==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 18-JAN-99 1B6T . COMPND 2 MOLECULE: PROTEIN (PHOSPHOPANTETHEINE ADENYLYLTRANSFERASE); . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR T.IZARD . 314 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14827.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 229 72.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 46 14.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.6 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 . 2 0.6 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 . 23 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 109 34.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.3 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 0 0 0 2 0 2 1 3 0 2 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 0 0 2 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 PARALLEL BRIDGES PER LADDER . 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 1 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 3 A K 0 0 94 0, 0.0 28,-2.1 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 106.9 14.5 31.7 61.3 2 4 A R E -a 29 0A 74 78,-0.3 80,-2.6 26,-0.2 81,-1.4 -0.897 360.0-173.2-107.9 122.7 17.4 34.2 61.6 3 5 A A E -ab 30 83A 0 26,-3.0 28,-3.0 -2,-0.5 2,-0.4 -0.814 10.4-150.8-111.7 152.4 19.3 35.3 58.6 4 6 A I E -ab 31 84A 0 79,-2.7 81,-3.1 -2,-0.3 28,-0.2 -0.982 5.9-167.6-124.6 135.0 22.5 37.4 58.4 5 7 A Y E -a 32 0A 13 26,-3.1 28,-1.2 -2,-0.4 2,-0.2 -0.867 23.1-173.1-122.9 90.7 23.3 39.7 55.5 6 8 A P E +a 33 0A 10 0, 0.0 2,-0.3 0, 0.0 28,-0.2 -0.522 20.1 116.4 -89.8 155.0 27.0 40.7 56.0 7 9 A G E -a 34 0A 24 26,-1.7 28,-3.0 -2,-0.2 -2,-0.0 -0.967 67.6 -93.7 171.9-178.4 29.2 43.1 54.2 8 10 A T - 0 0 55 -2,-0.3 4,-0.1 26,-0.2 -1,-0.1 0.757 40.8-164.1 -90.2 -28.1 31.2 46.3 54.5 9 11 A F > - 0 0 7 1,-0.2 3,-0.7 2,-0.2 44,-0.1 0.913 11.1-175.6 40.6 60.2 28.3 48.5 53.3 10 12 A D T 3 S- 0 0 6 1,-0.6 33,-0.2 33,-0.0 -1,-0.2 -0.702 85.3 -7.9-120.8 76.8 30.7 51.4 52.6 11 13 A P T 3 S- 0 0 2 0, 0.0 -1,-0.6 0, 0.0 -2,-0.2 0.666 94.1-118.8-102.2 175.5 28.3 52.9 52.0 12 14 A I < - 0 0 2 -3,-0.7 2,-0.2 37,-0.2 136,-0.1 -0.448 37.6-160.3 -67.0 136.8 25.0 51.0 51.7 13 15 A T > - 0 0 7 131,-0.1 4,-2.2 -2,-0.1 131,-0.2 -0.636 35.1-100.2-115.1 173.7 23.5 51.3 48.2 14 16 A N H > S+ 0 0 35 129,-3.0 4,-2.2 1,-0.2 130,-0.1 0.805 123.9 58.6 -61.4 -29.2 20.1 50.9 46.6 15 17 A G H > S+ 0 0 9 128,-0.4 4,-2.2 2,-0.2 -1,-0.2 0.907 105.9 46.2 -67.0 -41.7 21.4 47.5 45.5 16 18 A H H > S+ 0 0 35 2,-0.2 4,-2.8 -3,-0.2 5,-0.2 0.898 112.4 50.9 -66.0 -40.9 22.0 46.5 49.1 17 19 A I H X S+ 0 0 26 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.888 107.9 54.0 -63.3 -38.9 18.6 47.8 50.1 18 20 A D H X S+ 0 0 18 -4,-2.2 4,-1.9 -5,-0.2 -2,-0.2 0.950 112.2 43.7 -59.5 -49.5 17.0 45.8 47.2 19 21 A I H X S+ 0 0 6 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.934 