==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 14-AUG-09 3IOD . COMPND 2 MOLECULE: PANTOTHENATE SYNTHETASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR A.CIULLI,D.E.SCOTT,C.ABELL . 548 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22930.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 393 71.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 50 9.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 53 9.7 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 . 4 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 3 0.5 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 . 47 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 67 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 164 29.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.1 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 2 0 2 0 0 0 2 2 0 8 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 4 0 2 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 PARALLEL BRIDGES PER LADDER . 3 0 1 0 0 0 0 2 0 1 1 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 1 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 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 P 0 0 85 0, 0.0 2,-0.2 0, 0.0 10,-0.0 0.000 360.0 360.0 360.0 138.3 -2.4 24.5 18.6 2 5 A A - 0 0 62 2,-0.0 2,-0.4 1,-0.0 18,-0.1 -0.474 360.0-162.2 -74.8 145.1 -4.0 26.3 15.7 3 6 A F - 0 0 46 -2,-0.2 90,-0.1 6,-0.0 5,-0.0 -0.974 2.4-165.8-130.1 121.6 -4.4 24.6 12.3 4 7 A H > - 0 0 94 -2,-0.4 3,-1.3 88,-0.2 -2,-0.0 -0.897 19.9-137.7-106.3 106.9 -5.1 26.7 9.1 5 8 A P T 3 S+ 0 0 87 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 -0.212 85.9 25.0 -63.3 154.5 -6.2 24.6 6.2 6 9 A G T 3 S+ 0 0 70 1,-0.2 2,-0.3 84,-0.1 85,-0.1 0.573 112.2 85.1 66.5 9.5 -4.8 25.3 2.7 7 10 A E S < S- 0 0 121 -3,-1.3 2,-0.6 85,-0.1 -1,-0.2 -0.915 88.9 -97.6-130.4 162.2 -1.7 26.9 4.4 8 11 A L - 0 0 21 -2,-0.3 2,-0.5 -3,-0.1 85,-0.2 -0.734 36.5-166.8 -82.7 121.9 1.6 25.5 5.7 9 12 A N E -a 93 0A 10 83,-2.3 85,-2.8 -2,-0.6 2,-0.5 -0.934 4.2-157.5-110.6 124.4 1.4 25.0 9.5 10 13 A V E +a 94 0A 60 -2,-0.5 2,-0.4 83,-0.2 85,-0.2 -0.932 12.2 179.8-109.2 122.8 4.8 24.3 11.2 11 14 A Y E +a 95 0A 16 83,-2.5 85,-2.8 -2,-0.5 -2,-0.0 -0.966 16.1 177.7-119.3 137.9 4.8 22.6 14.6 12 15 A S + 0 0 62 -2,-0.4 86,-0.4 