==== 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 14-AUG-92 1RAD . COMPND 2 MOLECULE: ASPARTATE CARBAMOYLTRANSFERASE CATALYTIC CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR R.P.KOSMAN,J.E.GOUAUX,W.N.LIPSCOMB . 926 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 41730.0 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 . 94 10.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 92 9.9 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 . 3 0.3 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 . 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 . 88 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 130 14.0 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 1 1 4 2 2 0 2 0 0 2 2 0 0 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 8 0 2 6 4 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 0 4 2 6 2 1 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 1 3 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 81 0, 0.0 306,-0.2 0, 0.0 305,-0.1 0.000 360.0 360.0 360.0 176.7 37.3 46.7 -8.7 2 2 A N > - 0 0 23 304,-2.8 3,-0.9 303,-0.3 305,-0.0 -0.332 360.0-104.0 -73.8 163.3 36.1 43.7 -6.8 3 3 A P T 3 S+ 0 0 83 0, 0.0 -1,-0.1 0, 0.0 16,-0.1 0.885 119.5 43.7 -58.6 -37.0 33.9 44.6 -3.8 4 4 A L T > S+ 0 0 0 15,-0.1 3,-2.4 2,-0.1 302,-0.0 0.529 78.0 136.6 -92.7 -1.1 36.6 43.9 -1.3 5 5 A Y T < S- 0 0 52 -3,-0.9 298,-0.2 1,-0.3 299,-0.1 -0.230 85.1 -6.9 -50.5 120.3 39.4 45.7 -3.1 6 6 A Q T 3 S+ 0 0 80 297,-1.8 -1,-0.3 1,-0.3 2,-0.2 0.571 102.4 143.1 67.3 16.4 41.4 47.8 -0.6 7 7 A K < - 0 0 71 -3,-2.4 2,-0.3 295,-0.1 -1,-0.3 -0.525 53.7-119.2 -86.2 154.8 38.9 47.1 2.1 8 8 A H - 0 0 55 -2,-0.2 2,-0.7 115,-0.1 3,-0.2 -0.696 18.7-150.3 -93.2 136.8 39.6 46.5 5.9 9 9 A I B +a 125 0A 0 115,-2.0 117,-2.4 -2,-0.3 127,-0.1 -0.845 45.7 130.8-114.5 89.8 38.6 43.1 7.2 10 10 A I + 0 0 3 -2,-0.7 2,-0.4 1,-0.3 -1,-0.2 0.785 60.9 21.4-112.9 -37.2 37.7 43.6 10.8 11 11 A S > - 0 0 0 -3,-0.2 3,-1.6 1,-0.1 -1,-0.3 -0.994 55.4-137.1-140.4 144.8 34.4 42.2 11.7 12 12 A I G > S+ 0 0 0 -2,-0.4 3,-1.3 1,-0.3 -1,-0.1 0.750 105.4 68.8 -70.3 -15.2 32.2 39.5 10.3 13 13 A N G 3 S+ 0 0 66 1,-0.3 -1,-0.3 -3,-0.1 158,-0.0 0.774 95.8 52.2 -70.8 -30.3 29.4 41.9 11.0 14 14 A D G < S+ 0 0 78 -3,-1.6 2,-0.5 2,-0.1 -1,-0.3 0.193 93.0 82.1 -86.6 1.9 30.6 44.3 8.3 15 15 A L S < S- 0 0 2 -3,-1.3 2,-0.1 -4,-0.1 -6,-0.0 -0.970 72.5-142.7-117.7 125.4 30.7 41.7 5.5 16 16 A S > - 0 0 55 -2,-0.5 4,-2.6 1,-0.1 5,-0.2 -0.284 31.2 -93.7 -73.3 172.2 27.4 40.9 3.7 17 17 A R H > S+ 0 0 90 1,-0.3 4,-2.6 2,-0.2 5,-0.2 0.911 126.8 48.5 -50.5 -48.7 26.1 37.6 2.5 18 18 A D H > S+ 0 0 114 2,-0.2 4,-2.5 1,-0.2 -1,-0.3 0.890 108.0 53.2 -68.9 -40.4 27.5 38.3 -1.0 19 19 A D H > S+ 0 0 21 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.972 110.8 48.6 -60.4 -43.8 30.9 39.4 0.3 20 20 A L H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.3 -2,-0.2 0.924 112.4 48.2 -59.7 -42.3 31.1 36.0 2.2 21 21 A N H X S+ 0 0 51 -4,-2.6 4,-2.3 1,-0.2 -1,-0.3 0.887 108.4 54.9 -68.0 -33.2 30.1 34.2 -0.9 22 22 A L H X S+ 0 0 49 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.904 109.2 47.1 -65.9 -42.8 32.7 36.0 -3.0 23 23 A V H X S+ 0 0 1 -4,-2.5 4,-3.1 1,-0.2 5,-0.2 0.959 112.9 48.0 -63.3 -46.2 35.4 35.0 -0.6 24 24 A L H X S+ 0 0 2 -4,-2.3 4,-1.3 1,-0.2 -2,-0.2 0.789 110.9 51.9 -65.9 -32.8 34.3 31.4 -0.6 25 25 A A H X S+ 0 0 47 -4,-2.3 4,-1.8 2,-0.2 -1,-0.2 0.942 110.7 47.0 -65.2 -52.2 34.0 31.4 -4.3 26 26 A T H >X S+ 0 0 2 -4,-2.5 4,-2.6 1,-0.2 3,-0.6 0.961 109.4 54.9 -56.0 -48.0 37.6 32.7 -4.8 27 27 A A H 3X S+ 0 0 1 -4,-3.1 4,-2.1 1,-0.3 -1,-0.2 0.842 104.7 52.8 -58.0 -35.5 39.0 30.2 -2.2 28 28 A A H 3X S+ 0 0 45 -4,-1.3 4,-2.0 -3,-0.2 -1,-0.3 0.916 112.5 46.2 -66.5 -35.8 37.5 27.3 -4.2 29 29 A K H + 0 0 60 30,-0.2 3,-1.8 1,-0.1 -5,-0.0 -0.601 11.6 178.7-126.0 82.2 48.5 31.4 -8.8 36 36 A P T 3 S+ 0 0 79 0, 0.0 -1,-0.1 0, 0.0 30,-0.1 0.313 75.1 48.4 -71.2 7.9 51.8 31.7 -7.0 37 37 A E T > S+ 0 0 140 3,-0.1 3,-1.1 1,-0.1 30,-0.1 0.152 74.6 110.7-130.2 20.0 53.0 35.0 -8.3 38 38 A L T < S+ 0 0 38 -3,-1.8 29,-0.2 1,-0.2 28,-0.1 0.880 89.0 31.2 -60.9 -38.7 49.8 37.0 -7.8 39 39 A L T > S+ 0 0 0 27,-3.3 3,-2.7 24,-0.2 30,-0.3 