==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-MAY-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 28-JUN-10 3NPM . COMPND 2 MOLECULE: ASPARTATE CARBAMOYLTRANSFERASE CATALYTIC CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR K.R.MENDES,E.R.KANTROWITZ . 307 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13030.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 213 69.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 43 14.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 21 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 45 14.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 88 28.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 2 0 1 0 1 1 1 0 1 0 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 0 2 2 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 0 PARALLEL BRIDGES PER LADDER . 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 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 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 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 2 A N > 0 0 54 0, 0.0 3,-1.3 0, 0.0 17,-0.0 0.000 360.0 360.0 360.0 88.4 5.3 33.9 -32.9 2 3 A P T 3 + 0 0 86 0, 0.0 16,-0.1 0, 0.0 303,-0.0 0.635 360.0 61.1 -65.2 -17.2 5.4 32.0 -29.6 3 4 A L T > + 0 0 0 302,-0.1 3,-2.6 2,-0.1 2,-0.1 0.564 70.0 126.9 -88.9 -10.5 9.2 31.6 -30.0 4 5 A Y T < S- 0 0 73 -3,-1.3 298,-0.2 1,-0.3 299,-0.2 -0.298 92.8 -12.8 -57.1 118.5 10.0 35.4 -30.0 5 6 A Q T 3 S+ 0 0 70 297,-2.6 -1,-0.3 1,-0.2 2,-0.2 0.642 99.3 152.1 63.6 17.6 12.6 36.0 -27.3 6 7 A K < - 0 0 64 -3,-2.6 2,-0.3 116,-0.1 -1,-0.2 -0.577 49.8-121.2 -78.2 137.8 12.0 32.6 -25.8 7 8 A H - 0 0 61 -2,-0.2 2,-0.7 115,-0.1 3,-0.2 -0.634 21.0-150.1 -69.1 136.2 14.8 30.8 -24.0 8 9 A I B +a 124 0A 2 115,-2.6 117,-3.2 -2,-0.3 127,-0.1 -0.799 47.4 129.8-114.1 88.8 15.5 27.5 -25.8 9 10 A I + 0 0 2 -2,-0.7 2,-0.3 1,-0.4 -1,-0.2 0.823 64.9 12.9-111.1 -48.0 16.8 25.3 -23.1 10 11 A S > - 0 0 12 -3,-0.2 3,-1.9 123,-0.1 -1,-0.4 -0.990 58.6-130.0-138.6 143.7 14.9 22.0 -23.1 11 12 A I G > S+ 0 0 0 -2,-0.3 3,-1.8 1,-0.3 -1,-0.1 0.807 109.0 71.9 -58.4 -27.4 12.6 20.2 -25.5 12 13 A N G 3 S+ 0 0 103 1,-0.3 -1,-0.3 -3,-0.0 158,-0.0 0.752 92.6 55.0 -57.5 -26.1 10.4 19.8 -22.4 13 14 A D G < S+ 0 0 59 -3,-1.9 2,-0.3 2,-0.1 -1,-0.3 0.483 97.3 79.9 -89.4 -4.0 9.7 23.6 -22.6 14 15 A L < - 0 0 10 -3,-1.8 2,-0.2 -4,-0.2 -6,-0.0 -0.804 68.6-141.3-109.3 147.1 8.5 23.4 -26.2 15 16 A S > - 0 0 48 -2,-0.3 4,-2.1 1,-0.1 5,-0.1 -0.571 31.7-106.9 -95.4 166.4 5.1 22.4 -27.5 16 17 A R H > S+ 0 0 94 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.870 123.7 54.4 -58.1 -37.2 4.4 20.4 -30.6 17 18 A D H > S+ 0 0 116 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.891 105.3 53.1 -64.0 -41.0 3.1 23.6 -32.2 18 19 A D H > S+ 0 0 18 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.931 111.0 46.8 -55.7 -47.7 6.4 25.3 -31.4 19 20 A L H X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.931 111.5 50.3 -62.7 -46.7 8.3 22.5 -33.1 20 21 A N H X S+ 0 0 58 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.858 107.9 54.6 -60.5 -36.6 6.0 22.6 -36.2 21 22 A L H X S+ 0 0 38 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.925 109.5 46.3 -63.6 -45.8 6.5 26.4 -36.4 22 23 A V H X S+ 0 0 3 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.919 113.7 48.9 -61.2 -44.2 10.3 26.0 -36.5 23 24 A L H X S+ 0 0 5 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.901 