83,-0.2 -1,-0.1 0.746 62.5 82.7-101.3 -35.1 7.9 21.8 16.6 13 16 A A S > S- 0 0 40 1,-0.2 4,-1.9 84,-0.1 3,-0.3 -0.526 71.3-143.6 -75.5 125.9 6.4 20.2 19.7 14 17 A P H > S+ 0 0 23 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.922 102.9 56.5 -52.0 -41.6 5.5 16.5 19.2 15 18 A G H > S+ 0 0 41 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.867 105.1 52.1 -57.0 -39.3 2.4 17.1 21.4 16 19 A D H > S+ 0 0 62 -3,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.949 112.7 41.4 -64.4 -51.9 1.2 19.9 19.0 17 20 A V H X S+ 0 0 0 -4,-1.9 4,-2.6 1,-0.2 -1,-0.2 0.858 114.6 53.6 -66.8 -30.4 1.4 17.8 15.8 18 21 A A H X S+ 0 0 19 -4,-2.4 4,-2.4 -5,-0.3 -1,-0.2 0.930 111.3 45.9 -67.3 -44.8 -0.0 14.8 17.6 19 22 A D H X S+ 0 0 67 -4,-2.4 4,-2.5 -5,-0.2 -2,-0.2 0.923 115.5 45.1 -62.8 -47.1 -3.0 16.9 18.8 20 23 A V H X S+ 0 0 7 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.880 113.5 50.0 -65.3 -42.7 -3.6 18.4 15.3 21 24 A S H X S+ 0 0 1 -4,-2.6 4,-2.2 -5,-0.2 -1,-0.2 0.906 112.0 47.8 -61.7 -43.6 -3.2 15.1 13.6 22 25 A R H X S+ 0 0 87 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.924 112.5 49.1 -62.7 -46.6 -5.7 13.4 16.0 23 26 A A H X S+ 0 0 52 -4,-2.5 4,-1.6 1,-0.2 -2,-0.2 0.931 112.0 48.8 -58.7 -47.7 -8.2 16.3 15.5 24 27 A L H <>S+ 0 0 15 -4,-2.5 5,-2.2 1,-0.2 -1,-0.2 0.859 111.1 49.2 -63.6 -37.4 -7.8 16.1 11.7 25 28 A R H ><5S+ 0 0 78 -4,-2.2 3,-2.0 1,-0.2 -1,-0.2 0.913 107.4 55.4 -67.7 -40.6 -8.3 12.3 11.7 26 29 A L H 3<5S+ 0 0 125 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.840 105.0 53.2 -61.8 -32.6 -11.4 12.7 13.9 27 30 A T T 3<5S- 0 0 108 -4,-1.6 -1,-0.3 -5,-0.1 -2,-0.2 0.293 128.2 -99.2 -85.5 9.6 -12.9 15.1 11.3 28 31 A G T < 5S+ 0 0 62 -3,-2.0 -3,-0.2 1,-0.3 2,-0.2 0.369 76.7 138.0 94.4 -4.5 -12.3 12.5 8.5 29 32 A R < - 0 0 64 -5,-2.2 2,-0.6 -6,-0.2 -1,-0.3 -0.517 52.3-129.1 -72.7 140.2 -9.1 13.7 6.9 30 33 A R E -b 57 0A 84 26,-1.4 28,-2.5 -2,-0.2 2,-0.4 -0.856 21.9-135.2 -93.4 123.5 -6.6 10.9 6.1 31 34 A V E -b 58 0A 0 -2,-0.6 115,-2.6 113,-0.2 116,-1.3 -0.631 18.6-166.2 -86.9 123.5 -3.2 11.7 7.5 32 35 A M E -bc 59 147A 0 26,-3.2 28,-3.4 -2,-0.4 2,-0.5 -0.913 5.6-154.9-107.8 133.4 -0.2 11.1 5.2 33 36 A L E -bc 60 148A 0 114,-2.8 116,-2.4 -2,-0.5 28,-0.2 -0.940 13.8-178.2-113.7 129.3 3.3 11.1 6.6 34 37 A V E -b 61 0A 0 26,-2.9 