==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 12-MAY-00 1EZZ . COMPND 2 MOLECULE: ASPARTATE CARBAMOYLTRANSFERASE CATALYTIC CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR L.JIN,B.STEC,E.R.KANTROWITZ . 926 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 44088.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 639 69.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 86 9.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 68 7.3 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 . 3 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 0.5 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 0.2 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 . 102 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 123 13.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 211 22.8 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 5 2 4 3 0 1 2 2 0 2 1 2 1 0 0 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 7 2 2 5 4 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 PARALLEL BRIDGES PER LADDER . 4 3 6 2 1 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 ANTIPARALLEL BRIDGES PER LADDER . 2 2 2 0 2 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 1 A A 0 0 120 0, 0.0 306,-0.2 0, 0.0 305,-0.1 0.000 360.0 360.0 360.0 99.1 -1.3 -27.6 45.5 2 2 A N - 0 0 32 304,-1.1 3,-0.4 1,-0.1 0, 0.0 -0.625 360.0-141.5 -89.3 146.6 -2.5 -26.7 42.0 3 3 A P S S+ 0 0 82 0, 0.0 -1,-0.1 0, 0.0 16,-0.1 0.695 90.5 65.2 -72.3 -29.7 -1.5 -28.6 38.8 4 4 A L > + 0 0 5 15,-0.1 3,-1.8 302,-0.1 302,-0.1 0.569 66.1 124.9 -81.1 -8.0 -1.2 -25.5 36.5 5 5 A Y T 3 S- 0 0 71 -3,-0.4 299,-0.2 1,-0.3 298,-0.2 -0.228 88.9 -9.5 -58.3 135.6 1.8 -23.6 38.1 6 6 A Q T 3 S+ 0 0 78 297,-2.6 -1,-0.3 1,-0.2 2,-0.2 0.661 109.3 123.5 50.2 21.9 4.7 -22.8 35.7 7 7 A K < - 0 0 115 -3,-1.8 2,-0.2 296,-0.1 -1,-0.2 -0.584 59.6-108.4-105.4 168.9 3.1 -25.1 33.1 8 8 A H - 0 0 46 -2,-0.2 2,-0.4 115,-0.1 117,-0.2 -0.655 12.4-156.2-103.5 159.9 2.0 -24.4 29.5 9 9 A I + 0 0 2 115,-1.8 117,-0.5 -2,-0.2 127,-0.1 -0.958 42.2 126.5-132.3 106.7 -1.4 -24.0 27.8 10 10 A I + 0 0 8 1,-0.5 