==== 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 TRANSFERASE/TRANSFERASE REGULATOR 25-SEP-04 1XJW . COMPND 2 MOLECULE: ASPARTATE CARBAMOYLTRANSFERASE CATALYTIC CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR K.A.STIEGLITZ,N.ALAM,J.XIA,S.GOURINATH,H.TSURUTA,E.R.KANTROW . 926 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 40700.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 612 66.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 91 9.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 89 9.6 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 . 2 0.2 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 . 76 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 117 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 196 21.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 0.8 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 4 0 4 1 3 2 2 0 2 1 0 2 2 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 8 0 4 3 7 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 . 2 1 5 0 6 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 2 2 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 95 0, 0.0 306,-0.2 0, 0.0 305,-0.1 0.000 360.0 360.0 360.0 124.8 37.4 46.8 -9.1 2 2 A N > - 0 0 14 304,-2.2 3,-1.6 303,-0.2 305,-0.0 -0.225 360.0-101.8 -61.3 157.2 36.0 43.8 -7.2 3 3 A P T 3 S+ 0 0 81 0, 0.0 -1,-0.1 0, 0.0 16,-0.1 0.850 117.7 45.6 -50.0 -44.6 33.9 44.7 -4.1 4 4 A L T > S+ 0 0 3 15,-0.1 3,-1.9 2,-0.1 2,-0.1 0.308 77.7 135.7 -87.6 8.7 36.7 43.9 -1.5 5 5 A Y T < S- 0 0 74 -3,-1.6 298,-0.2 1,-0.3 299,-0.2 -0.362 85.9 -8.5 -61.1 131.6 39.5 45.7 -3.2 6 6 A Q T 3 S+ 0 0 69 297,-2.6 -1,-0.3 1,-0.2 2,-0.3 0.636 103.4 145.3 54.9 16.7 41.6 47.8 -0.8 7 7 A K < - 0 0 111 -3,-1.9 2,-0.3 295,-0.1 -1,-0.2 -0.606 52.8-120.8 -88.3 142.8 39.0 47.0 1.9 8 8 A H - 0 0 66 -2,-0.3 2,-0.6 115,-0.1 117,-0.2 -0.606 17.5-153.7 -77.4 140.7 39.7 46.5 5.6 9 9 A I B +a 125 0A 2 115,-2.1 117,-2.3 -2,-0.3 127,-0.2 -0.727 44.5 132.1-118.0 80.0 38.6 43.1 6.9 10 10 A I + 0 0 3 -2,-0.6 2,-0.4 1,-0.3 -1,-0.1 0.884 66.4 12.9 -96.1 -48.7 38.0 43.7 10.5 11 11 A S > - 0 0 1 -3,-0.2 