28,-1.6 -2,-0.5 2,-0.4 -0.881 16.8-157.1-119.3 94.6 6.4 11.9 4.6 35 38 A P E +b 62 0A 19 0, 0.0 2,-0.3 0, 0.0 28,-0.1 -0.600 23.2 163.8 -75.8 129.1 9.5 11.5 6.9 36 39 A T E -b 63 0A 13 26,-1.6 28,-1.9 -2,-0.4 3,-0.1 -0.935 47.2-139.2-136.6 164.7 12.5 13.4 5.7 37 40 A M - 0 0 30 1,-0.5 26,-0.1 -2,-0.3 28,-0.1 0.033 59.4-117.1-103.5 24.2 15.9 14.7 6.9 38 41 A G S S+ 0 0 2 24,-0.4 -1,-0.5 1,-0.1 3,-0.1 -0.225 82.2 111.0 70.1-164.0 15.3 18.0 5.0 39 42 A A - 0 0 1 1,-0.2 2,-0.1 39,-0.1 5,-0.1 0.967 66.9-155.6 57.5 54.4 17.5 19.3 2.1 40 43 A L + 0 0 11 38,-0.2 2,-0.2 3,-0.1 -1,-0.2 -0.366 24.2 168.2 -74.3 135.6 14.5 18.6 -0.0 41 44 A H >> - 0 0 42 -3,-0.1 4,-2.2 -2,-0.1 3,-0.6 -0.718 56.2 -75.1-128.1-173.4 14.7 17.9 -3.7 42 45 A E H 3> S+ 0 0 82 1,-0.3 4,-1.9 -2,-0.2 5,-0.1 0.770 127.0 62.2 -58.7 -27.1 12.4 16.6 -6.5 43 46 A G H 3> S+ 0 0 15 2,-0.2 4,-1.1 1,-0.2 -1,-0.3 0.939 107.6 43.0 -62.1 -47.1 12.8 13.1 -5.1 44 47 A H H X> S+ 0 0 31 -3,-0.6 4,-2.2 1,-0.2 3,-0.6 0.907 110.0 57.2 -62.5 -40.7 11.2 14.2 -1.8 45 48 A L H 3X S+ 0 0 4 -4,-2.2 4,-2.7 1,-0.3 -2,-0.2 0.840 100.3 58.1 -63.8 -29.4 8.6 16.2 -3.8 46 49 A A H 3X S+ 0 0 20 -4,-1.9 4,-2.0 2,-0.2 -1,-0.3 0.863 106.7 48.8 -63.6 -37.0 7.5 13.0 -5.6 47 50 A L H < S+ 0 0 0 -4,-2.2 3,-1.3 1,-0.2 -2,-0.2 0.910 109.3 54.7 -61.2 -46.9 0.8 11.6 -0.5 52 55 A K H 3< S+ 0 0 100 -4,-2.5 5,-0.3 1,-0.3 -2,-0.2 0.840 97.6 62.8 -58.3 -37.7 -1.3 14.5 -1.9 53 56 A R T 3< S+ 0 0 176 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.593 75.6 101.1 -73.6 -8.8 -3.1 12.4 -4.5 54 57 A V S X S- 0 0 10 -3,-1.3 3,-1.9 -4,-0.3 -24,-0.1 -0.650 89.0-110.1 -73.0 119.4 -4.7 10.3 -1.7 55 58 A P T 3 S+ 0 0 93 0, 0.0 -25,-0.1 0, 0.0 3,-0.1 -0.250 97.0 10.4 -61.5 137.1 -8.2 11.8 -1.6 56 59 A G T 3 S+ 0 0 48 1,-0.2 -26,-1.4 -4,-0.1 -3,-0.1 0.522 95.6 157.8 78.4 6.3 -9.1 13.7 1.6 57 60 A S E < -b 30 0A 15 -3,-1.9 2,-0.4 -5,-0.3 -1,-0.2 -0.215 35.6-159.8 -66.7 146.0 -5.4 13.6 2.6 58 61 A V E -b 31 0A 0 -28,-2.5 -26,-3.2 -3,-0.1 2,-0.6 -0.994 23.4-140.1-115.3 132.7 -3.7 16.0 4.9 59 62 A V E -b 32 0A 4 -2,-0.4 34,-1.7 -28,-0.2 2,-0.6 -0.839 17.0-170.9-100.8 120.5 0.1 15.8 4.3 60 63 A V E -bd 33 93A 0 -28,-3.4 -26,-2.9 -2,-0.6 2,-0.6 -0.957 4.0-169.7-104.3 122.4 2.5 15.9 7.2 61 64 A V E -bd 34 94A 1 32,-2.7 34,-2.6 -2,-0.6 2,-0.3 -0.964 