2,-0.2 -2,-0.4 119,-0.1 0.626 64.2 24.3-128.0 -67.1 -1.2 -24.7 24.1 11 11 A S - 0 0 0 1,-0.1 -1,-0.5 122,-0.1 115,-0.1 -0.495 65.6-129.2-100.4 171.8 -3.7 -27.2 22.8 12 12 A I S > S+ 0 0 1 1,-0.2 3,-1.7 -2,-0.2 -1,-0.1 0.865 110.8 57.9 -86.2 -39.7 -7.0 -28.3 24.3 13 13 A N T 3 S+ 0 0 78 1,-0.3 -1,-0.2 -3,-0.0 158,-0.0 0.704 92.7 73.7 -60.9 -17.0 -6.1 -32.0 24.1 14 14 A D T 3 S+ 0 0 84 2,-0.1 -1,-0.3 0, 0.0 2,-0.2 0.202 94.3 67.7 -80.9 17.5 -3.2 -30.9 26.3 15 15 A L S < S- 0 0 17 -3,-1.7 2,-0.3 -6,-0.1 -3,-0.0 -0.724 73.0-123.8-129.1 179.9 -5.6 -30.6 29.2 16 16 A S > - 0 0 43 -2,-0.2 4,-2.6 1,-0.1 5,-0.4 -0.806 26.3-109.0-127.1 174.7 -7.8 -32.7 31.4 17 17 A R H > S+ 0 0 108 -2,-0.3 4,-1.3 1,-0.2 -1,-0.1 0.848 126.2 32.1 -66.3 -35.3 -11.2 -33.4 32.8 18 18 A D H > S+ 0 0 116 2,-0.2 4,-1.7 3,-0.1 -1,-0.2 0.745 110.8 64.6 -96.0 -21.0 -10.1 -32.1 36.1 19 19 A D H >> S+ 0 0 34 2,-0.2 4,-2.6 1,-0.2 3,-1.2 0.991 111.7 37.9 -60.3 -59.9 -7.7 -29.5 34.7 20 20 A L H 3X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.3 5,-0.3 0.977 112.9 58.6 -54.1 -55.3 -10.6 -27.8 33.2 21 21 A N H 3X S+ 0 0 60 -4,-1.3 4,-1.1 -5,-0.4 -1,-0.3 0.722 110.3 42.8 -48.2 -25.8 -12.6 -28.6 36.3 22 22 A L H X S+ 0 0 38 -4,-2.0 4,-1.5 -3,-0.2 3,-1.0 0.950 113.0 48.6 -73.3 -52.0 -16.3 -18.7 39.3 29 29 A K H >X S+ 0 0 85 -4,-2.3 4,-1.8 1,-0.3 3,-1.2 0.951 109.1 51.6 -52.7 -54.0 -14.5 -17.6 42.4 30 30 A L H 3< S+ 0 0 8 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.750 110.6 51.2 -58.1 -20.6 -12.6 -14.8 40.7 31 31 A K H <4 S+ 0 0 96 -3,-1.0 -1,-0.3 -4,-0.4 -2,-0.2 0.741 114.2 45.4 -86.6 -25.1 -16.0 -13.7 39.4 32 32 A A H << S+ 0 0 62 -4,-1.5 -2,-0.2 -3,-1.2 -3,-0.2 0.971 135.2 3.6 -79.6 -71.5 -17.4 -13.8 43.0 33 33 A N S < S- 0 0 132 -4,-1.8 -1,-0.2 277,-0.1 -2,-0.1 -0.521 91.2-149.0-120.3 68.5 -14.8 -12.1 45.2 34 34 A P - 0 0 67 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 0.107 8.7-133.4 -40.6 134.5 -12.1 -11.0 42.6 35 35 A Q > + 0 0 70 1,-0.1 3,-0.5 2,-0.0 4,-0.2 -0.800 27.7 175.2 -96.6 101.4 -8.4 -10.7 43.4 36 36 A P T 3 S+ 0 0 84 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 