==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 09-NOV-07 3BB0 . COMPND 2 MOLECULE: VANADIUM CHLOROPEROXIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CURVULARIA INAEQUALIS; . AUTHOR A.MESSERSCHMIDT,S.MACEDO-RIBEIRO . 576 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22360.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 343 59.5 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 . 35 6.1 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 . 4 0.7 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 . 27 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 56 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 196 34.0 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+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 . 9 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 0 116 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 98.3 7.4 51.8 -26.8 2 5 A T - 0 0 86 1,-0.1 131,-0.0 3,-0.0 0, 0.0 -0.749 360.0-118.6 -82.2 117.8 10.1 53.5 -24.6 3 6 A P - 0 0 54 0, 0.0 -1,-0.1 0, 0.0 130,-0.0 -0.309 24.2-108.3 -65.4 141.9 10.7 51.1 -21.6 4 7 A I - 0 0 9 1,-0.1 2,-0.8 129,-0.1 451,-0.1 -0.518 31.7-126.0 -62.1 120.0 10.0 52.4 -18.1 5 8 A P - 0 0 42 0, 0.0 453,-0.4 0, 0.0 -1,-0.1 -0.631 27.4-152.0 -72.4 110.5 13.3 53.0 -16.3 6 9 A L - 0 0 38 -2,-0.8 3,-0.1 451,-0.1 23,-0.0 -0.689 12.2-124.3 -87.9 128.6 12.9 50.9 -13.1 7 10 A P - 0 0 13 0, 0.0 -1,-0.1 0, 0.0 437,-0.0 -0.260 37.7 -81.4 -72.0 159.8 14.9 52.1 -10.1 8 11 A K - 0 0 155 1,-0.1 2,-0.4 2,-0.0 0, 0.0 -0.216 40.6-129.9 -57.2 142.2 17.4 49.9 -8.2 9 12 A I - 0 0 34 2,-0.1 2,-1.6 -3,-0.1 -1,-0.1 -0.821 15.4-126.2 -94.4 134.0 16.0 47.5 -5.6 10 13 A D S S+ 0 0 42 -2,-0.4 427,-0.3 427,-0.1 429,-0.0 -0.634 72.2 105.3 -81.4 85.6 17.6 47.5 -2.2 11 14 A E S S- 0 0 36 -2,-1.6 -2,-0.1 425,-0.1 425,-0.0 -0.953 80.1 -91.2-158.2 141.7 18.5 43.8 -2.0 12 15 A P > - 0 0 50 0, 0.0 3,-1.6 0, 0.0 4,-0.3 -0.366 32.6-130.0 -57.5 137.5 21.7 41.8 -2.3 13 16 A E G > S+ 0 0 158 1,-0.3 3,-1.0 2,-0.2 4,-0.2 0.781 100.4 74.1 -59.7 -28.8 22.4 40.8 -5.9 14 17 A E G > S+ 0 0 102 1,-0.2 3,-1.8 2,-0.2 4,-0.3 0.762 79.4 73.8 -58.4 -25.4 23.1 37.2 -4.8 15 18 A Y G X S+ 0 0 6 -3,-1.6 3,-1.8 1,-0.3 -1,-0.2 0.908 91.5 54.6 -56.7 -43.3 19.3 36.6 -4.2 16 19 A N G < S+ 0 0 24 -3,-1.0 -1,-0.3 -4,-0.3 -2,-0.2 0.443 86.9 78.6 -78.7 2.5 18.5 36.4 -7.9 17 20 A T G < S+ 0 0 60 -3,-1.8 2,-0.5 -4,-0.2 -1,-0.3 0.608 81.3 81.2 -77.7 -13.4 21.2 33.7 -8.4 18 21 A N S <> S- 0 0 0 -3,-1.8 4,-2.6 -4,-0.3 301,-0.1 -0.832 80.0-145.1 -88.2 129.8 18.5 31.3 -7.0 19 22 A Y H > S+ 0 0 5 -2,-0.5 4,-1.9 300,-0.3 5,-0.2 0.807 97.2 52.1 -72.3 -28.6 16.0 30.4 -9.6 20 23 A I