==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE REGULATOR 28-JUN-07 2QG9 . COMPND 2 MOLECULE: ASPARTATE CARBAMOYLTRANSFERASE CATALYTIC CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR B.STEC,M.K.WILLIAMS,K.A.STIEGLITZ,E.R.KANTROWITZ . 926 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 41658.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 652 70.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 82 8.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 94 10.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 98 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 124 13.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 212 22.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 0.9 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 3 0 4 6 2 0 1 1 1 0 2 2 0 0 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 6 1 5 4 2 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 . 1 1 5 1 6 1 2 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 . 1 0 3 1 2 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 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 0 110 0, 0.0 306,-0.2 0, 0.0 305,-0.1 0.000 360.0 360.0 360.0 147.3 36.9 47.0 -8.7 2 2 A N > - 0 0 20 304,-1.8 3,-3.3 1,-0.1 305,-0.0 -0.239 360.0-110.4 -48.5 130.7 36.1 43.7 -6.9 3 3 A P T 3 S+ 0 0 83 0, 0.0 -1,-0.1 0, 0.0 16,-0.1 0.718 115.0 43.8 -32.3 -47.1 33.8 44.6 -3.9 4 4 A L T > S+ 0 0 4 15,-0.1 3,-1.3 2,-0.1 -2,-0.1 0.269 80.9 136.1 -93.2 16.2 36.5 43.9 -1.2 5 5 A Y T < S- 0 0 79 -3,-3.3 298,-0.2 1,-0.3 299,-0.1 -0.373 84.3 -7.7 -62.7 137.9 39.3 45.6 -3.0 6 6 A Q T 3 S+ 0 0 80 297,-2.1 -1,-0.3 296,-0.2 297,-0.1 0.470 105.4 137.6 55.9 -1.9 41.4 47.8 -0.6 7 7 A K < - 0 0 76 -3,-1.3 2,-0.4 1,-0.1 -1,-0.1 -0.098 57.3-112.3 -68.0 174.5 38.8 47.1 2.0 8 8 A H - 0 0 59 115,-0.1 2,-0.8 -3,-0.1 117,-0.2 -0.850 16.3-148.6-106.2 139.5 39.5 46.3 5.6 9 9 A I B +a 125 0A 3 115,-2.2 117,-2.4 -2,-0.4 127,-0.1 -0.899 48.9 126.8-112.3 100.5 38.7 42.9 6.9 10 10 A I + 0 0 7 -2,-0.8 2,-0.4 1,-0.3 119,-0.2 0.726 60.7 21.0-118.3 -57.8 37.9 43.4 10.6 11 11 A S > - 0 0 1 -3,-0.2 3,-0.9 1,-0.1 -1,-0.3 -0.973 56.7-136.3-128.8 141.3 34.6 42.0 11.7 12 12 A I G > S+ 0 0 0 -2,-0.4 3,-2.6 1,-0.3 -1,-0.1 0.899 106.7 62.9 -54.5 -45.4 32.4 39.3 10.4 13 13 A N G 3 S+ 0 0 59 1,-0.3 -1,-0.3 -3,-0.1 2,-0.1 0.896 96.2 64.2 -47.5 -37.5 29.3 41.4 11.0 14 14 A D G < S+ 0 0 88 -3,-0.9 2,-0.4 2,-0.0 -1,-0.3 