3,-2.6 123,-0.1 4,-0.5 -0.994 55.0-135.9-138.2 139.3 34.6 42.2 11.4 12 12 A I G > S+ 0 0 0 -2,-0.4 3,-0.7 1,-0.3 -1,-0.1 0.724 106.1 73.0 -61.2 -17.3 32.2 39.8 9.7 13 13 A N G 3 S+ 0 0 65 1,-0.2 -1,-0.3 3,-0.0 158,-0.0 0.700 95.4 50.3 -69.8 -17.0 29.6 42.3 11.0 14 14 A D G < S+ 0 0 89 -3,-2.6 -1,-0.2 2,-0.1 -2,-0.2 0.568 100.7 76.7 -95.3 -13.8 30.9 44.7 8.3 15 15 A L < - 0 0 15 -3,-0.7 2,-0.3 -4,-0.5 -6,-0.0 -0.487 69.7-138.0 -94.8 169.0 30.7 42.2 5.4 16 16 A S > - 0 0 42 -2,-0.2 4,-2.4 1,-0.1 3,-0.3 -0.832 32.8-100.5-123.6 162.3 27.6 41.0 3.5 17 17 A R H > S+ 0 0 88 -2,-0.3 4,-2.5 1,-0.3 5,-0.2 0.832 125.9 54.7 -49.3 -31.2 26.4 37.6 2.2 18 18 A D H > S+ 0 0 122 2,-0.2 4,-2.3 1,-0.2 -1,-0.3 0.929 104.4 49.0 -70.8 -46.8 27.7 38.9 -1.1 19 19 A D H > S+ 0 0 30 -3,-0.3 4,-2.0 1,-0.2 -2,-0.2 0.890 115.0 47.6 -59.6 -39.1 31.2 39.7 0.1 20 20 A L H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 5,-0.2 0.952 109.9 49.3 -67.2 -51.6 31.4 36.2 1.7 21 21 A N H X S+ 0 0 51 -4,-2.5 4,-2.6 -5,-0.2 5,-0.2 0.862 110.6 53.7 -56.0 -36.6 30.1 34.3 -1.3 22 22 A L H X S+ 0 0 32 -4,-2.3 4,-2.4 2,-0.2 5,-0.2 0.951 108.4 48.1 -62.8 -50.1 32.6 36.2 -3.4 23 23 A V H X S+ 0 0 0 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.919 114.2 46.3 -57.3 -47.2 35.5 35.1 -1.1 24 24 A L H X S+ 0 0 2 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.908 111.1 50.8 -64.5 -43.5 34.4 31.5 -1.1 25 25 A A H X S+ 0 0 43 -4,-2.6 4,-1.7 1,-0.2 -1,-0.2 0.917 114.2 45.4 -59.4 -43.4 33.9 31.3 -4.9 26 26 A T H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 5,-0.2 0.872 108.4 57.7 -66.4 -37.8 37.3 32.8 -5.4 27 27 A A H X S+ 0 0 0 -4,-2.3 4,-1.8 -5,-0.2 -2,-0.2 0.921 108.2 46.6 -58.2 -44.0 38.6 30.3 -2.8 28 28 A A H X S+ 0 0 50 -4,-2.4 4,-1.4 2,-0.2 -1,-0.2 0.819 111.5 50.3 -68.9 -34.4 37.3 27.5 -4.9 29 29 A K H X S+ 0 0 90 -4,-1.7 4,-3.0 2,-0.2 -2,-0.2 0.911 112.1 47.2 -71.7 -42.3 38.8 28.9 -8.2 30 30 A L H < S+ 0 0 3 -4,-2.6 -2,-0.2 2,-0.2 -1,-0.2 0.832 109.2 53.4 -68.2 -32.7 42.2 29.3 -6.6 31 31 A K H < S+ 0 0 81 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.898 113.7 45.8 -67.1 -36.0 42.1 25.9 -5.1 32 