==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-MAR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 04-SEP-09 3IXL . COMPND 2 MOLECULE: ARYLMALONATE DECARBOXYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BORDETELLA BRONCHISEPTICA; . AUTHOR M.NAKASAKO,R.OBATA . 235 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9350.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 166 70.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 34 14.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 12 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 23 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 86 36.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.7 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 1 3 0 1 0 1 1 1 1 2 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 0 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 PARALLEL BRIDGES PER LADDER . 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 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 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 6 A T 0 0 146 0, 0.0 2,-0.2 0, 0.0 25,-0.0 0.000 360.0 360.0 360.0 120.6 -3.7 35.6 3.3 2 7 A P - 0 0 73 0, 0.0 2,-0.3 0, 0.0 60,-0.1 -0.432 360.0-137.6 -64.1 130.0 -0.6 34.4 5.2 3 8 A T E -a 62 0A 34 58,-0.5 60,-3.3 -2,-0.2 61,-0.8 -0.701 11.5-143.2 -83.9 137.9 0.6 30.9 4.1 4 9 A I E -ab 64 28A 4 23,-2.1 25,-2.4 -2,-0.3 2,-0.4 -0.939 14.1-149.7-105.9 123.6 1.7 28.6 6.9 5 10 A G E -ab 65 29A 0 59,-2.9 61,-2.3 -2,-0.5 2,-0.4 -0.759 11.1-167.1 -97.5 140.7 4.7 26.4 6.1 6 11 A M E -ab 66 30A 0 23,-2.2 25,-2.0 -2,-0.4 2,-0.6 -0.989 16.3-151.6-132.3 127.7 5.2 22.9 7.6 7 12 A I E -ab 67 31A 0 59,-2.8 61,-2.5 -2,-0.4 25,-0.2 -0.885 30.5-172.2 -93.8 119.8 8.3 20.7 7.6 8 13 A V E - b 0 32A 4 23,-2.4 25,-2.8 -2,-0.6 26,-0.3 -0.845 30.4-123.6-120.4 148.4 6.9 17.1 7.8 9 14 A P S S+ 0 0 21 0, 0.0 26,-2.8 0, 0.0 25,-1.5 0.896 81.7 85.1 -56.8 -45.6 8.6 13.7 8.3 10 15 A P S > S- 0 0 38 0, 0.0 3,-1.4 0, 0.0 -2,-0.2 -0.282 78.8-128.2 -68.4 148.2 7.4 11.8 5.1 11 16 A A T 3 S+ 0 0 82 1,-0.3 21,-0.4 24,-0.2 -3,-0.1 0.840 105.2 68.1 -56.7 -36.1 9.4 12.2 1.9 12 17 A A T 3 S- 0 0 75 19,-0.1 -1,-0.3 1,-0.1 20,-0.1 0.713 95.1-142.1 -60.6 -25.8 6.2 13.1 -0.0 13 18 A G < + 0 0 14 -3,-1.4 17,-0.3 1,-0.2 2,-0.2 0.893 34.4 171.6 66.1 42.4 6.0 16.4 1.9 14 19 A L - 0 0 116 17,-0.1 -1,-0.2 1,-0.1 17,-0.2 -0.531 41.9-106.9 -84.1 148.6 2.2 16.4 2.3 15 20 A V - 0 0 58 -2,-0.2 5,-0.1 15,-0.1 -1,-0.1 -0.615 51.3-100.8 -66.0 127.8 0.2 18.8 4.4 16 21 A P > - 0 0 27 0, 0.0 3,-1.7 0, 0.0 4,-0.4 -0.290 30.8-119.0 -55.9 141.7 -0.9 16.7 7.4 17 22 A A T >> S+ 0 0 67 1,-0.3 3,-0.6 2,-0.2 4,-0.5 0.703 104.3 72.2 -60.4 -23.7 -4.5 15.7 6.9 18 23 A D H >> S+ 0 0 2 1,-0.2 4,-2.9 2,-0.2 3,-0.8 0.778 83.5 