0.753 77.9 37.1 -77.9 -36.5 -7.2 -7.3 42.1 37 37 A E T > S+ 0 0 130 1,-0.2 3,-1.1 30,-0.1 30,-0.2 0.032 83.1 120.0-107.4 29.4 -3.6 -7.0 43.2 38 38 A L T < S+ 0 0 45 -3,-0.5 29,-0.2 1,-0.3 -1,-0.2 0.885 80.9 31.4 -57.4 -50.3 -3.1 -10.8 42.6 39 39 A L T > S+ 0 0 1 27,-4.0 3,-1.1 -3,-0.2 -1,-0.3 -0.334 82.7 160.7-109.9 51.0 -0.3 -10.4 40.0 40 40 A K T < + 0 0 106 -3,-1.1 28,-0.2 1,-0.2 3,-0.1 -0.465 69.6 13.1 -74.9 139.9 1.4 -7.2 41.3 41 41 A H T 3 S+ 0 0 160 26,-0.5 -1,-0.2 1,-0.3 2,-0.1 0.312 101.7 119.1 76.6 -7.6 4.9 -6.6 40.0 42 42 A K < - 0 0 71 -3,-1.1 27,-1.4 25,-0.1 2,-0.4 -0.457 51.3-150.6 -84.5 162.2 4.4 -9.3 37.4 43 43 A V E -a 69 0A 33 25,-0.2 57,-2.0 -2,-0.1 58,-1.4 -0.992 7.7-165.3-139.9 128.0 4.7 -8.6 33.7 44 44 A I E -ab 70 101A 0 25,-2.5 27,-1.4 -2,-0.4 2,-1.0 -0.944 12.6-147.3-121.1 119.0 2.9 -10.3 30.8 45 45 A A E -ab 71 102A 3 56,-1.7 58,-2.0 -2,-0.5 2,-1.2 -0.674 10.7-160.0 -81.6 98.9 4.0 -9.8 27.1 46 46 A S E -ab 72 103A 1 25,-2.1 27,-1.8 -2,-1.0 2,-0.8 -0.755 13.3-171.4 -82.8 101.3 0.9 -10.0 25.1 47 47 A C E +ab 73 104A 0 56,-3.3 58,-2.6 -2,-1.2 2,-0.9 -0.838 13.8 174.1 -98.4 99.0 2.4 -10.8 21.7 48 48 A F E +ab 74 105A 0 25,-2.4 27,-0.9 -2,-0.8 58,-0.2 -0.816 7.2 167.9-106.0 90.3 -0.2 -10.6 18.9 49 49 A F S S+ 0 0 28 56,-1.8 2,-0.6 -2,-0.9 57,-0.2 0.788 84.3 47.3 -66.2 -33.9 1.9 -11.1 15.7 50 50 A E S S- 0 0 67 55,-1.3 -1,-0.2 -3,-0.2 55,-0.0 -0.980 108.0-123.9-106.4 111.4 -1.4 -11.6 14.0 51 51 A A + 0 0 40 -2,-0.6 23,-0.1 1,-0.1 -2,-0.1 -0.308 40.3 164.3 -57.6 146.2 -3.5 -8.6 15.4 52 52 A S >> - 0 0 26 -4,-0.1 4,-1.8 1,-0.1 3,-1.1 -0.084 13.5-174.4-164.2 54.7 -6.7 -9.6 17.1 53 53 A T H 3> S+ 0 0 86 1,-0.3 4,-2.5 2,-0.2 5,-0.4 0.650 83.5 47.4 -16.7 -68.2 -8.3 -6.8 19.3 54 54 A R H 3> S+ 0 0 119 1,-0.3 4,-1.5 2,-0.2 5,-0.3 0.960 119.0 40.6 -53.9 -48.4 -11.2 -8.7 20.8 55 55 A T H <> S+ 0 0 14 -3,-1.1 4,-0.8 2,-0.1 -1,-0.3 0.754 124.6 42.2 -70.4 -20.7 -8.9 -11.7 21.8 56 56 A R H X S+ 0 0 62 -4,-1.8 4,-2.2 -3,-0.3 5,-0.4 0.948 108.3 53.1 -82.7 -72.8 -6.2 -9.2 22.8 57 57 A L H X S+ 0 0 98 -4,-2.5 4,-2.6 1,-0.2 -3,-0.2 0.769 112.5 47.6 -28.3 -55.2 -8.1 -6.4 24.6 58 58 A S H X S+ 0 0 19 -4,-1.5 4,-3.2 -5,-0.4 -1,-0.2 0.964 108.0 51.9 -57.7 -61.4 -9.7 -9.0 26.9 59 59 A F H X S+ 0 0 0 -4,-0.8 4,-2.7 1,-0.3 -1,-0.2 0.872 116.7 41.8 -44.6 -48.9 -6.5 -11.0 27.8 60 60 A E H X S+ 0 0 35 -4,-2.2 4,-3.0 2,-0.2 5,-0.4 0.899 108.7 59.6 -68.0 -39.2 -4.9 -7.7 28.8 61 61 A T H X S+ 0 0 58 -4,-2.6 4,-2.8 -5,-0.4 -2,-0.2 0.968 110.6 43.0 -52.4 -47.9 -8.1 -6.6 30.5 62 62 A S H X S+ 0 0 0 -4,-3.2 4,-3.0 2,-0.2 6,-0.2 0.987 113.0 52.9 -59.8 -60.0 -7.7 -9.6 32.7 63 63 A M H <>S+ 0 0 0 -4,-2.7 5,-1.4 1,-0.2 -2,-0.2 0.857 113.6 41.1 -37.0 -68.1 -4.0 -9.0 33.1 64 64 A H H ><5S+ 0 0 104 -4,-3.0 3,-1.8 1,-0.2 -1,-0.2 0.905 112.0 55.6 -51.9 -48.8 -4.4 -5.4 34.2 65 65 A R H 3<5S+ 0 0 159 -4,-2.8 2,-1.5 -5,-0.4 -1,-0.2 0.939 99.9 61.5 -49.7 -53.1 -7.3 -6.2 36.4 66 66 A L T 3<5S- 0 0 0 -4,-3.0 -27,-4.0 -5,-0.2 -1,-0.3 0.178 124.4-101.0 -64.7 25.0 -5.2 -8.8 38.2 67 67 A G T < 5S+ 0 0 27 -3,-1.8 -26,-0.5 -2,-1.5 -1,-0.2 0.389 89.1 120.4 73.4 -5.7 -2.8 -6.1 39.4 68 68 A A < - 0 0 5 -5,-1.4 2,-0.3 -6,-0.2 -1,-0.3 -0.373 53.1-140.8 -86.3 166.6 -0.4 -7.2 36.6 69 69 A S E -a 43 0A 52 -27,-1.4 -25,-2.5 -30,-0.2 2,-0.3 -0.839 13.1-128.8-124.3 165.6 1.0 -5.0 33.8 70 70 A V E -a 44 0A 34 -2,-0.3 2,-0.3 -27,-0.2 -25,-0.2 -0.820 18.5-178.2-122.9 156.1 1.6 -5.6 30.1 71 71 A V E +a 45 0A 69 -27,-1.4 -25,-2.1 -2,-0.3 2,-0.3 -0.921 44.4 86.8-136.2 149.9 4.4 -5.3 27.5 72 72 A G E -a 46 0A 50 -2,-0.3 2,-0.3 -27,-0.3 -25,-0.2 -0.989 51.9 -98.7 157.3-160.3 3.7 -6.3 23.9 73 73 A F E -a 47 0A 69 -27,-1.8 -25,-2.4 -2,-0.3 2,-0.4 -0.998 7.9-133.2-166.0 159.5 2.4 -5.6 20.4 74 74 A S E S-a 48 0A 49 -2,-0.3 -25,-0.2 -27,-0.1 -23,-0.1 -0.933 78.2 -1.1-116.7 140.7 -0.3 -5.7 17.7 75 75 A D S S- 0 0 107 -27,-0.9 2,-0.2 -2,-0.4 -25,-0.2 -0.065 74.1-130.6 65.6-179.0 0.4 -6.8 14.1 76 76 A S + 0 0 68 3,-0.0 -1,-0.1 1,-0.0 2,-0.1 -0.602 48.0 129.8-176.3 108.7 4.0 -7.6 13.2 77 77 A A - 0 0 57 -2,-0.2 4,-0.1 4,-0.1 -1,-0.0 -0.599 22.9-173.7-162.1 84.5 6.2 -6.5 10.3 78 78 A N S S- 0 0 165 2,-0.1 3,-0.1 -2,-0.1 2,-0.1 0.698 93.3 -28.7 -55.9 -17.9 9.6 -5.3 11.4 79 79 A T S S- 0 0 116 