113.6 47.8 -64.4 -48.5 18.6 42.6 48.5 20 22 A V H X S+ 0 0 0 -4,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.855 109.5 55.5 -64.1 -31.3 17.8 43.1 52.2 21 23 A T H X S+ 0 0 35 -4,-2.0 4,-0.8 -5,-0.2 -1,-0.2 0.937 108.6 47.0 -65.7 -44.2 14.3 43.9 51.3 22 24 A R H >X S+ 0 0 35 -4,-1.9 3,-0.6 1,-0.2 4,-0.6 0.886 110.4 54.0 -63.7 -37.2 13.9 40.6 49.5 23 25 A A H >X S+ 0 0 0 -4,-2.2 4,-1.8 1,-0.2 3,-1.1 0.892 103.7 54.7 -64.7 -39.0 15.5 38.8 52.4 24 26 A T H 3< S+ 0 0 19 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.706 102.2 59.9 -68.3 -18.4 13.0 40.3 54.9 25 27 A Q H << S+ 0 0 117 -4,-0.8 -1,-0.2 -3,-0.6 -2,-0.2 0.662 115.7 30.3 -84.6 -16.1 10.1 39.0 52.7 26 28 A M H << S+ 0 0 13 -3,-1.1 2,-0.4 -4,-0.6 -2,-0.2 0.563 115.6 57.9-117.1 -12.0 11.2 35.3 53.1 27 29 A F S < S- 0 0 6 -4,-1.8 3,-0.1 -5,-0.1 -1,-0.1 -0.945 71.6-132.9-125.1 144.4 12.8 35.2 56.5 28 30 A D S S+ 0 0 113 -2,-0.4 2,-0.4 1,-0.2 -26,-0.2 0.923 91.5 14.0 -54.9 -54.0 11.5 36.0 60.0 29 31 A H E -a 2 0A 38 -28,-2.1 -26,-3.0 -6,-0.0 2,-0.5 -0.993 65.8-163.8-132.7 133.5 14.5 38.1 61.2 30 32 A V E -ac 3 63A 0 32,-3.0 34,-2.7 -2,-0.4 2,-0.7 -0.963 5.9-157.1-121.3 124.4 17.3 39.6 59.2 31 33 A I E -ac 4 64A 0 -28,-3.0 -26,-3.1 -2,-0.5 2,-1.1 -0.866 7.0-154.6 -99.0 112.6 20.5 40.9 60.7 32 34 A L E -ac 5 65A 0 32,-2.6 34,-2.5 -2,-0.7 2,-0.6 -0.790 22.2-161.3 -87.2 102.9 22.3 43.4 58.4 33 35 A A E -ac 6 66A 0 -28,-1.2 -26,-1.7 -2,-1.1 2,-0.6 -0.814 7.3-157.8 -96.4 117.8 25.8 42.9 59.7 34 36 A I E -ac 7 67A 0 32,-3.2 34,-2.2 -2,-0.6 2,-0.2 -0.835 18.8-127.4-100.3 116.9 28.4 45.6 59.0 35 37 A A E - c 0 68A 22 -28,-3.0 34,-0.2 -2,-0.6 32,-0.0 -0.425 18.6-154.7 -62.8 123.8 32.0 44.5 59.1 36 38 A A S S+ 0 0 27 32,-3.8 33,-0.2 1,-0.2 -1,-0.1 0.996 75.7 24.7 -64.8 -71.2 33.9 46.9 61.4 37 39 A S S S- 0 0 110 31,-0.2 -1,-0.2 32,-0.1 2,-0.1 -0.813 73.3-167.9-107.0 98.6 37.5 46.8 60.3 38 40 A P - 0 0 28 0, 0.0 31,-0.0 0, 0.0 -2,-0.0 -0.422 39.5-104.9 -79.1 157.2 38.0 45.9 56.6 39 41 A S S S+ 0 0 141 -2,-0.1 2,-0.4 2,-0.1 -2,-0.0 0.790 110.2 47.2 -50.5 -29.6 41.5 45.1 55.2 40 42 A K S S- 0 0 168 1,-0.0 -1,-0.0 0, 0.0 0, 0.0 -0.939 104.7 -94.0-120.3 140.1 41.4 48.5 53.6 41 43 A K - 0 0 198 -2,-0.4 -2,-0.1 -4,-0.1 -4,-0.1 -0.265 46.1-137.7 -51.6 113.4 40.4 51.9 55.1 42 44 A P - 0 0 38 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 -0.345 12.2-122.1 -73.9 156.2 36.7 52.4 54.4 43 45 A M S S+ 0 0 33 -33,-0.2 2,-0.3 -2,-0.1 -2,-0.0 0.930 98.1 39.6 -63.4 -47.0 35.3 55.7 53.3 44 46 A F S S- 0 0 4 1,-0.1 2,-0.1 2,-0.0 108,-0.0 -0.766 90.0-114.4-105.5 152.0 32.8 55.9 56.2 45 47 A T > - 0 0 61 -2,-0.3 4,-3.2 1,-0.1 5,-0.3 -0.372 33.9-104.3 -77.8 162.7 33.5 54.8 59.8 46 48 A L H > S+ 0 0 35 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.894 123.0 50.7 -53.7 -43.6 31.6 51.9 61.3 47 49 A E H > S+ 0 0 121 