==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-AUG-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 22-MAR-11 3R7F . COMPND 2 MOLECULE: ASPARTATE CARBAMOYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR G.M.COCKRELL,K.M.HARRIS,D.E.PULEO,E.R.KANTROWITZ . 873 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 33614.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 623 71.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 132 15.1 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 . 3 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.3 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 . 72 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 98 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 273 31.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 1.8 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 4 0 5 1 0 0 3 6 0 0 6 0 0 0 0 3 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 12 3 4 5 7 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 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 3 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 M 0 0 139 0, 0.0 2,-1.7 0, 0.0 287,-0.1 0.000 360.0 360.0 360.0 135.9 -32.1 41.7 -0.8 2 2 A K + 0 0 99 286,-0.4 288,-0.1 285,-0.2 2,-0.0 -0.400 360.0 155.3 -91.1 63.9 -35.9 41.7 -0.6 3 3 A H - 0 0 17 -2,-1.7 2,-0.4 113,-0.1 115,-0.2 -0.275 35.4-141.9 -61.0 162.9 -36.5 40.8 3.1 4 4 A L B +a 118 0A 1 113,-2.4 115,-3.4 1,-0.1 125,-0.1 -0.866 44.0 138.6-133.9 108.9 -39.8 41.9 4.5 5 5 A T + 0 0 12 1,-0.4 2,-0.3 -2,-0.4 117,-0.1 0.762 65.1 6.3-114.4 -45.3 -39.3 43.0 8.1 6 6 A T > - 0 0 28 121,-0.1 3,-1.2 1,-0.1 -1,-0.4 -0.988 59.6-123.0-147.3 150.2 -41.4 46.2 8.7 7 7 A M G > S+ 0 0 3 -2,-0.3 3,-2.0 1,-0.2 -1,-0.1 0.827 106.6 71.5 -62.5 -30.3 -43.9 48.3 6.8 8 8 A S G 3 S+ 0 0 68 1,-0.3 -1,-0.2 -3,-0.0 156,-0.0 0.725 90.8 59.1 -57.1 -25.0 -41.6 51.4 7.3 9 9 A E G < S+ 0 0 76 -3,-1.2 2,-0.4 2,-0.1 -1,-0.3 0.502 92.3 81.8 -86.8 -6.6 -39.2 49.9 4.8 10 10 A L S < S- 0 0 1 -3,-2.0 2,-0.1 -4,-0.2 -6,-0.0 -0.843 74.3-137.0-100.4 137.6 -41.8 49.9 2.0 11 11 A S > - 0 0 49 -2,-0.4 4,-2.6 1,-0.1 5,-0.2 -0.479 30.3-108.2 -82.1 162.4 -42.6 53.0 -0.0 12 12 A T H > S+ 0 0 46 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.823 123.5 53.8 -61.9 -28.0 -46.2 53.7 -0.8 13 13 