0.220 90.5 73.5 -75.5 13.2 30.9 43.8 8.4 15 15 A L S < S- 0 0 5 -3,-2.6 2,-0.3 -2,-0.1 -6,-0.0 -0.974 74.0-145.1-126.6 137.7 30.7 41.3 5.6 16 16 A S >> - 0 0 57 -2,-0.4 4,-1.6 1,-0.0 3,-1.5 -0.705 32.9 -97.6 -97.5 163.1 27.3 40.6 3.9 17 17 A R H 3> S+ 0 0 89 1,-0.3 4,-1.5 -2,-0.3 -1,-0.0 0.789 126.0 55.1 -53.1 -28.4 26.2 37.3 2.6 18 18 A D H 3> S+ 0 0 125 2,-0.2 4,-0.7 3,-0.1 -1,-0.3 0.890 109.6 49.2 -71.0 -34.9 27.2 38.4 -0.9 19 19 A D H X> S+ 0 0 17 -3,-1.5 3,-3.3 2,-0.2 4,-1.6 0.998 107.3 48.7 -64.9 -66.2 30.6 39.1 0.4 20 20 A L H 3X S+ 0 0 1 -4,-1.6 4,-3.2 1,-0.3 5,-0.2 0.853 109.1 58.6 -38.3 -45.1 31.3 35.9 2.2 21 21 A N H 3X S+ 0 0 68 -4,-1.5 4,-1.7 -5,-0.3 -1,-0.3 0.658 104.0 49.9 -61.6 -27.5 30.1 34.2 -1.0 22 22 A L H X S+ 0 0 105 -4,-1.9 4,-2.3 1,-0.2 3,-0.6 0.930 113.0 54.0 -50.4 -52.5 38.9 28.6 -7.4 30 30 A L H 3< S+ 0 0 0 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.934 98.2 63.3 -45.5 -53.8 42.3 29.3 -5.7 31 31 A K H 3< S+ 0 0 79 -4,-3.1 -1,-0.2 -5,-0.2 -2,-0.2 0.868 113.5 34.7 -39.7 -49.9 42.2 25.8 -4.2 32 32 A A H << S+ 0 0 69 -4,-1.3 -2,-0.2 -3,-0.6 -1,-0.2 0.993 126.3 30.9 -76.1 -64.1 42.3 24.3 -7.7 33 33 A N S < S- 0 0 115 -4,-2.3 -1,-0.2 277,-0.0 -2,-0.1 -0.845 75.9-153.5-107.8 110.6 44.5 26.7 -9.7 34 34 A P - 0 0 75 0, 0.0 32,-0.1 0, 0.0 -3,-0.1 -0.202 13.3-158.7 -73.4 160.3 47.2 28.6 -7.9 35 35 A Q > - 0 0 53 30,-0.2 3,-2.5 275,-0.0 4,-0.3 -0.605 15.3-178.9-141.2 68.1 48.7 31.9 -8.9 36 36 A P T 3 S+ 0 0 76 0, 0.0 30,-0.1 0, 0.0 -1,-0.0 0.339 82.6 39.5 -53.7 -0.7 52.1 31.6 -7.0 37 37 A E T > S+ 0 0 131 3,-0.1 3,-1.2 30,-0.0 30,-0.1 0.079 80.3 112.8-139.7 21.1 53.1 35.1 -8.2 38 38 A L T < S+ 0 0 40 -3,-2.5 29,-0.1 1,-0.3 28,-0.1 0.894 91.5 28.3 -62.1 -48.5 49.8 36.9 -7.8 39 39 A L T > S+ 0 0 0 27,-1.3 3,-1.0 -4,-0.3 -1,-0.3 -0.226 90.7 151.9-106.6 40.3 50.9 39.1 -5.0 40 40 A K T < + 0 0 96 -3,-1.2 2,-0.6 1,-0.2 28,-0.2 -0.258 66.7 20.5 -64.1 162.4 54.6 39.1 -6.1 41 41 A H T 3 S+ 0 0 161 26,-0.4 -1,-0.2 1,-0.2 27,-0.1 0.228 99.2 118.9 65.3 -21.9 56.6 42.2 -5.2 42 42 A K < - 0 0 53 -3,-1.0 27,-2.0 -2,-0.6 2,-0.4 -0.410 51.2-154.2 -75.8 152.1 54.0 42.9 -2.5 43 43 A V E -b 69 0A 40 25,-0.2 57,-2.3 -3,-0.1 58,-0.6 -0.994 10.0-173.9-129.7 132.6 55.1 43.0 1.1 44 44 A I E -bc 70 101A 0 25,-2.2 27,-1.5 -2,-0.4 2,-0.3 -0.970 16.1-141.9-127.4 133.6 52.9 42.3 4.1 45 45 A A E -bc 71 102A 1 56,-1.7 58,-1.8 -2,-0.4 2,-0.6 -0.718 9.8-144.9 -91.4 146.0 53.9 42.7 7.7 