76.1 24.9 3 6 A P - 0 0 63 0, 0.0 130,-0.0 0, 0.0 -1,-0.0 -0.512 22.9-111.6 -68.6 137.9 -26.3 75.6 21.9 4 7 A I - 0 0 13 -2,-0.2 2,-0.9 1,-0.1 451,-0.2 -0.528 27.1-124.3 -71.1 129.9 -24.5 75.5 18.6 5 8 A P - 0 0 39 0, 0.0 453,-0.4 0, 0.0 -1,-0.1 -0.696 30.2-156.4 -78.1 109.5 -25.3 78.6 16.5 6 9 A L - 0 0 39 -2,-0.9 3,-0.1 451,-0.1 2,-0.0 -0.687 16.8-114.2 -90.0 136.4 -26.6 77.2 13.2 7 10 A P - 0 0 8 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.352 40.9 -89.9 -67.3 154.0 -26.4 79.3 10.0 8 11 A K - 0 0 169 1,-0.1 2,-0.3 -2,-0.0 436,-0.0 -0.341 38.3-125.5 -65.1 140.1 -29.6 80.4 8.3 9 12 A I - 0 0 30 2,-0.1 2,-1.5 -3,-0.1 -1,-0.1 -0.683 16.1-125.4 -88.8 138.0 -31.1 78.2 5.7 10 13 A D S S+ 0 0 57 -2,-0.3 427,-0.3 427,-0.1 -1,-0.1 -0.627 70.4 105.1 -85.0 85.8 -31.8 79.6 2.2 11 14 A E S S- 0 0 41 -2,-1.5 2,-0.1 425,-0.1 -2,-0.1 -0.970 80.7 -89.3-162.8 142.0 -35.5 78.8 1.9 12 15 A P > - 0 0 45 0, 0.0 3,-1.9 0, 0.0 4,-0.3 -0.372 34.2-137.7 -55.6 124.2 -38.8 80.7 2.1 13 16 A E G > S+ 0 0 169 1,-0.3 3,-0.7 2,-0.2 -3,-0.0 0.681 96.2 78.0 -61.4 -15.1 -39.9 80.5 5.8 14 17 A E G > S+ 0 0 99 1,-0.2 3,-2.3 2,-0.1 4,-0.3 0.834 76.9 75.3 -62.6 -30.8 -43.4 79.8 4.6 15 18 A Y G X S+ 0 0 4 -3,-1.9 3,-1.8 1,-0.3 7,-0.3 0.889 88.4 57.7 -48.1 -47.7 -42.4 76.2 3.9 16 19 A N G < S+ 0 0 42 -3,-0.7 -1,-0.3 -4,-0.3 -2,-0.1 0.288 83.0 80.7 -72.8 11.3 -42.4 75.4 7.6 17 20 A T G < S+ 0 0 58 -3,-2.3 2,-0.6 128,-0.1 -1,-0.3 0.617 81.0 78.7 -86.5 -14.2 -46.1 76.4 8.1 18 21 A N S <> S- 0 0 0 -3,-1.8 4,-2.7 -4,-0.3 5,-0.2 -0.848 79.7-146.4 -93.5 120.0 -46.8 73.0 6.7 19 22 A Y H > S+ 0 0 4 -2,-0.6 4,-1.5 300,-0.3 -1,-0.1 0.699 96.3 56.1 -63.7 -19.8 -46.4 70.3 9.4 20 23 A I H > S+ 0 0 0 2,-0.2 4,-1.8 1,-0.1 -1,-0.2 0.960 112.6 41.6 -74.7 -49.3 -45.2 67.7 7.0 21 24 A L H > S+ 0 0 0 -6,-0.2 4,-3.2 1,-0.2 -2,-0.2 0.907 111.1 58.7 -61.6 -40.9 -42.4 70.0 5.8 22 25 A F H X S+ 0 0 5 -4,-2.7 4,-1.8 -7,-0.3 -1,-0.2 0.904 107.9 44.1 -55.4 -47.5 -41.7 71.1 9.3 23 26 A W H X S+ 0 0 3 -4,-1.5 4,-1.6 2,-0.2 -1,-0.2 0.831 111.8 53.0 -69.2 -30.7 -40.9 67.6 10.5 24 27 A N H X S+ 0 0 0 -4,-1.8 4,-2.3 1,-0.2 3,-0.3 0.952 109.0 51.7 -64.2 -47.1 -38.8 66.9 7.4 25 28 A H H X S+ 0 0 24 -4,-3.2 4,-2.2 1,-0.3 -2,-0.2 0.846 105.7 53.8 -55.6 -42.0 -36.9 70.1 8.3 26 29 A V H X S+ 0 0 2 -4,-1.8 4,-1.9 2,-0.2 -1,-0.3 0.868 107.6 51.5 -64.0 -35.6 -36.4 68.8 11.9 27 30 A G H X S+ 0 0 3 -4,-1.6 4,-1.9 -3,-0.3 -2,-0.2 0.922 109.5 49.8 -66.2 -43.5 -34.9 65.6 10.4 28 31 A L H X S+ 0 0 6 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.873 108.7 52.7 -63.1 -38.3 -32.6 67.7 8.2 29 32 A E H X S+ 0 0 19 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.884 108.9 48.4 -64.6 -42.6 -31.5 69.8 11.3 30 33 A L H X S+ 0 0 0 -4,-1.9 4,-3.0 2,-0.2 5,-0.3 0.886 108.2 58.2 -64.5 -36.2 -30.6 66.7 13.2 31 34 A N H X S+ 0 0 1 -4,-1.9 4,-1.4 1,-0.2 -2,-0.2 0.975 112.3 37.3 -56.9 -57.1 -28.7 65.5 10.2 32 35 A R H X S+ 0 0 5 -4,-2.2 4,-0.7 1,-0.2 261,-0.7 0.859 117.4 51.3 -67.1 -34.3 -26.4 68.6 10.1 33 36 A V H >X S+ 0 0 3 -4,-2.4 4,-2.4 2,-0.2 3,-0.9 0.919 107.2 52.5 -68.7 -43.3 -26.1 68.8 13.9 34 37 A T H 3X>S+ 0 0 0 -4,-3.0 5,-2.4 1,-0.3 4,-1.2 0.857 109.2 51.0 -62.5 -32.2 -25.1 65.2 14.3 35 38 A H H 3<5S+ 0 0 20 -4,-1.4 -1,-0.3 -5,-0.3 -2,-0.2 0.679 110.5 49.6 -78.4 -16.1 -22.4 65.7 11.7 36 39 A T H <<5S+ 0 0 21 -3,-0.9 -2,-0.2 -4,-0.7 -1,-0.2 0.852 122.1 31.0 -86.8 -41.0 -21.1 68.7 13.6 37 40 A V H <5S- 0 0 27 -4,-2.4 90,-0.3 93,-0.1 -2,-0.2 0.471 108.8-114.9 -96.7 -4.0 -20.9 67.0 17.0 38 41 A G T <5 + 0 0 42 -4,-1.2 89,-0.3 -5,-0.3 -3,-0.2 0.953 60.8 155.3 69.5 48.5 -20.2 63.5 15.8 39 42 A G < - 0 0 3 -5,-2.4 3,-0.4 1,-0.2 72,-0.0 -0.073 45.8 -55.9 -91.2-163.3 -23.4 62.0 17.0 40 43 A P S S+ 0 0 21 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 -0.241 110.1 33.9 -75.6 165.1 -25.3 58.9 15.8 41 44 A L S S+ 0 0 28 1,-0.2 9,-0.1 69,-0.0 2,-0.1 0.833 78.9 155.1 60.8 39.1 -26.4 58.1 12.2 42 45 A T + 0 0 52 -3,-0.4 4,-0.3 -8,-0.1 -1,-0.2 -0.407 31.1 52.1 -88.1 168.8 -23.5 59.8 10.5 43 46 A G S > S- 0 0 10 3,-0.1 4,-1.8 -2,-0.1 5,-0.2 0.126 93.5 -79.4 86.0 155.3 -22.2 59.0 7.1 44 47 A P H > S+ 0 0 22 0, 0.0 4,-1.5 0, 0.0 5,-0.2 0.918 119.3 46.1 -61.4 -52.0 -24.2 58.8 3.8 45 48 A P H > S+ 0 0 0 0, 0.0 4,-1.4 0, 0.0 298,-0.1 0.938 119.5 39.1 -61.2 -45.3 -25.9 55.3 3.9 46 49 A L H > S+ 0 0 13 -4,-0.3 4,-2.0 2,-0.2 5,-0.1 0.862 111.0 56.3 -73.6 -35.9 -27.2 55.6 7.5 47 50 A S H X S+ 0 0 1 -4,-1.8 4,-1.2 1,-0.2 -1,-0.2 0.851 108.3 50.2 -64.7 -30.9 -28.2 