1,-0.6 2,-0.0 -3,-0.0 -3,-0.0 -0.139 119.9 -26.0-155.3 -90.2 9.8 -4.4 7.7 80 80 A S S S- 0 0 54 -2,-0.1 -1,-0.6 1,-0.1 2,-0.4 0.045 81.5 -58.7-115.1-144.9 7.8 -6.5 5.3 81 81 A L S S- 0 0 143 -4,-0.1 -4,-0.1 1,-0.1 -1,-0.1 -0.943 99.2 -26.1-115.2 129.0 6.4 -10.1 5.1 82 82 A G S S+ 0 0 93 -2,-0.4 -1,-0.1 1,-0.1 3,-0.1 0.539 89.5 141.0 44.1 28.3 8.6 -13.2 5.3 83 83 A K S S- 0 0 131 1,-0.2 2,-1.0 3,-0.0 -1,-0.1 -0.059 72.8 -58.3 -80.2-171.6 11.8 -11.7 4.1 84 84 A K S S+ 0 0 225 1,-0.0 2,-0.2 -2,-0.0 -1,-0.2 -0.609 96.2 116.6 -74.4 101.5 15.3 -12.5 5.4 85 85 A G - 0 0 62 -2,-1.0 2,-0.1 1,-0.1 -1,-0.0 -0.664 64.3 -34.4-145.2-155.8 14.6 -11.4 9.0 86 86 A E - 0 0 134 -2,-0.2 2,-0.2 1,-0.1 -1,-0.1 -0.405 55.6-129.1 -75.7 148.7 14.4 -12.6 12.6 87 87 A T > - 0 0 47 1,-0.1 4,-2.1 -2,-0.1 5,-0.1 -0.566 19.5-115.6 -91.0 165.2 13.1 -16.1 13.4 88 88 A L H > S+ 0 0 10 341,-0.4 4,-3.5 2,-0.2 5,-0.2 0.942 115.9 56.9 -66.9 -42.4 10.3 -16.7 15.9 89 89 A A H > S+ 0 0 0 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.944 110.5 44.1 -51.7 -52.0 12.7 -18.7 18.1 90 90 A D H > S+ 0 0 93 2,-0.2 4,-1.6 1,-0.2 5,-0.3 0.848 113.8 48.8 -62.2 -40.1 15.0 -15.7 18.3 91 91 A T H X S+ 0 0 23 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.980 115.4 47.5 -59.3 -52.2 12.1 -13.3 18.9 92 92 A I H X S+ 0 0 0 -4,-3.5 4,-1.0 1,-0.2 -2,-0.2 0.667 108.5 52.5 -61.1 -30.3 10.8 -15.7 21.6 93 93 A S H X S+ 0 0 42 -4,-1.8 4,-0.8 -5,-0.2 3,-0.3 0.969 112.1 42.4 -74.5 -58.1 14.1 -16.2 23.4 94 94 A V H >X S+ 0 0 72 -4,-1.6 3,-1.9 1,-0.2 4,-0.8 0.951 114.0 52.2 -53.1 -50.8 15.0 -12.5 23.9 95 95 A I H 3X S+ 0 0 15 -4,-2.3 4,-1.4 1,-0.3 3,-0.3 0.837 102.8 61.3 -57.4 -33.4 11.4 -11.7 25.0 96 96 A S H 3< S+ 0 0 19 -4,-1.0 -1,-0.3 -3,-0.3 -2,-0.2 0.697 93.5 63.2 -70.4 -17.4 11.5 -14.5 27.5 97 97 A T H << S+ 0 0 115 -3,-1.9 -1,-0.2 -4,-0.8 -2,-0.2 0.920 112.7 30.9 -73.3 -39.9 14.4 -13.0 29.5 98 98 A Y H < S+ 0 0 145 -4,-0.8 2,-0.2 -3,-0.3 -2,-0.2 0.694 106.6 70.7 -92.9 -23.5 12.6 -9.8 30.6 99 99 A V < - 0 0 8 -4,-1.4 -55,-0.2 1,-0.1 3,-0.1 -0.574 65.7-143.5 -90.7 163.0 8.9 -10.7 30.9 100 100 A D S S+ 0 0 59 -57,-2.0 