==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 12-OCT-06 2IPO . COMPND 2 MOLECULE: ASPARTATE CARBAMOYLTRANSFERASE CATALYTIC CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR J.P.CARDIA,J.ELDO,J.XIA,E.M.O'DAY,H.TSURUTA,E.R.KANTROWITZ . 928 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 39479.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 620 66.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 92 9.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 93 10.0 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 . 7 0.8 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 . 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 . 73 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 114 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 202 21.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 0.6 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 6 1 3 1 2 0 5 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 6 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 . 1 0 4 1 6 4 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 0 101 0, 0.0 306,-0.2 0, 0.0 305,-0.1 0.000 360.0 360.0 360.0 115.0 36.7 45.9 -9.0 2 2 A N > - 0 0 12 304,-2.2 3,-1.8 303,-0.2 305,-0.0 -0.219 360.0 -99.7 -61.2 155.8 35.2 42.9 -7.2 3 3 A P T 3 S+ 0 0 79 0, 0.0 -1,-0.1 0, 0.0 16,-0.1 0.763 121.1 42.1 -46.6 -37.3 33.0 43.6 -4.1 4 4 A L T > S+ 0 0 6 15,-0.1 3,-2.3 302,-0.1 -2,-0.1 0.435 78.4 136.3 -95.2 -1.7 35.8 42.9 -1.6 5 5 A Y T < S- 0 0 70 -3,-1.8 298,-0.2 1,-0.3 299,-0.2 -0.232 85.4 -8.1 -51.4 127.8 38.6 44.7 -3.4 6 6 A Q T 3 S+ 0 0 72 297,-2.4 -1,-0.3 1,-0.2 2,-0.3 0.672 101.5 144.1 56.7 23.4 40.7 46.7 -0.9 7 7 A K < - 0 0 112 -3,-2.3 2,-0.2 295,-0.1 -1,-0.2 -0.641 53.5-117.3 -93.5 145.9 38.1 46.1 1.9 8 8 A H - 0 0 68 -2,-0.3 2,-0.5 115,-0.1 117,-0.2 -0.561 19.2-153.3 -70.7 145.4 38.8 45.6 5.6 9 9 A I B +a 125 0A 1 115,-2.5 117,-2.5 -2,-0.2 127,-0.2 -0.726 44.6 132.6-123.6 79.7 37.7 42.2 6.9 10 10 A I + 0 0 3 -2,-0.5 2,-0.3 1,-0.3 -1,-0.1 0.852 64.8 10.7 -99.5 -41.5 37.1 42.8 10.5 11 11 A S > - 0 0 1 -3,-0.2 3,-2.1 123,-0.1 4,-0.3 -0.999 54.9-134.1-146.3 139.7 33.7 41.3 11.5 12 12 A I G > S+ 0 0 0 -2,-0.3 3,-1.2 1,-0.3 8,-0.1 0.729 105.0 74.1 -62.2 -19.5 31.2 38.9 9.8 13 13 A N G 3 S+ 0 0 62 1,-0.3 -1,-0.3 -3,-0.0 158,-0.0 0.774 96.3 48.6 -62.9 -26.6 28.6 41.4 11.0 14 14 A D G < S+ 0 0 93 -3,-2.1 2,-0.3 2,-0.1 -1,-0.3 0.462 99.5 85.1 -92.1 -5.0 29.9 43.7 8.2 15 15 A L < - 0 0 17 -3,-1.2 2,-0.2 -4,-0.3 -6,-0.0 -0.771 66.3-145.9-102.1 145.4 29.7 41.0 5.6 16 16 A S > - 0 0 48 -2,-0.3 4,-2.0 1,-0.1 3,-0.4 -0.647 33.4-102.2-103.9 164.2 26.7 40.0 3.5 17 17 A R H > S+ 0 0 109 1,-0.2 4,-2.1 -2,-0.2 5,-0.2 0.854 123.1 57.9 -51.0 -36.0 25.6 36.5 2.3 18 18 A D H > S+ 0 0 109 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.934 103.8 49.0 -62.4 -48.4 26.9 37.7 -1.1 19 19 A D H > S+ 0 0 26 -3,-0.4 4,-2.2 2,-0.2 -2,-0.2 0.927 109.9 51.8 -57.2 -48.2 30.5 38.4 0.1 20 20 A L H X S+ 0 0 1 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.942 111.0 47.5 -54.8 -49.7 30.7 35.1 1.8 21 21 A N H X S+ 0 0 55 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.841 108.0 56.5 -61.2 -34.9 29.7 33.3 -1.4 22 22 A L H X S+ 0 0 26 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.919 107.8 47.8 -63.7 -42.1 32.2 35.3 -3.4 23 23 A V H X S+ 0 0 2 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.944 114.1 45.5 -64.0 -48.2 35.0 34.1 -1.1 24 24 A L H X S+ 0 0 7 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.879 112.0 51.3 -64.1 -39.0 34.0 30.5 -1.3 25 25 A A H X S+ 0 0 44 -4,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.927 112.9 45.8 -63.4 -45.0 33.5 30.6 -5.1 26 26 A T H X S+ 0 0 0 -4,-2.2 4,-2.9 -5,-0.2 5,-0.2 0.900 109.4 56.5 -62.7 -41.4 36.9 32.1 -5.5 27 27 A A H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.921 107.5 47.5 -56.3 -47.6 38.3 29.5 -3.2 28 28 A A H X S+ 0 0 51 -4,-2.3 4,-1.7 1,-0.2 -1,-0.2 0.882 111.7 51.5 -63.2 -38.4 37.0 26.7 -5.3 29 29 A K H X S+ 0 0 74 -4,-1.9 4,-3.2 1,-0.2 -2,-0.2 0.929 111.8 45.4 -64.9 -46.1 38.4 28.4 -8.4 30 30 A L H < S+ 0 0 4 -4,-2.9 -2,-0.2 2,-0.2 -1,-0.2 0.845 109.4 54.9 -66.8 -35.2 41.9 28.8 -6.9 31 31 A K H < S+ 0 0 90 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.884 116.1 39.1 -65.4 -37.6 41.9 25.2 -5.6 32 32 A A H < S+ 0 0 70 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.911 133.6 21.5 -78.1 -45.5 41.2 23.9 -9.1 33 33 A N S < S- 0 0 107 -4,-3.2 -1,-0.2 -5,-0.2 -2,-0.2 -0.721 82.0-155.7-129.6 85.6 43.4 26.4 -10.9 34 34 A P - 0 0 84 0, 0.0 -3,-0.1 0, 0.0 32,-0.1 -0.228 5.5-150.6 -58.3 143.3 46.1 27.9 -8.7 35 35 A Q > - 0 0 65 1,-0.1 3,-1.7 30,-0.0 4,-0.3 -0.727 14.6-178.4-120.5 79.0 47.6 31.2 -9.7 36 36 A P T 3 S+ 0 0 75 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 0.689 82.9 35.8 -47.3 -32.1 51.2 31.2 -8.3 37 37 A E T > S+ 0 0 113 