70.3 -64.2 -25.7 -5.8 17.5 10.0 19 24 A G H <> S+ 0 0 0 -3,-1.7 4,-2.4 1,-0.3 7,-0.2 0.876 93.5 53.7 -61.7 -40.8 -5.3 21.0 8.4 20 25 A A H <4 S+ 0 0 76 -3,-0.6 -1,-0.3 -4,-0.4 -2,-0.2 0.720 116.6 39.8 -66.3 -23.4 -8.2 20.6 5.9 21 26 A R H << S+ 0 0 91 -3,-0.8 204,-0.3 -4,-0.5 -2,-0.2 0.868 121.3 38.9 -92.6 -45.5 -10.6 19.7 8.8 22 27 A L H < S+ 0 0 0 -4,-2.9 203,-2.2 1,-0.2 -3,-0.2 0.921 136.0 14.6 -70.3 -46.9 -9.4 22.1 11.5 23 28 A Y >< + 0 0 11 -4,-2.4 3,-2.0 -5,-0.3 -1,-0.2 -0.591 68.7 167.1-132.9 67.6 -8.7 25.2 9.3 24 29 A P T 3 S+ 0 0 51 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.732 78.4 50.1 -62.0 -23.0 -10.4 24.5 5.9 25 30 A D T 3 S+ 0 0 135 2,-0.1 -5,-0.1 0, 0.0 -2,-0.0 0.273 93.3 89.6-101.9 12.5 -10.0 28.2 4.9 26 31 A L S < S- 0 0 48 -3,-2.0 2,-0.4 -7,-0.2 -3,-0.1 -0.882 74.1-126.6-107.2 139.3 -6.3 28.5 5.7 27 32 A P - 0 0 48 0, 0.0 -23,-2.1 0, 0.0 2,-0.4 -0.724 27.3-176.4 -84.9 129.7 -3.5 27.8 3.2 28 33 A F E -b 4 0A 28 -2,-0.4 2,-0.3 -25,-0.2 -23,-0.2 -0.968 5.8-170.1-122.2 140.9 -0.8 25.4 4.3 29 34 A I E -b 5 0A 42 -25,-2.4 -23,-2.2 -2,-0.4 2,-0.3 -0.935 10.4-163.3-126.2 153.6 2.3 24.4 2.4 30 35 A A E -b 6 0A 12 -2,-0.3 2,-0.4 -17,-0.3 -23,-0.2 -0.926 16.8-160.7-141.0 158.7 4.7 21.6 3.3 31 36 A S E -b 7 0A 3 -25,-2.0 -23,-2.4 -2,-0.3 2,-0.4 -0.991 25.3-131.2-142.0 131.4 8.2 20.2 2.6 32 37 A G E -b 8 0A 16 -21,-0.4 -21,-0.2 -2,-0.4 -25,-0.1 -0.715 13.2-164.3-100.4 136.4 9.2 16.6 3.4 33 38 A L - 0 0 18 -25,-2.8 -22,-0.2 -2,-0.4 -1,-0.1 0.781 35.0-128.3 -80.4 -32.4 12.2 15.3 5.3 34 39 A G - 0 0 34 -25,-1.5 2,-0.1 -26,-0.3 -23,-0.1 0.830 32.3-168.8 78.6 36.6 12.1 11.7 4.2 35 40 A L - 0 0 14 -26,-2.8 -24,-0.2 -27,-0.2 -1,-0.2 -0.366 10.6-159.3 -59.3 133.9 12.3 10.3 7.8 36 41 A G - 0 0 71 1,-0.3 2,-0.3 6,-0.3 115,-0.2 0.763 66.8 -4.0 -89.9 -30.9 13.0 6.6 7.7 37 42 A S - 0 0 30 2,-0.2 2,-1.9 113,-0.1 -1,-0.3 -0.967 68.9-109.5-159.1 153.6 11.8 5.5 11.2 38 43 A V S S+ 0 0 9 111,-2.9 84,-0.4 -2,-0.3 87,-0.1 -0.562 84.9 101.6 -87.7 71.4 10.4 7.2 14.3 39 44 A T S > S- 0 0 10 -2,-1.9 4,-2.8 1,-0.1 3,-0.3 -0.964 88.3-103.7-146.6 156.0 13.6 6.5 16.3 40 45 A P H > S+ 0 0 8 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.875 123.4 54.9 -49.6 -41.9 16.7 8.5 17.3 41 46 A E H > S+ 0 0 135 1,-0.2 4,-0.9 2,-0.2 -5,-0.1 0.907 110.5 46.5 -59.3 -40.9 18.7 6.7 14.5 42 47 A G H >> S+ 0 0 8 -3,-0.3 3,-0.6 1,-0.2 4,-0.6 0.929 111.5 50.6 -65.1 -45.7 16.0 7.9 12.1 43 48 A Y H >X S+ 0 0 0 -4,-2.8 4,-2.6 1,-0.2 3,-1.6 0.912 104.0 58.3 -59.1 -43.2 16.0 11.4 13.4 44 49 A D H 3< S+ 0 0 79 -4,-2.8 4,-0.4 1,-0.3 -1,-0.2 0.810 101.0 58.0 -58.7 -29.9 19.8 11.7 13.2 45 50 A A H << S+ 0 0 81 -4,-0.9 -1,-0.3 -3,-0.6 -2,-0.2 0.649 122.5 20.2 -76.6 -16.7 19.6 11.0 9.4 46 51 A V H X< S+ 0 0 13 -3,-1.6 3,-2.0 -4,-0.6 4,-0.4 0.549 95.3 92.0-124.8 -15.4 17.3 14.0 8.7 47 52 A I G >< S+ 0 0 8 -4,-2.6 3,-1.2 1,-0.3 4,-0.3 0.823 83.3 59.6 -58.1 -32.8 17.6 16.5 11.5 48 53 A E G 3 S+ 0 0 167 -4,-0.4 4,-0.3 1,-0.2 -1,-0.3 0.677 99.1 58.7 -70.6 -17.3 20.4 18.4 9.8 49 54 A S G <> S+ 0 0 33 -3,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.523 77.6 92.3 -88.4 -8.4 18.1 19.2 6.8 50 55 A V H <> S+ 0 0 0 -3,-1.2 4,-2.4 -4,-0.4 -1,-0.2 0.912 84.1 51.5 -54.2 -47.1 15.5 21.0 8.9 51 56 A V H > S+ 0 0 39 -4,-0.3 4,-2.2 -3,-0.3 -1,-0.2 0.895 108.8 51.0 -60.0 -39.9 17.1 24.4 8.3 52 57 A D H > S+ 0 0 105 -4,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.879 109.7 50.0 -66.1 -37.1 17.2 23.9 4.5 53 58 A H H X S+ 0 0 38 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.888 108.1 53.7 -68.1 -38.0 13.5 23.0 4.5 54 59 A A H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.923 108.7 49.5 -57.6 -45.8 12.7 26.1 6.5 55 60 A R H X S+ 0 0 116 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.883 108.1 53.5 -62.2 -40.7 14.5 28.2 3.9 56 61 A R H X S+ 0 0 113 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.948 109.6 47.8 -59.0 -48.3 12.6 26.5 1.1 57 62 A L H <>S+ 0 0 0 -4,-2.3 5,-2.3 1,-0.2 -2,-0.2 0.877 109.6 53.4 -61.6 -38.2 9.3 27.4 2.8 58 63 A Q H ><5S+ 0 0 78 -4,-2.2 3,-1.9 1,-0.2 -1,-0.2 0.933 107.3 50.9 -58.6 -46.9 10.5 30.9 3.3 59 64 A K H 3<5S+ 0 0 152 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.843 104.1 59.3 -61.6 -33.6 11.3 31.3 -0.4 60 65 A Q T 3<5S- 0 0 86 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.469 126.3-101.2 -73.2 -2.6 7.8 29.9 -1.2 61 66 A G T < 5 + 0 0 51 -3,-1.9 -58,-0.5 1,-0.2 -3,-0.2 0.582 60.0 168.9 95.5 11.4 6.3 32.9 0.8 62 67 A A E < -a 3 0A 5 -5,-2.3 -1,-0.2 1,-0.1 -58,-0.2 -0.281 27.5-156.2 -55.2 140.4 5.5 31.2 4.0 63 68 A A E S+ 0 0 35 -60,-3.3 2,-0.3 1,-0.3 -59,-0.2 0.691 80.1 11.1 -88.9 -25.5 4.6 33.6 6.8 64 69 A V E -a 4 0A 3 -61,-0.8 -59,-2.9 30,-0.1 2,-0.4 -0.972 68.5-146.2-147.0 154.2 5.5 31.1 9.6 65 70 A V E -ac 5 96A 0 30,-2.1 32,-2.1 -2,-0.3 2,-0.4 -0.997 12.3-172.6-127.0 131.2 7.4 27.8 9.6 66 71 A S E -ac 6 97A 0 -61,-2.3 -59,-2.8 -2,-0.4 2,-1.0 -0.989 24.7-137.3-120.7 132.0 6.6 24.9 11.9 67 72 A L E -ac 7 98A 0 30,-2.3 32,-2.5 -2,-0.4 2,-1.6 -0.781 24.8-155.2 -79.9 104.1 8.7 21.7 12.3 68 73 A M + 0 0 6 -61,-2.5 2,-0.3 -2,-1.0 -1,-0.1 -0.376 59.4 92.1 -89.0 58.3 5.7 19.3 12.4 69 74 A C > - 0 0 10 -2,-1.6 4,-0.8 1,-0.1 31,-0.5 -0.928 53.0-163.4-148.7 124.0 7.3 16.4 14.3 70 75 A T H >> S+ 0 0 1 -2,-0.3 4,-1.6 29,-0.2 3,-0.7 0.972 91.1 42.1 -70.8 -54.8 7.2 16.1 18.1 71 76 A S H 3> S+ 0 0 3 1,-0.3 4,-2.1 2,-0.2 -1,-0.1 0.849 108.4 57.8 -69.1 -34.2 9.9 13.5 18.6 72 77 A L H 34 S+ 0 0 0 1,-0.2 -1,-0.3 2,-0.2 -2,-0.2 0.835 114.9 41.4 -60.5 -30.7 12.3 15.1 