A E H > S+ 0 0 133 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.905 107.6 47.8 -71.7 -43.2 -45.4 52.7 -4.3 14 14 A E H > S+ 0 0 56 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.913 112.0 52.0 -60.5 -42.3 -44.0 49.4 -3.3 15 15 A I H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.945 110.0 47.6 -60.2 -47.3 -47.0 48.8 -1.1 16 16 A K H X S+ 0 0 83 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.849 110.2 52.6 -65.9 -34.1 -49.4 49.6 -4.0 17 17 A D H X S+ 0 0 89 -4,-2.1 4,-2.7 2,-0.2 -1,-0.2 0.904 109.2 49.7 -65.4 -41.6 -47.4 47.2 -6.3 18 18 A L H X S+ 0 0 10 -4,-2.3 4,-2.9 2,-0.2 5,-0.2 0.935 110.9 48.7 -63.3 -46.0 -47.7 44.4 -3.8 19 19 A L H X S+ 0 0 8 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.893 112.6 49.2 -60.1 -39.8 -51.5 44.9 -3.4 20 20 A Q H X S+ 0 0 98 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.928 111.6 47.5 -68.2 -44.5 -51.9 45.0 -7.2 21 21 A T H X S+ 0 0 39 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.943 112.4 50.2 -59.1 -46.6 -49.8 41.8 -7.6 22 22 A A H X S+ 0 0 0 -4,-2.9 4,-2.6 1,-0.2 -2,-0.2 0.893 108.9 52.2 -58.5 -41.0 -51.8 40.1 -4.9 23 23 A Q H X S+ 0 0 61 -4,-2.2 4,-1.5 2,-0.2 -1,-0.2 0.900 109.5 49.0 -65.0 -40.1 -55.1 41.2 -6.6 24 24 A E H <>S+ 0 0 65 -4,-2.2 5,-1.9 2,-0.2 -2,-0.2 0.924 111.6 48.9 -63.5 -43.9 -53.9 39.7 -9.9 25 25 A L H ><5S+ 0 0 7 -4,-2.6 3,-1.6 1,-0.2 -2,-0.2 0.892 108.4 54.1 -62.4 -40.4 -53.0 36.4 -8.1 26 26 A K H 3<5S+ 0 0 63 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.840 102.8 58.5 -58.5 -35.4 -56.4 36.4 -6.4 27 27 A S T 3<5S- 0 0 98 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.445 131.9 -91.3 -77.2 -2.3 -57.9 36.7 -9.9 28 28 A G T < 5S+ 0 0 52 -3,-1.6 -3,-0.2 1,-0.3 -2,-0.1 0.326 73.0 150.9 112.5 -6.6 -56.2 33.4 -10.9 29 29 A K < + 0 0 99 -5,-1.9 2,-0.3 1,-0.0 -1,-0.3 -0.349 20.2 167.7 -55.7 131.5 -52.9 34.6 -12.4 30 30 A T - 0 0 101 -2,-0.1 2,-0.3 31,-0.0 31,-0.1 -0.993 16.1-179.8-145.5 152.4 -50.2 32.0 -11.9 31 31 A D - 0 0 46 -2,-0.3 3,-0.3 1,-0.0 -2,-0.0 -0.959 30.8-129.3-146.2 170.4 -46.7 31.1 -13.1 32 32 A N > + 0 0 130 -2,-0.3 3,-1.3 1,-0.2 29,-0.0 0.213 69.8 113.5-103.9 13.8 -44.0 28.5 -12.7 33 33 A Q T 3 S+ 0 0 117 1,-0.3 -1,-0.2 3,-0.0 29,-0.1 0.783 85.4 37.3 -58.3 -30.2 -41.1 30.7 -11.9 34 34 A L T > S+ 0 0 4 27,-0.3 3,-2.3 -3,-0.3 -1,-0.3 0.385 81.9 138.1-105.3 3.0 -40.8 29.4 -8.3 35 35 A T T < S+ 0 0 77 -3,-1.3 28,-0.2 1,-0.3 27,-0.1 -0.233 76.9 9.0 -52.3 127.0 -41.6 25.8 -8.9 36 36 A G T 3 S+ 0 0 36 26,-2.9 -1,-0.3 1,-0.3 27,-0.2 0.338 94.2 129.8 84.3 -9.4 -39.4 23.5 -6.9 37 37 A K < - 0 0 77 -3,-2.3 27,-3.2 25,-0.1 2,-0.5 -0.359 57.4-116.8 -70.2 161.8 -37.7 26.2 -4.9 38 38 A F E -b 64 0A 7 54,-0.4 56,-2.7 25,-0.2 57,-1.1 -0.892 26.7-175.1-111.4 131.6 -37.7 25.7 -1.1 39 39 A A E -bc 65 95A 0 25,-2.8 27,-2.6 -2,-0.5 2,-0.5 -0.952 10.5-154.8-115.8 141.3 -39.3 27.8 1.6 40 40 A A E -bc 66 96A 0 55,-2.3 57,-3.1 -2,-0.4 2,-0.7 -0.970 2.3-155.2-116.0 130.9 -38.8 27.2 5.4 41 41 A N E -bc 67 97A 1 25,-2.7 27,-3.0 -2,-0.5 2,-0.8 -0.922 10.6-174.0-104.6 111.6 -41.4 28.2 7.9 42 42 A L E +bc 68 98A 0 55,-3.5 57,-2.3 -2,-0.7 2,-0.7 -0.857 6.0 177.4-109.9 95.9 -39.9 28.8 11.3 43 43 A F E +bc 69 99A 7 25,-1.9 27,-1.4 -2,-0.8 28,-0.5 -0.870 14.1 169.3-107.3 106.4 -42.6 29.4 13.8 44 44 A F S S+ 0 0 21 55,-2.8 56,-0.1 -2,-0.7 -1,-0.1 0.432 72.8 45.8 -92.2 -4.6 -41.3 29.8 17.4 45 45 A E S S- 0 0 71 54,-0.3 25,-0.1 319,-0.1 54,-0.1 -0.936 102.7 -84.5-133.4 157.3 -44.7 31.1 18.6 46 46 A P + 0 0 51 0, 0.0 2,-0.3 0, 0.0 319,-0.2 -0.248 52.3 164.0 -61.3 148.7 -48.2 29.7 17.9 47 47 A S + 0 0 3 317,-2.0 320,-0.1 -4,-0.1 -4,-0.0 -0.915 22.5 170.8-163.6 139.0 -49.9 30.7 14.7 48 48 A T S > S+ 0 0 1 -2,-0.3 4,-2.0 317,-0.2 5,-0.4 0.700 84.1 34.4-110.2 -63.9 -52.9 29.6 12.6 49 49 A R H > S+ 0 0 15 2,-0.2 4,-2.6 3,-0.2 5,-0.3 0.944 123.9 40.5 -56.3 -54.4 -53.6 32.2 10.0 50 50 A T H > S+ 0 0 3 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.943 117.2 46.6 -69.5 -47.2 -50.1 33.3 9.2 51 51 A R H > S+ 0 0 35 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.941 120.4 37.2 -58.9 -50.6 -48.4 29.9 9.4 52 52 A F H X S+ 0 0 6 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.846 114.3 52.9 -81.3 -29.1 -50.9 28.1 7.2 53 53 A S H X S+ 0 0 0 -4,-2.6 4,-2.5 -5,-0.4 -1,-0.2 0.894 110.2 50.9 -69.9 -35.8 -51.6 30.9 4.8 54 54 A F H X S+ 0 0 0 -4,-2.2 4,-2.6 -5,-0.3 -2,-0.2 0.913 111.0 48.6 -61.2 -42.1 -47.9 31.1 4.2 55 55 A E H X S+ 0 0 4 -4,-1.7 4,-2.5 2,-0.2 5,-0.2 0.927 111.9 47.3 -64.3 -45.8 -47.8 27.4 3.6 56 56 A V H X S+ 0 0 0 -4,-2.7 4,-3.0 1,-0.2 5,-0.2 0.933 112.9 50.8 -58.1 -43.9 -50.8 27.5 1.2 57 57 A A H