H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.951 114.3 43.5 -66.1 -49.6 13.0 30.3 -7.3 21 24 A L H > S+ 0 0 0 -6,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.880 109.7 59.2 -62.0 -36.7 13.8 33.8 -6.0 22 25 A F H X S+ 0 0 4 -4,-2.6 4,-2.0 -7,-0.2 -1,-0.2 0.956 107.6 43.1 -57.2 -51.0 14.5 34.9 -9.5 23 26 A W H X S+ 0 0 4 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.873 111.3 54.9 -68.3 -33.6 11.0 34.1 -10.7 24 27 A N H X S+ 0 0 0 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.949 107.4 52.1 -55.8 -47.8 9.5 35.6 -7.6 25 28 A H H X S+ 0 0 20 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.886 106.4 52.3 -55.9 -43.9 11.4 38.8 -8.5 26 29 A V H X S+ 0 0 4 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.922 107.5 52.8 -60.1 -44.1 10.0 38.8 -12.0 27 30 A G H X S+ 0 0 0 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.907 110.5 47.7 -56.4 -40.9 6.5 38.5 -10.5 28 31 A L H X S+ 0 0 6 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.859 108.3 54.0 -71.4 -34.3 7.3 41.6 -8.3 29 32 A E H X S+ 0 0 22 -4,-2.3 4,-2.7 2,-0.2 5,-0.2 0.913 108.9 48.9 -62.6 -43.7 8.6 43.5 -11.3 30 33 A L H X S+ 0 0 0 -4,-2.3 4,-2.8 2,-0.2 5,-0.2 0.900 108.6 55.8 -63.2 -39.1 5.4 42.9 -13.2 31 34 A N H X S+ 0 0 1 -4,-1.9 4,-1.4 -5,-0.2 -2,-0.2 0.962 112.3 39.9 -55.6 -53.3 3.5 44.1 -10.1 32 35 A R H < S+ 0 0 2 -4,-2.4 261,-0.6 1,-0.2 4,-0.4 0.898 116.3 50.4 -71.1 -33.7 5.3 47.4 -10.0 33 36 A V H >X S+ 0 0 3 -4,-2.7 4,-2.2 1,-0.2 3,-1.5 0.927 106.7 54.1 -66.3 -41.4 5.2 47.9 -13.8 34 37 A T H 3X>S+ 0 0 0 -4,-2.8 5,-2.2 1,-0.3 4,-1.2 0.845 108.1 50.7 -65.5 -29.1 1.5 47.2 -14.0 35 38 A H H 3<5S+ 0 0 23 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.526 112.0 48.2 -82.0 -6.9 0.8 49.9 -11.4 36 39 A T H <45S+ 0 0 21 -3,-1.5 -2,-0.2 -4,-0.4 -1,-0.2 0.746 122.1 31.0 -95.5 -34.3 2.9 52.4 -13.3 37 40 A V H <5S- 0 0 23 -4,-2.2 90,-0.3 -5,-0.1 93,-0.2 0.485 108.3-110.8-106.4 -7.4 1.4 51.8 -16.8 38 41 A G T <5 + 0 0 44 -4,-1.2 89,-0.4 -5,-0.3 -3,-0.2 0.951 63.2 151.7 73.2 53.7 -2.2 50.9 -15.9 39 42 A G < - 0 0 6 -5,-2.2 3,-0.4 1,-0.2 92,-0.1 -0.077 46.0 -57.1 -97.2-160.5 -2.1 47.2 -16.8 40 43 A P S S+ 0 0 19 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 -0.258 108.1 33.0 -74.2 165.5 -3.9 44.1 -15.7 41 44 A L S S+ 0 0 30 1,-0.2 2,-0.1 132,-0.2 9,-0.1 0.799 78.8 159.2 61.4 34.1 -4.0 42.7 -12.1 42 45 A T + 0 0 54 -3,-0.4 4,-0.3 -8,-0.1 -1,-0.2 -0.467 31.1 46.2 -82.7 159.0 -3.9 46.0 -10.4 43 46 A G S > S- 0 0 11 3,-0.1 4,-1.9 -2,-0.1 5,-0.2 0.031 94.2 -73.4 94.2 161.0 -5.0 46.6 -6.8 44 47 A P H > S+ 0 0 17 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.937 120.9 41.4 -60.4 -55.1 -4.3 44.7 -3.6 45 48 A P H > S+ 0 0 0 0, 0.0 4,-2.2 0, 0.0 