16.0 73 78 A S H << S+ 0 0 0 -4,-0.8 -2,-0.2 -3,-0.7 -1,-0.2 0.693 122.7 35.8 -93.1 -18.8 12.1 18.2 18.2 74 79 A F H >< S+ 0 0 1 -4,-1.6 3,-2.0 1,-0.1 -2,-0.2 0.583 87.5 92.1-105.3 -11.8 12.2 16.7 21.7 75 80 A Y T 3< S+ 0 0 8 -4,-2.1 -1,-0.1 1,-0.3 -3,-0.1 0.668 92.9 41.9 -65.5 -18.2 14.6 13.8 21.4 76 81 A R T 3 S- 0 0 123 1,-0.4 -1,-0.3 -4,-0.1 4,-0.2 0.328 120.2-101.1-106.5 3.6 17.7 15.8 22.4 77 82 A G <> - 0 0 12 -3,-2.0 4,-1.6 1,-0.2 -1,-0.4 -0.332 45.8 -58.0 101.7 175.6 16.0 17.7 25.2 78 83 A A H > S+ 0 0 13 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.847 125.6 57.6 -65.7 -40.7 14.5 21.1 25.8 79 84 A A H > S+ 0 0 79 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.899 107.3 49.1 -59.7 -40.9 17.6 23.2 24.9 80 85 A F H > S+ 0 0 48 -4,-0.2 4,-3.0 2,-0.2 5,-0.3 0.898 106.5 55.3 -68.7 -39.2 17.9 21.6 21.5 81 86 A N H X S+ 0 0 4 -4,-1.6 4,-1.9 1,-0.2 -1,-0.2 0.950 113.6 42.6 -53.3 -46.8 14.2 22.3 20.8 82 87 A A H X S+ 0 0 55 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.915 115.0 48.7 -66.9 -43.7 14.9 25.9 21.5 83 88 A A H X S+ 0 0 57 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.873 110.1 51.2 -67.0 -39.0 18.2 26.1 19.6 84 89 A L H X S+ 0 0 13 -4,-3.0 4,-2.4 2,-0.2 -1,-0.2 0.910 109.1 51.6 -63.4 -42.2 16.7 24.4 16.5 85 90 A T H X S+ 0 0 24 -4,-1.9 4,-2.4 -5,-0.3 -2,-0.2 0.922 110.5 48.3 -58.6 -45.8 13.9 27.0 16.6 86 91 A V H X S+ 0 0 74 -4,-2.1 4,-2.8 2,-0.2 -2,-0.2 0.893 110.0 52.0 -63.0 -41.8 16.4 29.8 16.7 87 92 A A H X S+ 0 0 42 -4,-2.4 4,-1.6 2,-0.2 -1,-0.2 0.900 110.1 49.1 -61.5 -42.9 18.4 28.3 13.9 88 93 A M H X S+ 0 0 0 -4,-2.4 4,-1.1 2,-0.2 6,-0.3 0.920 112.4 48.5 -60.3 -44.6 15.3 28.1 11.7 89 94 A R H >X S+ 0 0 156 -4,-2.4 4,-3.2 1,-0.2 3,-0.5 0.920 110.8 49.2 -64.5 -43.4 14.4 31.7 12.6 90 95 A E H 3< S+ 0 0 161 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.810 111.9 50.9 -67.1 -27.3 17.9 33.0 11.8 91 96 A A H 3< S+ 0 0 12 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.722 126.5 21.5 -77.0 -24.3 17.8 31.1 8.4 92 97 A T H << S- 0 0 14 -4,-1.1 -2,-0.2 -3,-0.5 -3,-0.2 0.643 85.7-131.1-119.5 -26.5 14.4 32.5 7.4 93 98 A G S < S+ 0 0 69 -4,-3.2 -3,-0.1 1,-0.3 -4,-0.1 0.632 73.0 117.3 71.4 15.7 13.7 35.8 9.2 94 99 A L S S- 0 0 27 -5,-0.3 -1,-0.3 -6,-0.3 2,-0.2 -0.760 80.0 -90.7-113.7 157.5 10.3 34.2 10.0 95 100 A P - 0 0 49 0, 0.0 -30,-2.1 0, 0.0 2,-0.3 -0.507 54.2-171.3 -60.1 126.3 8.4 33.2 13.1 96 101 A C E +c 65 0A 13 -2,-0.2 2,-0.3 -32,-0.2 -30,-0.2 -0.936 13.5 163.8-126.5 151.0 9.3 29.6 13.6 97 102 A T E -c 66 0A 3 -32,-2.1 -30,-2.3 -2,-0.3 2,-0.3 -0.888 21.9-134.4-151.2 177.7 8.1 26.9 15.9 98 103 A T E > -c 67 0A 0 -2,-0.3 4,-2.5 -32,-0.3 -30,-0.2 -0.947 30.2-111.3-137.7 160.7 8.1 23.1 16.5 99 104 A M H > S+ 0 0 2 -32,-2.5 4,-2.0 -30,-0.4 -29,-0.2 