0.002 82.6 155.0-113.6 32.9 51.3 39.2 -4.9 40 40 A K T < S+ 0 0 99 -3,-1.1 28,-0.2 1,-0.3 3,-0.1 -0.389 72.0 18.2 -57.7 131.4 54.8 39.1 -6.3 41 41 A H T 3 S+ 0 0 155 26,-0.4 2,-0.3 1,-0.3 -1,-0.3 0.435 95.4 120.5 78.9 2.4 56.4 42.4 -5.0 42 42 A K < - 0 0 69 -3,-2.7 27,-2.4 25,-0.1 2,-0.5 -0.748 49.3-155.0 -88.0 145.7 53.9 42.9 -2.2 43 43 A V E -b 69 0A 48 -2,-0.3 57,-2.7 25,-0.2 58,-0.7 -0.993 10.4-167.0-115.5 125.1 55.3 43.0 1.4 44 44 A I E -bc 70 101A 0 25,-2.4 27,-2.0 -2,-0.5 2,-0.5 -0.863 14.6-135.5-107.6 146.5 52.8 42.1 4.1 45 45 A A E -bc 71 102A 3 56,-2.1 58,-2.4 -2,-0.3 2,-0.9 -0.902 7.0-158.3 -98.8 128.1 53.4 42.7 7.9 46 46 A S E -bc 72 103A 0 25,-2.4 27,-2.3 -2,-0.5 2,-1.3 -0.787 17.5-179.4-108.4 84.2 52.5 39.9 10.2 47 47 A C E +bc 73 104A 1 56,-2.2 58,-1.7 -2,-0.9 2,-1.4 -0.639 6.1 174.7 -86.3 85.6 52.1 41.8 13.5 48 48 A F E +bc 74 105A 0 25,-2.3 27,-0.7 -2,-1.3 58,-0.2 -0.608 9.6 169.7 -94.9 85.4 51.2 39.3 16.2 49 49 A F S S+ 0 0 22 56,-1.5 2,-0.4 -2,-1.4 57,-0.2 0.722 80.3 44.0 -64.0 -18.6 51.2 41.4 19.3 50 50 A E S S- 0 0 56 55,-1.1 2,-0.2 -3,-0.2 -1,-0.1 -0.998 100.6-115.3-123.5 136.0 49.7 38.2 20.8 51 51 A A + 0 0 46 24,-0.6 2,-0.2 -2,-0.4 23,-0.1 -0.491 40.9 157.2 -83.4 138.2 51.2 34.9 19.9 52 52 A S > - 0 0 19 -2,-0.2 4,-2.1 1,-0.1 5,-0.3 -0.812 15.8-172.1-147.8 106.6 49.4 32.2 17.9 53 53 A T H > S+ 0 0 95 -2,-0.2 4,-2.9 2,-0.2 5,-0.3 0.990 86.6 47.9 -67.4 -51.7 51.6 29.7 16.2 54 54 A R H > S+ 0 0 149 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.851 117.9 41.4 -53.8 -42.7 48.8 28.0 14.3 55 55 A T H > S+ 0 0 14 2,-0.2 4,-2.0 3,-0.1 -1,-0.2 0.879 114.2 51.4 -77.0 -37.2 47.3 31.3 13.0 56 56 A R H X S+ 0 0 66 -4,-2.1 4,-2.7 1,-0.2 3,-0.3 0.994 111.8 45.8 -68.8 -50.4 50.5 32.9 12.3 57 57 A L H X S+ 0 0 80 -4,-2.9 4,-2.0 -5,-0.3 -1,-0.2 0.806 110.5 53.6 -62.7 -28.0 51.8 30.0 10.2 58 58 A S H X S+ 0 0 16 -4,-1.3 4,-2.3 -5,-0.3 -1,-0.2 0.957 113.8 44.2 -69.4 -41.1 48.5 29.7 8.2 59 59 A F H X S+ 0 0 1 -4,-2.0 4,-2.2 -3,-0.3 -2,-0.2 0.929 114.4 45.7 -70.0 -50.4 48.7 33.4 7.4 60 60 A E H X S+ 0 0 37 -4,-2.7 4,-2.7 2,-0.2 -1,-0.2 0.848 