X S+ 0 0 0 -4,-2.5 4,-1.4 2,-0.2 -2,-0.2 0.918 109.9 49.0 -62.3 -45.2 -49.1 30.5 -0.6 58 58 A E H <>S+ 0 0 0 -4,-2.6 5,-2.6 1,-0.2 3,-0.3 0.936 114.8 44.9 -58.9 -46.4 -45.8 28.6 -0.9 59 59 A K H ><5S+ 0 0 43 -4,-2.5 3,-1.7 1,-0.2 -2,-0.2 0.860 107.9 56.3 -69.8 -35.1 -47.5 25.5 -2.3 60 60 A K H 3<5S+ 0 0 85 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.799 106.0 53.3 -66.8 -24.2 -49.7 27.6 -4.7 61 61 A L T 3<5S- 0 0 6 -4,-1.4 -27,-0.3 -3,-0.3 -1,-0.3 0.426 122.5-111.5 -85.1 0.3 -46.4 28.9 -6.0 62 62 A G T < 5 + 0 0 31 -3,-1.7 -26,-2.9 1,-0.2 -3,-0.2 0.670 67.1 149.4 80.0 18.4 -45.2 25.3 -6.5 63 63 A M < - 0 0 9 -5,-2.6 2,-0.3 -28,-0.2 -1,-0.2 -0.463 49.9-119.6 -85.3 155.6 -42.6 25.5 -3.8 64 64 A N E -b 38 0A 42 -27,-3.2 -25,-2.8 -2,-0.1 2,-0.4 -0.743 34.5-147.7 -84.2 144.0 -41.2 22.7 -1.6 65 65 A V E -b 39 0A 5 -2,-0.3 2,-0.5 -27,-0.2 -25,-0.2 -0.945 17.5-167.3-124.7 132.1 -41.9 23.5 2.1 66 66 A L E -b 40 0A 0 -27,-2.6 -25,-2.7 -2,-0.4 2,-0.6 -0.971 15.4-155.3-110.5 131.0 -39.9 22.7 5.3 67 67 A N E -b 41 0A 43 -2,-0.5 2,-0.5 -27,-0.2 -25,-0.2 -0.927 11.2-175.7-111.5 121.2 -41.8 23.2 8.5 68 68 A L E -b 42 0A 5 -27,-3.0 -25,-1.9 -2,-0.6 2,-0.7 -0.965 15.5-157.6-115.5 122.0 -39.9 23.9 11.7 69 69 A D E > -b 43 0A 51 -2,-0.5 3,-0.7 -27,-0.2 5,-0.3 -0.883 10.3-166.0 -89.0 118.0 -41.5 24.3 15.1 70 70 A G T 3 S+ 0 0 12 -27,-1.4 -26,-0.2 -2,-0.7 5,-0.1 0.744 82.8 61.0 -81.6 -25.6 -38.9 26.2 17.1 71 71 A T T 3 S+ 0 0 99 -28,-0.5 -1,-0.2 3,-0.1 -27,-0.1 0.496 104.9 69.5 -75.7 -2.2 -40.3 25.7 20.6 72 72 A S S X S- 0 0 43 -3,-0.7 3,-0.7 4,-0.0 -4,-0.0 -0.200 104.5 -87.5-103.1-164.7 -39.7 22.0 19.8 73 73 A T T 3 S+ 0 0 76 1,-0.2 -3,-0.1 -2,-0.1 4,-0.1 0.747 107.7 82.6 -79.8 -27.3 -36.7 19.7 19.4 74 74 A S T 3 S+ 0 0 10 -5,-0.3 2,-0.4 556,-0.1 -1,-0.2 0.420 93.4 54.7 -63.3 1.9 -36.3 20.3 15.7 75 75 A V S < S- 0 0 17 -3,-0.7 -1,-0.1 -5,-0.1 557,-0.0 -0.959 93.3-122.2-134.6 122.2 -34.4 23.5 16.8 76 76 A Q - 0 0 49 -2,-0.4 2,-0.2 1,-0.1 8,-0.1 -0.291 30.8-112.2 -60.6 140.1 -31.4 23.2 19.2 77 77 A K S S+ 0 0 180 1,-0.2 2,-1.1 -4,-0.1 3,-0.1 -0.513 96.8 1.5 -74.7 141.4 -31.7 25.2 22.4 78 78 A G S S+ 0 0 78 1,-0.2 2,-0.4 -2,-0.2 -1,-0.2 0.021 96.9 128.0 71.7 -32.9 -29.3 28.2 22.7 79 79 A E S S- 0 0 14 -2,-1.1 -1,-0.2 1,-0.1 5,-0.1 -0.432 72.6 -99.1 -60.0 115.7 -28.0 27.2 