==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 19-NOV-01 1GQ3 . COMPND 2 MOLECULE: ASPARTATE CARBAMOYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR P.T.BEERNINK,J.A.ENDRIZZI,T.ALBER,H.K.SCHACHMAN . 885 7 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 33142.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 636 71.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 129 14.6 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 . 1 0.1 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 . 60 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 131 14.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 273 30.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 0.7 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 0 0 0 3 3 5 2 0 3 0 3 3 0 0 0 3 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 9 0 6 4 11 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 0 3 3 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 1 A A 0 0 155 0, 0.0 295,-0.1 0, 0.0 294,-0.1 0.000 360.0 360.0 360.0 164.4 -16.8 23.5 31.4 2 2 A N > - 0 0 16 293,-0.3 3,-1.9 1,-0.1 294,-0.0 -0.840 360.0-156.1-102.5 111.0 -14.1 24.3 28.8 3 3 A P T 3 S+ 0 0 66 0, 0.0 -1,-0.1 0, 0.0 16,-0.1 0.649 91.0 53.9 -54.5 -24.2 -13.6 21.7 26.2 4 4 A L T > S+ 0 0 4 291,-0.1 3,-2.4 290,-0.1 291,-0.1 0.506 73.9 132.6 -94.9 -4.1 -10.0 22.7 25.4 5 5 A Y T < S- 0 0 84 -3,-1.9 287,-0.2 1,-0.3 288,-0.2 -0.261 87.2 -9.2 -54.0 125.3 -8.8 22.6 29.0 6 6 A Q T 3 S+ 0 0 93 286,-2.7 2,-0.3 1,-0.2 -1,-0.3 0.515 101.2 146.3 62.7 10.1 -5.4 20.7 29.1 7 7 A K < - 0 0 114 -3,-2.4 -1,-0.2 284,-0.1 2,-0.2 -0.568 50.6-124.3 -79.7 136.4 -5.9 19.7 25.5 8 8 A H - 0 0 51 -2,-0.3 2,-0.5 108,-0.1 110,-0.2 -0.518 17.3-153.8 -73.7 143.4 -3.0 19.3 23.2 9 9 A I B +a 118 0A 2 108,-2.9 110,-3.2 -2,-0.2 3,-0.1 -0.829 40.3 138.7-125.6 87.2 -3.3 21.4 20.0 10 10 A I + 0 0 14 -2,-0.5 2,-0.4 1,-0.3 -1,-0.1 0.806 65.7 20.8 -96.5 -42.5 -1.3 19.7 17.4 11 11 A S > - 0 0 36 -3,-0.2 3,-1.4 112,-0.1 -1,-0.3 -0.983 63.5-128.2-137.9 150.1 -3.5 20.1 14.4 12 12 A I G > S+ 0 0 10 -2,-0.4 3,-1.1 1,-0.3 -1,-0.1 0.868 111.0 55.8 -55.0 -42.7 -6.3 22.2 13.2 13 13 A N G 3 S+ 0 0 76 1,-0.3 -1,-0.3 -3,-0.1 0, 0.0 0.597 86.8 77.4 -71.0 -11.5 -8.4 19.1 12.3 14 14 A D G < S+ 0 0 59 -3,-1.4 2,-0.5 2,-0.0 -1,-0.3 0.309 85.0 93.7 -79.5 13.2 -8.0 17.9 15.9 15 15 A L S < S- 0 0 6 -3,-1.1 -6,-0.0 -6,-0.0 -3,-0.0 -0.931 71.9-137.8-116.4 127.9 -10.7 20.6 16.4 16 16 A S > - 0 0 47 -2,-0.5 4,-2.6 1,-0.1 5,-0.2 -0.213 32.7-109.4 -68.5 161.9 -14.5 20.2 16.5 17 17 A R H > S+ 0 0 116 1,-0.2 4,-1.8 