298,-0.2 0.921 119.9 42.0 -64.9 -41.1 -6.5 41.5 -3.8 46 49 A L H > S+ 0 0 8 -4,-0.3 4,-2.2 2,-0.2 -3,-0.1 0.859 111.7 54.1 -75.4 -33.2 -5.9 40.7 -7.5 47 50 A S H X S+ 0 0 1 -4,-1.9 4,-1.4 2,-0.2 -1,-0.2 0.900 109.8 49.6 -64.7 -33.4 -2.2 41.5 -7.3 48 51 A A H X S+ 0 0 0 -4,-2.0 4,-2.3 -5,-0.2 3,-0.4 0.953 107.9 54.3 -64.9 -46.9 -2.0 39.0 -4.4 49 52 A R H X S+ 0 0 4 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.878 103.3 55.6 -55.0 -42.6 -3.9 36.5 -6.5 50 53 A A H X S+ 0 0 1 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.909 109.9 45.7 -58.9 -42.5 -1.3 36.8 -9.4 51 54 A L H X S+ 0 0 4 -4,-1.4 4,-2.5 -3,-0.4 -2,-0.2 0.870 110.7 52.8 -70.2 -37.0 1.5 35.9 -7.0 52 55 A G H X S+ 0 0 0 -4,-2.3 4,-2.3 284,-0.4 -2,-0.2 0.923 111.9 47.0 -59.5 -43.7 -0.4 33.0 -5.4 53 56 A M H X S+ 0 0 1 -4,-2.7 4,-2.1 -5,-0.2 -2,-0.2 0.926 111.1 50.8 -65.7 -45.8 -0.9 31.7 -9.0 54 57 A L H X S+ 0 0 0 -4,-2.5 4,-2.3 -5,-0.2 -2,-0.2 0.939 114.4 43.9 -52.6 -50.6 2.7 32.2 -9.9 55 58 A H H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 278,-0.2 0.787 109.7 53.7 -78.9 -26.1 3.9 30.3 -6.8 56 59 A L H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 5,-0.3 0.907 111.6 47.1 -64.5 -44.7 1.4 27.4 -7.0 57 60 A A H X S+ 0 0 0 -4,-2.1 4,-2.1 -5,-0.2 -2,-0.2 0.932 114.7 46.0 -61.9 -46.0 2.6 26.8 -10.6 58 61 A I H X S+ 0 0 0 -4,-2.3 4,-2.8 -5,-0.2 5,-0.2 0.935 113.2 52.0 -59.5 -46.7 6.3 27.0 -9.5 59 62 A H H X S+ 0 0 0 -4,-2.4 4,-3.1 1,-0.2 5,-0.2 0.941 112.7 41.2 -56.6 -56.2 5.5 24.7 -6.5 60 63 A D H X S+ 0 0 0 -4,-2.6 4,-0.9 2,-0.2 -1,-0.2 0.840 115.4 51.4 -70.0 -30.4 3.8 21.9 -8.4 61 64 A A H X S+ 0 0 0 -4,-2.1 4,-1.4 -5,-0.3 3,-0.5 0.971 115.8 41.4 -62.9 -52.7 6.3 22.0 -11.3 62 65 A Y H X S+ 0 0 5 -4,-2.8 4,-2.6 1,-0.2 3,-0.5 0.934 115.4 48.3 -61.3 -51.3 9.3 21.8 -8.9 63 66 A F H < S+ 0 0 8 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.580 105.0 60.0 -75.5 -9.6 7.8 19.2 -6.5 64 67 A S H < S+ 0 0 27 -4,-0.9 -1,-0.2 -3,-0.5 -2,-0.2 0.855 114.5 35.9 -75.0 -40.7 6.8 17.0 -9.5 65 68 A I H < S+ 0 0 14 -4,-1.4 -2,-0.2 -3,-0.5 -3,-0.1 0.834 130.6 33.8 -78.3 -35.1 10.4 16.7 -10.5 66 69 A X S < S- 0 0 54 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.1 -0.721 89.5-148.0-122.9 78.5 11.7 16.7 -6.9 67 70 A P - 0 0 102 0, 0.0 -3,-0.1 0, 0.0 2,-0.1 -0.185 10.3-140.9 -57.5 129.2 9.1 14.9 -4.8 68 71 A P - 0 0 34 0, 0.0 5,-0.1 0, 0.0 -5,-0.0 -0.423 6.9-153.7 -83.5 165.3 8.8 16.1 -1.2 69 72 A T S S+ 0 0 135 -2,-0.1 3,-0.0 3,-0.1 0, 0.0 0.745 88.0 49.7-107.9 -32.3 8.3 13.8 1.8 70 73 A D S S+ 0 0 151 2,-0.0 2,-0.3 0, 0.0 -1,-0.0 0.526 123.1 7.5 -89.4 -8.3 6.5 16.0 4.4 71 74 A F S S- 0 0 49 494,-0.0 2,-0.2 0, 0.0 494,-0.1 -0.885 72.3-123.8-154.3-179.1 