111.8 52.4 -66.7 -33.6 52.3 33.5 6.5 61 61 A T H X S+ 0 0 55 -4,-2.0 4,-2.6 -5,-0.3 -2,-0.2 0.925 110.5 50.8 -65.0 -42.5 52.0 30.3 4.4 62 62 A S H < S+ 0 0 0 -4,-2.3 4,-0.5 2,-0.2 -2,-0.2 0.903 109.5 49.2 -53.9 -43.3 49.1 32.1 2.6 63 63 A M H ><>S+ 0 0 0 -4,-2.2 5,-2.3 1,-0.2 3,-1.4 0.969 114.7 45.6 -64.2 -47.7 51.2 35.1 2.0 64 64 A H H ><5S+ 0 0 105 -4,-2.7 3,-1.7 1,-0.3 -2,-0.2 0.832 103.3 59.5 -70.9 -31.7 54.0 32.9 0.6 65 65 A R T 3<5S+ 0 0 161 -4,-2.6 -1,-0.3 1,-0.3 -27,-0.2 0.564 108.0 49.5 -74.4 -5.1 51.8 30.7 -1.7 66 66 A L T < 5S- 0 0 0 -3,-1.4 -27,-3.3 -4,-0.5 -1,-0.3 0.129 124.1-108.9-110.0 16.3 50.8 33.9 -3.5 67 67 A G T < 5 + 0 0 29 -3,-1.7 -26,-0.4 1,-0.2 -3,-0.2 0.593 68.0 145.7 77.2 14.2 54.3 34.9 -3.7 68 68 A A < - 0 0 3 -5,-2.3 -1,-0.2 -6,-0.2 2,-0.2 -0.463 46.2-121.3 -84.7 160.4 54.4 37.7 -1.2 69 69 A S E -b 43 0A 68 -27,-2.4 -25,-2.4 -30,-0.3 2,-0.4 -0.618 25.9-147.3 -87.9 156.8 57.2 38.8 1.1 70 70 A V E +b 44 0A 38 -2,-0.2 2,-0.3 -27,-0.2 -25,-0.2 -0.980 23.0 168.1-135.9 131.0 56.7 38.9 5.0 71 71 A V E +b 45 0A 75 -27,-2.0 -25,-2.4 -2,-0.4 2,-0.3 -0.953 34.9 103.8-127.5 150.5 58.1 41.1 7.8 72 72 A G E -b 46 0A 45 -2,-0.3 2,-0.3 -27,-0.3 -25,-0.2 -0.986 44.8-132.4 169.6-160.4 56.6 40.9 11.2 73 73 A F E -b 47 0A 50 -27,-2.3 -25,-2.3 -2,-0.3 2,-0.3 -0.922 5.3-140.2-167.4 173.1 57.0 39.6 14.8 74 74 A S E -b 48 0A 37 -2,-0.3 2,-0.5 -27,-0.2 -25,-0.2 -0.889 25.9-136.8-136.3 171.1 55.1 37.7 17.6 75 75 A D + 0 0 39 -27,-0.7 -24,-0.6 -2,-0.3 2,-0.3 -0.887 41.7 136.7-151.7 114.3 55.4 38.6 21.3 76 76 A S S S- 0 0 91 -2,-0.5 3,-0.1 -26,-0.1 -2,-0.1 -0.912 95.8 -21.4-140.0 129.8 55.7 36.9 24.5 77 77 A A S S+ 0 0 109 -2,-0.3 2,-0.2 1,-0.2 -2,-0.0 0.760 123.7 73.7 40.7 50.4 58.3 38.6 26.9 78 78 A N + 0 0 117 1,-0.2 -1,-0.2 2,-0.0 -3,-0.1 -0.654 54.8 43.7-155.7-166.8 60.0 40.3 24.0 79 79 A T - 0 0 84 -2,-0.2 2,-0.6 -3,-0.1 -1,-0.2 0.380 68.9-103.8 -12.1 106.2 60.5 42.7 21.1 80 80 A S + 0 0 83 2,-0.1 6,-0.2 -5,-0.0 2,-0.1 0.047 69.5 112.2 0.6 -44.3 59.7 46.4 21.6 81 81 A L S S+ 0 0 63 -2,-0.6 2,-0.5 1,-0.2 7,-0.1 -0.341 91.1 13.2 -85.7 133.4 56.5 47.8 