8.4-155.7-110.8 121.0 6.2 16.3 6.2 62 65 A S E -bd 35 95A 0 -28,-1.6 -26,-1.6 -2,-0.6 2,-0.4 -0.736 6.7-166.5 -93.3 145.6 8.6 15.8 9.0 63 66 A I E +b 36 0A 24 32,-2.5 2,-0.3 -2,-0.3 -26,-0.2 -0.963 28.0 140.5-131.5 112.0 12.1 17.3 8.9 64 67 A F - 0 0 12 -28,-1.9 2,-1.0 -2,-0.4 -26,-0.1 -0.928 44.1-144.1-158.1 122.8 14.5 15.9 11.5 65 68 A V - 0 0 24 -2,-0.3 -28,-0.1 -28,-0.1 -2,-0.0 -0.845 30.9-144.7 -93.0 105.3 18.2 15.1 11.1 66 69 A N > - 0 0 2 -2,-1.0 3,-1.4 1,-0.2 4,-0.3 -0.628 13.9-162.4 -82.8 109.6 18.2 12.1 13.4 67 70 A P G > S+ 0 0 41 0, 0.0 3,-1.0 0, 0.0 -1,-0.2 0.756 83.7 67.7 -63.1 -20.9 21.4 11.9 15.3 68 71 A M G 3 S+ 0 0 24 1,-0.2 63,-0.3 63,-0.2 64,-0.2 0.675 95.1 52.7 -75.9 -19.9 20.8 8.2 16.1 69 72 A Q G < 0 0 20 -3,-1.4 -1,-0.2 62,-0.3 63,-0.1 0.410 360.0 360.0 -94.7 1.3 21.2 6.8 12.5 70 73 A F < 0 0 86 -3,-1.0 61,-0.1 -4,-0.3 57,-0.0 -0.510 360.0 360.0 -98.4 360.0 24.6 8.6 12.2 71 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 72 79 A L > 0 0 81 0, 0.0 3,-0.6 0, 0.0 -3,-0.0 0.000 360.0 360.0 360.0 -46.8 26.2 14.2 11.4 73 80 A D T 3 + 0 0 158 1,-0.2 0, 0.0 3,-0.0 0, 0.0 0.797 360.0 56.7 -68.7 -27.1 27.8 17.7 11.2 74 81 A A T 3 S+ 0 0 81 2,-0.1 -1,-0.2 0, 0.0 3,-0.1 0.599 79.2 113.5 -80.1 -15.5 28.4 17.2 7.5 75 82 A Y S < S- 0 0 27 -3,-0.6 2,-0.1 1,-0.1 -36,-0.1 -0.408 77.4-105.2 -66.0 131.5 24.7 16.5 6.6 76 83 A P - 0 0 12 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.331 37.7-171.1 -59.1 126.0 23.1 19.3 4.4 77 84 A R + 0 0 119 -2,-0.1 -39,-0.1 -39,-0.1 -40,-0.0 -0.964 23.4 149.5-126.4 113.9 20.7 21.6 6.3 78 85 A T > + 0 0 45 -2,-0.5 4,-2.0 1,-0.1 -38,-0.2 -0.522 6.1 162.5-137.7 72.0 18.5 24.2 4.5 79 86 A P H > S+ 0 0 79 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.821 73.4 57.1 -64.1 -37.6 15.3 24.7 6.6 80 87 A D H > S+ 0 0 137 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.968 111.7 40.9 -52.2 -63.7 14.2 28.0 4.9 81 88 A D H > S+ 0 0 95 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.842 110.9 59.1 -55.4 -41.4 14.2 26.4 1.4 82 89 A D H X S+ 0 0 3 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.951 107.6 43.5 -59.0 -51.5 12.6 23.2 2.6 83 90 A L H X S+ 0 0 34 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.828 110.6 57.1 -65.6 -31.9 9.5 25.0 4.0 84 91 A A H X S+ 0 0 50 -4,-1.7 4,-2.6 2,-0.2 -1,-0.2 0.923 107.9 47.3 -60.8 -47.1 9.2 27.2 0.9 85 92 A Q H X S+ 0 0 55 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.900 111.0 51.0 -60.6 -45.7 9.0 24.0 -1.3 86 93 A L H <>S+ 0 0 0 -4,-2.2 5,-2.4 2,-0.2 4,-0.4 0.907 110.1 49.9 -59.3 -44.8 6.4 22.5 1.0 87 94 A R H ><5S+ 0 0 142 -4,-2.6 3,-1.3 1,-0.2 -2,-0.2 0.928 110.1 50.8 -55.5 -47.2 4.4 25.8 0.8 88 95 A A H 3<5S+ 0 0 82 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.837 109.8 50.8 -59.0 -34.5 4.8 25.6 -3.1 89 96 A E T 3<5S- 0 0 38 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.489 114.4-117.7 -85.1 -3.5 3.5 22.0 -2.9 90 97 A G T < 5 + 0 0 34 -3,-1.3 -3,-0.2 -4,-0.4 2,-0.2 0.725 53.3 165.4 71.8 21.9 0.5 22.9 -0.9 91 98 A V < - 0 0 2 -5,-2.4 -1,-0.2 -6,-0.2 3,-0.1 -0.511 24.6-159.3 -65.7 135.8 1.6 20.8 2.1 92 99 A E + 0 0 23 -33,-0.5 -83,-2.3 1,-0.2 2,-0.4 0.685 67.6 43.1 -96.6 -19.9 -0.4 21.7 5.2 93 100 A I E -ad 9 60A 0 -34,-1.7 -32,-2.7 -85,-0.2 2,-0.5 -0.978 51.3-178.9-134.9 125.5 1.8 20.4 8.0 94 101 A A E -ad 10 61A 0 -85,-2.8 -83,-2.5 -2,-0.4 2,-0.6 -0.987 14.0-158.4-111.7 131.7 5.5 20.5 8.6 95 102 A F E +ad 11 62A 0 -34,-2.6 -32,-2.5 -2,-0.5 -83,-0.2 -0.941 16.3 171.8-110.7 114.6 6.7 18.8 11.7 96 103 A T - 0 0 35 -85,-2.8 -32,-0.1 -2,-0.6 -34,-0.1 -0.656 12.7-176.5-126.3 71.0 10.2 20.1 12.8 97 104 A P - 0 0 11 0, 0.0 2,-0.2 0, 0.0 -84,-0.1 -0.291 23.2-118.1 -72.1 156.0 11.0 18.6 16.2 98 105 A T > - 0 0 77 -86,-0.4 4,-1.7 1,-0.1 5,-0.2 -0.510 22.5-117.2 -82.6 160.6 14.1 19.4 18.3 99 106 A T H > S+ 0 0 74 1,-0.2 4,-2.8 2,-0.2 -1,-0.1 0.918 117.5 53.9 -61.4 -41.9 16.6 16.8 19.3 100 107 A A H 4 S+ 0 0 72 1,-0.2 -1,-0.2 2,-0.2 6,-0.1 0.886 107.8 49.0 -62.0 -37.8 15.7 17.4 22.9 101 108 A A H 4 S+ 0 0 36 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.838 118.0 40.3 -71.0 -32.1 12.0 16.8 22.3 102 109 A M H < S+ 0 0 1 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.792 129.5 27.8 -84.8 -32.5 12.7 13.6 20.4 103 110 A Y >< + 0 0 31 -4,-2.8 3,-2.0 -5,-0.2 -1,-0.2 -0.346 65.6 146.6-127.4 54.4 15.4 12.3 22.7 104 111 A P T 3 S+ 0 0 91 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.759 86.0 38.1 -65.8 -21.7 14.8 13.7 26.2 105 112 A D T 3 S- 0 0 83 1,-0.4 2,-0.1 -3,-0.1 -5,-0.1 0.133 107.5-129.8-113.0 20.5 16.2 10.5 27.7 106 113 A G < - 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0 