46 46 A S E -bc 72 103A 0 25,-2.2 27,-1.9 -2,-0.3 2,-0.4 -0.966 15.4-172.3-104.6 123.7 52.6 40.2 10.1 47 47 A C E +bc 73 104A 1 56,-3.0 2,-2.0 -2,-0.6 58,-1.9 -0.550 10.6 170.9-121.1 69.8 51.9 41.9 13.5 48 48 A F E > +bc 74 105A 0 25,-1.6 27,-0.8 -2,-0.4 3,-0.5 -0.520 3.9 171.3 -80.1 77.5 51.1 39.2 16.0 49 49 A F T 3 S+ 0 0 40 -2,-2.0 27,-0.6 56,-1.4 2,-0.2 0.617 84.9 34.3 -57.0 -21.1 51.0 41.3 19.1 50 50 A E T 3 S- 0 0 69 25,-0.1 -1,-0.3 -3,-0.1 56,-0.1 -0.744 103.7-128.8-140.4 82.6 49.6 38.0 20.8 51 51 A A < + 0 0 35 -3,-0.5 2,-0.4 -2,-0.2 3,-0.1 -0.021 31.2 176.3 -42.7 123.7 51.3 35.1 19.0 52 52 A S > - 0 0 31 1,-0.2 4,-2.2 2,-0.0 5,-0.2 -0.870 16.1-161.9-133.9 83.7 49.2 32.3 17.7 53 53 A T H > S+ 0 0 82 -2,-0.4 4,-3.9 2,-0.2 5,-0.3 0.847 84.9 43.0 -30.2 -63.5 51.8 30.2 16.0 54 54 A R H > S+ 0 0 136 1,-0.3 4,-1.6 2,-0.2 -1,-0.2 0.962 114.9 51.4 -60.6 -47.2 49.5 28.2 13.7 55 55 A T H > S+ 0 0 12 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.809 114.1 45.1 -58.0 -29.9 47.5 31.2 12.8 56 56 A R H X S+ 0 0 44 -4,-2.2 4,-3.4 -3,-0.2 5,-0.4 0.935 110.3 51.3 -77.5 -47.6 50.7 32.9 12.0 57 57 A L H X S+ 0 0 93 -4,-3.9 4,-0.9 1,-0.2 -2,-0.2 0.702 113.9 50.9 -60.9 -13.8 52.1 29.9 10.1 58 58 A S H X S+ 0 0 17 -4,-1.6 4,-2.1 -5,-0.3 -1,-0.2 0.889 112.5 39.0 -90.3 -48.8 48.8 30.1 8.2 59 59 A F H X S+ 0 0 1 -4,-1.8 4,-4.0 -5,-0.2 -2,-0.2 0.974 122.2 47.4 -64.8 -44.6 48.7 33.7 7.2 60 60 A E H X S+ 0 0 46 -4,-3.4 4,-2.6 1,-0.3 -2,-0.2 0.893 110.1 50.7 -63.2 -40.0 52.3 33.4 6.5 61 61 A T H X S+ 0 0 57 -4,-0.9 4,-1.1 -5,-0.4 -1,-0.3 0.846 113.5 46.8 -68.0 -29.8 51.9 30.2 4.6 62 62 A S H >X S+ 0 0 0 -4,-2.1 3,-1.1 2,-0.2 4,-0.7 0.973 109.3 55.1 -73.5 -43.4 49.3 32.0 2.6 63 63 A M H ><>S+ 0 0 1 -4,-4.0 5,-2.4 1,-0.3 3,-1.1 0.893 111.0 43.7 -51.5 -45.7 51.6 34.9 2.2 64 64 A H H ><5S+ 0 0 115 -4,-2.6 3,-1.2 1,-0.2 -1,-0.3 0.721 100.8 70.6 -76.0 -17.6 54.3 32.8 0.7 65 65 A R H <<5S+ 0 0 163 -3,-1.1 -1,-0.2 -4,-1.1 -30,-0.2 0.581 102.8 41.8 -73.8 -15.1 52.0 30.8 -1.6 66 66 A L T <<5S- 0 0 1 -3,-1.1 -27,-1.3 -4,-0.7 -1,-0.3 0.100 124.4-103.7-114.9 19.2 51.3 33.8 -3.9 67 67 A G T < 5 + 0 0 34 -3,-1.2 -26,-0.4 1,-0.2 2,-0.4 0.816 67.1 158.9 63.2 37.0 55.0 34.7 -3.7 68 68 A A < - 0 0 2 -5,-2.4 -1,-0.2 -6,-0.2 -25,-0.2 -0.778 38.7-126.1 -96.0 134.3 54.5 37.6 -1.2 69 69 A S E -b 43 0A 74 -27,-2.0 -25,-2.2 -2,-0.4 2,-0.4 -0.449 27.3-150.7 -74.7 149.7 57.4 38.9 0.9 70 70 A V E +b 44 0A 43 -27,-0.2 