32 A A H < S+ 0 0 72 -4,-1.4 -2,-0.2 1,-0.2 -1,-0.1 0.962 130.6 14.4 -70.3 -54.8 41.4 24.6 -8.6 33 33 A N S < S- 0 0 85 -4,-3.0 -1,-0.2 -5,-0.1 -2,-0.1 -0.823 81.3-144.6-131.6 96.5 44.0 26.6 -10.5 34 34 A P - 0 0 89 0, 0.0 -3,-0.1 0, 0.0 32,-0.1 -0.107 0.1-149.7 -54.2 147.6 46.8 28.3 -8.4 35 35 A Q > - 0 0 44 1,-0.1 3,-2.1 30,-0.1 4,-0.3 -0.668 12.0-173.6-128.1 77.1 48.2 31.6 -9.5 36 36 A P T 3 S+ 0 0 83 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.537 82.2 31.5 -41.3 -26.8 51.9 31.7 -8.3 37 37 A E T > S+ 0 0 117 1,-0.1 3,-2.3 30,-0.1 29,-0.1 0.222 77.3 115.5-124.3 13.9 52.6 35.3 -9.2 38 38 A L T < S+ 0 0 30 -3,-2.1 29,-0.2 1,-0.3 -1,-0.1 0.865 92.6 32.7 -51.5 -36.3 49.3 37.0 -8.6 39 39 A L T > S+ 0 0 2 27,-3.2 3,-1.8 -4,-0.3 -1,-0.3 -0.001 85.2 153.4-111.0 28.2 50.9 39.0 -5.8 40 40 A K T < + 0 0 100 -3,-2.3 28,-0.2 1,-0.3 3,-0.1 -0.317 68.9 18.4 -57.7 135.6 54.4 39.3 -7.3 41 41 A H T 3 S+ 0 0 164 26,-0.6 2,-0.3 1,-0.3 -1,-0.3 0.518 95.0 122.6 79.6 6.9 56.1 42.4 -5.9 42 42 A K < - 0 0 61 -3,-1.8 27,-2.9 25,-0.2 2,-0.5 -0.779 47.3-154.8-100.2 145.4 53.9 42.9 -3.0 43 43 A V E -b 69 0A 47 -2,-0.3 57,-2.9 25,-0.2 58,-0.7 -0.978 10.7-167.2-123.0 118.9 55.2 43.0 0.6 44 44 A I E -bc 70 101A 0 25,-3.1 27,-2.7 -2,-0.5 2,-0.5 -0.862 15.7-136.1-108.3 138.0 52.9 42.1 3.4 45 45 A A E -bc 71 102A 2 56,-2.4 58,-2.6 -2,-0.4 2,-0.7 -0.780 11.7-161.2 -91.2 130.9 53.5 42.7 7.2 46 46 A S E +bc 72 103A 1 25,-3.3 27,-1.4 -2,-0.5 2,-0.7 -0.923 16.7 179.0-113.1 100.2 52.6 39.7 9.4 47 47 A C E +bc 73 104A 5 56,-3.3 58,-1.7 -2,-0.7 2,-0.7 -0.821 7.3 175.3-113.2 98.0 52.2 41.2 12.8 48 48 A F E + c 0 105A 1 25,-2.5 58,-0.2 -2,-0.7 4,-0.1 -0.872 13.6 171.1-105.0 114.6 51.2 38.9 15.6 49 49 A F S S+ 0 0 20 56,-3.0 2,-0.3 -2,-0.7 57,-0.2 0.248 75.1 47.6 -96.8 7.7 51.2 40.3 19.2 50 50 A E S S- 0 0 33 55,-0.3 55,-0.1 56,-0.1 0, 0.0 -0.944 102.8 -75.6-143.6 159.7 49.6 37.1 20.4 51 51 A A + 0 0 81 -2,-0.3 2,-0.3 5,-0.0 -2,-0.1 -0.153 53.5 159.7 -61.6 153.2 50.4 33.4 19.9 52 52 A S + 0 0 30 22,-0.1 -4,-0.0 -4,-0.1 53,-0.0 -0.903 26.6 166.4-173.9 141.7 49.6 31.6 16.7 53 53 A T S > S+ 0 0 88 -2,-0.3 4,-1.5 3,-0.1 