3.8 17.3 2.0 72 75 A T - 0 0 99 492,-0.4 -3,-0.1 -2,-0.3 4,-0.1 -0.767 39.8 -73.5-124.2 174.3 2.5 16.8 -1.5 73 76 A T - 0 0 24 -2,-0.2 -1,-0.1 -10,-0.1 -13,-0.1 -0.358 44.1-121.7 -58.6 149.7 1.9 18.7 -4.7 74 77 A F S S+ 0 0 11 -18,-0.2 2,-0.3 492,-0.1 -1,-0.1 0.937 101.1 39.6 -63.3 -49.5 -1.2 21.0 -4.3 75 78 A L S S- 0 0 3 491,-0.1 10,-0.1 10,-0.0 -2,-0.1 -0.773 87.2-132.0 -97.5 148.4 -2.8 19.3 -7.3 76 79 A S B > -a 85 0A 45 8,-0.6 10,-2.0 -2,-0.3 3,-0.9 -0.818 5.1-144.8-100.1 139.8 -2.6 15.5 -7.8 77 80 A P T 3 S+ 0 0 46 0, 0.0 11,-0.1 0, 0.0 -1,-0.1 0.616 101.2 58.0 -73.0 -9.4 -1.7 13.9 -11.2 78 81 A D T 3 S+ 0 0 144 7,-0.0 2,-0.1 0, 0.0 7,-0.1 0.413 75.6 124.9-101.5 -0.3 -4.1 11.1 -10.3 79 82 A T < - 0 0 46 -3,-0.9 6,-0.0 5,-0.2 -4,-0.0 -0.367 52.3-150.7 -65.4 135.0 -7.3 13.2 -9.9 80 83 A E S S+ 0 0 89 -2,-0.1 2,-0.7 4,-0.1 -1,-0.1 0.853 78.1 88.1 -72.3 -38.7 -10.3 12.2 -12.1 81 84 A N S > S- 0 0 83 1,-0.2 3,-1.8 3,-0.1 4,-0.4 -0.541 73.2-151.0 -65.2 107.4 -11.6 15.8 -12.2 82 85 A A G > S+ 0 0 66 -2,-0.7 3,-1.4 1,-0.3 -1,-0.2 0.828 91.1 60.5 -52.4 -39.7 -9.8 17.2 -15.2 83 86 A A G 3 S+ 0 0 49 1,-0.3 -1,-0.3 85,-0.1 86,-0.1 0.754 112.6 38.4 -61.5 -26.4 -9.8 20.8 -13.9 84 87 A Y G < S+ 0 0 28 -3,-1.8 2,-0.6 2,-0.1 -8,-0.6 0.291 89.0 118.4-107.4 6.2 -7.8 19.7 -10.8 85 88 A R B < -a 76 0A 108 -3,-1.4 -10,-0.0 -4,-0.4 -5,-0.0 -0.655 55.7-143.2 -87.9 117.5 -5.5 17.2 -12.6 86 89 A L - 0 0 2 -10,-2.0 76,-0.1 -2,-0.6 -7,-0.1 -0.559 24.6-114.3 -72.7 133.6 -1.8 17.9 -12.5 87 90 A P - 0 0 31 0, 0.0 -1,-0.1 0, 0.0 75,-0.0 -0.326 29.4-121.2 -60.0 152.8 0.2 17.0 -15.6 88 91 A S - 0 0 54 -11,-0.1 4,-0.0 1,-0.1 -24,-0.0 -0.742 7.5-134.7 -95.3 147.9 2.7 14.2 -15.3 89 92 A P > - 0 0 45 0, 0.0 3,-2.0 0, 0.0 69,-0.1 0.757 24.2-163.7 -73.2 -26.6 6.4 14.8 -16.2 90 93 A N T 3 S- 0 0 148 1,-0.3 3,-0.1 2,-0.0 -2,-0.0 0.872 78.8 -24.7 41.7 57.3 6.8 11.5 -18.2 91 94 A G T 3 S+ 0 0 75 1,-0.3 -1,-0.3 64,-0.0 2,-0.1 0.068 100.6 136.1 100.2 -25.6 10.6 11.5 -18.2 92 95 A A < + 0 0 8 -3,-2.0 -1,-0.3 62,-0.1 -2,-0.0 -0.383 19.6 164.6 -58.8 129.0 11.1 15.3 -17.7 93 96 A N + 0 0 129 -3,-0.1 2,-0.7 -2,-0.1 -1,-0.1 0.214 34.7 101.7-140.8 15.0 13.8 15.6 -15.0 94 97 A D > - 0 0 74 1,-0.2 4,-2.2 2,-0.0 5,-0.1 -0.867 41.2-175.7-112.3 99.7 15.1 19.2 -15.1 95 98 A A H > S+ 0 0 7 -2,-0.7 4,-2.6 1,-0.2 5,-0.2 0.850 82.1 57.8 -63.7 -38.9 13.6 21.2 -12.2 96 99 A R H > S+ 0 0 59 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.922 112.8 39.9 -57.9 -45.3 15.2 24.5 -13.2 97 100 A Q H > S+ 0 0 10 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.844 111.8 56.6 -76.2 -32.8 13.6 24.4 -16.6 98 101 A A H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.928 110.5 45.3 -60.2 -44.7 10.3 23.0 -15.2 99 102 A V H X S+ 0 0 0 -4,-2.6 4,-3.0 2,-0.2 5,-0.3 0.911 111.2 52.9 -65.9 -43.1 10.1 26.1 -12.9 100 103 A A H X S+ 0 0 2 -4,-2.1 4,-2.8 -5,-0.2 5,-0.3 0.913 111.1 46.8 -57.8 -44.6 11.1 28.5 -15.8 101 104 A G H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 5,-0.3 0.916 114.3 46.8 -64.2 -44.2 8.2 27.0 -18.0 102 105 A A H X S+ 0 0 0 -4,-2.2 4,-2.2 -5,-0.2 5,-0.2 0.932 116.8 43.7 -63.4 -47.3 5.7 27.3 -15.2 103 106 A A H X S+ 0 0 0 -4,-3.0 4,-2.8 2,-0.2 5,-0.3 0.944 116.9 44.7 -64.8 -49.9 6.7 30.8 -14.2 104 107 A L H X S+ 0 0 7 -4,-2.8 4,-2.6 -5,-0.3 5,-0.2 0.920 116.1 45.0 -64.6 -46.1 6.9 32.2 -17.8 105 108 A K H X S+ 0 0 60 -4,-2.4 4,-2.7 -5,-0.3 5,-0.2 0.930 115.8 47.5 -64.3 -43.5 3.7 30.6 -19.0 106 109 A M H X S+ 0 0 0 -4,-2.2 4,-2.4 -5,-0.3 -2,-0.2 0.952 115.9 43.3 -62.2 -47.6 1.8 31.7 -15.9 107 110 A L H X S+ 0 0 2 -4,-2.8 4,-2.5 -5,-0.2 5,-0.2 0.876 114.4 50.3 -68.7 -37.3 3.1 35.3 -16.0 108 111 A S H X S+ 0 0 39 -4,-2.6 4,-2.2 -5,-0.3 -1,-0.2 0.925 111.8 48.4 -63.7 -43.1 2.6 35.5 -19.8 109 112 A S H < S+ 0 0 18 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.905 115.2 45.5 -63.1 -40.6 -1.0 34.2 -19.4 110 113 A L H < S+ 0 0 12 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.913 125.7 27.0 -66.3 -44.1 -1.7 36.7 -16.6 111 114 A Y H < S+ 0 0 6 -4,-2.5 -2,-0.2 -5,-0.1 -3,-0.2 0.534 93.1 104.0-107.0 -8.0 -0.1 39.8 -18.1 112 115 A M S < S- 0 0 97 -4,-2.2 20,-0.1 -5,-0.2 3,-0.0 -0.351 81.3 -91.9 -75.7 155.4 -0.4 39.4 -21.9 113 116 A K - 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0 0 79 -5,-0.2 2,-0.4 1,-0.0 -6,-0.0 -0.568 39.8-142.8 -80.3 139.4 -9.7 49.2 -20.9 126 129 A I - 0 0 28 -2,-0.2 -87,-0.1 1,-0.0 80,-0.1 -0.880 16.7-118.5-108.9 135.6 -6.0 48.6 -20.9 127 130 A S > - 0 0 18 -89,-0.4 4,-1.7 -2,-0.4 5,-0.2 -0.305 15.3-123.8 -70.7 152.8 -3.6 50.4 -23.4 128 131 A D H > S+ 0 0 81 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.898 114.6 57.8 -57.5 -41.5 -1.5 48.7 -25.9 129 132 A N H > S+ 0 0 70 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.910 101.9 54.5 -55.5 -44.5 1.5 50.5 -24.3 130 133 A A H > S+ 0 0 0 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.942 110.6 44.4 -57.7 -48.9 0.7 48.9 -21.0 131 134 A Y H X S+ 0 0 30 -4,-1.7 4,-2.3 1,-0.2 -1,-0.2 0.893 113.6 51.6 -61.3 -39.4 0.8 45.4 -22.4 132 135 A A H X S+ 0 0 38 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.883 107.4 52.1 -65.6 -40.8 4.0 46.2 -24.3 133 136 A Q H X S+ 0 0 8 -4,-2.8 4,-1.5 2,-0.2 -1,-0.2 0.897 112.1 46.0 -61.6 -41.5 5.7 47.5 -21.2 134 137 A L H X S+ 0 0 1 -4,-2.0 4,-2.0 -5,-0.2 -2,-0.2 0.882 108.6 56.5 -70.2 -37.1 4.8 44.2 -19.4 135 138 A G H X S+ 0 0 26 