2,-0.3 -2,-0.1 -25,-0.2 -0.971 22.2 171.0-137.2 129.5 56.9 39.1 4.7 71 71 A V E +b 45 0A 73 -27,-1.5 -25,-2.2 -2,-0.4 2,-0.3 -0.800 31.5 103.3-123.0 157.9 58.2 41.2 7.6 72 72 A G E -b 46 0A 50 -2,-0.3 2,-0.2 -27,-0.3 -25,-0.2 -0.938 45.7-112.1 160.2-177.5 56.9 41.1 11.1 73 73 A F E -b 47 0A 83 -27,-1.9 -25,-1.6 -2,-0.3 2,-0.3 -0.797 16.4-163.1-140.0-175.4 56.9 40.2 14.8 74 74 A S E +b 48 0A 47 -2,-0.2 3,-0.4 -27,-0.2 -25,-0.2 -0.959 59.3 6.8-165.7 167.7 55.1 38.1 17.4 75 75 A D S S- 0 0 102 -27,-0.8 2,-1.1 -2,-0.3 -1,-0.2 0.651 73.9-127.2 8.1 89.3 54.6 37.6 21.2 76 76 A S - 0 0 37 -27,-0.6 -1,-0.2 1,-0.2 4,-0.1 -0.508 20.4-139.7 -59.3 97.7 56.5 40.6 22.4 77 77 A A - 0 0 93 -2,-1.1 -1,-0.2 -3,-0.4 2,-0.1 0.821 65.9 -46.9 -26.1 -61.6 58.6 38.5 24.7 78 78 A N S S+ 0 0 113 -3,-0.1 2,-1.5 0, 0.0 -2,-0.1 -0.078 122.1 9.8-144.4-102.9 58.4 41.1 27.4 79 79 A T + 0 0 104 -2,-0.1 2,-0.3 4,-0.1 -2,-0.1 -0.508 66.7 160.7 -94.1 71.4 59.0 44.8 27.0 80 80 A S - 0 0 60 -2,-1.5 3,-0.4 -4,-0.1 4,-0.3 -0.719 48.0-106.4 -83.2 138.2 59.1 45.4 23.3 81 81 A L S S+ 0 0 135 -2,-0.3 4,-0.1 1,-0.2 -1,-0.1 -0.463 104.7 58.7 -71.0 141.6 58.4 49.1 22.5 82 82 A G S S+ 0 0 11 2,-0.8 -1,-0.2 -2,-0.2 3,-0.1 0.345 99.2 75.0 113.7 6.7 55.0 50.0 21.1 83 83 A K S S+ 0 0 108 1,-0.7 5,-0.1 -3,-0.4 -2,-0.1 0.546 101.3 16.8-108.5-102.6 53.6 48.3 24.2 84 84 A K S S+ 0 0 175 -4,-0.3 2,-2.3 1,-0.1 -2,-0.8 -0.467 140.3 6.3 -73.4 146.9 54.0 50.6 27.3 85 85 A G S S+ 0 0 57 -3,-0.1 2,-0.7 -2,-0.1 -1,-0.1 -0.523 116.4 80.5 81.1 -76.7 54.7 54.2 26.3 86 86 A E S S- 0 0 61 -2,-2.3 2,-0.2 1,-0.1 -1,-0.1 -0.517 76.8-139.8 -76.4 114.8 54.3 53.7 22.6 87 87 A T >> - 0 0 32 -2,-0.7 4,-1.9 1,-0.1 3,-0.7 -0.435 17.2-124.7 -69.7 135.3 50.7 53.7 21.5 88 88 A L H 3> S+ 0 0 6 1,-0.2 4,-1.2 2,-0.2 5,-0.2 0.632 110.0 66.5 -55.0 -19.0 49.6 51.1 18.9 89 89 A A H >> S+ 0 0 0 2,-0.2 4,-3.0 1,-0.2 3,-0.8 0.977 103.3 40.3 -64.6 -60.6 48.3 54.2 17.0 90 90 A D H <> S+ 0 0 86 -3,-0.7 4,-1.8 1,-0.2 -2,-0.2 0.821 115.8 56.8 -60.2 -29.1 51.7 55.6 16.4 91 91 A T H 3X S+ 0 0 25 -4,-1.9 4,-1.1 2,-0.2 -1,-0.2 0.795 107.2 43.5 -81.5 -16.8 52.8 52.1 15.8 92 92 A I H X S+ 0 0 63 -4,-1.8 3,-1.5 1,-0.2 4,-1.0 0.926 113.5 46.1 -71.4 -40.6 54.8 53.9 11.1 95 95 A I H 3X S+ 0 0 19 -4,-1.1 4,-2.7 1,-0.3 -2,-0.2 0.862 98.5 72.9 -71.3 -28.2 54.3 50.4 9.5 96 96 A S H 3< S+ 0 0 14 -4,-2.5 -1,-0.3 1,-0.2 25,-0.2 0.584 97.7 51.9 -58.2 -13.4 51.6 51.9 7.2 97 97 A T H <4 