5,-0.2 0.628 88.2 28.6-120.7 -58.8 50.4 28.5 14.7 54 54 A R H >>S+ 0 0 86 3,-0.2 4,-3.7 2,-0.2 5,-0.6 0.969 119.7 49.0 -71.4 -57.8 47.7 28.1 12.0 55 55 A T H >5S+ 0 0 10 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.949 120.5 35.8 -50.9 -57.1 46.6 31.7 11.4 56 56 A R H >5S+ 0 0 56 1,-0.2 4,-3.1 2,-0.2 5,-0.3 0.970 122.4 43.9 -65.3 -51.5 50.1 33.1 11.0 57 57 A L H X5S+ 0 0 79 -4,-1.5 4,-2.2 2,-0.2 -2,-0.2 0.896 117.3 44.4 -63.4 -39.9 51.6 30.1 9.2 58 58 A S H X5S+ 0 0 14 -4,-3.7 4,-2.9 -5,-0.2 -1,-0.2 0.964 115.0 50.7 -67.6 -46.2 48.7 29.5 6.9 59 59 A F H XS+ 0 0 0 -4,-2.0 5,-2.5 1,-0.2 -1,-0.2 0.874 112.0 44.7 -58.8 -36.4 51.4 35.1 0.7 64 64 A H H ><5S+ 0 0 113 -4,-1.6 3,-2.6 3,-0.2 -2,-0.2 0.907 105.1 59.7 -75.4 -41.7 54.2 33.0 -0.7 65 65 A R H 3<5S+ 0 0 152 -4,-2.7 -1,-0.2 1,-0.3 -27,-0.2 0.796 110.2 45.7 -55.4 -27.0 51.8 30.8 -2.8 66 66 A L T 3<5S- 0 0 0 -4,-1.4 -27,-3.2 -5,-0.2 -1,-0.3 0.249 121.8-107.2-100.9 12.2 50.8 34.0 -4.5 67 67 A G T < 5S+ 0 0 26 -3,-2.6 -26,-0.6 1,-0.2 -3,-0.2 0.462 73.2 136.5 80.5 0.7 54.3 35.3 -4.9 68 68 A A < - 0 0 3 -5,-2.5 2,-0.3 -6,-0.2 -1,-0.2 -0.261 50.2-122.1 -77.7 167.5 54.2 38.0 -2.2 69 69 A S E -b 43 0A 62 -27,-2.9 -25,-3.1 -30,-0.2 2,-0.4 -0.814 20.7-142.0-108.6 153.0 56.9 38.8 0.3 70 70 A V E +b 44 0A 37 -2,-0.3 2,-0.3 -27,-0.2 -25,-0.2 -0.956 21.2 168.8-124.1 131.2 56.5 38.7 4.1 71 71 A V E +b 45 0A 72 -27,-2.7 -25,-3.3 -2,-0.4 2,-0.3 -0.889 31.8 79.9-127.3 161.0 57.9 40.9 6.9 72 72 A G E -b 46 0A 52 -2,-0.3 2,-0.3 -27,-0.3 -25,-0.2 -0.953 61.7 -76.4 146.3-164.9 56.9 41.1 10.5 73 73 A F E -b 47 0A 44 -27,-1.4 -25,-2.5 -2,-0.3 3,-0.1 -0.993 7.5-158.6-142.8 147.5 57.1 39.6 14.0 74 74 A S S S+ 0 0 69 -2,-0.3 2,-0.3 1,-0.3 -22,-0.1 0.510 88.7 33.2-102.1 -7.3 55.6 36.6 15.7 75 75 A D > - 0 0 90 -26,-0.1 3,-0.8 -24,-0.1 -1,-0.3 -0.971 68.5-143.2-150.2 130.3 56.1 38.1 19.2 76 76 A S G > S+ 0 0 29 -2,-0.3 3,-1.3 1,-0.2 6,-0.5 0.541 79.2 97.3 -73.2 -6.0 56.0 41.7 20.3 77 77 A A G 3 S+ 0 0 32 1,-0.3 -1,-0.2 5,-0.1 -28,-0.0 0.830 91.6 34.7 -52.5 -39.0 58.8 41.2 22.9 78 78 A N G < S+ 0 0 140 -3,-0.8 -1,-0.3 4,-0.1 -2,-0.1 0.357 94.7 100.8-102.9 6.4 