==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE REGULATOR 24-JUN-04 1TUG . COMPND 2 MOLECULE: ASPARTATE CARBAMOYLTRANSFERASE CATALYTIC CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR K.STIEGLITZ,B.STEC,D.P.BAKER,E.R.KANTROWITZ . 926 4 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 42164.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 626 67.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 95 10.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 83 9.0 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 . 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 . 79 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 113 12.2 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 4 3 2 1 4 1 3 0 0 2 0 2 2 0 0 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 8 0 2 5 5 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 2 5 1 4 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 . 0 0 2 2 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 0 102 0, 0.0 306,-0.2 0, 0.0 305,-0.1 0.000 360.0 360.0 360.0 -47.1 36.5 47.0 -8.9 2 2 A N > - 0 0 22 304,-3.1 3,-1.4 1,-0.2 305,-0.0 -0.296 360.0-120.9 -58.9 139.9 36.1 43.9 -6.6 3 3 A P T 3 S+ 0 0 79 0, 0.0 -1,-0.2 0, 0.0 16,-0.1 0.756 111.3 45.8 -58.4 -21.3 33.9 45.0 -3.7 4 4 A L T > S+ 0 0 0 302,-0.1 3,-2.7 3,-0.1 -2,-0.1 0.562 78.1 133.8-101.1 -11.2 36.7 44.1 -1.2 5 5 A Y T < S- 0 0 87 -3,-1.4 298,-0.2 1,-0.3 299,-0.1 -0.165 87.9 -8.9 -44.7 118.3 39.6 45.8 -3.1 6 6 A Q T 3 S+ 0 0 93 297,-1.9 -1,-0.3 1,-0.2 2,-0.2 0.573 103.0 139.1 60.7 21.2 41.6 47.8 -0.6 7 7 A K < - 0 0 90 -3,-2.7 2,-0.3 295,-0.1 -1,-0.2 -0.501 54.1-116.8 -80.4 150.2 39.0 47.3 2.1 8 8 A H - 0 0 61 -2,-0.2 2,-0.6 115,-0.1 117,-0.2 -0.688 16.6-147.7 -86.4 142.5 39.9 46.6 5.7 9 9 A I B +a 125 0A 5 115,-1.6 117,-3.0 -2,-0.3 127,-0.1 -0.877 45.8 128.9-114.0 106.7 38.8 43.3 7.3 10 10 A I + 0 0 4 -2,-0.6 2,-0.4 1,-0.4 -1,-0.1 0.732 63.7 22.5-120.5 -52.8 38.0 43.8 11.0 11 11 A S > - 0 0 1 1,-0.1 3,-1.2 122,-0.1 -1,-0.4 -0.935 59.4-133.3-131.0 147.7 34.7 42.4 12.0 12 12 A I G > S+ 0 0 0 -2,-0.4 3,-1.8 1,-0.3 -1,-0.1 0.795 104.2 66.7 -68.3 -23.6 