19.3 80 80 A T > - 0 0 56 -2,-0.4 4,-2.1 1,-0.1 -1,-0.1 0.175 10.3-132.8 -56.7 148.9 -28.2 30.6 17.5 81 81 A L H > S+ 0 0 33 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.853 110.8 58.8 -61.3 -36.8 -31.0 31.7 15.2 82 82 A Y H > S+ 0 0 39 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.923 106.3 46.8 -57.1 -45.1 -28.2 32.9 12.8 83 83 A D H > S+ 0 0 5 2,-0.2 4,-2.8 1,-0.2 -2,-0.2 0.877 109.1 54.5 -67.8 -37.3 -26.8 29.3 12.7 84 84 A T H X S+ 0 0 1 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.947 111.2 45.1 -59.6 -47.9 -30.3 27.9 12.1 85 85 A I H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 -2,-0.2 0.928 113.9 48.3 -61.6 -46.8 -30.8 30.2 9.1 86 86 A R H X S+ 0 0 32 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.879 109.7 53.7 -62.7 -37.8 -27.3 29.5 7.7 87 87 A T H X S+ 0 0 3 -4,-2.8 4,-1.9 2,-0.2 -1,-0.2 0.949 110.2 47.4 -58.5 -47.4 -28.0 25.7 8.2 88 88 A L H X>S+ 0 0 1 -4,-2.3 5,-2.7 1,-0.2 4,-0.6 0.904 110.4 51.6 -63.6 -42.0 -31.2 26.2 6.1 89 89 A E H ><5S+ 0 0 26 -4,-2.8 3,-1.4 3,-0.2 -1,-0.2 0.943 108.6 52.8 -54.4 -49.6 -29.3 28.2 3.4 90 90 A S H 3<5S+ 0 0 11 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.860 107.3 50.1 -57.0 -41.0 -26.7 25.4 3.2 91 91 A I H 3<5S- 0 0 5 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.515 130.0 -92.9 -82.4 -2.0 -29.3 22.7 2.7 92 92 A G T <<5 + 0 0 19 -3,-1.4 -54,-0.4 -4,-0.6 2,-0.2 0.595 66.2 157.1 110.3 13.1 -30.9 24.7 -0.1 93 93 A V < - 0 0 2 -5,-2.7 -1,-0.3 -6,-0.1 -54,-0.2 -0.520 21.6-167.1 -69.7 133.1 -33.7 26.8 1.4 94 94 A D + 0 0 51 -56,-2.7 2,-0.3 1,-0.3 -55,-0.2 0.697 68.7 13.0 -96.9 -22.5 -34.4 29.9 -0.8 95 95 A V E -c 39 0A 0 -57,-1.1 -55,-2.3 20,-0.2 2,-0.4 -0.985 64.6-148.4-154.7 143.5 -36.5 31.9 1.6 96 96 A C E -cd 40 117A 0 20,-2.3 22,-2.9 -2,-0.3 2,-0.5 -0.962 0.8-159.3-119.5 134.1 -37.3 31.8 5.3 97 97 A V E -cd 41 118A 0 -57,-3.1 -55,-3.5 -2,-0.4 2,-0.4 -0.955 22.2-172.4-108.7 122.2 -40.6 32.8 7.1 98 98 A I E -cd 42 119A 0 20,-2.4 22,-3.2 -2,-0.5 2,-0.5 -0.958 24.9-176.1-126.9 129.1 -40.0 33.5 10.8 99 99 A R E +c 43 0A 14 -57,-2.3 -55,-2.8 -2,-0.4 -54,-0.3 -0.986 26.6 169.6-114.0 118.6 -42.3 34.2 13.7 100 100 A H - 0 0 39 21,-1.6 5,-0.1 -2,-0.5 -55,-0.1 -0.910 41.4-129.6-130.2 153.9 -40.1 34.9 16.8 101 101 A S S S+ 0 0 69 -2,-0.3 2,-0.3 -57,-0.1 21,-0.1 0.743 