20.1 82 82 A G S > S+ 0 0 28 -2,-0.1 2,-2.3 5,-0.1 4,-1.2 -0.860 75.6 152.3 112.0 -72.1 53.9 48.8 22.4 83 83 A K T 4 S- 0 0 175 -2,-0.5 2,-0.2 2,-0.1 -2,-0.1 -0.393 77.2 -73.2 45.9 -71.7 56.4 48.6 25.5 84 84 A K T 4 S+ 0 0 198 -2,-2.3 3,-0.1 3,-0.0 -1,-0.0 -0.322 127.6 39.7 150.1 123.8 54.2 51.4 27.3 85 85 A G T 4 S+ 0 0 69 -2,-0.2 2,-1.2 1,-0.2 -2,-0.1 -0.417 92.6 95.0 109.6 -48.9 54.5 54.8 25.9 86 86 A E S < S- 0 0 62 -4,-1.2 -1,-0.2 -6,-0.2 5,-0.0 -0.565 74.1-145.4 -74.2 102.1 54.6 53.5 22.4 87 87 A T > - 0 0 30 -2,-1.2 4,-1.7 1,-0.1 3,-0.3 -0.243 17.3-125.2 -60.3 153.7 51.0 53.8 21.3 88 88 A L H > S+ 0 0 12 1,-0.2 4,-2.6 2,-0.2 3,-0.5 0.971 113.8 59.2 -62.6 -43.8 49.4 51.2 19.0 89 89 A A H > S+ 0 0 0 1,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.783 106.6 44.7 -50.3 -33.8 48.5 54.3 16.8 90 90 A D H > S+ 0 0 77 -3,-0.3 4,-1.8 2,-0.2 -1,-0.3 0.814 109.9 54.1 -87.1 -26.0 52.1 55.3 16.4 91 91 A T H X S+ 0 0 0 -4,-1.7 4,-3.3 -3,-0.5 5,-0.2 0.971 114.8 41.8 -67.3 -51.0 53.2 51.7 15.7 92 92 A I H X S+ 0 0 0 -4,-2.6 4,-3.3 1,-0.3 5,-0.2 0.960 111.2 54.8 -65.2 -54.7 50.7 51.5 12.9 93 93 A S H < S+ 0 0 46 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.806 115.2 41.6 -45.0 -38.2 51.4 55.0 11.7 94 94 A V H >< S+ 0 0 71 -4,-1.8 3,-2.1 -3,-0.2 4,-0.3 0.977 116.4 46.2 -76.9 -53.4 55.0 54.0 11.4 95 95 A I H >X S+ 0 0 19 -4,-3.3 3,-2.0 1,-0.3 4,-1.6 0.826 100.3 69.4 -63.2 -25.4 54.4 50.5 9.9 96 96 A S T 3< S+ 0 0 18 -4,-3.3 -1,-0.3 1,-0.3 25,-0.2 0.606 95.5 55.5 -67.0 -9.1 51.9 51.9 7.4 97 97 A T T <4 S+ 0 0 113 -3,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.489 111.4 43.8 -93.8 -8.8 54.8 53.7 5.6 98 98 A Y T <4 S+ 0 0 163 -3,-2.0 -2,-0.2 -4,-0.3 2,-0.2 0.785 108.4 49.3-103.9 -38.0 56.7 50.4 5.1 99 99 A V < - 0 0 8 -4,-1.6 -55,-0.2 1,-0.1 3,-0.1 -0.607 59.0-138.6-115.6 171.6 54.1 47.8 4.0 100 100 A D S S+ 0 0 64 -57,-2.7 2,-0.3 1,-0.2 -56,-0.2 0.575 90.7 6.9 -97.0 -18.7 51.4 47.0 1.6 101 101 A A E -c 44 0A 0 -58,-0.7 -56,-2.1 21,-0.2 2,-0.5 -0.972 63.0-142.8-158.4 154.7 49.0 45.2 4.0 102 102 A I E -cd 45 124A 0 21,-2.1 23,-3.0 -2,-0.3 