S+ 0 0 96 -3,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.887 114.4 36.0 -93.1 -46.4 54.5 53.6 5.4 98 98 A Y H < S+ 0 0 173 -4,-1.0 -2,-0.2 2,-0.0 2,-0.1 0.921 109.5 66.7 -74.1 -44.9 56.8 50.6 4.8 99 99 A V < - 0 0 6 -4,-2.7 -55,-0.2 1,-0.1 3,-0.1 -0.408 61.2-147.4 -88.3 157.9 54.2 47.9 4.1 100 100 A D S S- 0 0 74 -57,-2.3 2,-0.3 1,-0.2 -56,-0.2 0.529 86.4 -3.8 -90.8 -13.5 51.6 47.1 1.4 101 101 A A E -c 44 0A 0 -58,-0.6 -56,-1.7 21,-0.2 2,-0.4 -0.974 63.1-136.2-167.0 172.2 49.2 45.5 3.9 102 102 A I E -cd 45 124A 0 21,-1.8 23,-1.9 -2,-0.3 2,-0.5 -0.944 11.0-176.9-148.5 124.9 48.9 44.4 7.5 103 103 A V E +cd 46 125A 0 -58,-1.8 -56,-3.0 -2,-0.4 2,-0.3 -0.957 25.9 170.4-114.6 132.9 47.6 41.3 9.2 104 104 A M E -cd 47 126A 0 21,-1.9 23,-2.7 -2,-0.5 2,-0.3 -0.956 28.4-155.9-143.9 168.1 47.6 41.5 13.0 105 105 A R E -c 48 0A 26 -58,-1.9 -56,-1.4 -2,-0.3 24,-0.2 -0.954 23.1-176.2-137.2 146.3 46.4 39.9 16.1 106 106 A H E - d 0 129A 16 22,-1.6 24,-2.3 -2,-0.3 4,-0.1 -1.000 34.4-136.7-156.1 150.1 45.9 41.6 19.4 107 107 A P S S+ 0 0 51 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 0.975 88.9 61.6 -64.5 -60.4 45.0 41.3 23.1 108 108 A Q S > S- 0 0 56 22,-0.1 3,-0.7 1,-0.1 22,-0.3 -0.404 91.5-108.3 -73.2 150.8 42.6 44.3 23.5 109 109 A E T 3 S+ 0 0 12 315,-1.8 317,-0.4 1,-0.2 343,-0.3 -0.365 96.1 21.9 -77.6 150.2 39.4 44.5 21.5 110 110 A G T >> S+ 0 0 2 341,-0.3 4,-2.0 342,-0.2 3,-0.9 0.208 79.5 129.6 81.4 -16.1 38.8 46.8 18.6 111 111 A A H <> S+ 0 0 0 -3,-0.7 4,-3.0 1,-0.3 5,-0.1 0.812 74.6 47.4 -36.2 -48.7 42.6 47.1 18.2 112 112 A A H 3> S+ 0 0 0 2,-0.2 4,-1.9 1,-0.2 -1,-0.3 0.915 107.8 54.8 -62.8 -46.3 42.2 46.4 14.5 113 113 A R H X> S+ 0 0 58 -3,-0.9 3,-1.9 1,-0.2 4,-0.8 0.989 111.3 44.7 -53.2 -56.2 39.4 48.8 14.2 114 114 A L H >X S+ 0 0 0 -4,-2.0 3,-2.4 1,-0.3 4,-1.1 0.886 107.0 60.3 -50.4 -48.0 41.7 51.5 15.6 115 115 A A H 3X S+ 0 0 0 -4,-3.0 4,-1.2 1,-0.3 -1,-0.3 0.833 95.5 63.4 -47.9 -40.1 44.5 50.3 13.4 116 116 A T H << S+ 0 0 36 -4,-1.9 -1,-0.3 -3,-1.9 4,-0.2 0.795 97.9 56.7 -56.9 -30.0 42.2 51.2 10.5 117 117 A E H X< S+ 0 0 78 -3,-2.4 3,-0.6 -4,-0.8 -2,-0.2 0.972 118.8 27.3 -71.5 -48.6 42.3 54.8 11.5 118 118 A F H 3< S+ 0 0 50 -4,-1.1 -1,-0.2 1,-0.2 -2,-0.2 0.421 95.1 98.0 -92.1 -0.3 46.0 55.3 11.4 119 119 A S T >< S- 0 0 1 -4,-1.2 2,-1.9 -5,-0.3 3,-1.5 0.648 76.2-152.1 -61.6 -17.6 46.4 52.6 8.8 120 120 A G T < - 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