1,-0.1 3,-2.2 2,-0.1 29,-0.1 0.363 81.7 110.4-109.4 5.7 52.0 34.7 -9.5 38 38 A L T < S+ 0 0 35 -3,-1.7 29,-0.2 1,-0.3 -1,-0.1 0.846 90.7 30.8 -48.2 -42.9 48.7 36.4 -8.9 39 39 A L T > S+ 0 0 0 27,-3.0 3,-1.2 -4,-0.3 -1,-0.3 -0.021 84.9 146.9-109.3 31.1 50.0 38.5 -5.9 40 40 A K T < + 0 0 104 -3,-2.2 28,-0.2 1,-0.2 3,-0.1 -0.382 65.5 30.5 -66.4 144.7 53.6 38.9 -7.0 41 41 A H T 3 S+ 0 0 171 26,-0.6 2,-0.4 1,-0.3 -1,-0.2 0.568 94.8 120.7 81.5 11.1 55.2 42.2 -6.0 42 42 A K < - 0 0 57 -3,-1.2 27,-2.6 25,-0.3 2,-0.4 -0.827 46.6-162.5-105.9 145.4 53.0 42.3 -2.9 43 43 A V E -b 69 0A 50 -2,-0.4 57,-3.1 25,-0.2 58,-0.6 -0.998 11.4-170.4-127.1 125.4 54.4 42.5 0.6 44 44 A I E -bc 70 101A 0 25,-2.3 27,-1.9 -2,-0.4 2,-0.3 -0.967 17.8-131.9-123.5 133.7 52.0 41.5 3.5 45 45 A A E -bc 71 102A 2 56,-2.2 58,-2.6 -2,-0.4 2,-0.6 -0.621 10.2-162.1 -82.7 136.3 52.5 41.9 7.2 46 46 A S E +bc 72 103A 1 25,-2.5 27,-1.6 -2,-0.3 2,-0.9 -0.859 18.3 177.4-117.4 89.2 51.7 38.9 9.4 47 47 A C E +bc 73 104A 2 56,-3.0 58,-1.6 -2,-0.6 2,-0.7 -0.753 6.1 175.1-104.9 93.2 51.3 40.5 12.9 48 48 A F E + c 0 105A 2 25,-2.6 58,-0.2 -2,-0.9 28,-0.1 -0.836 12.0 173.8-101.5 110.2 50.3 38.1 15.6 49 49 A F S S+ 0 0 17 56,-3.2 2,-0.3 -2,-0.7 57,-0.2 0.295 74.2 43.5 -92.1 7.1 50.3 39.6 19.1 50 50 A E S S- 0 0 34 55,-0.3 55,-0.1 56,-0.1 0, 0.0 -0.962 102.7 -73.6-148.2 157.7 48.8 36.3 20.4 51 51 A A + 0 0 82 -2,-0.3 2,-0.2 5,-0.0 -2,-0.1 -0.091 54.1 154.8 -57.4 153.4 49.5 32.6 19.9 52 52 A S + 0 0 25 22,-0.1 -4,-0.0 -4,-0.1 5,-0.0 -0.835 24.0 173.7-178.2 136.2 48.6 30.7 16.8 53 53 A T S > S+ 0 0 85 -2,-0.2 4,-1.8 3,-0.1 5,-0.3 0.744 87.1 27.5-112.4 -61.8 49.5 27.7 14.6 54 54 A R H > S+ 0 0 55 3,-0.2 4,-2.8 2,-0.2 5,-0.5 0.932 119.9 52.4 -70.4 -46.1 47.0 27.2 11.8 55 55 A T H > S+ 0 0 1 2,-0.2 4,-1.7 1,-0.2 5,-0.2 0.944 118.5 34.5 -59.8 -49.6 45.8 30.8 11.4 56 56 A R H > S+ 0 0 53 2,-0.2 4,-2.6 3,-0.2 5,-0.2 0.963 122.2 45.0 -71.7 -49.0 49.3 32.3 11.0 57 57 A L H X S+ 0 0 81 -4,-1.8 4,-2.7 1,-0.2 5,-0.2 0.917 116.6 44.7 -60.9 -44.1 50.9 29.4 9.2 58 58 A S H X S+ 0 0 12 -4,-2.8 4,-2.6 -5,-0.3 -1,-0.2 0.925 112.7 52.5 -67.2 -41.5 48.1 28.9 6.7 59 59 A F H X S+ 0 0 0 -4,-1.7 4,-2.0 -5,-0.5 -2,-0.2 0.947 114.2 42.2 -58.2 -48.9 47.8 32.6 6.1 60 60 A E H X S+ 0 0 40 -4,-2.6 4,-2.3 2,-0.2 5,-0.2 0.903 112.0 53.6 -64.9 -42.6 51.5 32.8 5.3 61 61 A T H X S+ 0 0 54 -4,-2.7 4,-2.3 -5,-0.2 -1,-0.2 0.903 108.8 51.1 -59.1 -40.1 51.5 29.7 3.2 