61.5 42.6 20.5 79 79 A T S <> S- 0 0 20 -3,-1.3 4,-1.2 -4,-0.1 3,-0.3 -0.389 87.4-113.0 -78.4 165.7 59.4 45.2 18.7 80 80 A S H > S+ 0 0 46 1,-0.2 4,-3.0 2,-0.2 6,-1.0 0.780 119.8 62.5 -73.4 -21.4 60.0 48.7 19.9 81 81 A L H 4 S+ 0 0 39 1,-0.2 4,-0.4 4,-0.2 -1,-0.2 0.847 105.8 47.1 -67.3 -33.0 56.4 48.6 21.2 82 82 A G H 4 S+ 0 0 36 -6,-0.5 -2,-0.2 -3,-0.3 -1,-0.2 0.771 129.0 18.9 -80.7 -27.2 57.6 45.8 23.5 83 83 A K H < S+ 0 0 144 -4,-1.2 -2,-0.2 -7,-0.1 -3,-0.2 0.578 126.2 44.8-119.2 -15.5 60.8 47.4 24.8 84 84 A K S < S- 0 0 164 -4,-3.0 -3,-0.2 -5,-0.2 -2,-0.1 0.268 102.8-111.2-116.7 14.1 60.5 51.1 24.2 85 85 A G + 0 0 71 -4,-0.4 -4,-0.2 1,-0.2 2,-0.2 0.742 56.2 165.4 66.8 25.8 57.0 51.9 25.3 86 86 A E - 0 0 66 -6,-1.0 -1,-0.2 1,-0.1 2,-0.1 -0.500 34.8-120.1 -76.3 142.0 55.7 52.7 21.8 87 87 A T > - 0 0 47 -2,-0.2 4,-1.9 1,-0.1 5,-0.1 -0.443 17.3-119.3 -79.4 155.3 51.9 52.9 21.3 88 88 A L H > S+ 0 0 2 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.847 112.7 60.4 -60.4 -35.2 50.1 50.6 18.9 89 89 A A H > S+ 0 0 0 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.945 107.5 42.3 -59.6 -50.5 49.0 53.7 16.9 90 90 A D H > S+ 0 0 87 2,-0.2 4,-2.2 1,-0.2 5,-0.3 0.840 111.9 56.3 -66.4 -34.0 52.5 54.8 16.2 91 91 A T H X S+ 0 0 12 -4,-1.9 4,-2.5 1,-0.2 5,-0.2 0.987 111.2 42.2 -61.4 -55.4 53.6 51.3 15.4 92 92 A I H X S+ 0 0 7 -4,-2.8 4,-1.6 1,-0.2 -1,-0.2 0.763 110.2 61.6 -63.6 -21.2 50.9 51.0 12.8 93 93 A S H < S+ 0 0 41 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.971 112.1 32.8 -69.5 -52.4 51.7 54.5 11.6 94 94 A V H >< S+ 0 0 63 -4,-2.2 3,-1.9 1,-0.2 -2,-0.2 0.908 117.2 56.3 -71.3 -39.6 55.3 53.7 10.5 95 95 A I H >X S+ 0 0 32 -4,-2.5 3,-2.1 -5,-0.3 4,-1.4 0.893 98.8 61.4 -58.2 -41.6 54.6 50.2 9.5 96 96 A S T 3< S+ 0 0 16 -4,-1.6 -1,-0.3 1,-0.3 26,-0.2 0.505 97.0 60.4 -66.9 -2.5 51.9 51.3 7.1 97 97 A T T <4 S+ 0 0 102 -3,-1.9 -1,-0.3 -4,-0.1 -2,-0.2 0.272 107.9 43.8-104.8 9.8 54.5 53.3 5.1 98 98 A Y T <4 S+ 0 0 159 -3,-2.1 2,-0.2 1,-0.1 -2,-0.2 0.694 108.2 50.3-116.4 -39.2 56.6 50.1 4.3 99 99 A V < - 0 0 9 -4,-1.4 -55,-0.2 1,-0.1 -1,-0.1 -0.629 64.5-133.3-111.3 165.6 54.1 47.5 