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.890 112.6 46.3 -62.8 -40.9 29.4 54.2 63.3 48 50 A E H > S+ 0 0 70 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.945 113.1 48.9 -67.1 -47.6 28.6 56.2 60.2 49 51 A R H X S+ 0 0 4 -4,-3.2 4,-2.4 1,-0.2 -2,-0.2 0.876 112.5 48.4 -60.6 -38.8 27.9 53.1 58.1 50 52 A V H X S+ 0 0 22 -4,-2.7 4,-2.8 -5,-0.3 -1,-0.2 0.926 112.4 48.6 -67.8 -43.5 25.6 51.7 60.9 51 53 A A H X S+ 0 0 53 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.936 113.2 46.8 -61.8 -47.3 23.7 55.0 61.1 52 54 A L H X S+ 0 0 18 -4,-2.9 4,-2.5 1,-0.2 -1,-0.2 0.931 114.7 46.7 -60.4 -46.4 23.3 55.2 57.4 53 55 A A H X S+ 0 0 0 -4,-2.4 4,-1.3 -5,-0.2 -1,-0.2 0.891 110.9 52.4 -64.2 -40.3 22.2 51.6 57.1 54 56 A Q H < S+ 0 0 100 -4,-2.8 3,-0.4 1,-0.2 4,-0.4 0.935 112.1 45.5 -61.1 -46.1 19.8 52.0 60.0 55 57 A Q H >< S+ 0 0 120 -4,-2.5 3,-0.9 1,-0.2 4,-0.3 0.906 111.5 52.5 -63.3 -43.0 18.2 55.0 58.4 56 58 A A H 3< S+ 0 0 11 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.705 119.3 34.7 -67.7 -21.4 17.9 53.3 55.0 57 59 A T T >< S+ 0 0 5 -4,-1.3 3,-2.3 -3,-0.4 -1,-0.2 0.249 80.5 112.9-116.4 10.5 16.2 50.3 56.5 58 60 A A T < S+ 0 0 70 -3,-0.9 -2,-0.1 -4,-0.4 -1,-0.1 0.805 76.5 57.4 -52.4 -31.5 14.2 52.0 59.2 59 61 A H T 3 S+ 0 0 129 -4,-0.3 2,-0.9 -3,-0.1 -1,-0.3 0.637 88.9 83.7 -76.3 -15.2 11.0 51.1 57.2 60 62 A L X - 0 0 23 -3,-2.3 3,-1.3 1,-0.2 -1,-0.1 -0.796 63.2-166.5 -94.9 103.5 11.8 47.4 57.4 61 63 A G T 3 S+ 0 0 80 -2,-0.9 -1,-0.2 1,-0.3 -4,-0.0 0.858 82.0 50.1 -56.4 -45.4 10.6 46.1 60.7 62 64 A N T 3 S+ 0 0 44 -38,-0.1 -32,-3.0 -35,-0.1 2,-0.5 0.102 90.0 103.2 -87.0 25.9 12.3 42.7 60.8 63 65 A V E < -c 30 0A 20 -3,-1.3 2,-0.5 -6,-0.2 -32,-0.2 -0.926 48.3-171.6-111.6 129.6 15.7 44.2 60.0 64 66 A E E -c 31 0A 73 -34,-2.7 -32,-2.6 -2,-0.5 2,-0.5 -0.978 11.5-150.6-121.7 120.1 18.4 44.7 62.6 65 67 A V E +c 32 0A 17 -2,-0.5 2,-0.3 -34,-0.2 -32,-0.2 -0.806 27.5 162.3 -93.3 125.6 21.6 46.6 61.8 66 68 A V E -c 33 0A 35 -34,-2.5 -32,-3.2 -2,-0.5 2,-0.3 -0.982 29.9-134.0-141.6 151.0 24.6 45.5 63.8 67 69 A G E -c 34 0A 29 -2,-0.3 2,-0.3 -34,-0.2 -32,-0.2 -0.731 22.7-177.5-103.3 155.4 28.4 45.9 63.5 68 70 A F E -c 35 0A 21 -34,-2.2 -32,-3.8 -2,-0.3 -31,-0.2 -0.992 20.9-171.7-150.2 152.3 30.9 43.1 64.0 69 71 A S + 0 0 105 -2,-0.3 3,-0.1 -34,-0.2 -32,-0.1 0.574 62.1 80.4-120.0 -16.9 34.7 42.8 63.9 70 72 A D S S- 0 0 92 1,-0.2 -34,-0.1 2,-0.1 -2,-0.0 -0.208 101.4 -58.8 -83.8-179.8 35.4 39.1 64.1 71 73 A L > - 0 0 81 1,-0.1 4,-1.8 4,-0.0 3,-0.4 -0.341 55.8-120.0 -54.2 137.9 35.3 36.6 61.2 72 74 A M H > S+ 0 0 27 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.901 112.0 54.2 -53.6 -44.1 31.8 36.7 59.9 73 75 A A H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.878 105.7 52.5 -61.0 -37.1 31.2 33.0 60.6 74 76 A N H > S+ 0 0 53 -3,-0.4 4,-2.0 2,-0.2 -1,-0.2 0.910 113.4 44.1 -65.2 -39.7 32.2 