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.891 104.5 53.2 -58.3 -40.4 6.0 42.2 -22.4 136 139 A L H X S+ 0 0 57 -4,-2.0 4,-2.8 2,-0.2 5,-0.2 0.903 104.9 54.3 -64.5 -41.1 9.3 43.8 -22.2 137 140 A V H X S+ 0 0 7 -4,-1.5 4,-1.9 2,-0.2 -1,-0.2 0.938 111.7 45.1 -54.8 -46.8 9.7 42.9 -18.5 138 141 A L H X S+ 0 0 12 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.936 113.4 49.1 -64.1 -46.1 9.0 39.2 -19.4 139 142 A D H X S+ 0 0 108 -4,-2.7 4,-1.1 1,-0.2 -2,-0.2 0.910 111.5 49.1 -60.5 -43.8 11.4 39.3 -22.4 140 143 A R H X S+ 0 0 82 -4,-2.8 4,-1.1 1,-0.2 -1,-0.2 0.861 107.6 56.5 -64.2 -35.1 14.2 40.9 -20.3 141 144 A S H X S+ 0 0 4 -4,-1.9 4,-1.6 -5,-0.2 3,-0.3 0.859 98.5 60.1 -65.0 -39.7 13.6 38.2 -17.6 142 145 A V H < S+ 0 0 23 -4,-1.7 7,-0.2 1,-0.2 -1,-0.2 0.891 108.0 45.1 -56.5 -40.9 14.2 35.4 -20.1 143 146 A L H < S+ 0 0 159 -4,-1.1 -1,-0.2 -3,-0.2 -2,-0.2 0.758 115.7 47.1 -76.1 -22.9 17.7 36.7 -20.7 144 147 A E H < S+ 0 0 109 -4,-1.1 -2,-0.2 -3,-0.3 -1,-0.2 0.598 78.7 121.9 -92.8 -14.7 18.5 37.2 -17.0 145 148 A A S >< S- 0 0 8 -4,-1.6 3,-2.2 -3,-0.2 2,-0.2 -0.250 73.6-108.6 -56.8 130.4 17.2 33.9 -15.7 146 149 A P T 3 S+ 0 0 26 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.440 104.5 9.9 -64.8 125.9 20.1 32.1 -13.8 147 150 A G T 3 S- 0 0 71 -2,-0.2 -2,-0.1 -3,-0.1 -3,-0.0 0.423 119.2-103.3 84.3 -1.4 21.2 29.1 -15.9 148 151 A G < - 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0 0 44 -4,-2.0 57,-0.1 -5,-0.4 -61,-0.0 -0.349 38.5-173.0 -59.6 138.5 -7.7 32.9 -13.1 172 175 A D > + 0 0 38 1,-0.1 3,-1.9 -126,-0.1 4,-0.3 -0.676 7.0 176.3-129.5 77.4 -10.6 35.4 -12.5 173 176 A P T 3 S+ 0 0 89 0, 0.0 3,-0.2 0, 0.0 -132,-0.2 0.793 81.5 31.2 -62.6 -32.5 -10.2 37.8 -15.4 174 177 A R T > S+ 0 0 121 1,-0.2 3,-1.8 2,-0.1 49,-0.0 0.127 84.5 117.2-107.3 20.9 -13.3 40.0 -14.6 175 178 A G T < S+ 0 0 6 -3,-1.9 47,-0.3 1,-0.3 48,-0.2 0.771 73.0 52.8 -59.9 -30.6 -13.1 39.5 -10.8 176 179 A A T 3 S+ 0 0 38 -4,-0.3 44,-1.1 -3,-0.2 -1,-0.3 0.380 79.3 138.4 -89.6 3.6 -12.5 43.2 -10.1 177 180 A S < - 0 0 34 -3,-1.8 45,-0.6 43,-0.2 46,-0.2 -0.089 35.3-169.9 -50.5 140.1 -15.6 44.3 -12.1 178 181 A Q > + 0 0 45 42,-0.1 3,-2.2 43,-0.1 -1,-0.1 0.331 33.3 142.3-114.1 6.6 -17.7 47.1 -10.5 179 182 A E T 3 S+ 0 0 138 1,-0.3 3,-0.1 3,-0.0 -2,-0.0 -0.263 74.9 10.2 -54.9 121.6 -20.6 47.0 -13.0 180 183 A G T 3 S+ 0 0 64 1,-0.3 2,-0.4 -2,-0.0 -1,-0.3 0.352 94.5 126.6 91.6 -5.9 -23.9 47.5 -11.1 181 184 A Y < + 0 0 23 -3,-2.2 -1,-0.3 37,-0.1 -3,-0.0 -0.727 28.5 168.6 -85.4 134.6 -22.4 48.6 -7.8 182 185 A H - 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0 0 63 17,-1.0 9,-3.3 9,-0.3 17,-0.2 -0.797 40.0-128.6 -94.3 124.6 -3.4 50.6 26.8 507 510 A P B -M 514 0M 92 0, 0.0 