2,-0.3 -2,-0.2 -56,-0.2 0.687 83.6 11.9 -96.5 -24.5 7.4 -12.9 33.6 101 101 A A E -b 44 0A 0 -58,-1.4 -56,-1.7 21,-0.2 2,-0.4 -0.936 67.8-136.5-145.4 166.9 4.8 -14.6 31.3 102 102 A I E +bc 45 124A 0 21,-1.8 23,-2.3 -2,-0.3 2,-0.6 -0.941 16.8 176.2-139.1 117.3 4.1 -14.9 27.6 103 103 A V E +bc 46 125A 0 -58,-2.0 -56,-3.3 -2,-0.4 2,-0.3 -0.962 20.9 173.8-116.9 105.9 0.7 -14.7 25.8 104 104 A M E -bc 47 126A 1 21,-1.3 23,-2.5 -2,-0.6 24,-0.5 -0.823 23.6-162.1-118.0 156.3 1.1 -14.9 22.0 105 105 A R E +bc 48 128A 12 -58,-2.6 -56,-1.8 -2,-0.3 -55,-1.3 -0.991 22.7 170.5-134.3 123.4 -1.3 -15.1 19.0 106 106 A H E - c 0 129A 19 22,-2.8 24,-0.7 -2,-0.4 4,-0.1 -0.895 39.6-132.9-137.3 160.0 0.2 -16.2 15.7 107 107 A P S S+ 0 0 49 0, 0.0 2,-0.5 0, 0.0 24,-0.2 0.123 83.2 83.0 -99.2 18.3 -1.1 -17.3 12.2 108 108 A Q S > S- 0 0 56 22,-0.1 3,-1.8 23,-0.0 4,-0.3 -0.979 86.5-111.8-129.8 122.3 1.0 -20.4 12.0 109 109 A E B 3 S+d 425 0B 3 315,-0.5 317,-1.6 -2,-0.5 318,-0.3 -0.220 101.9 16.6 -51.8 121.3 0.0 -23.7 13.5 110 110 A G T 3> S+ 0 0 0 19,-0.4 4,-3.2 342,-0.2 -1,-0.3 0.567 80.8 123.3 93.4 7.2 2.4 -24.6 16.4 111 111 A A H <> S+ 0 0 0 -3,-1.8 4,-2.4 2,-0.2 5,-0.2 0.977 80.3 48.0 -63.2 -50.4 3.9 -21.1 17.0 112 112 A A H > S+ 0 0 1 -4,-0.3 4,-1.3 1,-0.2 -1,-0.2 0.834 113.0 50.3 -55.6 -36.1 2.8 -21.2 20.6 113 113 A R H >> S+ 0 0 32 2,-0.2 4,-1.0 1,-0.2 3,-1.0 0.982 107.8 51.6 -65.5 -57.0 4.3 -24.7 20.8 114 114 A L H 3< S+ 0 0 0 -4,-3.2 4,-0.4 1,-0.3 -2,-0.2 0.822 103.8 58.1 -49.6 -37.5 7.6 -23.6 19.3 115 115 A A H >X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 3,-2.2 0.935 98.0 62.9 -61.1 -40.1 7.8 -20.9 21.8 116 116 A T H << S+ 0 0 50 -4,-1.3 -1,-0.2 -3,-1.0 -2,-0.2 0.886 99.6 52.8 -46.9 -47.6 7.6 -23.6 24.5 117 117 A E T 3< S+ 0 0 77 -4,-1.0 -1,-0.3 -3,-0.2 -2,-0.2 0.509 122.1 28.7 -73.3 -1.1 10.9 -25.1 23.2 118 118 A F T <4 S+ 0 0 64 -3,-2.2 -2,-0.2 -4,-0.4 -1,-0.2 0.538 97.3 83.5-133.7 -13.0 12.7 -21.9 23.5 119 119 A S S >< S- 0 0 0 -4,-2.3 3,-1.2 1,-0.2 -2,-0.1 0.162 72.8-147.0 -86.3 16.4 11.1 -19.8 26.3 120 120 A G T 3 - 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