33.5 64.3 75 77 A F H X S+ 0 0 31 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.934 111.4 52.7 -69.3 -46.6 29.7 36.4 64.6 76 78 A A H <>S+ 0 0 0 -4,-3.1 5,-2.4 1,-0.2 4,-0.4 0.897 109.7 51.0 -56.0 -40.9 26.9 34.5 62.7 77 79 A R H ><5S+ 0 0 86 -4,-2.3 3,-1.4 -5,-0.2 -1,-0.2 0.953 110.7 45.6 -63.3 -50.4 27.4 31.6 65.1 78 80 A N H 3<5S+ 0 0 128 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.785 113.2 52.2 -64.0 -24.8 27.2 33.7 68.3 79 81 A Q T 3<5S- 0 0 50 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.485 110.1-126.0 -88.3 -4.4 24.1 35.4 66.8 80 82 A H T < 5 + 0 0 137 -3,-1.4 -78,-0.3 -4,-0.4 2,-0.3 0.852 49.1 163.7 61.9 38.3 22.5 32.0 66.1 81 83 A A < + 0 0 1 -5,-2.4 -1,-0.2 -6,-0.1 -78,-0.2 -0.640 21.7 179.7 -85.0 144.4 21.9 32.8 62.4 82 84 A T + 0 0 51 -80,-2.6 30,-2.9 -2,-0.3 2,-0.4 0.418 66.2 61.6-121.4 -6.4 21.2 29.7 60.2 83 85 A V E -bd 3 112A 0 -81,-1.4 -79,-2.7 28,-0.2 2,-0.6 -0.987 63.5-159.5-125.8 132.7 20.8 31.6 56.8 84 86 A L E -bd 4 113A 1 28,-2.9 30,-2.9 -2,-0.4 2,-0.4 -0.938 14.0-147.6-114.1 110.5 23.6 33.6 55.1 85 87 A I E + d 0 114A 0 -81,-3.1 2,-0.4 -2,-0.6 30,-0.2 -0.644 18.6 178.0 -82.7 127.1 22.3 36.1 52.6 86 88 A R E - d 0 115A 50 28,-2.5 30,-2.5 -2,-0.4 2,-0.5 -0.994 21.8-139.6-126.9 132.7 24.5 36.9 49.6 87 89 A G E - d 0 116A 15 -2,-0.4 2,-0.7 28,-0.2 30,-0.2 -0.815 13.3-157.4 -93.2 130.7 23.5 39.3 46.8 88 90 A L - 0 0 2 28,-3.0 2,-0.1 -2,-0.5 -2,-0.0 -0.864 9.1-169.5-112.0 100.0 24.4 38.1 43.4 89 91 A R > - 0 0 76 -2,-0.7 3,-1.6 28,-0.1 35,-0.1 -0.351 38.4-109.0 -78.2 166.1 24.6 40.9 40.8 90 92 A A T 3 S+ 0 0 26 33,-1.2 34,-0.2 1,-0.3 -1,-0.1 0.760 122.6 49.2 -66.4 -22.8 24.9 40.1 37.1 91 93 A V T 3 S+ 0 0 74 32,-1.1 -1,-0.3 34,-0.1 33,-0.1 0.097 84.8 132.1-103.1 20.1 28.5 41.3 37.3 92 94 A A < - 0 0 18 -3,-1.6 2,-1.4 31,-0.1 3,-0.1 -0.356 67.6-116.5 -72.6 152.3 29.4 39.2 40.4 93 95 A D > - 0 0 105 1,-0.2 4,-1.9 2,-0.1 3,-0.2 -0.769 34.6-172.8 -88.2 93.4 32.6 37.1 40.5 94 96 A F H > S+ 0 0 4 -2,-1.4 4,-2.1 1,-0.2 -1,-0.2 0.870 78.6 56.7 -58.7 -40.9 30.8 33.8 40.8 95 97 A E H > S+ 0 0 82 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.910 107.8 49.1 -58.2 -42.2 33.9 31.8 41.3 96 98 A Y H > S+ 0 0 106 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.898 107.6 54.2 -65.1 -39.2 34.7 34.0 44.3 97 99 A E H X S+ 0 0 15 -4,-1.9 4,-2.6 1,-0.2 -1,-0.2 0.870 108.3 50.1 -63.0 -35.9 31.2 33.5 45.7 98 100 A M H X S+ 0 0 34 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.908 110.0 49.6 -68.8 -40.6 31.7 29.7 45.5 99 101 A Q H X S+ 0 0 138 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.957 114.4 46.0 -59.2 -50.7 35.0 29.9 47.3 100 102 A L H X S+ 0 0 41 -4,-2.8 4,-3.0 1,-0.2 5,-0.2 0.917 111.9 49.1 -59.1 -48.1 33.4 32.1 50.0 101 103 A A H X S+ 0 0 2 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.889 113.5 47.0 -62.9 -39.9 30.3 29.9 50.4 