2,-0.2 -1,-0.1 0.831 124.9 48.1 -63.8 -27.9 -16.6 22.8 14.7 18 18 A D H > S+ 0 0 113 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.769 108.1 53.1 -78.3 -33.3 -17.6 23.9 18.2 19 19 A D H > S+ 0 0 31 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.888 110.2 48.5 -68.6 -39.2 -14.1 23.9 19.4 20 20 A L H X S+ 0 0 7 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.953 112.5 49.3 -60.9 -49.5 -13.3 26.2 16.5 21 21 A N H X S+ 0 0 46 -4,-1.8 4,-2.5 1,-0.2 -2,-0.2 0.863 108.8 51.4 -55.1 -47.9 -16.2 28.3 17.4 22 22 A L H X S+ 0 0 52 -4,-2.7 4,-2.2 2,-0.2 -1,-0.2 0.909 110.8 48.8 -58.7 -46.5 -15.2 28.5 21.1 23 23 A V H X S+ 0 0 2 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.936 112.8 46.7 -60.8 -48.9 -11.7 29.7 20.1 24 24 A L H X S+ 0 0 6 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.906 112.3 49.5 -62.4 -42.2 -13.0 32.3 17.7 25 25 A A H X S+ 0 0 63 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.887 113.6 47.7 -64.1 -37.4 -15.5 33.6 20.1 26 26 A T H X S+ 0 0 29 -4,-2.2 4,-2.4 -5,-0.2 -2,-0.2 0.876 108.6 53.7 -72.5 -37.5 -12.8 33.8 22.7 27 27 A A H X S+ 0 0 1 -4,-2.8 4,-2.6 2,-0.2 -2,-0.2 0.953 110.5 47.9 -58.9 -48.4 -10.4 35.5 20.4 28 28 A A H X S+ 0 0 49 -4,-2.7 4,-2.5 1,-0.2 5,-0.2 0.932 112.0 48.4 -58.9 -49.6 -13.1 38.2 19.7 29 29 A K H X S+ 0 0 109 -4,-2.1 4,-2.8 1,-0.2 -1,-0.2 0.891 113.2 47.3 -59.6 -41.9 -13.8 38.7 23.3 30 30 A L H < S+ 0 0 5 -4,-2.4 -1,-0.2 2,-0.2 -2,-0.2 0.884 111.2 51.6 -69.2 -37.7 -10.1 39.0 24.2 31 31 A K H < S+ 0 0 66 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.962 118.1 37.6 -60.6 -51.0 -9.5 41.4 21.4 32 32 A A H < S+ 0 0 87 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.831 131.8 25.4 -70.2 -37.4 -12.4 43.6 22.4 33 33 A N S < S- 0 0 93 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.1 -0.736 82.1-145.3-137.4 88.8 -11.8 43.3 26.2 34 34 A P - 0 0 80 0, 0.0 -3,-0.1 0, 0.0 -4,-0.1 -0.173 6.6-160.0 -57.3 140.1 -8.3 42.4 27.3 35 35 A Q > + 0 0 68 30,-0.1 3,-2.1 1,-0.1 4,-0.3 -0.695 15.6 175.4-120.1 69.7 -7.8 40.2 30.4 36 36 A P T 3 S+ 0 0 41 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.534 77.0 44.5 -58.5 -10.5 -4.2 41.1 31.3 37 37 A E T > S+ 0 0 77 1,-0.1 3,-1.2 2,-0.1 4,-0.2 0.207 77.3 111.1-120.4 16.2 -4.1 39.0 34.5 38 38 A L T < S+ 0 0 52 -3,-2.1 3,-0.2 1,-0.3 29,-0.2 0.886 91.6 26.2 -54.4 -47.5 -5.8 35.8 33.1 39 39 A L T > S+ 0 0 0 27,-4.2 3,-2.3 -4,-0.3 30,-0.3 0.020 81.0 140.3-109.5 27.6 -2.6 33.7 33.3 40 40 A K T < S+ 0 0 96 -3,-1.2 -1,-0.2 26,-0.3 -2,-0.1 0.808 74.3 38.3 -40.4 -49.0 -0.9 35.6 36.1 41 41 A H T 3 S+ 0 0 