0.798 118.7 56.5 -63.9 -28.5 5.5 20.5 17.3 100 105 A S H > S+ 0 0 0 -31,-0.5 4,-2.1 -33,-0.3 -1,-0.2 0.922 108.2 46.0 -67.8 -43.6 7.1 20.1 20.7 101 106 A T H > S+ 0 0 32 1,-0.2 4,-2.9 2,-0.2 -2,-0.2 0.904 110.1 57.4 -61.0 -39.0 6.7 23.8 21.5 102 107 A A H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.913 107.7 44.3 -57.7 -45.8 3.1 23.4 20.2 103 108 A V H X S+ 0 0 1 -4,-2.0 4,-2.8 2,-0.2 5,-0.2 0.890 112.5 51.8 -73.7 -33.1 2.3 20.7 22.7 104 109 A L H X S+ 0 0 5 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.944 112.5 46.8 -61.5 -46.0 3.9 22.6 25.6 105 110 A N H X S+ 0 0 43 -4,-2.9 4,-2.5 1,-0.2 -2,-0.2 0.906 113.4 48.6 -62.2 -40.9 1.9 25.7 24.6 106 111 A G H X S+ 0 0 0 -4,-2.4 4,-1.4 -5,-0.2 -2,-0.2 0.916 110.5 50.0 -66.5 -44.6 -1.3 23.6 24.4 107 112 A L H <>S+ 0 0 0 -4,-2.8 5,-2.8 2,-0.2 3,-0.3 0.929 113.6 46.1 -59.7 -45.0 -0.8 21.9 27.8 108 113 A R H ><5S+ 0 0 116 -4,-2.4 3,-1.7 1,-0.2 -2,-0.2 0.916 108.1 56.3 -64.2 -42.0 -0.1 25.3 29.4 109 114 A A H 3<5S+ 0 0 62 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.801 111.3 44.7 -56.9 -31.9 -3.2 26.8 27.7 110 115 A L T 3<5S- 0 0 19 -4,-1.4 -1,-0.3 -3,-0.3 -2,-0.2 0.306 116.4-113.3 -98.8 7.3 -5.3 24.1 29.2 111 116 A G T < 5 + 0 0 57 -3,-1.7 2,-0.7 1,-0.2 -3,-0.2 0.797 59.9 157.8 67.7 32.2 -3.7 24.3 32.7 112 117 A V < + 0 0 5 -5,-2.8 -1,-0.2 1,-0.2 3,-0.1 -0.806 11.6 147.9 -95.5 115.5 -2.2 20.9 32.5 113 118 A R S S+ 0 0 149 -2,-0.7 26,-3.2 1,-0.3 2,-0.7 0.733 70.5 51.3-106.3 -48.2 0.8 20.4 34.9 114 119 A R E S-d 139 0B 82 24,-0.2 63,-2.4 61,-0.1 64,-1.1 -0.858 80.8-172.4 -95.0 117.2 0.4 16.7 35.6 115 120 A V E -de 140 178B 0 24,-2.5 26,-2.3 -2,-0.7 2,-0.3 -0.947 21.6-147.3-127.3 121.1 0.1 14.9 32.3 116 121 A A E - 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0 0 10 -5,-2.5 -1,-0.3 -6,-0.1 -24,-0.2 -0.723 56.3-131.7-105.2 163.8 5.6 19.5 33.7 139 144 A V E -d 114 0B 61 -26,-3.2 -24,-2.5 -2,-0.3 2,-0.2 -0.898 12.9-151.4-121.9 100.0 5.0 16.2 35.5 140 145 A P E +d 115 0B 37 0, 0.0 -24,-0.2 0, 0.0 3,-0.1 -0.509 24.3 169.0 -67.8 138.0 4.6 13.1 33.4 141 146 A T E + 0 0 38 -26,-2.3 -25,-0.2 1,-0.5 29,-0.1 0.435 49.1 15.3-116.8-108.9 2.4 10.6 35.2 142 147 A G E - 0 0 8 31,-0.2 -25,-3.3 27,-0.2 -1,-0.5 -0.331 65.5-162.1 -68.9 154.9 0.9 7.4 33.6 143 148 A X E +d 117 0B 81 -27,-0.2 2,-0.3 25,-0.1 -25,-0.2 -0.974 17.5 167.7-143.8 125.9 2.2 6.2 30.2 144 149 A R E -d 118 0B 99 -27,-2.3 -25,-2.3 -2,-0.4 2,-0.3 -0.991 16.4-179.9-129.6 144.2 0.8 3.8 27.7 145 150 A S E -d 119 0B 31 -2,-0.3 -25,-0.2 -27,-0.2 -23,-0.1 -0.939 35.6-137.1-144.3 163.3 2.2 3.5 24.2 146 151 A L - 0 0 50 -27,-1.5 -25,-0.2 -2,-0.3 -26,-0.2 0.580 36.3-134.9 -97.4 -14.2 1.8 1.6 20.9 147 152 A G + 0 0 42 -26,-1.5 2,-0.4 1,-0.2 -26,-0.3 0.848 48.4 153.5 63.9 37.1 5.5 0.9 