62 62 A S H X S+ 0 0 0 -4,-2.6 4,-1.3 2,-0.2 -1,-0.2 0.928 106.0 54.7 -62.2 -45.4 48.6 31.1 1.2 63 63 A M H ><>S+ 0 0 0 -4,-2.0 5,-2.6 1,-0.2 3,-0.6 0.925 111.8 43.6 -55.0 -45.9 50.6 34.3 0.7 64 64 A H H ><5S+ 0 0 110 -4,-2.3 3,-1.8 1,-0.2 -1,-0.2 0.880 106.0 62.4 -68.0 -35.9 53.5 32.3 -0.8 65 65 A R H 3<5S+ 0 0 157 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.784 109.0 43.0 -58.9 -27.4 51.1 30.2 -2.8 66 66 A L T <<5S- 0 0 0 -4,-1.3 -27,-3.0 -3,-0.6 -1,-0.3 0.314 123.3-102.4-102.0 6.4 50.1 33.4 -4.6 67 67 A G T < 5S+ 0 0 20 -3,-1.8 -26,-0.6 1,-0.2 -25,-0.3 0.639 74.5 134.4 86.0 15.5 53.6 34.8 -5.0 68 68 A A < - 0 0 4 -5,-2.6 2,-0.3 -28,-0.2 -1,-0.2 -0.486 49.6-124.4 -95.1 166.5 53.6 37.4 -2.3 69 69 A S E -b 43 0A 69 -27,-2.6 -25,-2.3 -30,-0.2 2,-0.4 -0.722 22.1-143.1-105.9 161.0 56.3 38.2 0.3 70 70 A V E +b 44 0A 33 -2,-0.3 2,-0.3 -27,-0.2 -25,-0.2 -0.949 20.6 169.6-129.8 143.2 55.8 38.2 4.0 71 71 A V E +b 45 0A 75 -27,-1.9 -25,-2.5 -2,-0.4 2,-0.3 -0.973 32.5 81.6-141.9 154.9 57.0 40.3 6.9 72 72 A G E -b 46 0A 53 -2,-0.3 2,-0.3 -27,-0.3 -25,-0.2 -0.995 59.8 -82.8 152.1-158.7 55.9 40.4 10.5 73 73 A F E -b 47 0A 42 -27,-1.6 -25,-2.6 -2,-0.3 3,-0.1 -0.991 3.6-152.1-151.6 153.4 56.2 38.8 13.9 74 74 A S S S+ 0 0 72 -2,-0.3 2,-0.3 1,-0.3 -22,-0.1 0.269 91.8 35.6-108.7 8.2 54.6 35.9 15.8 75 75 A D > - 0 0 70 -26,-0.1 3,-0.9 -24,-0.1 -1,-0.3 -0.881 63.6-150.0-163.4 125.7 55.2 37.6 19.2 76 76 A S G > S+ 0 0 27 -2,-0.3 3,-2.2 1,-0.2 6,-0.4 0.606 77.8 96.8 -74.3 -10.7 55.0 41.3 20.2 77 77 A A G 3 S+ 0 0 36 1,-0.3 -1,-0.2 5,-0.1 -28,-0.0 0.751 90.8 37.5 -51.1 -32.2 57.6 40.8 22.9 78 78 A N G < S+ 0 0 126 -3,-0.9 -1,-0.3 4,-0.1 -2,-0.1 0.293 97.4 96.9-106.8 12.1 60.4 42.0 20.7 79 79 A T S <> S- 0 0 23 -3,-2.2 4,-1.6 1,-0.1 3,-0.2 -0.345 90.2-106.1 -86.6 176.0 58.5 44.7 18.8 80 80 A S H > S+ 0 0 49 1,-0.2 4,-1.6 2,-0.2 6,-1.4 0.719 124.3 58.8 -76.4 -18.8 58.8 48.4 19.9 81 81 A L H 4 S+ 0 0 39 4,-0.2 -1,-0.2 3,-0.2 4,-0.2 0.744 109.3 47.4 -77.0 -22.3 55.3 48.0 21.3 82 82 A G H 4 S+ 0 0 34 -6,-0.4 -2,-0.2 -3,-0.2 -1,-0.2 0.828 128.3 16.9 -87.8 -34.4 56.7 45.3 23.4 83 83 A K H < S+ 0 0 158 -4,-1.6 -3,-0.2 -7,-0.1 -2,-0.2 0.471 129.7 41.6-118.6 -5.5 59.9 46.8 24.8 84 84 A K S < S- 0 0 170 -4,-1.6 -3,-0.2 -5,-0.2 -4,-0.1 0.363 104.4-112.1-123.3 3.3 59.5 50.6 24.3 85 85 A G + 0 0 68 1,-0.2 -4,-0.2 -4,-0.2 2,-0.2 0.792 52.0 171.6 72.1 31.5 55.9 51.1 25.2 86 86 A E - 0 0 60 -6,-1.4 -1,-0.2 1,-0.1 -2,-0.1 -0.500 33.3-115.4 -77.6 139.0 54.6 52.0 21.8 87 87 A T > - 0 0 41 -2,-0.2 4,-2.0 1,-0.1 5,-0.1 -0.309 19.3-121.6 -67.8 155.5 50.8 52.3 21.2 88 88 A L H > S+ 0 0 2 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.873 113.5 57.6 -64.5 -35.9 49.1 49.8 18.9 89 89 A A H > S+ 0 0 0 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.955 106.6 45.4 -59.5 -54.0 48.0 52.8 16.8 90 90 A D H > S+ 0 0 87 1,-0.2 4,-1.6 2,-0.2 5,-0.2 0.892 110.4 56.6 -58.3 -37.5 51.5 54.1 16.3 91 91 A T H X S+ 0 0 8 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.914 111.0 43.1 -59.5 -43.2 52.5 50.5 15.4 92 92 A I H X S+ 0 0 2 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.875 106.5 60.7 -71.9 -37.5 49.9 50.4 12.7 93 93 A S H < S+ 0 0 44 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.854 111.6 39.4 -60.0 -35.4 50.6 53.8 11.4 94 94 A V H >< S+ 0 0 60 -4,-1.6 3,-1.4 -5,-0.2 -1,-0.2 0.889 114.6 50.5 -82.6 -40.4 54.2 52.9 10.5 95 95 A I H >X S+ 0 0 23 -4,-1.8 4,-2.0 1,-0.3 3,-1.9 0.859 102.2 62.2 -66.3 -32.1 53.5 49.4 9.2 96 96 A S T 3< S+ 0 0 19 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.612 96.8 60.5 -69.9 -8.1 50.8 50.6 6.9 97 97 A T T <4 S+ 0 0 98 -3,-1.4 -1,-0.3 -5,-0.1 -2,-0.2 0.475 111.5 38.8 -94.1 -4.0 53.5 52.7 5.2 98 98 A Y T <4 S+ 0 0 165 -3,-1.9 -2,-0.2 -4,-0.2 2,-0.2 0.757 108.6 54.1-110.9 -41.8 55.4 49.5 4.2 99 99 A V < - 0 0 8 -4,-2.0 -55,-0.2 1,-0.1 3,-0.1 -0.523 63.6-135.8-102.7 168.1 52.9 46.8 3.3 100 100 A D S S+ 0 0 58 -57,-3.1 2,-0.3 1,-0.3 -56,-0.2 0.540 92.1 5.0 -92.3 -11.5 50.0 46.2 0.9 101 101 A A E -c 44 0A 1 -58,-0.6 -56,-2.2 21,-0.2 2,-0.5 -0.942 64.8-137.8-169.7 149.1 47.9 44.6 3.6 102 102 A I E -cd 45 124A 0 21,-2.7 23,-3.2 -2,-0.3 2,-0.5 -0.957 10.5-170.7-122.3 118.8 48.0 43.8 7.3 103 103 A V E +cd 46 125A 0 -58,-2.6 -56,-3.0 -2,-0.5 2,-0.4 -0.916 23.3 173.5-103.0 126.0 46.9 40.5 8.8 104 104 A M E -cd 47 126A 2 21,-2.3 23,-2.6 -2,-0.5 2,-0.4 -0.993 28.4-166.9-144.6 140.3 46.7 40.6 12.6 105 105 A R E -c 48 0A 1 -58,-1.6 -56,-3.2 -2,-0.4 -55,-0.3 -0.985 22.0-179.8-118.4 134.2 45.7 38.7 15.6 106 106 A H E - d 0 129A 15 22,-2.3 24,-2.9 -2,-0.4 -56,-0.1 -0.957 36.6-130.5-138.1 150.4 45.4 40.5 19.0 107 107 A P S S+ 0 0 36 0, 0.0 2,-0.3 0, 0.0 24,-0.2 0.707 88.3 74.8 -72.0 -21.1 44.6 39.6 22.6 108 108 A Q S > S- 0 0 55 22,-0.2 3,-1.1 23,-0.0 2,-0.3 -0.683 87.8-112.5 -95.2 147.3 42.1 42.6 22.9 109 109 A E B 3 S+e 425 0B 1 315,-2.1 