100 -4,-0.2 2,-0.4 -3,-0.2 -1,-0.3 -0.006 96.1 105.9-101.1 38.2 0.5 32.6 37.9 42 42 A K < - 0 0 56 -3,-2.3 27,-2.9 25,-0.1 2,-0.4 -0.922 51.6-156.2-117.3 144.0 1.4 30.5 34.8 43 43 A V E -b 69 0A 3 -2,-0.4 50,-2.7 25,-0.2 51,-0.7 -0.959 16.8-163.3-113.8 130.8 4.8 29.8 33.4 44 44 A I E -bc 70 94A 0 25,-2.2 27,-2.3 -2,-0.4 2,-0.4 -0.965 13.9-133.9-124.3 135.1 4.9 28.9 29.7 45 45 A A E -bc 71 95A 0 49,-2.6 51,-2.5 -2,-0.4 2,-0.7 -0.697 9.5-164.5 -87.9 133.7 7.6 27.3 27.6 46 46 A S E -bc 72 96A 0 25,-2.7 27,-1.8 -2,-0.4 2,-1.0 -0.868 16.7-177.9-113.4 87.2 8.4 28.8 24.3 47 47 A C E +bc 73 97A 0 49,-3.4 51,-2.1 -2,-0.7 2,-1.1 -0.734 9.2 175.4 -99.7 91.7 10.4 26.0 22.7 48 48 A F E + c 0 98A 0 25,-3.3 51,-0.1 -2,-1.0 49,-0.1 -0.713 9.7 166.1 -98.3 87.4 11.7 26.9 19.3 49 49 A F S S+ 0 0 29 49,-2.0 27,-1.6 -2,-1.1 2,-0.5 0.898 82.3 39.0 -61.6 -40.4 13.8 24.0 18.1 50 50 A E S S- 0 0 55 48,-0.9 2,-0.3 -3,-0.2 -1,-0.1 -0.929 104.6-112.4-107.5 129.6 13.6 25.6 14.7 51 51 A A + 0 0 24 -2,-0.5 24,-0.1 324,-0.1 2,-0.1 -0.494 42.4 165.7 -68.2 129.5 13.8 29.4 14.7 52 52 A S > - 0 0 25 22,-0.4 4,-3.1 -2,-0.3 5,-0.2 -0.599 9.9-179.6-143.0 67.2 10.5 30.9 13.7 53 53 A T H > S+ 0 0 16 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.858 74.9 45.8 -36.7 -66.1 11.0 34.5 14.7 54 54 A R H > S+ 0 0 65 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.918 117.8 43.4 -48.8 -54.0 7.7 36.0 13.7 55 55 A T H > S+ 0 0 10 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.904 112.1 53.3 -62.5 -45.0 5.6 33.1 15.1 56 56 A R H X S+ 0 0 12 -4,-3.1 4,-2.9 1,-0.2 5,-0.2 0.926 109.1 48.5 -57.9 -45.5 7.6 33.0 18.3 57 57 A L H X S+ 0 0 1 -4,-2.7 4,-2.9 -5,-0.2 5,-0.2 0.897 110.5 51.4 -62.8 -40.7 7.1 36.7 19.0 58 58 A S H X S+ 0 0 0 -4,-1.9 4,-3.0 -5,-0.2 -1,-0.2 0.962 113.4 43.7 -59.6 -52.6 3.4 36.5 18.4 59 59 A F H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.900 115.6 47.8 -58.2 -49.5 3.0 33.6 20.8 60 60 A E H X S+ 0 0 22 -4,-2.9 4,-2.4 2,-0.2 -1,-0.2 0.866 112.2 49.5 -62.5 -38.4 5.3 35.1 23.4 61 61 A T H X S+ 0 0 0 -4,-2.9 4,-2.8 -5,-0.2 5,-0.2 0.962 109.3 52.8 -63.1 -49.1 3.5 38.5 23.1 62 62 A S H X S+ 0 0 0 -4,-3.0 4,-0.7 1,-0.2 -2,-0.2 0.893 109.1 50.1 -52.3 -42.9 0.2 36.7 23.5 63 63 A M H ><>S+ 0 0 0 -4,-2.2 5,-1.5 1,-0.2 3,-1.4 0.954 111.3 47.5 -62.2 -48.0 1.5 35.0 26.6 64 64 A H H ><5S+ 0 0 32 -4,-2.4 3,-1.1 1,-0.3 -2,-0.2 0.865 104.4 61.0 -62.6 -33.6 2.6 38.3 28.1 65 65 A R H 3<5S+ 0 0 60 -4,-2.8 -1,-0.3 1,-0.2 -27,-0.2 0.701 105.6 48.7 -65.5 -19.5 -0.7 39.9 27.2 66 66 A L T <<5S- 0 0 0 -3,-1.4 -27,-4.2 -4,-0.7 -26,-0.3 0.453 