0 16 -3,-1.6 73,-0.1 -4,-0.4 -3,-0.0 -0.505 66.3-138.9 -69.5 129.4 5.4 -24.2 47.8 467 203 B D > - 0 0 76 -2,-0.3 4,-3.7 1,-0.1 5,-0.3 -0.265 37.1 -91.1 -76.8 170.7 5.3 -26.9 50.3 468 204 B P H > S+ 0 0 115 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.887 127.9 46.3 -54.8 -42.5 4.0 -26.1 53.8 469 205 B A H > S+ 0 0 73 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.908 117.2 44.9 -63.6 -44.8 7.4 -25.2 55.3 470 206 B Q H > S+ 0 0 45 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.878 111.3 52.7 -66.5 -40.3 8.2 -23.0 52.2 471 207 B R H < S+ 0 0 64 -4,-3.7 4,-0.5 2,-0.2 -2,-0.2 0.895 111.5 47.1 -63.9 -36.2 4.7 -21.5 52.2 472 208 B A H >< S+ 0 0 65 -4,-2.2 3,-1.0 -5,-0.3 -2,-0.2 0.932 113.9 46.6 -67.9 -44.8 5.2 -20.5 55.8 473 209 B A H >< S+ 0 0 13 -4,-2.3 3,-2.2 1,-0.2 4,-0.2 0.817 98.7 71.4 -67.3 -29.9 8.7 -19.1 55.2 474 210 B A T >X S+ 0 0 0 -4,-2.2 3,-1.4 1,-0.3 4,-0.6 0.674 79.8 75.1 -61.5 -23.4 7.5 -17.2 52.0 475 211 B V H <> S+ 0 0 47 -3,-1.0 4,-2.5 -4,-0.5 -1,-0.3 0.718 78.7 77.6 -59.8 -23.2 5.6 -14.7 54.3 476 212 B A H <> S+ 0 0 7 -3,-2.2 4,-2.5 1,-0.2 -1,-0.3 0.811 84.4 60.9 -61.9 -28.9 9.0 -13.2 55.1 477 213 B L H <> S+ 0 0 3 -3,-1.4 4,-2.0 -4,-0.2 -1,-0.2 0.976 113.0 33.6 -61.6 -55.6 9.1 -11.4 51.8 478 214 B S H X S+ 0 0 5 -4,-0.6 4,-2.8 1,-0.2 5,-0.3 0.884 118.8 53.2 -67.8 -38.7 6.0 -9.3 52.4 479 215 B A H X S+ 0 0 36 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.886 109.5 49.5 -63.2 -40.4 6.7 -9.1 56.2 480 216 B A H X S+ 0 0 1 -4,-2.5 4,-2.3 -5,-0.2 -1,-0.2 0.908 112.9 47.3 -63.7 -42.8 10.2 -7.8 55.4 481 217 B L H X S+ 0 0 1 -4,-2.0 4,-2.4 -5,-0.2 -2,-0.2 0.929 113.6 45.2 -66.5 -45.8 8.8 -5.2 53.0 482 218 B T H X S+ 0 0 62 -4,-2.8 4,-1.8 2,-0.2 5,-0.2 0.889 112.5 52.4 -67.5 -38.0 6.1 -3.9 55.3 483 219 B A H X S+ 0 0 34 -4,-2.3 4,-2.6 -5,-0.3 -1,-0.2 0.937 111.1 48.3 -56.5 -47.3 8.5 -3.8 58.2 484 220 B A H X S+ 0 0 0 -4,-2.3 4,-1.1 1,-0.2 -2,-0.2 0.907 106.9 55.1 -61.1 -43.0 10.8 -1.7 56.0 485 221 B A H < S+ 0 0 27 -4,-2.4 65,-0.3 1,-0.2 -1,-0.2 0.868 115.2 39.6 -61.9 -36.3 8.0 0.7 55.0 486 222 B H H >< S+ 0 0 151 -4,-1.8 3,-0.9 1,-0.2 -1,-0.2 0.819 112.0 55.3 -82.0 -31.7 7.3 1.4 58.7 487 223 B A H >< S+ 0 0 26 -4,-2.6 3,-2.4 1,-0.2 -1,-0.2 0.666 86.1 88.2 -67.5 -19.1 10.9 1.5 59.7 488 224 