317,-2.1 -2,-0.3 343,-0.3 -0.597 99.9 19.8 -76.3 135.4 38.7 42.8 21.4 110 110 A G T 3> S+ 0 0 0 -2,-0.3 4,-2.8 19,-0.3 -1,-0.2 0.470 79.4 124.6 87.7 4.7 38.4 45.4 18.7 111 111 A A H <> S+ 0 0 0 -3,-1.1 4,-2.6 1,-0.2 5,-0.1 0.837 75.7 51.8 -65.0 -33.2 42.1 45.7 17.9 112 112 A A H > S+ 0 0 1 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.911 110.4 48.3 -69.2 -41.3 41.5 45.0 14.2 113 113 A R H >> S+ 0 0 44 1,-0.2 4,-0.8 2,-0.2 3,-0.5 0.944 111.3 52.2 -61.1 -48.0 38.8 47.6 14.1 114 114 A L H >< S+ 0 0 0 -4,-2.8 3,-1.4 1,-0.2 -2,-0.2 0.921 106.3 52.8 -52.1 -50.7 41.3 50.0 15.8 115 115 A A H >X S+ 0 0 0 -4,-2.6 3,-1.5 1,-0.3 4,-0.8 0.791 99.1 62.3 -61.8 -29.1 44.0 49.3 13.3 116 116 A T H << S+ 0 0 24 -4,-1.4 -1,-0.3 -3,-0.5 -2,-0.2 0.777 98.4 59.2 -68.4 -21.8 41.7 50.1 10.3 117 117 A E T << S+ 0 0 78 -3,-1.4 -1,-0.3 -4,-0.8 -2,-0.2 0.461 115.7 32.3 -84.6 -0.7 41.5 53.6 11.8 118 118 A F T <4 S+ 0 0 59 -3,-1.5 -2,-0.2 -4,-0.2 -1,-0.2 0.330 100.7 79.7-133.4 3.4 45.3 54.1 11.5 119 119 A S S >< S- 0 0 1 -4,-0.8 3,-2.4 1,-0.3 -2,-0.1 0.256 71.8-159.6 -99.3 10.8 46.1 52.1 8.4 120 120 A G T 3 S- 0 0 63 1,-0.3 -1,-0.3 -4,-0.1 -2,-0.1 -0.167 72.0 -13.7 49.3-129.2 45.1 54.5 5.7 121 121 A N T 3 S+ 0 0 155 -25,-0.1 -1,-0.3 2,-0.1 -2,-0.0 0.512 110.9 106.3 -82.5 -4.3 44.5 52.8 2.4 122 122 A V S < S- 0 0 19 -3,-2.4 -21,-0.2 -26,-0.1 2,-0.1 -0.660 72.4-129.3 -79.7 118.0 46.1 49.6 3.7 123 123 A P - 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0 0 0 -4,-0.5 -4,-1.5 37,-0.1 -1,-0.3 -0.797 34.8-178.4-116.7 157.6 35.4 37.9 15.8 134 134 A H >> + 0 0 0 33,-0.5 3,-1.6 -2,-0.3 4,-1.6 -0.421 16.5 172.6-149.5 64.4 37.4 35.4 13.8 135 135 A P H 3> S+ 0 0 0 0, 0.0 4,-1.6 0, 0.0 3,-0.1 0.830 74.3 48.9 -46.0 -57.4 36.3 36.2 10.2 136 136 A T H 3> S+ 0 0 1 -10,-0.8 4,-1.8 1,-0.2 5,-0.2 0.690 107.3 58.4 -65.0 -16.7 38.7 34.0 8.2 137 137 A Q H <> S+ 0 0 5 -3,-1.6 4,-3.2 2,-0.2 -1,-0.2 0.955 105.0 49.2 -72.6 -50.2 37.8 31.0 10.5 138 138 A T H X S+ 0 0 0 -4,-1.6 4,-3.0 1,-0.2 -2,-0.2 0.832 109.3 54.6 -54.7 -36.7 34.2 31.3 9.6 139 139 A L H X S+ 0 0 1 -4,-1.6 4,-2.7 2,-0.2 -1,-0.2 0.967 111.4 40.9 -65.1 -53.4 35.1 31.4 5.9 140 140 A L H X S+ 0 0 4 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.900 115.1 54.8 -62.6 -37.6 37.1 28.2 6.0 141 141 A D H X S+ 0 0 0 -4,-3.2 4,-2.8 2,-0.2 -2,-0.2 0.960 109.7 45.3 -58.3 -52.0 34.4 26.7 8.2 142 142 A L H X S+ 0 0 0 -4,-3.0 4,-2.1 1,-0.2 5,-0.3 0.899 