20.2 148 153 A I + 0 0 29 -28,-3.1 -26,-0.3 1,-0.1 -1,-0.2 -0.805 25.8 170.5-101.3 135.9 5.4 1.9 16.5 149 154 A T + 0 0 50 -2,-0.4 -111,-2.9 -28,-0.1 2,-0.4 0.505 52.5 96.3-115.4 -9.2 8.3 3.2 14.5 150 155 A G > - 0 0 29 -113,-0.2 4,-1.3 1,-0.1 -113,-0.1 -0.671 63.1-147.9 -85.5 134.6 6.9 3.2 11.0 151 156 A V H > S+ 0 0 29 -2,-0.4 4,-1.1 -115,-0.2 3,-0.4 0.953 100.9 43.5 -62.0 -51.9 5.5 6.5 9.7 152 157 A E H > S+ 0 0 124 1,-0.2 4,-0.7 2,-0.2 3,-0.2 0.859 107.6 60.8 -61.3 -37.4 2.7 4.8 7.6 153 158 A A H >4 S+ 0 0 26 1,-0.2 3,-0.8 2,-0.2 4,-0.4 0.854 99.7 56.2 -60.0 -35.7 1.9 2.4 10.4 154 159 A M H >< S+ 0 0 2 -4,-1.3 3,-1.3 -3,-0.4 33,-0.5 0.891 101.5 55.7 -66.5 -37.1 0.9 5.3 12.7 155 160 A A H 3< S+ 0 0 43 -4,-1.1 -1,-0.2 -3,-0.2 -2,-0.2 0.678 100.9 61.7 -66.8 -17.2 -1.6 6.6 10.1 156 161 A R T << S+ 0 0 181 -3,-0.8 2,-0.3 -4,-0.7 -1,-0.2 0.577 74.4 109.8 -86.5 -11.4 -3.3 3.2 10.2 157 162 A V < - 0 0 21 -3,-1.3 30,-0.4 -4,-0.4 2,-0.1 -0.520 67.4-130.9 -70.8 127.9 -4.2 3.3 13.9 158 163 A D > - 0 0 81 -2,-0.3 4,-1.8 1,-0.1 3,-0.3 -0.323 15.3-109.2 -81.8 162.7 -8.0 3.7 14.3 159 164 A T H > S+ 0 0 52 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.874 114.8 52.5 -56.1 -46.7 -10.0 6.2 16.4 160 165 A A H > S+ 0 0 68 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.866 107.1 52.8 -65.1 -34.9 -11.2 3.6 19.0 161 166 A T H > S+ 0 0 56 -3,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.899 111.2 47.8 -62.6 -40.8 -7.7 2.3 19.6 162 167 A L H X S+ 0 0 0 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.894 109.9 51.2 -70.2 -38.7 -6.6 5.9 20.3 163 168 A V H X S+ 0 0 10 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.942 112.5 47.2 -59.9 -47.2 -9.5 6.6 22.6 164 169 A D H X S+ 0 0 75 -4,-2.3 4,-2.9 1,-0.2 5,-0.2 0.883 108.5 54.9 -62.8 -39.9 -8.7 3.4 24.6 165 170 A L H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.919 110.7 45.7 -58.9 -45.5 -5.0 4.3 24.7 166 171 A C H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.915 113.1 49.2 -63.4 -44.7 -5.8 7.7 26.3 167 172 A V H X S+ 0 0 5 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.929 112.5 47.7 -63.2 -45.0 -8.3 6.2 28.8 168 173 A R H X S+ 0 0 94 -4,-2.9 4,-1.1 2,-0.2 -2,-0.2 0.907 112.0 50.1 -63.7 -40.1 -5.8 3.4 29.8 169 174 A A H < S+ 0 0 0 -4,-2.3 4,-0.3 -5,-0.2 3,-0.3 0.915 113.9 45.4 -63.1 -42.5 -3.0 6.0 30.3 170 175 A F H >< S+ 0 0 20 -4,-2.4 3,-1.7 1,-0.2 6,-0.3 0.882 107.5 56.7 -67.8 -39.5 -5.3 8.2 32.4 171 176 A E H 3< S+ 0 0 127 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.728 98.6 62.7 -68.1 -20.5 -6.6 5.3 34.5 172 177 A A T 3< S+ 0 0 47 -4,-1.1 -1,-0.3 -3,-0.3 -2,-0.2 0.634 125.8 14.1 -73.0 -16.0 -2.9 4.6 35.4 173 178 A A S X S+ 0 0 11 -3,-1.7 3,-1.5 -4,-0.3 -1,-0.3 -0.470 74.6 175.0-156.4 73.2 -2.8 8.0 37.0 