121.0-104.2-101.9 -0.5 -2.4 37.4 29.5 67 67 A G T < 5S+ 0 0 22 -3,-1.1 -3,-0.2 -4,-0.5 -25,-0.1 0.336 72.6 140.4 100.2 -6.6 -0.1 37.9 32.4 68 68 A A < - 0 0 4 -5,-1.5 -1,-0.3 -6,-0.2 2,-0.2 -0.305 48.6-125.0 -73.7 155.4 2.0 34.7 32.1 69 69 A S E -b 43 0A 29 -27,-2.9 -25,-2.2 -30,-0.3 2,-0.4 -0.588 26.1-143.3 -92.2 156.8 5.7 34.3 32.5 70 70 A V E +b 44 0A 20 -27,-0.2 2,-0.3 -2,-0.2 -25,-0.2 -0.986 22.6 169.9-135.3 137.7 7.8 32.8 29.8 71 71 A V E +b 45 0A 3 -27,-2.3 -25,-2.7 -2,-0.4 2,-0.3 -0.908 31.4 94.2-132.4 155.0 10.8 30.5 29.6 72 72 A G E -b 46 0A 16 -2,-0.3 2,-0.3 -27,-0.2 -25,-0.2 -0.983 58.4 -89.5 159.5-170.0 12.3 28.9 26.5 73 73 A F E -b 47 0A 26 -27,-1.8 -25,-3.3 -2,-0.3 3,-0.1 -0.977 15.8-152.5-143.7 143.2 14.8 28.9 23.6 74 74 A S S S+ 0 0 24 -2,-0.3 -22,-0.4 1,-0.3 2,-0.3 0.426 75.3 4.7-101.1 -1.1 14.3 30.4 20.2 75 75 A D 0 0 62 -24,-0.1 -1,-0.3 1,-0.1 -25,-0.2 -0.904 360.0 360.0-177.4 152.1 16.6 28.1 18.2 76 76 A S 0 0 129 -27,-1.6 -1,-0.1 -2,-0.3 -26,-0.1 0.830 360.0 360.0 -84.1 360.0 18.7 25.0 18.4 77 ! 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 78 85 A G > 0 0 54 0, 0.0 4,-1.6 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 -38.4 14.0 12.0 19.0 79 86 A E H > + 0 0 157 2,-0.2 4,-1.7 3,-0.1 5,-0.1 0.830 360.0 41.9 -79.3 -40.6 15.5 10.4 22.1 80 87 A T H > S+ 0 0 93 2,-0.2 4,-3.7 1,-0.2 5,-0.3 0.929 110.0 59.5 -70.6 -44.6 16.6 13.7 23.4 81 88 A L H > S+ 0 0 9 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.922 105.2 48.8 -50.4 -48.5 13.4 15.2 22.3 82 89 A A H X S+ 0 0 9 -4,-1.6 4,-3.0 1,-0.2 -1,-0.2 0.951 115.6 42.7 -55.5 -53.3 11.4 12.8 24.5 83 90 A D H X S+ 0 0 21 -4,-1.7 4,-3.8 2,-0.2 5,-0.2 0.916 111.6 55.2 -60.6 -44.9 13.6 13.6 27.5 84 91 A T H X S+ 0 0 43 -4,-3.7 4,-3.1 1,-0.2 5,-0.3 0.957 113.4 41.0 -53.1 -53.4 13.7 17.3 26.8 85 92 A I H X S+ 0 0 0 -4,-2.7 4,-2.8 -5,-0.3 -1,-0.2 0.936 113.3 55.0 -61.1 -44.9 10.0 17.4 26.8 86 93 A S H < S+ 0 0 14 -4,-3.0 4,-0.3 -5,-0.3 -2,-0.2 0.946 113.2 41.6 -55.0 -48.6 9.9 15.1 29.8 87 94 A V H >< S+ 0 0 9 -4,-3.8 3,-1.6 1,-0.2 -2,-0.2 0.945 115.2 48.3 -64.9 -49.4 12.1 17.4 31.8 88 95 A I H >X S+ 0 0 4 -4,-3.1 3,-2.6 1,-0.3 4,-1.8 0.883 101.9 64.4 -61.6 -37.0 10.5 20.7 30.7 89 96 A S T 3< S+ 0 0 19 -4,-2.8 -1,-0.3 -5,-0.3 -2,-0.2 0.652 94.5 59.8 -63.8 -11.5 7.1 19.4 31.5 90 97 A T T <4 S+ 0 0 47 -3,-1.6 -1,-0.3 -4,-0.3 -2,-0.2 0.471 111.5 42.5 -92.6 2.3 8.0 19.2 35.1 91 98 A Y T <4 S+ 0 0 10 -3,-2.6 -2,-0.2 -4,-0.1 2,-0.2 0.759 108.8 48.1-107.4 -48.8 8.7 22.9 35.1 92 99 A V < - 0 0 7 -4,-1.8 -48,-0.2 1,-0.1 3,-0.1 -0.500 63.3-131.0-106.2 172.4 