3.3 100 100 A D S S+ 0 0 63 -57,-2.9 2,-0.3 1,-0.2 -56,-0.2 0.720 91.6 4.8 -84.4 -25.6 51.1 46.9 0.9 101 101 A A E -c 44 0A 0 -58,-0.7 -56,-2.4 21,-0.2 2,-0.4 -0.977 65.6-137.4-156.5 154.3 48.9 45.3 3.5 102 102 A I E -cd 45 124A 2 21,-2.6 23,-3.4 -2,-0.3 2,-0.5 -0.974 10.4-170.9-122.6 124.7 48.9 44.5 7.3 103 103 A V E +cd 46 125A 0 -58,-2.6 -56,-3.3 -2,-0.4 2,-0.4 -0.961 21.9 175.0-110.5 122.5 47.8 41.2 8.9 104 104 A M E -cd 47 126A 3 21,-2.0 23,-2.3 -2,-0.5 24,-0.5 -0.986 27.1-168.8-139.9 139.7 47.6 41.5 12.7 105 105 A R E +c 48 0A 23 -58,-1.7 -56,-3.0 -2,-0.4 -55,-0.3 -0.956 23.1 177.0-115.4 136.0 46.6 39.4 15.7 106 106 A H E - d 0 129A 11 22,-2.9 24,-2.8 -2,-0.4 -56,-0.1 -0.990 37.3-128.4-143.5 150.5 46.4 41.3 19.0 107 107 A P S S+ 0 0 43 0, 0.0 2,-0.4 0, 0.0 24,-0.1 0.651 87.3 73.1 -72.3 -16.3 45.4 40.5 22.6 108 108 A Q S > S- 0 0 48 22,-0.2 3,-1.6 23,-0.1 22,-0.2 -0.858 87.0-110.8-107.4 135.1 43.0 43.4 23.0 109 109 A E B 3 S+e 425 0B 5 315,-1.0 317,-2.6 -2,-0.4 343,-0.3 -0.265 101.7 22.9 -57.1 138.8 39.5 43.8 21.5 110 110 A G T 3> S+ 0 0 0 341,-0.4 4,-2.6 19,-0.3 -1,-0.2 0.438 80.6 124.8 85.2 -0.7 39.3 46.5 18.8 111 111 A A H <> S+ 0 0 0 -3,-1.6 4,-1.6 1,-0.2 -2,-0.1 0.904 76.0 47.2 -58.1 -44.4 43.1 46.5 18.0 112 112 A A H > S+ 0 0 1 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.899 111.0 51.6 -65.0 -40.4 42.4 45.8 14.3 113 113 A R H > S+ 0 0 42 1,-0.2 4,-0.7 2,-0.2 3,-0.3 0.941 107.9 53.7 -59.5 -46.9 39.8 48.5 14.1 114 114 A L H >< S+ 0 0 0 -4,-2.6 3,-0.6 1,-0.2 -1,-0.2 0.831 103.8 56.5 -55.7 -38.6 42.3 50.9 15.8 115 115 A A H >X S+ 0 0 0 -4,-1.6 3,-2.6 1,-0.2 4,-1.4 0.891 97.0 60.6 -63.9 -42.5 44.9 50.1 13.1 116 116 A T H 3< S+ 0 0 29 -4,-1.5 -1,-0.2 -3,-0.3 -2,-0.2 0.762 98.3 61.6 -59.2 -22.9 42.6 51.1 10.2 117 117 A E T << S+ 0 0 73 -4,-0.7 -1,-0.3 -3,-0.6 -2,-0.2 0.572 118.1 25.3 -80.4 -7.6 42.6 54.6 11.8 118 118 A F T <4 S+ 0 0 59 -3,-2.6 -2,-0.2 -4,-0.2 -1,-0.2 0.353 97.7 89.8-133.2 1.0 46.4 55.0 11.3 119 119 A S S >< S- 0 0 0 -4,-1.4 3,-2.0 1,-0.3 -3,-0.1 0.330 71.5-156.3 -84.3 7.1 47.1 52.7 8.4 120 120 A G T 3 - 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