B A G >< + 0 0 0 -4,-1.1 64,-2.4 1,-0.3 3,-2.0 0.650 66.6 75.3 -64.6 -21.1 11.5 4.1 57.0 489 225 B T G < S+ 0 0 115 -3,-0.9 -1,-0.3 1,-0.3 -2,-0.1 0.772 96.8 52.8 -54.2 -26.7 10.6 7.0 59.4 490 226 B A G < S- 0 0 78 -3,-2.4 4,-0.3 1,-0.3 -1,-0.3 0.301 125.5 -95.4 -93.1 3.8 14.1 6.3 60.9 491 227 B G <> - 0 0 19 -3,-2.0 4,-1.9 59,-0.2 -1,-0.3 -0.263 43.2 -61.6 107.8 174.6 15.8 6.5 57.4 492 228 B A H > S+ 0 0 31 34,-0.3 4,-2.8 1,-0.2 5,-0.2 0.868 127.3 50.7 -65.6 -40.8 16.9 4.3 54.5 493 229 B Q H > S+ 0 0 122 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.894 109.8 51.2 -66.3 -40.2 19.4 2.2 56.4 494 230 B A H > S+ 0 0 34 -4,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.904 110.8 49.7 -59.2 -39.4 16.8 1.4 59.1 495 231 B A H X S+ 0 0 2 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.957 114.2 43.5 -68.1 -49.6 14.4 0.4 56.4 496 232 B L H X S+ 0 0 45 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.911 114.7 49.9 -61.3 -43.3 16.9 -1.9 54.7 497 233 B D H X S+ 0 0 93 -4,-2.9 4,-2.1 2,-0.2 -1,-0.2 0.877 109.8 51.1 -65.3 -38.8 18.2 -3.3 58.0 498 234 B A H X S+ 0 0 26 -4,-2.6 4,-1.9 2,-0.2 -1,-0.2 0.939 112.1 46.7 -61.3 -47.8 14.6 -4.1 59.2 499 235 B A H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 5,-0.2 0.926 112.1 50.2 -61.6 -43.4 13.8 -5.9 55.9 500 236 B R H X S+ 0 0 94 -4,-2.6 4,-3.0 1,-0.2 -1,-0.2 0.888 107.6 54.1 -65.9 -36.6 17.1 -7.9 56.1 501 237 B A H X S+ 0 0 58 -4,-2.1 4,-0.8 2,-0.2 -1,-0.2 0.905 108.7 48.6 -60.5 -44.5 16.4 -8.9 59.7 502 238 B V H >< S+ 0 0 40 -4,-1.9 3,-0.8 2,-0.2 -2,-0.2 0.929 113.5 46.0 -62.0 -46.5 13.0 -10.3 58.7 503 239 B L H >< S+ 0 0 5 -4,-2.3 3,-1.8 1,-0.2 -2,-0.2 0.907 108.8 57.2 -63.8 -40.1 14.5 -12.3 55.8 504 240 B D H 3< S+ 0 0 118 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.698 99.7 59.4 -62.2 -20.4 17.3 -13.4 58.1 505 241 B A T << S+ 0 0 87 -4,-0.8 -1,-0.3 -3,-0.8 -2,-0.2 0.466 92.3 86.2 -84.9 -2.7 14.7 -15.0 60.4 506 242 B A S X S- 0 0 20 -3,-1.8 3,-0.6 -4,-0.2 2,-0.3 -0.844 71.5-138.2-105.9 132.5 13.3 -17.3 57.6 507 243 B P T 3 S+ 0 0 103 0, 0.0 3,-0.1 0, 0.0 -2,-0.1 -0.622 82.2 14.4 -85.8 148.9 14.8 -20.7 56.8 508 244 B G T 3 S+ 0 0 65 -2,-0.3 2,-0.6 1,-0.2 31,-0.3 0.762 87.0 129.7 65.5 28.1 15.3 -21.8 53.2 509 245 B V < - 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