32.4 39.8 10.6 13 13 A N G 3 S+ 0 0 69 1,-0.3 -1,-0.3 -3,-0.0 0, 0.0 0.773 91.0 62.6 -73.2 -15.9 29.5 42.1 11.0 14 14 A D G < S+ 0 0 86 -3,-1.2 2,-0.4 2,-0.1 -1,-0.3 0.349 91.7 87.7 -85.5 4.5 30.9 44.4 8.3 15 15 A L < - 0 0 8 -3,-1.8 2,-0.2 -4,-0.1 -6,-0.0 -0.898 67.4-145.9-111.7 139.5 30.6 41.6 5.8 16 16 A S > - 0 0 48 -2,-0.4 4,-3.0 1,-0.1 5,-0.2 -0.494 31.7-110.0 -88.6 160.2 27.5 40.9 3.7 17 17 A R H > S+ 0 0 78 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.810 125.4 53.5 -61.3 -26.9 26.3 37.4 2.6 18 18 A D H > S+ 0 0 125 2,-0.2 4,-2.5 3,-0.1 3,-0.3 0.976 108.6 44.1 -67.8 -59.5 27.5 38.8 -0.8 19 19 A D H > S+ 0 0 19 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.891 114.3 54.5 -53.5 -39.0 31.0 39.7 0.4 20 20 A L H X S+ 0 0 0 -4,-3.0 4,-2.2 2,-0.2 -1,-0.2 0.901 108.2 45.2 -59.7 -46.2 31.1 36.4 2.2 21 21 A N H X S+ 0 0 56 -4,-1.6 4,-2.5 -3,-0.3 -1,-0.2 0.900 108.4 58.9 -70.4 -39.0 30.2 34.3 -0.9 22 22 A L H X S+ 0 0 44 -4,-2.5 4,-2.1 1,-0.2 5,-0.3 0.911 108.7 45.2 -49.9 -45.7 32.7 36.3 -2.9 23 23 A V H X S+ 0 0 0 -4,-1.9 4,-2.5 1,-0.2 -1,-0.2 0.952 112.1 50.0 -68.8 -46.0 35.5 35.2 -0.5 24 24 A L H X S+ 0 0 1 -4,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.830 111.0 51.9 -61.4 -30.5 34.4 31.6 -0.4 25 25 A A H X S+ 0 0 44 -4,-2.5 4,-2.0 2,-0.2 3,-0.4 0.987 110.8 43.2 -73.7 -53.8 34.3 31.6 -4.2 26 26 A T H X S+ 0 0 0 -4,-2.1 4,-3.1 1,-0.3 5,-0.2 0.880 111.6 58.4 -50.6 -41.9 37.8 32.9 -4.9 27 27 A A H X S+ 0 0 0 -4,-2.5 4,-1.6 -5,-0.3 -1,-0.3 0.903 106.3 47.2 -56.5 -44.6 39.0 30.7 -2.1 28 28 A A H X S+ 0 0 43 -4,-1.7 4,-0.9 -3,-0.4 -1,-0.2 0.839 112.2 50.0 -70.1 -33.2 37.6 27.7 -4.0 29 29 A K H >X S+ 0 0 71 -4,-2.0 4,-3.7 2,-0.2 3,-0.5 0.910 110.4 48.7 -68.1 -46.3 39.2 28.9 -7.2 30 30 A L H 3< S+ 0 0 3 -4,-3.1 -2,-0.2 1,-0.2 -1,-0.2 0.789 105.8 59.0 -65.8 -30.7 42.6 29.4 -5.6 31 31 A K H 3< S+ 0 0 82 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.804 118.2 30.9 -65.5 -32.4 42.4 25.9 -4.0 32 32 A A H << S+ 0 0 64 -4,-0.9 -2,-0.2 -3,-0.5 -3,-0.1 0.868 130.2 30.7 -93.2 -49.3 42.1 24.5 -7.6 33 33 A N S < S- 0 0 91 -4,-3.7 -1,-0.2 -5,-0.1 -2,-0.1 -0.710 83.5-151.2-122.6 