79.8 93.8 -74.6 -23.6 -40.8 36.3 20.3 102 102 A E S > S- 0 0 90 1,-0.1 3,-1.5 22,-0.1 2,-0.4 -0.556 79.3-120.6 -82.2 129.8 -38.1 39.0 20.2 103 103 A D T 3 S- 0 0 73 -2,-0.3 20,-0.1 1,-0.3 -1,-0.1 -0.515 96.5 -1.9 -66.2 118.8 -38.9 42.5 19.1 104 104 A E T 3 S+ 0 0 91 -2,-0.4 4,-0.5 18,-0.3 3,-0.5 0.808 75.8 151.9 68.8 32.4 -36.7 43.4 16.1 105 105 A Y <> + 0 0 3 -3,-1.5 4,-1.1 1,-0.2 5,-0.1 0.810 69.9 67.5 -54.3 -27.5 -34.9 40.0 16.1 106 106 A Y H > S+ 0 0 13 -4,-0.2 4,-4.0 1,-0.2 5,-0.3 0.891 79.3 71.4 -63.4 -49.6 -34.7 41.0 12.4 107 107 A E H > S+ 0 0 109 -3,-0.5 4,-1.2 1,-0.2 -1,-0.2 0.851 110.2 27.3 -38.6 -70.2 -32.4 44.0 12.3 108 108 A E H >> S+ 0 0 85 -4,-0.5 4,-0.9 1,-0.2 3,-0.5 0.957 124.6 50.2 -59.1 -54.3 -29.0 42.4 13.1 109 109 A L H >X S+ 0 0 7 -4,-1.1 4,-1.1 1,-0.2 3,-1.1 0.889 105.1 56.3 -52.1 -49.4 -30.0 39.0 11.7 110 110 A V H 3< S+ 0 0 25 -4,-4.0 3,-0.3 1,-0.3 -1,-0.2 0.839 104.5 51.6 -59.5 -38.1 -31.2 40.3 8.3 111 111 A S H << S+ 0 0 99 -4,-1.2 -1,-0.3 -3,-0.5 -2,-0.2 0.727 112.3 47.2 -71.9 -21.3 -28.0 42.1 7.5 112 112 A Q H << S+ 0 0 89 -3,-1.1 -1,-0.2 -4,-0.9 -2,-0.2 0.601 97.0 77.2-101.6 -9.5 -25.9 39.0 8.1 113 113 A V < - 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0 0 15 1,-0.1 320,-0.2 -4,-0.1 4,-0.1 -0.773 22.9-158.7-171.4 130.8 -52.7 8.6 15.9 340 48 B T S > S+ 0 0 17 318,-0.6 4,-1.1 -2,-0.2 3,-0.2 0.949 88.4 16.6 -69.4 -74.6 -50.0 6.7 14.3 341 49 B R H > S+ 0 0 22 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.616 112.6 64.1 -84.1 -25.8 -51.5 5.2 11.3 342 50 B T H > S+ 0 0 6 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.952 107.3 45.5 -69.1 -43.2 -54.8 6.9 10.5 343 51 B R H > S+ 0 0 43 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.906 114.6 47.2 -63.6 -45.4 -53.1 10.3 9.8 344 52 B F H X S+ 0 0 8 -4,-1.1 4,-2.5 2,-0.2 -1,-0.2 0.871 111.3 51.8 -64.0 -38.5 -50.4 8.7 7.7 345 53 B S H X S+ 0 0 2 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.911 111.5 46.6 -65.5 -45.0 -52.9 6.7 5.7 346 54 B F H X S+ 0 0 0 -4,-2.3 4,-3.0 2,-0.2 -2,-0.2 0.902 111.4 52.5 -60.5 -41.7 -55.0 9.8 5.0 347 55 B E H X S+ 0 0 5 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.918 109.4 47.4 -66.1 -43.6 -51.8 11.7 4.0 348 56 B V H X S+ 0 0 0 -4,-2.5 4,-3.0 2,-0.2 5,-0.2 0.931 113.1 50.4 -57.8 -44.6 -50.8 9.0 1.5 349 57 B A H X