102 104 A H H X S+ 0 0 40 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.880 112.8 48.4 -71.7 -35.5 32.3 26.7 50.7 103 105 A M H X S+ 0 0 107 -4,-2.4 4,-2.5 -5,-0.2 -2,-0.2 0.945 113.2 48.1 -67.4 -45.1 34.8 28.3 53.2 104 106 A N H X S+ 0 0 18 -4,-3.0 4,-2.7 1,-0.2 -2,-0.2 0.866 110.6 52.1 -62.3 -33.4 31.8 29.6 55.3 105 107 A R H < S+ 0 0 31 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.885 108.8 50.3 -69.1 -37.6 30.2 26.1 55.1 106 108 A H H < S+ 0 0 149 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.938 115.4 43.1 -63.0 -46.7 33.4 24.6 56.3 107 109 A L H < S+ 0 0 53 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.881 136.9 7.8 -66.8 -42.7 33.6 27.0 59.2 108 110 A M >< + 0 0 5 -4,-2.7 3,-1.9 -5,-0.2 -1,-0.3 -0.694 61.4 178.7-145.4 86.9 29.9 26.8 60.1 109 111 A P T 3 S+ 0 0 78 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.760 81.1 67.7 -61.7 -23.3 27.9 24.1 58.3 110 112 A E T 3 S+ 0 0 100 1,-0.1 2,-0.7 -5,-0.1 -5,-0.1 0.545 86.3 81.3 -74.4 -5.2 24.7 25.1 60.2 111 113 A L S < S- 0 0 3 -3,-1.9 2,-0.5 -7,-0.2 -28,-0.2 -0.904 74.4-153.6-104.3 111.3 24.8 28.4 58.3 112 114 A E E -d 83 0A 4 -30,-2.9 -28,-2.9 -2,-0.7 2,-0.3 -0.750 10.4-132.2 -93.2 123.1 23.3 28.0 54.8 113 115 A S E -d 84 0A 5 -2,-0.5 162,-0.5 -30,-0.2 2,-0.4 -0.535 25.6-174.6 -72.9 133.8 24.3 30.3 52.0 114 116 A V E -d 85 0A 0 -30,-2.9 -28,-2.5 -2,-0.3 2,-0.5 -0.999 11.4-150.2-132.1 125.7 21.4 31.7 50.1 115 117 A F E -dE 86 273A 0 158,-2.4 158,-2.3 -2,-0.4 2,-0.3 -0.876 11.9-170.3-104.1 126.5 21.9 33.8 47.0 116 118 A L E -d 87 0A 0 -30,-2.5 -28,-3.0 -2,-0.5 156,-0.1 -0.812 16.4-132.3-110.4 153.0 19.3 36.5 46.1 117 119 A M - 0 0 2 154,-0.5 -28,-0.1 -2,-0.3 154,-0.1 -0.913 15.5-139.0-111.0 127.8 19.1 38.4 42.8 118 120 A P - 0 0 3 0, 0.0 -103,-0.1 0, 0.0 5,-0.1 -0.188 37.3 -83.0 -73.6 171.1 18.7 42.2 42.7 119 121 A S > - 0 0 27 1,-0.1 3,-1.2 -104,-0.1 4,-0.4 -0.299 44.5-104.7 -68.2 161.5 16.5 44.0 40.2 120 122 A K G > S+ 0 0 140 1,-0.3 3,-1.2 2,-0.2 4,-0.3 0.854 118.6 68.5 -56.1 -34.0 18.0 44.6 36.8 121 123 A E G 3 S+ 0 0 105 1,-0.3 -1,-0.3 2,-0.1 3,-0.2 0.825 111.6 28.3 -55.0 -37.3 18.3 48.3 37.8 122 124 A W G X S+ 0 0 38 -3,-1.2 3,-0.7 1,-0.1 -1,-0.3 0.210 93.3 101.3-110.6 13.6 21.0 47.4 40.4 123 125 A S T < S+ 0 0 2 -3,-1.2 -33,-1.2 -4,-0.4 -32,-1.1 0.594 84.5 41.6 -76.6 -11.0 22.5 44.3 38.7 124 126 A F T 3 S+ 0 0 139 -4,-0.3 2,-0.5 -3,-0.2 -1,-0.2 0.281 93.3 96.8-119.7 11.8 25.5 46.0 37.2 125 127 A I < - 0 0 26 -3,-0.7 2,-0.3 4,-0.0 -34,-0.1 -0.881 47.0-168.9-111.6 132.1 26.7 48.3 40.0 126 128 A S > - 0 0 35 -2,-0.5 4,-2.2 1,-0.1 3,-0.2 -0.869 29.8-127.4-112.9 147.2 29.4 47.6 42.6 127 129 A S H > S+ 0 0 29 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.869 110.3 59.7 -58.1 -37.7 30.0 49.8 45.7 128 130 A S H > S+ 0 0 83 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.930 107.7 43.4 -57.5 -48.0 