110.4 54.3 -58.7 -42.2 31.7 27.6 5.6 143 143 A F H X S+ 0 0 21 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.918 112.7 45.0 -58.6 -39.4 33.9 26.2 2.8 144 144 A T H X S+ 0 0 0 -4,-2.3 4,-1.8 2,-0.2 5,-0.3 0.905 108.9 53.4 -71.3 -43.3 34.1 23.0 4.8 145 145 A I H X S+ 0 0 1 -4,-2.8 4,-2.4 1,-0.2 6,-0.5 0.860 114.0 43.9 -60.9 -36.0 30.4 22.8 5.7 146 146 A Q H X S+ 0 0 78 -4,-2.1 4,-2.7 -5,-0.2 -1,-0.2 0.920 108.2 57.2 -73.8 -46.1 29.5 23.1 2.0 147 147 A E H < S+ 0 0 78 -4,-2.1 -2,-0.2 -5,-0.3 -1,-0.2 0.827 121.6 28.7 -53.4 -35.1 32.2 20.7 0.9 148 148 A T H < S+ 0 0 28 -4,-1.8 -1,-0.2 -5,-0.1 -2,-0.2 0.762 131.6 33.1 -99.8 -30.4 30.7 18.0 3.1 149 149 A Q H < S- 0 0 20 -4,-2.4 -3,-0.2 -5,-0.3 -2,-0.2 0.747 94.0-131.2 -97.6 -27.4 27.0 18.9 3.2 150 150 A G S < S+ 0 0 56 -4,-2.7 2,-0.3 -5,-0.4 -4,-0.2 0.480 79.0 45.7 89.4 4.2 26.6 20.4 -0.3 151 151 A R - 0 0 91 -6,-0.5 -2,-0.2 1,-0.0 -1,-0.1 -0.981 63.6-140.3-167.1 165.6 24.9 23.5 1.0 152 152 A L S S+ 0 0 5 -2,-0.3 2,-0.3 -3,-0.1 3,-0.2 0.224 81.5 70.2-118.4 9.8 25.0 26.3 3.6 153 153 A D S S+ 0 0 57 1,-0.2 28,-0.2 26,-0.1 29,-0.1 -0.900 88.3 24.9-128.6 156.3 21.2 26.5 4.2 154 154 A N S S+ 0 0 96 26,-2.4 2,-0.3 -2,-0.3 28,-0.3 0.916 84.1 140.8 58.8 48.2 18.7 24.2 5.9 155 155 A L - 0 0 1 -3,-0.2 28,-3.1 25,-0.2 2,-0.6 -0.868 53.1-130.9-119.6 152.6 21.2 22.5 8.1 156 156 A H E -f 183 0C 60 -2,-0.3 67,-2.7 26,-0.2 68,-1.6 -0.919 34.0-175.8-101.4 123.3 20.9 21.5 11.7 157 157 A V E -fg 184 224C 1 26,-3.0 28,-2.7 -2,-0.6 2,-0.5 -0.976 15.9-165.0-131.2 128.0 24.0 22.7 13.6 158 158 A A E -fg 185 225C 0 66,-2.4 68,-2.9 -2,-0.4 2,-0.6 -0.924 5.5-160.8-110.9 127.7 25.2 22.2 17.1 159 159 A M E -fg 186 226C 0 26,-2.9 28,-2.0 -2,-0.5 2,-0.3 -0.945 16.7-171.5-110.6 116.5 27.9 24.3 18.6 160 160 A V E +fg 187 227C 1 66,-2.7 68,-0.6 -2,-0.6 2,-0.4 -0.720 39.3 22.2-108.2 156.7 29.5 22.8 21.7 161 161 A G S S+ 0 0 8 26,-1.6 2,-0.9 -2,-0.3 68,-0.1 -0.793 108.3 4.2 103.7-138.7 32.0 24.1 24.3 162 162 A D > + 0 0 0 -2,-0.4 4,-0.8 1,-0.2 7,-0.2 -0.802 58.8 163.9 -94.6 99.8 32.8 27.6 25.3 163 163 A L T 4 + 0 0 0 29,-1.8 30,-0.2 -2,-0.9 -1,-0.2 0.693 66.9 64.7 -90.3 -20.5 30.4 29.9 23.4 164 164 A K T 4 S+ 0 0 73 28,-1.0 -1,-0.1 30,-0.2 29,-0.1 0.908 118.5 21.8 -68.0 -43.4 30.9 33.0 25.5 165 165 A Y T 4 S+ 0 0 25 27,-0.1 2,-0.8 29,-0.0 -1,-0.2 0.589 92.6 110.3-101.6 -16.5 34.5 33.5 24.6 166 166 A G X - 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