2,-0.2 0, 0.0 7,-0.2 -0.212 18.1-160.4 -73.7 160.9 -6.7 50.7 28.9 508 511 A T - 0 0 60 5,-0.8 4,-0.1 2,-0.5 5,-0.1 -0.660 42.9 -92.5-120.1-175.5 -7.9 53.4 31.3 509 512 A T S S+ 0 0 154 -2,-0.2 2,-0.5 2,-0.1 5,-0.1 0.536 108.2 83.4 -78.7 -4.2 -10.5 53.2 34.0 510 513 A T S > S- 0 0 82 3,-0.3 3,-1.7 1,-0.0 -2,-0.5 -0.898 93.0-112.6-100.8 124.3 -13.1 54.3 31.4 511 514 A K T 3 S- 0 0 159 -2,-0.5 3,-0.1 1,-0.3 -2,-0.1 -0.296 94.4 -0.0 -60.1 128.9 -14.4 51.5 29.3 512 515 A D T 3 S+ 0 0 34 1,-0.2 2,-0.5 -4,-0.1 -1,-0.3 0.486 104.9 111.2 70.8 5.4 -13.4 51.6 25.6 513 516 A V < - 0 0 37 -3,-1.7 -5,-0.8 -5,-0.1 -3,-0.3 -0.957 56.7-153.4-110.3 123.4 -11.4 54.8 26.2 514 517 A Y B -M 507 0M 21 -2,-0.5 -12,-0.0 -7,-0.2 -5,-0.0 -0.552 19.9 -86.0-106.1 163.5 -7.6 54.2 25.8 515 518 A A - 0 0 21 -9,-3.3 8,-1.7 -2,-0.2 2,-0.3 -0.251 37.0-173.2 -70.4 145.2 -4.6 55.9 27.2 516 519 A V B -N 522 0N 81 6,-0.2 6,-0.2 1,-0.1 -1,-0.0 -0.909 22.4-116.6-126.5 159.7 -2.8 58.9 25.7 517 520 A D > - 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0 0 73 -28,-0.4 2,-1.6 -2,-0.3 3,-0.4 -0.998 30.0-141.3-133.1 126.9 -2.4 38.9 21.8 532 535 A Y + 0 0 25 -2,-0.4 -2,-0.0 -106,-0.2 -28,-0.0 -0.614 61.7 120.0 -90.2 79.9 -5.2 39.1 19.2 533 536 A T + 0 0 77 -2,-1.6 2,-0.4 -33,-0.1 -1,-0.2 0.608 27.2 112.9-117.3 -22.3 -7.9 37.5 21.4 534 537 A T - 0 0 29 -3,-0.4 13,-0.6 -34,-0.1 -34,-0.2 -0.451 47.0-167.3 -73.2 121.9 -10.8 39.9 21.8 535 538 A R E -O 546 0O 131 -2,-0.4 2,-0.3 11,-0.2 -2,-0.1 -0.572 7.7-169.0-105.3 165.5 -14.0 38.8 20.1 536 539 A G E -O 545 0O 10 9,-2.5 9,-2.7 -2,-0.2 2,-0.1 -0.913 22.1 -95.8-146.3 174.3 -17.3 40.3 19.2 537 540 A T - 0 0 60 -2,-0.3 -297,-2.3 7,-0.2 2,-0.4 -0.376 19.3-146.7 -92.6 164.8 -20.8 39.5 17.9 538 541 A R - 0 0 15 3,-0.6 3,-0.2 5,-0.4 5,-0.1 -0.991 12.0-144.1-127.4 142.7 -22.5 39.5 14.5 539 542 A E S S+ 0 0 132 -2,-0.4 -1,-0.1 1,-0.2 3,-0.0 0.859 102.1 40.7 -67.2 -37.2 -26.1 40.3 13.8 540 543 A D S S+ 0 0 83 1,-0.1 2,-0.4 2,-0.0 -1,-0.2 0.501 116.3 45.6 -95.1 -7.8 -26.5 37.7 11.1 541 544 A R S S- 0 0 114 -3,-0.2 -3,-0.6 2,-0.1 -1,-0.1 -0.999 76.3-122.5-143.6 135.7 -24.5 34.8 12.6 542 545 A E + 0 0 187 -2,-0.4 2,-0.2 -5,-0.1 -3,-0.1 -0.407 68.2 33.2 -72.8 150.7 -24.3 33.2 16.0 543 546 A G S S- 0 0 47 -2,-0.1 2,-0.4 -5,-0.1 -5,-0.4 -0.519 90.7 -45.9 108.6-169.3 -21.1 33.0 18.0 544 547 A L - 0 0 128 -2,-0.2 -7,-0.2 -7,-0.1 -2,-0.0 -0.881 49.7-174.0-111.3 133.4 -17.9 34.9 18.6 545 548 A F E -O 536 0O 27 -9,-2.7 -9,-2.5 -2,-0.4 -307,-0.1 -0.917 27.2-102.0-128.3 152.0 -15.8 36.4 15.8 546 549 A P E -O 535 0O 10 0, 0.0 -307,-3.1 0, 0.0 2,-0.5 -0.222 32.3-127.5 -67.5 162.7 -12.5 38.2 15.6 547 550 A I - 0 0 27 -13,-0.6 -47,-0.6 -309,-0.2 3,-0.1 -0.966 62.4 -9.2-115.9 125.5 -12.3 42.0 15.2 548 551 A G S > S- 0 0 0 -2,-0.5 4,-1.0 -309,-0.3 -50,-0.3 0.002 90.5 -61.7 81.0 175.1 -10.3 43.6 12.5 549 552 A G H > S+ 0 0 0 -52,-2.4 4,-2.6 1,-0.2 5,-0.2 0.834 115.3 64.3 -70.7 -37.5 -7.8 42.5 9.8 550 553 A V H > S+ 0 0 0 -52,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.952 106.9 41.0 -57.4 -55.7 -4.9 41.0 11.8 551 554 A P H > S+ 0 0 18 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.835 112.3 57.8 -65.6 -27.6 -6.8 38.1 13.4 552 555 A L H X S+ 0 0 0 -4,-1.0 4,-1.9 2,-0.2 -2,-0.2 0.946 110.4 42.7 -60.4 -49.2 -8.6 37.5 10.1 553 556 A G H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 5,-0.2 0.902 112.2 54.2 -63.9 -42.8 -5.3 37.0 8.4 554 557 A I H X S+ 0 0 23 -4,-2.6 4,-2.7 -5,-0.2 -2,-0.2 0.938 109.6 47.2 -54.5 -48.9 -3.9 34.9 11.3 555 558 A E H X S+ 0 0 62 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.862 111.4 51.2 -66.7 -34.8 -6.9 32.5 11.1 556 559 A I H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.943 111.4 47.0 -64.9 -46.9 -6.6 32.2 7.4 557 560 A A H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 5,-0.2 0.929 112.6 50.2 -61.1 -46.4 -2.9 31.4 7.5 558 561 A D H X S+ 0 0 36 -4,-2.7 4,-2.7 1,-0.2 -1,-0.2 0.917 111.5 47.8 -60.8 -44.4 -3.5 28.8 10.3 559 562 A E H X S+ 0 0 34 -4,-2.4 4,-1.3 2,-0.2 -1,-0.2 0.922 113.3 47.5 -62.0 -45.3 -6.2 27.0 8.4 560 563 A I H <>S+ 0 0 0 -4,-2.4 5,-1.9 1,-0.2 3,-0.3 0.952 116.1 43.6 -60.9 -48.0 -4.2 26.9 5.2 561 564 A F H ><5S+ 0 0 60 -4,-2.6 3,-2.0 1,-0.2 -2,-0.2 0.896 109.3 56.1 -66.5 -42.2 -1.1 25.6 7.0 562 565 A N H 3<5S+ 0 0 104 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.793 107.2 51.2 -60.9 -29.9 -3.0 23.1 9.2 563 566 A N T 3<5S- 0 0 68 -4,-1.3 -1,-0.3 -3,-0.3 -2,-0.2 0.323 115.3-116.6 -91.1 6.4 -4.4 21.5 6.0 564 567 A G T < 5 - 0 0 34 -3,-2.0 -492,-0.4 1,-0.1 -3,-0.2 0.648 64.6 -62.7 73.1 19.7 -1.0 21.1 4.4 565 568 A L S - 0 0 25 0, 0.0 3,-2.0 0, 0.0 4,-0.4 -0.377 26.7-128.9 -55.8 132.8 -13.0 21.8 -1.9 570 573 A P G > S+ 0 0 55 0, 0.0 3,-1.5 0, 0.0 -2,-0.1 0.856 105.3 63.1 -50.6 -37.3 -15.0 22.6 -5.1 571 574 A E G 3 S+ 0 0 141 1,-0.3 4,-0.1 4,-0.0 -3,-0.0 0.634 102.9 47.5 -68.7 -16.2 -18.3 22.0 -3.3 572 575 A I G < S+ 0 0 67 -3,-2.0 -1,-0.3 2,-0.1 3,-0.1 0.341 85.8 110.3-106.7 7.3 -17.6 25.0 -0.9 573 576 A Q S < S- 0 0 16 -3,-1.5 -345,-0.1 -4,-0.4 -346,-0.1 -0.436 86.3 -85.1 -69.6 151.8 -16.6 27.5 -3.6 574 577 A P + 0 0 41 0, 0.0 -1,-0.1 0, 0.0 -348,-0.1 -0.361 58.4 156.6 -58.1 137.9 -19.1 30.3 -4.3 575 578 A M 0 0 144 -3,-0.1 -3,-0.0 -4,-0.1 -4,-0.0 0.636 360.0 360.0-127.2 -55.3 -21.8 29.3 -6.7 576 579 A P 0 0 155 0, 0.0 -350,-0.1 0, 0.0 0, 0.0 0.158 360.0 360.0 23.8 360.0 -25.0 31.4 -6.4