83.4 44.1 26.8 -9.7 34 34 A P - 0 0 85 0, 0.0 -3,-0.1 0, 0.0 -4,-0.1 -0.051 10.9-157.6 -50.2 142.5 47.0 28.3 -7.7 35 35 A Q > + 0 0 70 -5,-0.1 3,-1.9 1,-0.1 4,-0.3 -0.662 16.5 174.0-121.3 75.0 48.4 31.7 -8.4 36 36 A P T 3 S+ 0 0 82 0, 0.0 -1,-0.1 0, 0.0 30,-0.1 0.471 80.5 39.6 -71.4 3.2 51.9 31.5 -6.8 37 37 A E T > S+ 0 0 131 3,-0.1 3,-1.2 2,-0.1 29,-0.1 0.270 79.2 112.0-134.6 16.5 53.0 34.9 -8.2 38 38 A L T < S+ 0 0 45 -3,-1.9 29,-0.2 1,-0.2 28,-0.1 0.930 87.7 32.9 -47.4 -56.7 49.8 36.8 -7.7 39 39 A L T > S+ 0 0 0 27,-2.9 3,-1.6 -4,-0.3 30,-0.3 0.044 84.0 155.1-102.3 27.8 51.2 39.1 -4.9 40 40 A K T < + 0 0 101 -3,-1.2 28,-0.2 26,-0.3 3,-0.1 -0.152 67.1 15.4 -48.5 144.4 54.8 39.3 -6.1 41 41 A H T 3 S+ 0 0 167 26,-0.5 2,-0.3 1,-0.2 -1,-0.2 0.331 97.5 119.3 70.3 -6.7 56.8 42.4 -5.0 42 42 A K < - 0 0 63 -3,-1.6 27,-2.3 25,-0.1 2,-0.5 -0.666 53.6-149.6 -81.8 144.0 54.2 43.2 -2.3 43 43 A V E -b 69 0A 45 -2,-0.3 57,-2.8 25,-0.2 58,-0.9 -0.964 12.5-168.7-120.1 120.8 55.4 43.3 1.3 44 44 A I E -bc 70 101A 0 25,-2.2 27,-2.7 -2,-0.5 2,-0.4 -0.787 13.6-137.8-106.6 145.8 53.0 42.3 4.0 45 45 A A E -bc 71 102A 2 56,-2.1 58,-2.7 -2,-0.3 2,-0.6 -0.905 4.8-158.5-108.4 141.3 53.5 42.7 7.7 46 46 A S E -bc 72 103A 0 25,-2.2 27,-1.3 -2,-0.4 2,-1.3 -0.831 16.1-177.9-117.4 82.1 52.5 40.0 10.2 47 47 A C E +bc 73 104A 2 56,-2.3 2,-1.8 -2,-0.6 58,-1.6 -0.603 6.9 175.3 -89.8 73.5 52.2 41.9 13.5 48 48 A F E +bc 74 105A 0 25,-1.9 27,-0.9 -2,-1.3 28,-0.3 -0.517 9.2 166.4 -78.9 86.7 51.3 39.4 16.2 49 49 A F S S+ 0 0 11 56,-2.0 27,-1.4 -2,-1.8 2,-0.4 0.806 81.3 42.6 -72.1 -16.1 51.4 41.6 19.2 50 50 A A S S- 0 0 23 55,-0.7 2,-0.2 -3,-0.2 -1,-0.1 -0.982 102.8-118.9-117.7 132.5 49.7 38.5 20.8 51 51 A A + 0 0 56 -2,-0.4 2,-0.1 23,-0.1 23,-0.1 -0.593 40.5 160.7 -84.6 146.3 51.2 35.2 19.8 52 52 A S > - 0 0 19 -2,-0.2 4,-3.4 53,-0.0 3,-0.5 -0.558 13.8-173.9-161.1 82.0 49.2 32.7 18.0 53 53 A T H > S+ 0 0 96 1,-0.2 4,-1.6 2,-0.2 5,-0.2 0.732 83.7 53.2 -41.8 -40.8 51.4 30.2 16.2 54 54 A R H > S+ 0 0 118 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.950 116.5 36.1 -73.8 -41.9 48.5 28.4 14.5 55 55 A T H > S+ 0 0 9 -3,-0.5 4,-2.2 2,-0.2 -2,-0.2 0.845 114.4 57.5 -74.2 -44.1 47.1 31.6 13.0 56 56 A R H X S+ 0 0 56 -4,-3.4 4,-2.1 1,-0.2 5,-0.2 0.896 109.8 42.8 -54.1 -50.3 50.4 33.1 12.3 57 57 A L H X S+ 0 0 84 -4,-1.6 4,-2.6 2,-0.2 5,-0.3 0.851 109.2 58.3 -68.0 -39.6 51.7 30.3 10.2 58 58 A S H X S+ 0 0 15 -4,-1.2 4,-2.7 -5,-0.2 -2,-0.2 0.962 111.7 41.6 -52.0 -54.8 48.4 29.9 8.4 59 59 A F H X S+ 0 0 0 -4,-2.2 4,-3.1 2,-0.2 -2,-0.2 0.872 113.5 50.4 -58.8 -49.4 48.7 33.5 7.2 60 60 A E H X S+ 0 0 43 -4,-2.1 4,-3.1 2,-0.2 5,-0.2 0.904 112.6 47.3 -65.2 -41.8 52.4 33.5 6.4 61 61 A T H X S+ 0 0 57 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.974 112.5 49.6 -62.0 -48.8 52.0 30.4 4.3 62 62 A S H X S+ 0 0 0 -4,-2.7 4,-0.8 -5,-0.3 -2,-0.2 0.919 112.4 50.5 -50.3 -44.6 49.0 32.0 2.6 63 63 A M H ><>S+ 0 0 0 -4,-3.1 5,-2.1 1,-0.2 3,-0.9 0.934 113.5 41.7 -58.1 -54.2 51.2 35.0 2.1 64 64 A H H ><5S+ 0 0 111 -4,-3.1 3,-0.6 1,-0.2 -1,-0.2 0.734 105.3 65.2 -65.2 -31.5 54.1 33.0 0.6 65 65 A R H 3<5S+ 0 0 162 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.699 106.9 42.4 -67.8 -23.6 51.8 30.8 -1.5 66 66 A L T <<5S- 0 0 0 -3,-0.9 -27,-2.9 -4,-0.8 -26,-0.3 0.323 123.4-108.7-103.1 0.2 50.8 34.0 -3.5 67 67 A G T < 5 + 0 0 25 -3,-0.6 -26,-0.5 1,-0.2 -3,-0.2 0.614 67.9 142.0 89.7 14.8 54.4 35.1 -3.6 68 68 A A < - 0 0 2 -5,-2.1 -1,-0.2 -28,-0.2 2,-0.2 -0.477 48.4-123.1 -81.7 155.6 54.4 38.1 -1.2 69 69 A S E -b 43 0A 77 -27,-2.3 -25,-2.2 -30,-0.3 2,-0.4 -0.602 27.2-143.2 -89.0 164.5 57.4 38.7 1.1 70 70 A V E +b 44 0A 35 -2,-0.2 2,-0.3 -27,-0.2 -25,-0.2 -0.993 21.0 177.0-133.3 130.8 56.7 39.0 4.9 71 71 A V E +b 45 0A 77 -27,-2.7 -25,-2.2 -2,-0.4 2,-0.3 -0.959 33.0 103.2-121.8 150.1 58.0 41.2 7.7 72 72 A G E -b 46 0A 49 -2,-0.3 2,-0.3 -27,-0.3 -25,-0.2 -0.986 47.3-112.0 172.5-168.6 56.7 41.0 11.3 73 73 A F E -b 47 0A 60 -27,-1.3 -25,-1.9 -2,-0.3 2,-0.3 -0.830 15.0-138.7-150.9 164.1 57.0 39.8 15.0 74 74 A S E +b 48 0A 62 -2,-0.3 -25,-0.1 1,-0.2 -23,-0.1 -0.979 66.4 6.4-133.9 138.5 55.5 37.5 17.5 75 75 A D - 0 0 95 -27,-0.9 2,-1.8 -2,-0.3 -1,-0.2 0.987 56.5-151.1 60.1 93.6 54.6 37.9 21.1 76 76 A S + 0 0 15 -27,-1.4 -1,-0.2 -28,-0.3 -27,-0.1 -0.446 30.1 160.4 -90.4 68.9 55.2 41.4 22.5 77 77 A A S S- 0 0 63 -2,-1.8 -1,-0.2 1,-0.2 -2,-0.1 0.882 90.2 -15.3 -58.2 -27.8 55.9 40.5 26.0 78 78 A N S S+ 0 0 110 -3,-0.2 2,-0.3 0, 0.0 -1,-0.2 -0.008 88.8 165.0-166.3 44.2 57.5 44.0 26.5 79 79 A T >> - 0 0 57 1,-0.1 3,-2.7 -30,-0.1 4,-2.1 -0.723 49.7-119.1 -87.8 128.7 58.1 45.2 22.9 80 80 A S H 3>>S+ 0 0 83 -2,-0.3 6,-1.6 1,-0.2 5,-1.3 0.698 107.8 47.8 -42.7 -28.3 58.8 48.7 22.7 81 81 A L H 345S+ 0 0 45 2,-0.2 10,-0.3 4,-0.1 -1,-0.2 0.616 124.4 29.2 -81.0 -12.4 55.3 49.7 20.3 82 82 A G H <45S+ 0 0 39 -3,-2.7 -2,-0.1 9,-0.1 6,-0.1 0.712 136.1 11.4-113.3 -47.1 52.9 47.7 22.5 83 83 A K H <5S+ 0 0 121 -4,-2.1 -3,-0.2 1,-0.1 -2,-0.2 0.138 112.1 59.0-129.8 4.7 54.1 47.6 26.0 84 84 A K T <5S- 0 0 167 -4,-1.1 -3,-0.1 -5,-0.5 -4,-0.1 0.844 120.2 -59.6 -94.7 -58.2 56.9 50.0 26.8 85 85 A G S - 0 0 38 -2,-0.2 4,-1.5 1,-0.1 5,-0.1 -0.378 15.9-125.5 -67.8 155.5 51.1 53.9 21.4 88 88 A L H > S+ 0 0 3 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.870 111.4 63.1 -66.6 -37.5 49.7 51.4 18.9 89 89 A A H > S+ 0 0 0 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.904 105.1 44.4 -51.7 -42.7 48.6 54.5 16.9 90 90 A D H > S+ 0 0 82 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.882 110.5 54.3 -77.8 -38.0 52.2 55.5 16.4 91 91 A T H X S+ 0 0 0 -4,-1.5 4,-3.8 -10,-0.3 5,-0.3 0.936 114.3 40.7 -52.5 -53.9 53.3 51.9 15.6 92 92 A I H X S+ 0 0 0 -4,-3.0 4,-2.5 2,-0.2 -2,-0.2 0.934 110.8 58.0 -67.0 -41.2 50.8 51.7 12.9 93 93 A S H < S+ 0 0 44 -4,-2.8 -1,-0.2 -5,-0.3 -2,-0.2 0.865 115.9 38.2 -51.1 -40.3 51.5 55.2 11.8 94 94 A V H >< S+ 0 0 60 -4,-2.2 3,-2.3 1,-0.2 4,-0.3 0.962 115.9 46.6 -79.4 -54.9 55.1 54.1 11.3 95 95 A I H >X S+ 0 0 19 -4,-3.8 3,-1.7 1,-0.3 4,-1.5 0.788 100.5 70.4 -62.9 -22.9 54.6 50.6 9.9 96 96 A S T 3< S+ 0 0 19 -4,-2.5 -1,-0.3 -5,-0.3 26,-0.2 0.611 93.7 56.9 -68.1 -8.0 52.0 51.9 7.4 97 97 A T T <4 S+ 0 0 106 -3,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.478 110.0 45.3 -97.6 -1.0 54.9 53.7 5.6 98 98 A Y T <4 S+ 0 0 169 -3,-1.7 2,-0.2 -4,-0.3 -2,-0.2 0.712 107.8 46.0-108.1 -36.0 56.7 50.4 5.1 99 99 A V < - 0 0 7 -4,-1.5 -55,-0.2 1,-0.1 23,-0.1 -0.665 60.7-135.2-122.8 172.8 54.2 47.8 3.9 100 100 A D S S+ 0 0 62 -57,-2.8 2,-0.3 1,-0.3 -56,-0.2 0.487 91.4 6.6 -98.6 -14.3 51.4 47.2 1.5 101 101 A A E -c 44 0A 0 -58,-0.9 -56,-2.1 21,-0.2 2,-0.4 -0.973 65.1-139.4-162.8 158.3 49.1 45.4 4.0 102 102 A I E -cd 45 124A 0 21,-2.3 23,-3.7 -2,-0.3 2,-0.5 -0.992 8.7-172.8-131.6 131.5 49.0 44.6 7.7 103 103 A V E +cd 46 125A 0 -58,-2.7 -56,-2.3 -2,-0.4 2,-0.4 -0.971 22.8 176.0-110.7 121.3 47.9 41.6 9.5 104 104 A M E -cd 47 126A 1 21,-2.5 23,-2.3 -2,-0.5 2,-0.4 -0.980 25.5-166.2-134.4 145.3 47.7 42.0 13.2 105 105 A R E +c 48 0A 37 -58,-1.6 -56,-2.0 -2,-0.4 -55,-0.7 -0.965 23.3 176.8-114.0 140.8 46.7 40.1 16.3 106 106 A H E - d 0 129A 16 22,-2.3 24,-2.3 -2,-0.4 5,-0.1 -1.000 38.3-131.0-149.1 143.7 46.3 42.1 19.5 107 107 A P S S+ 0 0 61 0, 0.0 2,-0.4 0, 0.0 24,-0.2 0.724 87.2 76.6 -66.3 -20.9 45.2 41.5 23.1 108 108 A Q S > S- 0 0 51 22,-0.2 3,-1.1 20,-0.1 4,-0.2 -0.776 83.7-118.8 -98.0 142.4 42.8 44.5 23.2 109 109 A E B 3 S+e 425 0B 7 315,-1.2 317,-1.7 -2,-0.4 343,-0.4 -0.448 99.4 24.1 -69.1 147.5 39.4 44.5 21.6 110 110 A G T 3> S+ 0 0 0 341,-0.5 4,-2.2 19,-0.3 -1,-0.2 0.472 85.9 121.7 77.7 6.2 38.9 47.2 18.9 111 111 A A H <> S+ 0 0 0 -3,-1.1 4,-2.0 2,-0.2 -2,-0.1 0.882 71.9 48.0 -73.4 -38.9 42.7 47.3 18.2 112 112 A A H > S+ 0 0 1 -4,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.895 112.2 52.0 -63.8 -42.1 42.6 46.4 14.5 113 113 A R H 4 S+ 0 0 40 1,-0.2 4,-0.4 2,-0.2 -2,-0.2 0.905 107.4 50.8 -65.7 -43.6 39.8 49.0 14.1 114 114 A L H >< S+ 0 0 0 -4,-2.2 3,-2.9 1,-0.2 4,-0.3 0.959 104.8 58.2 -53.7 -51.4 41.9 51.7 15.7 115 115 A A H >X S+ 0 0 0 -4,-2.0 3,-3.3 1,-0.3 4,-0.6 0.846 94.0 68.0 -41.7 -49.9 44.8 50.8 13.4 116 116 A T T 3< S+ 0 0 38 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.634 94.5 56.1 -44.5 -27.9 42.5 51.5 10.5 117 117 A E T <4 S+ 0 0 81 -3,-2.9 -1,-0.3 -4,-0.4 -2,-0.2 0.554 115.9 35.5 -91.3 -6.2 42.5 55.2 11.5 118 118 A F T <4 S+ 0 0 58 -3,-3.3 -2,-0.2 -4,-0.3 -22,-0.2 0.334 98.8 77.7-124.6 2.9 46.3 55.4 11.3 119 119 A S >< - 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