2,-0.5 -0.965 9.4-173.4-126.1 117.3 48.9 44.6 7.9 103 103 A V E +cd 46 125A 0 -58,-2.4 -56,-2.2 -2,-0.5 2,-0.3 -0.957 25.0 176.7-100.4 127.1 47.6 41.3 9.3 104 104 A M E -cd 47 126A 1 21,-2.6 23,-3.0 -2,-0.5 24,-0.5 -0.984 28.4-168.8-137.5 150.3 47.4 41.8 13.1 105 105 A R E +c 48 0A 28 -58,-1.7 -56,-1.5 -2,-0.3 -55,-1.1 -0.998 21.4 170.5-132.1 130.3 46.4 39.9 16.3 106 106 A H E - d 0 129A 17 22,-2.2 24,-1.8 -2,-0.4 5,-0.1 -0.986 37.9-126.3-140.6 143.2 46.2 41.8 19.5 107 107 A P S S+ 0 0 55 0, 0.0 2,-0.4 0, 0.0 24,-0.1 0.503 87.0 73.3 -67.3 -11.1 44.8 41.1 23.0 108 108 A Q S > S- 0 0 53 22,-0.1 3,-1.2 23,-0.0 317,-0.2 -0.875 88.9-108.5-111.4 147.7 42.5 44.1 23.4 109 109 A E B 3 S+f 425 0B 6 315,-0.7 317,-1.5 -2,-0.4 318,-0.2 -0.350 98.1 20.4 -76.2 147.4 39.3 44.4 21.6 110 110 A G T 3> S+ 0 0 0 19,-0.3 4,-3.2 342,-0.2 -1,-0.2 0.534 80.7 125.6 75.7 5.0 38.9 46.8 18.7 111 111 A A H <> S+ 0 0 0 -3,-1.2 4,-2.4 2,-0.2 -2,-0.1 0.907 75.3 50.8 -62.8 -36.9 42.7 47.1 18.2 112 112 A A H > S+ 0 0 1 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.929 111.4 47.6 -68.4 -37.4 42.3 46.2 14.6 113 113 A R H > S+ 0 0 37 338,-0.2 4,-0.7 2,-0.2 -2,-0.2 0.919 109.5 51.8 -70.1 -42.0 39.6 48.9 14.3 114 114 A L H >< S+ 0 0 0 -4,-3.2 3,-1.9 1,-0.2 4,-0.3 0.965 108.2 55.4 -54.0 -46.6 41.8 51.5 16.0 115 115 A A H >X S+ 0 0 0 -4,-2.4 3,-2.8 1,-0.3 4,-1.8 0.892 94.7 64.9 -52.6 -50.2 44.5 50.5 13.5 116 116 A T H 3< S+ 0 0 33 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.748 97.6 57.8 -43.4 -25.3 42.3 51.2 10.5 117 117 A E T << S+ 0 0 72 -3,-1.9 -1,-0.3 -4,-0.7 -2,-0.2 0.550 115.3 34.1 -92.2 -2.9 42.3 54.9 11.5 118 118 A F T <4 S+ 0 0 50 -3,-2.8 -2,-0.2 -4,-0.3 -1,-0.2 0.565 95.2 82.1-123.5 -17.0 46.1 55.2 11.4 119 119 A S S >< S- 0 0 0 -4,-1.8 3,-2.0 1,-0.2 2,-0.4 0.443 77.3-149.4 -76.3 4.1 47.1 52.8 8.4 120 120 A G T 3 S- 0 0 66 1,-0.3 -1,-0.2 -4,-0.2 -23,-0.1 -0.442 73.2 -22.4 68.0-113.4 46.4 55.4 5.6 121 121 A N T 3 S+ 0 0 128 -2,-0.4 -1,-0.3 -25,-0.2 -2,-0.1 0.215 109.3 116.6-110.9 21.7 45.3 53.4 2.6 122 122 A V < - 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