59.2 7.5 48 51 A A H X S+ 0 0 1 -4,-1.5 4,-2.0 -5,-0.2 292,-0.3 0.899 106.3 56.2 -70.5 -38.4 -30.4 58.4 4.5 49 52 A R H X S+ 0 0 4 -4,-1.4 4,-2.6 1,-0.2 5,-0.2 0.893 102.1 55.6 -60.0 -42.7 -31.9 55.5 6.5 50 53 A A H X S+ 0 0 3 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.915 109.4 46.3 -56.6 -44.8 -32.9 57.9 9.3 51 54 A L H X S+ 0 0 5 -4,-1.2 4,-2.3 2,-0.2 -1,-0.2 0.840 110.9 52.6 -68.1 -35.4 -34.9 60.0 6.8 52 55 A G H X S+ 0 0 0 -4,-2.0 4,-1.5 284,-0.3 -2,-0.2 0.916 111.3 46.4 -66.3 -42.1 -36.5 57.0 5.3 53 56 A M H X S+ 0 0 2 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.915 111.6 52.2 -66.5 -42.0 -37.7 55.7 8.7 54 57 A L H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.943 113.4 42.2 -59.3 -50.9 -39.0 59.2 9.6 55 58 A H H X S+ 0 0 1 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.720 110.9 55.3 -73.0 -19.4 -41.1 59.6 6.5 56 59 A L H X S+ 0 0 0 -4,-1.5 4,-2.4 2,-0.2 5,-0.2 0.937 110.7 46.4 -75.4 -44.9 -42.4 56.0 6.5 57 60 A A H X S+ 0 0 0 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.909 115.7 45.4 -61.2 -45.2 -43.6 56.6 10.1 58 61 A I H X S+ 0 0 0 -4,-2.2 4,-2.8 2,-0.2 5,-0.3 0.950 110.2 55.8 -62.6 -49.0 -45.2 60.0 9.1 59 62 A H H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.909 112.9 39.3 -50.0 -53.3 -46.7 58.4 6.0 60 63 A D H X S+ 0 0 0 -4,-2.4 4,-0.9 2,-0.2 -1,-0.2 0.819 112.8 55.6 -72.2 -29.5 -48.5 55.7 7.8 61 64 A A H X S+ 0 0 0 -4,-1.9 4,-1.4 -5,-0.2 3,-0.4 0.971 115.4 39.0 -65.2 -48.7 -49.5 58.0 10.7 62 65 A Y H X S+ 0 0 5 -4,-2.8 4,-3.0 1,-0.2 3,-0.2 0.952 117.3 46.7 -65.2 -54.7 -51.2 60.4 8.3 63 66 A F H < S+ 0 0 8 -4,-2.6 -1,-0.2 -5,-0.3 -2,-0.2 0.563 105.8 60.5 -69.2 -9.6 -52.7 58.0 5.9 64 67 A S H < S+ 0 0 25 -4,-0.9 -1,-0.2 -3,-0.4 -2,-0.2 0.905 116.2 33.1 -77.7 -46.1 -54.1 55.9 8.7 65 68 A I H < S+ 0 0 25 -4,-1.4 -2,-0.2 1,-0.3 -3,-0.1 0.827 130.8 35.5 -77.9 -34.6 -56.1 58.9 9.9 66 69 A C S < S- 0 0 45 -4,-3.0 -1,-0.3 -5,-0.2 -2,-0.1 -0.698 92.7-146.0-122.9 78.3 -56.7 60.3 6.4 67 70 A P - 0 0 99 0, 0.0 2,-0.2 0, 0.0 -3,-0.1 -0.065 10.4-133.7 -46.9 131.7 -57.1 57.2 4.1 68 71 A P - 0 0 34 0, 0.0 5,-0.1 0, 0.0 -5,-0.0 -0.496 6.8-152.3 -86.3 161.2 -55.7 57.5 0.6 69 72 A T S S+ 0 0 137 -2,-0.2 0, 0.0 3,-0.1 0, 0.0 0.878 87.2 40.6-101.4 -51.3 -57.6 56.4 -2.6 70 73 A D S S+ 0 0 156 2,-0.0 2,-0.3 0, 0.0 -1,-0.1 0.415 127.1 9.3 -82.6 2.7 -55.0 55.4 -5.2 71 74 A F S S- 0 0 63 494,-0.0 2,-0.2 0, 0.0 494,-0.1 -0.909 71.5-131.2-161.1-176.7 -52.7 53.6 -2.9 72 75 A T - 0 0 98 492,-0.3 -8,-0.1 -2,-0.3 -3,-0.1 -0.731 37.0 -63.6-138.5-176.0 -52.5 52.4 0.7 73 76 A T - 0 0 17 -2,-0.2 -1,-0.1 -10,-0.1 -13,-0.1 -0.319 41.4-120.6 -71.0 156.1 -50.3 52.5 3.8 74 77 A F S S+ 0 0 14 -18,-0.2 2,-0.3 492,-0.1 -1,-0.1 0.946 102.2 29.5 -61.3 -52.3 -46.9 50.8 3.9 75 78 A L S S- 0 0 3 491,-0.1 10,-0.1 10,-0.0 -2,-0.1 -0.751 83.9-140.9-105.1 156.9 -47.9 48.5 6.7 76 79 A S B > -a 85 0A 49 8,-0.9 10,-2.6 -2,-0.3 3,-0.9 -0.834 16.3-129.7-118.8 156.5 -51.4 47.3 7.3 77 80 A P T 3 S+ 0 0 47 0, 0.0 11,-0.1 0, 0.0 8,-0.1 0.574 106.0 59.6 -79.0 -6.5 -53.4 46.8 10.5 78 81 A D T 3 S+ 0 0 149 7,-0.0 2,-0.3 3,-0.0 7,-0.1 0.194 70.6 128.0-105.8 13.9 -54.4 43.3 9.3 79 82 A T < - 0 0 33 -3,-0.9 6,-0.0 5,-0.2 5,-0.0 -0.574 49.8-153.5 -73.3 129.3 -51.0 41.8 9.0 80 83 A E S S+ 0 0 90 -2,-0.3 2,-0.8 4,-0.1 -1,-0.2 0.816 80.0 85.5 -70.0 -32.2 -50.7 38.5 10.9 81 84 A N S > S- 0 0 78 1,-0.2 3,-2.0 3,-0.1 4,-0.1 -0.638 74.9-152.0 -73.5 109.5 -47.0 39.1 11.2 82 85 A A G > S+ 0 0 65 -2,-0.8 3,-1.1 1,-0.3 -1,-0.2 0.789 92.1 63.0 -52.9 -32.0 -46.8 41.3 14.3 83 86 A A G 3 S+ 0 0 46 1,-0.3 -1,-0.3 85,-0.0 86,-0.1 0.692 112.9 34.8 -68.6 -20.8 -43.6 42.9 13.0 84 87 A Y G < S+ 0 0 30 -3,-2.0 -8,-0.9 2,-0.1 2,-0.7 0.119 90.0 117.5-118.7 17.1 -45.5 44.3 10.1 85 88 A R B < -a 76 0A 113 -3,-1.1 -10,-0.0 -4,-0.1 -3,-0.0 -0.796 55.9-145.8 -94.3 112.5 -48.8 45.0 11.8 86 89 A L - 0 0 3 -10,-2.6 -7,-0.1 -2,-0.7 76,-0.1 -0.523 21.2-114.1 -76.5 136.8 -49.7 48.7 11.9 87 90 A P - 0 0 19 0, 0.0 -1,-0.1 0, 0.0 3,-0.0 -0.273 30.0-117.0 -66.3 160.7 -51.6 50.0 15.0 88 91 A S - 0 0 58 1,-0.1 4,-0.1 -11,-0.1 -24,-0.0 -0.807 6.0-134.8-104.8 143.2 -55.2 51.2 14.6 89 92 A P > - 0 0 41 0, 0.0 3,-1.5 0, 0.0 -1,-0.1 0.889 28.0-172.9 -57.0 -46.9 -56.4 54.8 15.3 90 93 A N T 3 S- 0 0 147 1,-0.3 3,-0.1 2,-0.1 -2,-0.0 0.908 79.7 -19.7 47.7 56.0 -59.4 53.6 17.3 91 94 A G T 3 S+ 0 0 62 1,-0.4 -1,-0.3 64,-0.0 64,-0.1 -0.140 104.0 125.3 112.1 -39.4 -60.9 57.1 17.6 92 95 A A < + 0 0 10 -3,-1.5 -1,-0.4 1,-0.1 -2,-0.1 -0.340 20.0 157.2 -56.8 128.3 -57.8 59.2 16.9 93 96 A N + 0 0 132 -3,-0.1 2,-1.0 -4,-0.1 -1,-0.1 0.230 34.2 108.0-140.1 12.8 -58.6 61.6 14.1 94 97 A D > - 0 0 66 1,-0.2 4,-2.2 2,-0.1 3,-0.2 -0.767 41.3-177.2 -98.6 92.8 -56.1 64.4 14.5 95 98 A A H > S+ 0 0 7 -2,-1.0 4,-2.9 1,-0.2 5,-0.2 0.854 80.7 57.5 -56.4 -38.8 -53.6 63.9 11.6 96 99 A R H > S+ 0 0 54 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.922 112.0 40.0 -59.9 -46.6 -51.5 66.9 12.8 97 100 A Q H > S+ 0 0 11 -3,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.813 112.6 57.0 -73.7 -29.5 -50.9 65.3 16.2 98 101 A A H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.971 109.7 44.2 -63.5 -52.5 -50.5 61.9 14.7 99 102 A V H X S+ 0 0 0 -4,-2.9 4,-3.1 1,-0.2 5,-0.3 0.904 112.1 54.3 -58.5 -41.5 -47.7 63.1 12.5 100 103 A A H X S+ 0 0 3 -4,-2.0 4,-2.9 -5,-0.2 5,-0.3 0.924 110.5 45.4 -59.6 -46.3 -46.2 65.0 15.5 101 104 A G H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 5,-0.3 0.900 114.7 47.4 -64.4 -43.4 -46.2 61.8 17.6 102 105 A A H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 5,-0.2 0.974 117.0 42.8 -61.8 -52.8 -44.7 59.7 14.8 103 106 A A H X S+ 0 0 0 -4,-3.1 4,-2.5 1,-0.2 5,-0.3 0.933 116.1 46.6 -60.3 -51.4 -42.0 62.2 14.0 104 107 A L H X S+ 0 0 5 -4,-2.9 4,-1.9 -5,-0.3 -1,-0.2 0.900 115.8 45.9 -59.6 -43.7 -41.1 63.0 17.6 105 108 A K H X S+ 0 0 64 -4,-2.2 4,-2.6 -5,-0.3 5,-0.2 0.947 114.3 46.4 -65.4 -50.3 -41.0 59.4 18.6 106 109 A M H X S+ 0 0 0 -4,-2.7 4,-2.8 -5,-0.3 -2,-0.2 0.961 114.8 45.9 -57.9 -52.8 -38.9 58.2 15.6 107 110 A L H X S+ 0 0 2 -4,-2.5 4,-3.0 1,-0.2 -1,-0.2 0.859 114.2 49.0 -60.6 -38.2 -36.4 61.0 15.8 108 111 A S H X S+ 0 0 37 -4,-1.9 4,-2.3 -5,-0.3 -1,-0.2 0.907 111.5 48.2 -68.1 -43.6 -36.0 60.6 19.6 109 112 A S H < S+ 0 0 38 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.916 116.9 45.2 -62.3 -40.8 -35.5 56.8 19.3 110 113 A L H < S+ 0 0 13 -4,-2.8 -2,-0.2 -5,-0.2 -1,-0.2 0.921 125.3 26.8 -68.3 -47.5 -33.0 57.5 16.5 111 114 A Y H < S+ 0 0 4 -4,-3.0 -2,-0.2 -5,-0.2 -3,-0.2 0.539 98.1 95.6-100.2 -5.8 -31.0 60.3 18.1 112 115 A M S < S- 0 0 79 -4,-2.3 20,-0.0 -5,-0.2 19,-0.0 -0.376 85.7 -74.7 -90.0 165.6 -31.3 59.8 21.9 113 116 A K - 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