174 179 A P T 3 S+ 0 0 87 0, 0.0 -3,-0.1 0, 0.0 -4,-0.1 0.437 73.7 65.3 -75.4 0.9 -6.4 9.3 37.4 175 180 A D T 3 S+ 0 0 112 -5,-0.1 -61,-0.1 3,-0.0 2,-0.1 0.122 77.3 123.6-101.7 18.7 -5.5 12.4 39.4 176 181 A S < - 0 0 7 -3,-1.5 -61,-0.2 -6,-0.3 3,-0.1 -0.376 65.3-132.9 -72.4 156.9 -3.7 13.8 36.3 177 182 A D S S- 0 0 64 -63,-2.4 2,-0.3 1,-0.2 -62,-0.2 0.720 74.2 -33.0 -82.8 -24.9 -4.7 17.2 34.9 178 183 A G E -e 115 0B 0 -64,-1.1 -62,-2.6 23,-0.2 2,-0.4 -0.965 62.2 -93.4-177.9-175.4 -4.8 16.1 31.3 179 184 A I E -ef 116 203B 0 23,-2.1 25,-2.9 -2,-0.3 2,-0.6 -0.972 14.0-150.8-129.5 134.6 -3.5 13.8 28.6 180 185 A L E -ef 117 204B 0 -64,-3.0 -62,-3.0 -2,-0.4 2,-0.8 -0.947 9.5-163.8-101.6 117.6 -0.8 14.2 25.9 181 186 A L E -ef 118 205B 1 23,-2.8 25,-2.3 -2,-0.6 2,-0.5 -0.894 23.5-156.1 -99.1 103.0 -1.5 12.1 22.9 182 187 A S E +e 119 0B 0 -64,-2.1 -62,-1.6 -2,-0.8 -61,-0.2 -0.773 44.9 64.3-105.7 129.1 1.9 12.2 21.2 183 188 A S > - 0 0 7 -2,-0.5 3,-1.4 -64,-0.2 24,-0.5 0.170 53.5-142.4 133.7 119.3 2.8 11.6 17.6 184 189 A G T 3 S+ 0 0 28 1,-0.3 4,-0.0 22,-0.2 -2,-0.0 0.393 97.9 72.6 -74.1 1.6 1.9 13.8 14.6 185 190 A G T 3 S+ 0 0 26 -169,-0.1 -1,-0.3 2,-0.1 2,-0.2 0.568 80.1 91.8 -91.3 -10.5 1.6 10.6 12.6 186 191 A L S < S- 0 0 2 -3,-1.4 2,-0.9 -5,-0.1 21,-0.2 -0.584 74.8-134.4 -86.6 145.6 -1.7 9.6 14.3 187 192 A L + 0 0 72 -33,-0.5 3,-0.2 -30,-0.4 -25,-0.1 -0.845 44.2 153.5 -99.9 97.5 -5.1 10.6 13.1 188 193 A T > + 0 0 0 -2,-0.9 4,-2.1 1,-0.1 3,-0.5 0.382 29.4 105.4-111.5 -2.4 -6.6 11.8 16.3 189 194 A L T 4 S+ 0 0 1 1,-0.3 -1,-0.1 2,-0.2 -2,-0.0 0.817 88.7 41.1 -60.8 -34.7 -9.3 14.3 15.5 190 195 A D T > S+ 0 0 92 -3,-0.2 4,-0.7 1,-0.2 -1,-0.3 0.743 113.3 56.2 -82.6 -21.8 -12.3 12.0 16.2 191 196 A A H > S+ 0 0 0 -3,-0.5 4,-2.5 2,-0.1 5,-0.2 0.891 95.4 65.3 -73.3 -41.4 -10.6 10.6 19.3 192 197 A I H X S+ 0 0 3 -4,-2.1 4,-2.5 1,-0.2 5,-0.2 0.911 102.0 43.0 -54.5 -57.0 -10.0 13.9 21.1 193 198 A P H > S+ 0 0 46 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.840 114.2 53.5 -62.7 -29.4 -13.6 15.0 21.8 194 199 A E H X S+ 0 0 67 -4,-0.7 4,-2.4 -3,-0.2 -2,-0.2 0.927 110.5 45.5 -69.8 -43.7 -14.6 11.4 22.8 195 200 A V H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 5,-0.4 0.936 114.2 48.8 -62.5 -45.8 -11.8 11.2 25.4 196 201 A E H X S+ 0 0 23 -4,-2.5 4,-2.1 -5,-0.2 -2,-0.2 0.891 112.1 49.9 -61.6 -40.2 -12.6 14.7 26.8 197 202 A R H < S+ 0 0 170 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.926 115.9 41.5 -60.6 -49.3 -16.3 13.7 27.0 198 203 A R H < S+ 0 0 126 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.856 127.0 28.7 -71.8 -36.5 -15.6 10.5 28.8 199 204 A L H < S- 0 0 39 -4,-2.6 -3,-0.2 2,-0.2 -2,-0.2 0.694 88.9-134.2-102.5 -23.7 -12.9 11.6 31.2 200 205 A G S < S+ 0 0 56 -4,-2.1 -4,-0.1 -5,-0.4 -3,-0.1 0.712 71.7 105.4 73.0 19.8 -13.6 15.3 31.8 201 206 A V S S- 0 0 18 -6,-0.3 -1,-0.3 -5,-0.2 -2,-0.2 -0.926 74.7-102.6-124.4 153.8 -10.0 16.3 31.3 202 207 A P - 0 0 7 0, 0.0 -23,-2.1 0, 0.0 2,-0.4 -0.436 25.8-148.2 -76.2 152.6 -8.4 18.0 28.3 203 208 A V E -f 179 0B 3 -25,-0.2 2,-0.5 -2,-0.1 28,-0.4 -0.980 4.1-161.8-117.5 131.3 -6.3 16.2 25.6 204 209 A V E -f 180 0B 0 -25,-2.9 -23,-2.8 -2,-0.4 2,-0.4 -0.972 14.4-166.4-109.4 122.6 -3.5 17.8 23.7 205 210 A S E > -f 181 0B 2 -2,-0.5 4,-2.9 -25,-0.2 5,-0.3 -0.916 22.8-126.2-114.8 137.8 -2.7 15.9 20.6 206 211 A S H > S+ 0 0 0 -25,-2.3 4,-2.4 -2,-0.4 -22,-0.2 0.872 102.3 39.5 -48.2 -60.0 0.5 16.4 18.5 207 212 A S H > S+ 0 0 4 -24,-0.5 4,-2.0 2,-0.2 -1,-0.2 0.974 119.8 43.4 -64.3 -54.4 -0.8 17.1 15.0 208 213 A P H > S+ 0 0 1 0, 0.0 4,-2.7 0, 0.0 -1,-0.2 0.921 114.7 51.1 -57.7 -41.5 -3.8 19.2 16.0 209 214 A A H X S+ 0 0 0 -4,-2.9 4,-2.9 1,-0.2 5,-0.2 0.897 106.0 56.5 -62.0 -38.1 -1.7 21.2 18.5 210 215 A G H X S+ 0 0 0 -4,-2.4 4,-2.2 -5,-0.3 -1,-0.2 0.915 110.5 44.0 -57.8 -44.4 0.9 21.7 15.8 211 216 A F H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 5,-0.2 0.939 113.4 50.1 -64.1 -47.6 -1.8 23.4 13.6 212 217 A W H X S+ 0 0 48 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.909 113.8 46.1 -56.3 -44.4 -3.2 25.4 16.5 213 218 A D H X S+ 0 0 0 -4,-2.9 4,-2.2 2,-0.2 -1,-0.2 0.864 111.6 50.0 -71.9 -38.3 0.3 26.6 17.4 214 219 A A H X S+ 0 0 0 -4,-2.2 4,-1.5 -5,-0.2 -1,-0.2 0.907 112.4 47.9 -65.6 -41.1 1.3 27.5 13.8 215 220 A V H <>S+ 0 0 6 -4,-2.6 5,-0.7 2,-0.2 4,-0.5 0.888 109.4 54.6 -67.1 -38.1 -2.0 29.4 13.4 216 221 A R H ><5S+ 0 0 107 -4,-2.2 3,-1.5 -5,-0.2 -2,-0.2 0.942 108.2 48.7 -53.4 -50.9 -1.2 31.1 16.8 217 222 A L H 3<5S+ 0 0 42 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.763 98.8 66.9 -65.1 -29.1 2.2 32.2 15.4 218 223 A A T 3<5S- 0 0 27 -4,-1.5 -1,-0.3 -5,-0.1 -2,-0.2 0.628 98.0-143.7 -67.7 -16.0 0.6 33.5 12.2 219 224 A G T < 5 + 0 0 64 -3,-1.5 -3,-0.1 -4,-0.5 -2,-0.1 0.648 67.8 110.6 66.7 22.5 -1.1 36.2 14.5 220 225 A G S > - 0 0 5 1,-0.1 4,-2.4 2,-0.1 3,-1.0 -0.246 50.8 -70.8 119.5 161.9 -11.3 19.6 21.6 230 235 A R H 3> S+ 0 0 81 1,-0.3 4,-2.1 2,-0.2 -1,-0.1 0.768 118.7 69.9 -56.3 -31.3 -11.0 22.2 24.4 231 236 A L H 34 S+ 0 0 15 -28,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.935 114.0 27.4 -53.5 -45.2 -7.6 23.4 22.9 232 237 A F H <4 S+ 0 0 12 -3,-1.0 3,-0.2 1,-0.1 -2,-0.2 0.894 121.5 50.5 -83.0 -44.2 -9.5 24.8 20.0 233 238 A D H < S+ 0 0 77 -4,-2.4 2,-1.3 1,-0.2 -3,-0.2 0.690 88.3 81.7 -79.1 -15.9 -12.9 25.5 21.4 234 239 A E < 0 0 111 -4,-2.1 -1,-0.2 -5,-0.2 -4,-0.1 -0.241 360.0 360.0 -86.6 51.3 -11.8 27.5 24.5 235 240 A S 0 0 124 -2,-1.3 -12,-0.0 -3,-0.2 -3,-0.0 -0.955 360.0 360.0-152.8 360.0 -11.4 30.7 22.5