33.6 50.0 44.7 129 131 A L H > S+ 0 0 87 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.891 110.6 55.9 -66.7 -39.9 32.8 51.7 41.3 130 132 A V H X S+ 0 0 6 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.935 111.3 44.2 -57.9 -45.6 30.2 53.9 43.0 131 133 A K H X S+ 0 0 42 -4,-2.6 4,-3.1 2,-0.2 5,-0.2 0.925 112.2 51.2 -65.3 -46.1 32.8 55.2 45.4 132 134 A E H X S+ 0 0 96 -4,-2.4 4,-1.0 1,-0.2 -2,-0.2 0.930 112.9 46.2 -56.5 -48.3 35.5 55.7 42.7 133 135 A V H ><>S+ 0 0 53 -4,-2.7 5,-2.1 2,-0.2 3,-0.7 0.933 113.5 48.4 -61.3 -47.2 33.1 57.6 40.5 134 136 A A H ><5S+ 0 0 12 -4,-2.4 3,-1.4 -5,-0.3 -2,-0.2 0.930 110.0 51.8 -59.8 -45.5 31.9 59.8 43.4 135 137 A R H 3<5S+ 0 0 116 -4,-3.1 -1,-0.3 1,-0.3 -2,-0.2 0.710 110.4 51.6 -64.4 -19.6 35.5 60.5 44.4 136 138 A H T <<5S- 0 0 129 -4,-1.0 -1,-0.3 -3,-0.7 -2,-0.2 -0.079 126.2 -92.8-111.6 34.2 36.2 61.5 40.8 137 139 A Q T < 5S+ 0 0 195 -3,-1.4 2,-0.3 1,-0.2 -3,-0.2 0.790 78.5 137.8 64.9 36.5 33.4 64.0 40.3 138 140 A G < - 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i 0 273A 40 28,-2.1 30,-2.5 -2,-0.4 2,-0.4 -0.974 24.6-133.9-136.7 149.3 17.4 26.8 42.0 245 89 B G E - i 0 274A 17 -2,-0.3 2,-0.5 28,-0.2 30,-0.2 -0.854 12.9-154.8-106.1 142.7 20.7 25.1 42.3 246 90 B L + 0 0 1 28,-2.2 3,-0.1 -2,-0.4 4,-0.0 -0.963 22.0 166.1-121.4 118.7 24.0 26.5 41.1 247 91 B R - 0 0 96 -2,-0.5 2,-0.3 1,-0.3 -1,-0.1 0.814 67.6 -39.9 -93.6 -39.6 27.0 24.3 40.2 248 92 B A S > S- 0 0 36 1,-0.1 4,-2.0 34,-0.0 3,-0.3 -0.905 82.7 -48.8-166.1-168.0 29.1 26.9 38.4 249 93 B V H > S+ 0 0 62 -2,-0.3 4,-2.2 1,-0.2 5,-0.2 0.903 124.2 55.5 -44.9 -59.5 29.2 29.9 36.0 250 94 B A H > S+ 0 0 72 1,-0.2 4,-2.0 2,-0.2 5,-0.3 0.894 108.8 48.7 -43.6 -51.5 27.0 28.4 33.3 251 95 B D H > S+ 0 0 21 -3,-0.3 4,-3.3 1,-0.2 5,-0.3 0.960 109.7 53.1 -54.2 -54.4 24.3 27.7 35.8 252 96 B F H X S+ 0 0 5 -4,-2.0 4,-1.6 1,-0.2 -2,-0.2 0.883 109.6 45.7 -48.8 -52.3 24.5 31.3 37.1 253 97 B E H X S+ 0 0 104 -4,-2.2 4,-1.3 2,-0.2 -1,-0.2 0.934 118.1 42.0 -60.9 -49.2 24.1 33.0 33.7 254 98 B Y H X S+ 0 0 117 -4,-2.0 4,-2.3 -5,-0.2 -2,-0.2 0.884 112.3 55.1 -66.3 -39.0 21.2 30.9 32.5 255 99 B E H X S+ 0 0 11 -4,-3.3 4,-2.9 -5,-0.3 -1,-0.2 0.802 103.6 56.3 -65.9 -29.0 19.5 31.0 36.0 256 100 B M H X S+ 0 0 14 -4,-1.6 4,-2.3 -5,-0.3 -1,-0.2 0.891 108.0 46.8 -70.0 -38.7 19.6 34.8 35.8 257 101 B Q H X S+ 0 0 146 -4,-1.3 4,-2.0 2,-0.2 -2,-0.2 0.957 116.6 44.5 -66.1 -47.8 17.7 34.9 32.5 258 102 B L H X S+ 0 0 47 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.918 113.4 50.6 -62.1 -44.3 15.2 32.4 33.9 259 103 B A H X S+ 0 0 3 -4,-2.9 4,-2.0 1,-0.2 -1,-0.2 0.889 111.0 47.8 -62.9 -41.5 14.9 34.2 37.2 260 104 B H H X S+ 0 0 39 -4,-2.3 4,-1.5 2,-0.2 -1,-0.2 0.862 111.6 50.3 -70.2 -32.5 14.3 37.6 35.6 261 105 B M H X S+ 0 0 110 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.942 112.4 47.2 -69.0 -43.8 11.7 