5.9 24.6 33.1 93 100 A D S S+ 0 0 48 -50,-2.7 2,-0.3 1,-0.3 -49,-0.2 0.640 91.8 4.1 -91.1 -23.8 2.2 24.9 32.7 94 101 A A E -c 44 0A 0 -51,-0.7 -49,-2.6 21,-0.2 2,-0.5 -0.973 64.2-135.3-159.9 154.6 2.2 24.5 29.0 95 102 A I E -cd 45 117A 0 21,-2.6 23,-3.6 -2,-0.3 2,-0.6 -0.982 11.6-171.5-121.0 124.4 4.6 23.9 26.1 96 103 A V E +cd 46 118A 0 -51,-2.5 -49,-3.4 -2,-0.5 2,-0.4 -0.958 24.4 174.0-110.1 119.4 4.6 25.9 22.9 97 104 A M E -cd 47 119A 0 21,-2.6 23,-3.8 -2,-0.6 24,-0.5 -0.976 29.4-168.0-136.5 153.7 6.9 24.3 20.4 98 105 A A E +c 48 0A 0 -51,-2.1 -49,-2.0 -2,-0.4 -48,-0.9 -0.995 19.1 173.3-131.9 132.6 8.1 24.5 16.8 99 106 A H - 0 0 36 22,-2.1 6,-0.2 -2,-0.4 4,-0.1 -0.989 32.2-142.3-147.8 134.2 10.2 21.7 15.4 100 107 A P S S+ 0 0 82 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.729 79.2 84.0 -68.6 -27.2 11.4 21.0 11.9 101 108 A Q S > S- 0 0 140 1,-0.1 3,-1.4 2,-0.0 4,-0.3 -0.638 85.6-112.6 -84.8 132.9 11.0 17.2 12.0 102 109 A E T 3 S+ 0 0 193 -2,-0.4 -1,-0.1 1,-0.2 0, 0.0 -0.353 98.2 17.9 -68.8 138.5 7.6 15.7 11.3 103 110 A G T 3> S+ 0 0 48 -4,-0.1 4,-3.1 -2,-0.1 5,-0.3 0.136 88.3 119.2 89.6 -17.2 5.6 14.1 14.1 104 111 A A H <> S+ 0 0 7 -3,-1.4 4,-2.2 1,-0.3 -2,-0.1 0.866 75.5 47.4 -43.8 -47.9 7.9 15.8 16.6 105 112 A A H > S+ 0 0 10 -4,-0.3 4,-1.6 2,-0.2 -1,-0.3 0.895 111.6 48.7 -66.4 -41.7 4.9 17.6 18.1 106 113 A R H > S+ 0 0 118 -3,-0.2 4,-0.6 1,-0.2 -2,-0.2 0.927 111.3 50.9 -63.5 -42.2 2.8 14.5 18.3 107 114 A L H >X S+ 0 0 48 -4,-3.1 3,-1.5 1,-0.2 4,-0.6 0.889 103.6 59.4 -60.0 -41.8 5.7 12.7 20.0 108 115 A A H >X S+ 0 0 0 -4,-2.2 3,-1.7 1,-0.3 4,-0.8 0.901 97.2 60.5 -55.2 -42.2 6.1 15.4 22.5 109 116 A T H 3< S+ 0 0 25 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.736 97.5 60.7 -59.8 -22.1 2.5 14.8 23.6 110 117 A E H << S+ 0 0 137 -3,-1.5 -1,-0.3 -4,-0.6 -2,-0.2 0.704 113.7 33.4 -78.5 -17.9 3.5 11.3 24.6 111 118 A F H << S+ 0 0 76 -3,-1.7 -2,-0.2 -4,-0.6 -1,-0.2 0.377 95.5 84.3-117.2 3.8 6.1 12.5 27.1 112 119 A S S >< S- 0 0 1 -4,-0.8 3,-2.1 1,-0.3 2,-0.2 0.439 71.6-157.8 -90.7 1.9 4.6 15.7 28.4 113 120 A G T 3 S- 0 0 63 1,-0.3 -1,-0.3 -4,-0.2 -23,-0.0 -0.404 71.3 -14.2 62.6-126.9 2.4 14.1 31.1 114 121 A N T 3 S+ 0 0 125 -2,-0.2 -1,-0.3 -25,-0.1 -2,-0.0 0.297 110.3 108.5 -92.3 8.4 -0.4 16.4 32.0 115 122 A V S < S- 0 0 7 -3,-2.1 -21,-0.2 -21,-0.1 -3,-0.1 -0.787 70.1-127.4 -91.5 119.8 1.2 19.4 30.3 116 123 A P - 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0 0 4 -5,-2.2 -1,-0.3 -6,-0.2 2,-0.2 -0.504 48.0-122.6 -87.9 161.2 6.8 46.0 31.2 365 69 B S E -l 339 0D 29 -27,-3.2 -25,-2.7 -30,-0.3 2,-0.4 -0.648 23.5-145.4 -96.3 156.9 7.1 42.7 29.4 366 70 B V E +l 340 0D 19 -2,-0.2 2,-0.3 -27,-0.2 -25,-0.2 -0.944 20.6 169.5-128.8 146.2 9.7 41.9 26.9 367 71 B V E +l 341 0D 4 -27,-1.6 -25,-2.9 -2,-0.4 2,-0.3 -0.972 30.7 94.1-143.2 150.1 9.9 39.9 23.7 368 72 B G E -l 342 0D 18 -2,-0.3 2,-0.3 -27,-0.2 -25,-0.2 -0.991 59.0 -81.4 161.5-168.2 12.7 39.7 21.2 369 73 B F E -l 343 0D 11 -27,-1.2 -25,-2.3 -2,-0.3 3,-0.1 -0.965 16.2-147.8-135.0 147.1 15.9 38.2 19.8 370 74 B S S S+ 0 0 19 -2,-0.3 2,-0.3 1,-0.3 -22,-0.2 0.486 82.4 8.7 -95.9 -4.7 19.4 38.7 20.9 371 75 B D - 0 0 40 -24,-0.1 -1,-0.3 1,-0.1 3,-0.3 -0.902 61.2-131.5-173.0 141.9 21.1 38.2 17.5 372 76 B S S > S+ 0 0 48 -27,-1.5 3,-2.3 -2,-0.3 -27,-0.1 0.832 99.4 70.8 -71.7 -31.2 20.0 37.9 13.9 373 77 B A T 3 S+ 0 0 86 -28,-0.3 -1,-0.2 1,-0.3 -28,-0.1 0.926 99.1 49.4 -47.1 -50.2 22.1 34.9 13.1 374 78 B N T 3 S+ 0 0 31 -3,-0.3 -1,-0.3 2,-0.1 -2,-0.2 0.354 100.3 88.9 -73.8 1.4 19.8 32.8 15.3 375 79 B T < 0 0 41 -3,-2.3 -324,-0.1 -324,-0.1 -3,-0.0 -0.398 360.0 360.0 -99.9 179.3 16.6 34.0 13.7 376 80 B S 0 0 99 -2,-0.1 -322,-0.2 -326,-0.1 -2,-0.1 -0.620 360.0 360.0 -86.3 360.0 14.4 33.0 10.8 377 ! 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 0.0 378 88 B L > 0 0 67 0, 0.0 4,-3.5 0, 0.0 5,-0.3 0.000 360.0 360.0 360.0 -56.3 13.3 44.4 7.6 379 89 B A H > + 0 0 30 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.871 360.0 39.5 -52.0 -52.4 10.3 46.3 6.4 380 90 B D H > S+ 0 0 52 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.902 115.5 54.0 -70.2 -36.5 7.8 43.4 6.7 381 91 B T H > S+ 0 0 47 1,-0.2 4,-2.5 2,-0.2 5,-0.3 0.959 112.6 42.8 -59.4 -50.1 9.4 42.3 9.9 382 92 B I H X S+ 0 0 0 -4,-3.5 4,-2.1 1,-0.2 -1,-0.2 0.877 111.7 56.3 -63.6 -36.3 9.0 45.8 11.4 383 93 B S H < S+ 0 0 15 -4,-2.2 4,-0.3 -5,-0.3 -1,-0.2 0.920 111.8 41.3 -63.8 -42.0 5.5 46.0 10.0 384 94 B V H >X S+ 0 0 0 -4,-2.5 3,-2.8 2,-0.2 4,-0.6 0.977 113.1 51.0 -70.4 -53.9 4.4 42.8 11.7 385 95 B I H >X S+ 0 0 3 -4,-2.5 3,-3.0 1,-0.3 4,-2.1 0.906 102.1 62.2 -49.9 -44.6 6.1 43.3 15.1 386 96 B S H 3< S+ 0 0 21 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.689 97.1 59.7 -59.1 -14.5 4.5 46.7 15.3 387 97 B T H <4 S+ 0 0 51 -3,-2.8 -1,-0.3 -4,-0.3 -2,-0.2 0.668 113.6 37.6 -85.2 -14.8 1.3 44.9 15.3 388 98 B Y H << S+ 0 0 10 -3,-3.0 -2,-0.2 -4,-0.6 2,-0.1 0.874 108.7 52.9 -96.2 -53.2 2.3 43.1 18.4 389 99 B V < - 0 0 6 -4,-2.1 -49,-0.2 1,-0.1 3,-0.1 -0.408 62.1-134.9 -94.1 169.5 4.3 45.5 20.7 390 100 B D S S+ 0 0 45 -51,-3.8 2,-0.3 1,-0.3 -50,-0.2 0.673 91.4 3.5 -92.5 -21.9 4.0 48.9 22.3 391 101 B A E -m 