S+ 0 0 0 -4,-2.1 4,-1.3 2,-0.2 -2,-0.2 0.942 111.5 47.2 -58.7 -49.3 -54.4 9.0 0.1 350 58 B E H <>S+ 0 0 0 -4,-3.0 5,-2.6 1,-0.2 3,-0.4 0.927 114.5 46.7 -58.5 -47.1 -54.3 12.8 -0.2 351 59 B K H ><5S+ 0 0 40 -4,-2.6 3,-1.6 1,-0.2 -2,-0.2 0.877 108.1 54.6 -67.4 -37.0 -51.0 12.7 -1.9 352 60 B K H 3<5S+ 0 0 94 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.761 105.4 55.0 -65.8 -23.9 -51.9 9.9 -4.3 353 61 B L T 3<5S- 0 0 7 -4,-1.3 -27,-0.3 -3,-0.4 -1,-0.3 0.404 122.9-110.1 -84.9 2.6 -54.9 12.1 -5.3 354 62 B G T < 5 + 0 0 28 -3,-1.6 -26,-2.8 1,-0.2 -3,-0.2 0.632 68.0 150.6 79.3 15.3 -52.4 14.8 -6.2 355 63 B M < - 0 0 9 -5,-2.6 2,-0.3 -28,-0.2 -1,-0.2 -0.445 48.2-123.6 -84.2 151.7 -53.5 17.0 -3.2 356 64 B N E -m 330 0D 46 -27,-3.2 -25,-2.5 -2,-0.1 2,-0.4 -0.697 33.9-143.9 -82.1 150.1 -51.5 19.6 -1.3 357 65 B V E -m 331 0D 4 -2,-0.3 2,-0.5 -27,-0.2 -25,-0.2 -0.957 18.8-167.9-129.8 129.6 -51.5 18.8 2.5 358 66 B L E -m 332 0D 0 -27,-2.7 -25,-3.1 -2,-0.4 2,-0.5 -0.963 14.1-156.6-111.7 130.3 -51.6 20.9 5.6 359 67 B N E +m 333 0D 48 -2,-0.5 2,-0.3 -27,-0.2 -25,-0.2 -0.941 17.3 170.1-110.2 122.5 -50.9 19.2 8.9 360 68 B L E +m 334 0D 6 -27,-3.0 -25,-2.1 -2,-0.5 -312,-0.0 -0.883 17.4 175.0-120.7 157.2 -52.2 20.6 12.2 361 69 B D - 0 0 90 -2,-0.3 2,-0.6 -27,-0.2 -27,-0.1 0.255 48.8-111.5-148.8 20.4 -52.4 19.3 15.8 362 70 B G S S+ 0 0 11 1,-0.1 6,-0.6 -25,-0.0 3,-0.2 0.003 95.6 91.2 82.1 -32.1 -53.6 22.0 18.1 363 71 B T S S+ 0 0 90 -2,-0.6 5,-0.2 1,-0.2 -1,-0.1 0.992 97.6 23.2 -59.6 -68.9 -50.3 22.5 19.9 364 72 B S S S+ 0 0 32 -318,-0.1 -317,-2.0 3,-0.1 2,-0.3 0.227 107.1 96.4 -92.1 15.2 -48.6 25.2 17.9 365 73 B T S > S- 0 0 6 -319,-0.2 3,-1.7 -3,-0.2 -317,-0.2 -0.706 89.7-111.2 -98.4 157.0 -51.8 26.6 16.4 366 74 B S T 3 >S+ 0 0 6 1,-0.3 5,-0.8 -2,-0.3 3,-0.4 0.329 104.8 92.1 -63.3 7.6 -53.8 29.6 17.7 367 75 B V T 3 5S+ 0 0 29 1,-0.2 -1,-0.3 -5,-0.1 -4,-0.1 0.900 73.6 63.0 -64.1 -43.8 -56.3 26.9 18.5 368 76 B Q T < 5S+ 0 0 146 -3,-1.7 -1,-0.2 -6,-0.6 -2,-0.2 0.626 96.4 73.9 -61.7 -14.3 -54.8 26.7 22.0 369 77 B K T 5S- 0 0 49 -3,-0.4 -4,-0.0 -4,-0.2 -116,-0.0 0.041 121.4 -77.4 -70.6-162.0 -56.0 30.3 22.2 370 78 B G T 5S+ 0 0 51 -119,-0.1 -3,-0.1 2,-0.0 -116,-0.1 0.429 84.4 140.1 -81.9 4.1 -59.8 30.7 22.7 371 79 B E < - 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