36.1 33.3 262 106 B N H X S+ 0 0 9 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.849 109.0 54.2 -65.0 -32.7 9.9 34.5 36.2 263 107 B R H < S+ 0 0 30 -4,-2.0 -1,-0.2 2,-0.2 -2,-0.2 0.845 108.3 50.1 -69.0 -32.6 10.1 37.7 38.2 264 108 B H H < S+ 0 0 154 -4,-1.5 -2,-0.2 1,-0.2 -1,-0.2 0.871 116.1 42.0 -70.7 -37.3 8.4 39.5 35.3 265 109 B L H < S+ 0 0 56 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.818 137.6 9.9 -78.1 -34.5 5.7 36.8 35.2 266 110 B M >< - 0 0 5 -4,-2.8 3,-1.9 -5,-0.2 -1,-0.3 -0.663 63.3-177.3-149.7 87.0 5.3 36.6 38.9 267 111 B P T 3 S+ 0 0 83 0, 0.0 -4,-0.1 0, 0.0 -1,-0.1 0.755 82.6 60.7 -58.6 -26.8 7.0 39.3 41.0 268 112 B E T 3 S+ 0 0 113 2,-0.1 2,-0.8 -29,-0.0 -5,-0.1 0.391 83.8 88.8 -83.6 4.1 6.0 37.8 44.4 269 113 B L S < S- 0 0 3 -3,-1.9 2,-0.6 -7,-0.2 -28,-0.2 -0.916 72.8-154.6-100.7 109.5 7.8 34.6 43.6 270 114 B E E - i 0 241A 12 -30,-2.5 -28,-2.9 -2,-0.8 2,-0.2 -0.779 7.1-134.9 -94.1 121.8 11.3 35.2 44.9 271 115 B S E - i 0 242A 3 -2,-0.6 -154,-0.5 -30,-0.2 2,-0.4 -0.471 23.0-175.5 -73.5 140.8 14.2 33.3 43.3 272 116 B V E - i 0 243A 0 -30,-3.0 -28,-2.1 -2,-0.2 2,-0.5 -0.996 11.1-151.6-138.7 129.7 16.7 31.8 45.7 273 117 B F E -Ei 115 244A 0 -158,-2.3 -158,-2.4 -2,-0.4 2,-0.3 -0.898 11.1-169.3-108.3 133.8 19.9 30.0 44.7 274 118 B L E - i 0 245A 0 -30,-2.5 -28,-2.2 -2,-0.5 -160,-0.1 -0.835 15.8-132.9-117.0 154.7 21.5 27.3 46.8 275 119 B M - 0 0 2 -162,-0.5 -28,-0.1 -2,-0.3 -162,-0.1 -0.933 18.9-135.1-112.9 129.9 24.9 25.6 46.4 276 120 B P - 0 0 5 0, 0.0 5,-0.1 0, 0.0 -103,-0.1 -0.107 35.5 -82.1 -71.8 174.4 25.3 21.8 46.5 277 121 B S > - 0 0 23 1,-0.1 3,-0.8 -104,-0.1 4,-0.3 -0.282 42.7-107.3 -70.8 164.6 28.1 20.0 48.4 278 122 B K G > S+ 0 0 152 1,-0.2 3,-1.3 2,-0.2 4,-0.2 0.865 118.5 66.8 -61.3 -33.3 31.4 19.7 46.7 279 123 B E G 3 S+ 0 0 108 1,-0.3 3,-0.2 2,-0.1 -1,-0.2 0.828 111.7 30.0 -56.8 -36.4 30.6 16.0 46.2 280 124 B W G X S+ 0 0 26 -3,-0.8 3,-0.8 1,-0.1 -1,-0.3 0.185 87.9 105.4-110.6 16.8 27.7 16.8 43.8 281 125 B S T < S+ 0 0 17 -3,-1.3 -1,-0.1 -4,-0.3 -2,-0.1 0.564 85.3 41.1 -75.6 -4.4 29.1 20.0 42.3 282 126 B F T 3 S+ 0 0 169 -3,-0.2 2,-0.3 -4,-0.2 -1,-0.2 0.306 92.8 94.4-125.6 10.5 30.0 18.4 39.0 283 127 B I < + 0 0 15 -3,-0.8 2,-0.3 4,-0.1 3,-0.1 -0.689 40.6 173.4-106.9 159.7 27.2 16.0 38.1 284 128 B S > - 0 0 31 -2,-0.3 4,-2.4 1,-0.1 5,-0.2 -0.972 44.9-109.4-153.6 158.5 24.1 16.5 35.9 285 129 B S H > S+ 0 0 19 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.914 118.8 54.4 -58.1 -43.4 21.3 14.3 34.6 286 130 B S H > S+ 0 0 78 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.907 109.6 45.6 -57.3 -46.0 22.8 14.6 31.1 287 131 B L H > S+ 0 0 81 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.928 112.3 50.2 -65.6 -45.9 26.2 13.3 32.2 288 132 B V H X S+ 0 0 6 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.913 111.3 49.6 -59.8 -43.1 24.8 10.4 