340 0D 0 -52,-0.7 -50,-2.9 21,-0.2 2,-0.6 -0.983 65.3-134.3-161.3 153.7 7.5 50.0 21.4 392 102 B I E -mn 341 414D 0 21,-3.3 23,-3.2 -2,-0.3 2,-0.6 -0.945 11.0-170.3-121.4 118.3 10.4 48.7 19.5 393 103 B V E -mn 342 415D 0 -52,-3.4 -50,-3.2 -2,-0.6 2,-0.4 -0.890 25.0-177.5 -99.4 123.8 13.9 48.9 20.8 394 104 B M E -mn 343 416D 0 21,-3.0 23,-2.9 -2,-0.6 24,-0.5 -0.975 29.3-174.3-139.0 142.1 16.3 48.0 18.1 395 105 B A E +m 344 0D 0 -52,-2.7 -50,-1.9 -2,-0.4 -49,-1.6 -0.987 19.5 177.1-122.4 127.1 20.0 47.4 17.3 396 106 B H - 0 0 27 22,-1.8 5,-0.2 -2,-0.4 6,-0.1 -0.991 35.7-128.7-134.2 141.6 21.0 46.7 13.7 397 107 B P S S+ 0 0 64 0, 0.0 2,-0.5 0, 0.0 22,-0.1 0.751 89.7 72.1 -60.5 -28.9 24.3 46.2 12.0 398 108 B Q S > S- 0 0 139 20,-0.1 3,-2.0 1,-0.0 4,-0.3 -0.794 86.9-118.7 -98.1 135.9 23.7 48.8 9.3 399 109 B E T 3 S+ 0 0 93 -2,-0.5 -1,-0.0 1,-0.3 20,-0.0 -0.391 103.4 31.3 -62.8 135.7 23.6 52.5 9.9 400 110 B G T 3> S+ 0 0 51 -4,-0.1 4,-2.6 -2,-0.1 -1,-0.3 0.247 83.0 117.1 98.2 -12.6 20.2 53.8 9.1 401 111 B A H <> S+ 0 0 8 -3,-2.0 4,-2.0 1,-0.2 -2,-0.1 0.929 77.0 44.6 -53.0 -51.2 18.5 50.6 10.1 402 112 B A H > S+ 0 0 5 -4,-0.3 4,-1.4 2,-0.2 -1,-0.2 0.930 112.6 49.9 -61.3 -49.3 16.5 52.2 12.9 403 113 B R H >> S+ 0 0 113 1,-0.2 3,-0.7 2,-0.2 4,-0.7 0.951 110.3 51.0 -56.9 -47.3 15.4 55.3 10.9 404 114 B L H >X S+ 0 0 68 -4,-2.6 3,-2.1 1,-0.2 4,-0.5 0.936 104.7 58.8 -53.3 -45.3 14.2 53.2 8.1 405 115 B A H >X S+ 0 0 0 -4,-2.0 3,-1.0 1,-0.3 4,-0.7 0.791 92.8 65.0 -56.5 -34.4 12.2 51.1 10.5 406 116 B T H << S+ 0 0 28 -4,-1.4 3,-0.3 -3,-0.7 -1,-0.3 0.766 91.0 68.9 -61.6 -22.7 10.2 54.1 11.7 407 117 B E H << S+ 0 0 138 -3,-2.1 3,-0.3 -4,-0.7 -1,-0.3 0.908 111.9 27.6 -61.2 -38.9 9.0 54.1 8.1 408 118 B F H << S+ 0 0 67 -3,-1.0 -1,-0.2 -4,-0.5 -2,-0.2 0.349 95.4 87.9-108.1 8.2 7.1 50.9 8.8 409 119 B S S >< S- 0 0 0 -4,-0.7 3,-2.1 -3,-0.3 -1,-0.2 0.441 70.7-156.9 -87.3 2.6 6.3 50.9 12.5 410 120 B G T 3 S- 0 0 58 -3,-0.3 -1,-0.3 1,-0.3 -23,-0.0 -0.367 72.1 -14.8 59.8-132.3 3.1 52.8 12.1 411 121 B N T 3 S+ 0 0 134 -3,-0.1 -1,-0.3 -25,-0.1 -5,-0.0 0.214 112.1 110.1 -88.3 15.5 2.3 54.4 15.5 412 122 B V < - 0 0 10 -3,-2.1 2,-0.2 -6,-0.1 -21,-0.2 -0.817 69.8-124.4 -99.1 122.1 4.8 52.3 17.3 413 123 B P - 0 0 2 0, 0.0 -21,-3.3 0, 0.0 2,-0.5 -0.421 16.4-149.1 -68.7 136.2 7.8 54.1 18.5 414 124 B V E - n 0 392D 0 -23,-0.2 -109,-2.5 -2,-0.2 2,-0.5 -0.886 6.8-163.4-106.0 129.8 11.3 53.0 17.5 415 125 B L E -kn 305 393D 1 -23,-3.2 -21,-3.0 -2,-0.5 2,-0.4 -0.974 19.0-132.6-114.2 122.5 14.2 53.5 19.9 416 126 B N E + n 0 394D 33 -111,-2.4 10,-0.6 -2,-0.5 -21,-0.2 -0.590 24.2 178.1 -76.4 128.1 17.7 53.2 18.4 417 127 B A - 0 0 0 -23,-2.9 3,-0.3 1,-0.4 -22,-0.2 0.269 47.0-110.4-113.4 9.5 20.1 51.0 20.3 418 128 B G - 0 0 5 -24,-0.5 -22,-1.8 1,-0.1 -1,-0.4 -0.458 24.6 -76.8 102.6-173.2 23.0 51.3 17.9 419 129 B D S S- 0 0 63 4,-0.3 -1,-0.1 -24,-0.2 3,-0.1 -0.055 88.3 -71.1-121.4 21.6 25.0 49.3 15.4 420 130 B G S S+ 0 0 31 1,-0.5 2,-0.1 -3,-0.3 -69,-0.1 0.037 112.8 104.7 104.5 -21.8 27.2 47.4 17.9 421 131 B S S S- 0 0 34 2,-0.2 -1,-0.5 1,-0.1 -2,-0.1 -0.295 87.9-111.8 -83.2 168.7 29.0 50.6 18.7 422 132 B N S S+ 0 0 27 -3,-0.1 2,-1.0 -4,-0.1 6,-0.1 0.364 87.8 109.4 -82.3 7.1 28.6 52.8 21.8 423 133 B Q + 0 0 55 4,-0.1 -4,-0.3 3,-0.0 -2,-0.2 -0.743 46.1 99.2 -91.1 104.7 27.1 55.3 19.5 424 134 B H S >> S- 0 0 7 -2,-1.0 3,-1.5 1,-0.1 4,-1.5 -0.915 80.0 -90.8-177.6 152.8 23.4 55.7 20.1 425 135 B P H 3> S+ 0 0 2 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.836 118.1 48.9 -37.7 -62.6 21.0 57.8 21.9 426 136 B T H 3> S+ 0 0 1 -10,-0.6 4,-2.5 1,-0.2 5,-0.2 0.781 106.7 58.6 -57.8 -25.9 20.8 56.1 25.3 427 137 B Q H <> S+ 0 0 3 -3,-1.5 4,-2.6 2,-0.2 -1,-0.2 0.986 110.6 41.0 -64.4 -55.0 24.6 56.0 25.5 428 138 B T H X S+ 0 0 0 -4,-1.5 4,-3.2 1,-0.2 5,-0.3 0.943 114.5 53.2 -57.0 -45.8 24.9 59.8 25.2 429 139 B L H X S+ 0 0 0 -4,-2.7 4,-3.2 1,-0.2 5,-0.2 0.946 110.6 45.9 -55.8 -50.2 21.9 60.2 27.5 430 140 B L H X S+ 0 0 3 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.884 111.8 52.8 -62.2 -34.7 23.5 58.0 30.2 431 141 B D H X S+ 0 0 0 -4,-2.6 4,-1.8 -5,-0.2 -1,-0.2 0.938 112.3 44.4 -64.0 -44.1 26.7 59.9 29.7 432 142 B L H X S+ 0 0 0 -4,-3.2 4,-3.2 2,-0.2 5,-0.3 0.930 111.4 53.0 -64.1 -47.9 25.0 63.3 30.2 433 143 B F H X S+ 0 0 7 -4,-3.2 4,-2.3 -5,-0.3 -1,-0.2 0.880 110.7 48.6 -55.4 -38.2 23.0 62.0 33.2 434 144 B T H X S+ 0 0 0 -4,-2.0 4,-2.2 -5,-0.2 -1,-0.2 0.836 111.8 47.6 -72.0 -35.8 26.3 60.8 34.8 435 145 B I H X S+ 0 0 0 -4,-1.8 4,-3.1 2,-0.2 6,-0.5 0.943 114.4 46.4 -69.6 -47.7 28.0 64.1 34.2 436 146 B Q H X S+ 0 0 62 -4,-3.2 4,-2.0 1,-0.2 -2,-0.2 0.912 113.6 50.3 -58.8 -44.6 25.1 66.1 35.6 437 147 B E H < S+ 0 0 93 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.930 119.1 34.5 -61.3 -49.6 24.8 63.8 38.5 438 148 B T H < S+ 0 0 32 -4,-2.2 -2,-0.2 1,-0.2 -3,-0.2 0.931 127.9 34.9 -74.4 -44.7 28.4 63.9 39.5 439 149 B Q H < S- 0 0 17 -4,-3.1 -3,-0.2 2,-0.2 -2,-0.2 0.639 98.7-127.9 -83.6 -19.2 29.2 67.5 38.5 440 150 B G S < S+ 0 0 63 -4,-2.0 2,-0.3 -5,-0.4 -4,-0.2 0.372 81.5 39.8 83.9 -0.3 25.8 69.0 39.5 441 151 B R - 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