34.3 289 133 B K H X S+ 0 0 35 -4,-2.5 4,-2.4 -5,-0.2 -1,-0.2 0.914 109.0 51.7 -63.2 -42.8 22.7 9.3 31.3 290 134 B E H X S+ 0 0 103 -4,-2.2 4,-0.5 2,-0.2 -1,-0.2 0.916 112.5 45.7 -60.7 -43.3 25.6 9.4 28.9 291 135 B V H ><>S+ 0 0 53 -4,-2.3 5,-2.6 1,-0.2 3,-1.2 0.925 113.0 50.3 -65.0 -44.0 27.7 7.3 31.3 292 136 B A H ><5S+ 0 0 9 -4,-2.6 3,-2.2 1,-0.3 -2,-0.2 0.841 100.0 63.4 -63.4 -34.2 24.8 4.9 31.8 293 137 B R H 3<5S+ 0 0 115 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.733 108.2 44.6 -63.1 -18.8 24.3 4.6 28.0 294 138 B H T <<5S- 0 0 134 -3,-1.2 -1,-0.3 -4,-0.5 -2,-0.2 0.096 121.8-107.9-111.5 21.0 27.7 3.0 28.0 295 139 B Q T < 5 + 0 0 123 -3,-2.2 -3,-0.2 1,-0.2 -2,-0.1 0.652 64.0 158.2 63.1 20.0 27.1 0.8 31.1 296 140 B G < - 0 0 28 -5,-2.6 2,-0.8 -6,-0.1 -1,-0.2 -0.417 51.7 -97.7 -73.5 151.5 29.3 2.9 33.3 297 141 B D + 0 0 117 1,-0.2 3,-0.2 -2,-0.1 -1,-0.1 -0.580 51.7 158.2 -75.2 108.6 28.8 2.6 37.1 298 142 B V >> + 0 0 5 -2,-0.8 3,-1.4 1,-0.1 4,-0.6 0.177 36.7 113.7-113.8 15.2 26.6 5.6 38.2 299 143 B T G >4 S+ 0 0 68 1,-0.3 3,-0.9 2,-0.2 -1,-0.1 0.857 72.4 61.6 -54.2 -36.5 25.4 4.0 41.5 300 144 B H G 34 S+ 0 0 96 1,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.767 105.7 44.8 -63.0 -26.8 27.3 6.7 43.4 301 145 B F G <4 S+ 0 0 62 -3,-1.4 -129,-2.8 2,-0.1 -128,-0.4 0.462 106.3 61.0-100.2 -1.3 25.3 9.6 41.9 302 146 B L S << S- 0 0 8 -3,-0.9 -131,-0.1 -4,-0.6 5,-0.0 -0.929 83.8-101.0-132.7 152.6 21.8 8.4 42.1 303 147 B P >> - 0 0 18 0, 0.0 4,-2.2 0, 0.0 3,-0.7 -0.353 46.7-109.0 -62.5 148.3 19.1 7.3 44.7 304 148 B E H 3> S+ 0 0 157 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.904 118.1 49.2 -46.3 -53.6 18.9 3.6 44.8 305 149 B N H 3> S+ 0 0 36 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.832 111.4 50.5 -58.5 -34.0 15.4 3.4 43.1 306 150 B V H <> S+ 0 0 0 -3,-0.7 4,-2.3 2,-0.2 -1,-0.2 0.882 107.5 51.7 -72.9 -40.0 16.6 5.8 40.3 307 151 B H H X S+ 0 0 38 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.935 110.8 49.5 -61.6 -44.6 19.7 3.8 39.5 308 152 B Q H X S+ 0 0 107 -4,-2.2 4,-2.4 -5,-0.2 -2,-0.2 0.947 111.5 48.1 -57.5 -51.7 17.6 0.6 39.2 309 153 B A H X S+ 0 0 29 -4,-2.0 4,-2.6 1,-0.2 -1,-0.2 0.854 112.1 49.6 -58.4 -38.3 15.1 2.4 36.9 310 154 B L H X S+ 0 0 3 -4,-2.3 4,-1.8 2,-0.2 -1,-0.2 0.895 108.4 53.2 -68.9 -40.7 17.9 3.7 34.8 311 155 B M H < S+ 0 0 95 -4,-2.5 3,-0.3 1,-0.2 -2,-0.2 0.956 113.8 42.9 -55.2 -53.4 19.5 0.2 34.5 312 156 B A H < S+ 0 0 83 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.904 108.1 58.7 -58.5 -50.1 16.2 -1.2 33.3 313 157 B K H < S+ 0 0 96 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.843 108.7 51.4 -51.6 -38.9 15.5 1.7 30.9 314 158 B L < 0 0 43 -4,-1.8 -21,-0.1 -3,-0.3 -22,-0.0 -0.480 360.0 360.0 -97.3 171.1 18.8 1.0 29.1 315 159 B A 0 0 137 -2,-0.2 -3,-0.1 -22,-0.1 -4,-0.1 -0.385 360.0 360.0 -94.1 360.0 20.1 -2.3 27.7