111.7 47.6 -64.9 -40.9 10.2 23.2 -39.1 24 25 A A H X S+ 0 0 51 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.906 113.6 48.4 -67.5 -39.9 7.8 25.1 -41.4 25 26 A T H X S+ 0 0 25 -4,-2.1 4,-2.6 -5,-0.2 -2,-0.2 0.896 110.2 51.8 -64.9 -41.5 10.0 28.2 -41.1 26 27 A A H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.913 109.6 49.3 -61.9 -44.1 13.1 26.2 -41.8 27 28 A A H X S+ 0 0 49 -4,-2.3 4,-1.6 2,-0.2 -2,-0.2 0.928 111.3 50.1 -60.4 -44.9 11.5 24.7 -44.9 28 29 A K H X S+ 0 0 156 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.914 112.1 46.4 -61.0 -43.7 10.5 28.2 -46.0 29 30 A L H < S+ 0 0 14 -4,-2.6 -1,-0.2 2,-0.2 -2,-0.2 0.848 106.6 58.5 -67.8 -34.8 14.1 29.5 -45.5 30 31 A K H < S+ 0 0 85 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.890 116.7 35.8 -59.1 -36.8 15.5 26.5 -47.3 31 32 A A H < S+ 0 0 69 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.800 132.7 24.3 -86.7 -32.0 13.4 27.6 -50.3 32 33 A N S < S- 0 0 106 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.1 -0.711 77.9-150.6-142.0 87.8 13.7 31.3 -49.9 33 34 A P - 0 0 85 0, 0.0 -3,-0.1 0, 0.0 32,-0.1 -0.113 3.2-153.7 -58.3 151.8 16.7 32.8 -48.0 34 35 A Q > - 0 0 90 30,-0.1 3,-1.8 1,-0.1 4,-0.3 -0.724 12.6-178.7-128.7 79.7 16.5 36.1 -46.1 35 36 A P T 3 S+ 0 0 86 0, 0.0 -1,-0.1 0, 0.0 3,-0.0 0.551 82.3 37.1 -58.0 -13.3 20.0 37.5 -46.0 36 37 A E T > S+ 0 0 130 1,-0.1 3,-1.7 2,-0.1 29,-0.1 0.273 76.7 111.3-126.4 8.3 19.0 40.5 -44.0 37 38 A L T < S+ 0 0 55 -3,-1.8 29,-0.2 1,-0.3 -1,-0.1 0.900 93.9 29.4 -49.4 -45.6 16.4 39.2 -41.6 38 39 A L T > S+ 0 0 1 27,-3.0 3,-1.9 -4,-0.3 -1,-0.3 0.028 83.2 151.9-110.0 26.9 18.8 39.7 -38.6 39 40 A K T < S+ 0 0 98 -3,-1.7 28,-0.2 1,-0.3 3,-0.1 -0.319 70.1 23.8 -55.9 137.8 20.8 42.6 -39.9 40 41 A H T 3 S+ 0 0 168 26,-0.6 2,-0.4 1,-0.3 -1,-0.3 0.571 94.5 122.2 76.0 10.4 22.1 44.7 -36.9 41 42 A K < - 0 0 68 -3,-1.9 27,-2.9 25,-0.2 2,-0.4 -0.826 45.9-160.4 -94.9 144.7 21.8 41.8 -34.5 42 43 A V E -b 68 0A 52 -2,-0.4 57,-3.2 25,-0.2 58,-0.6 -0.996 11.5-168.0-122.9 127.2 25.0 40.7 -32.6 43 44 A I E -bc 69 100A 0 25,-2.8 27,-2.2 -2,-0.4 2,-0.4 -0.899 17.3-128.4-121.5 141.8 24.9 37.2 -31.1 44 45 A A E -bc 70 101A 3 56,-2.8 58,-2.9 -2,-0.4 2,-0.7 -0.745 9.6-161.2 -89.9 132.6 27.2 35.5 -28.7 45 46 A S E +bc 71 102A 0 25,-2.9 27,-2.2 -2,-0.4 2,-0.9 -0.899 19.2 179.0-109.1 95.6 28.7 32.2 -29.6 46 47 A A E +bc 72 103A 0 56,-3.4 58,-1.9 -2,-0.7 2,-0.7 -0.758 3.2 175.3-109.8 89.1 29.7 31.0 -26.1 47 48 A F E + c 0 104A 1 25,-2.5 58,-0.2 -2,-0.9 4,-0.1 -0.837 14.6 172.2-104.7 113.3 31.3 27.5 -26.2 48 49 A F S S+ 0 0 17 56,-3.1 2,-0.3 -2,-0.7 27,-0.2 0.312 73.2 35.3 -98.5 1.2 32.7 26.1 -23.0 49 50 A E S S- 0 0 30 55,-0.2 55,-0.1 56,-0.1 0, 0.0 -0.962 103.0 -67.0-146.7 168.4 33.3 22.6 -24.5 50 51 A A + 0 0 87 -2,-0.3 2,-0.3 -3,-0.0 -2,-0.1 -0.057 53.3 161.5 -60.4 149.7 34.4 21.3 -27.9 51 52 A S + 0 0 30 22,-0.1 -4,-0.0 -4,-0.1 53,-0.0 -0.912 23.8 166.0-164.9 139.3 32.2 21.5 -31.0 52 53 A T S > S+ 0 0 87 -2,-0.3 4,-1.8 3,-0.1 5,-0.3 0.664 87.4 30.1-110.0 -64.7 32.5 21.4 -34.8 53 54 A R H > S+ 0 0 70 2,-0.2 4,-2.7 3,-0.2 5,-0.4 0.939 120.5 47.7 -60.7 -56.0 28.9 21.0 -36.2 54 55 A T H > S+ 0 0 6 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.941 117.7 38.4 -61.9 -49.6 27.0 22.9 -33.5 55 56 A R H > S+ 0 0 55 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.944 120.6 43.2 -67.8 -48.5 29.1 26.0 -33.3 56 57 A L H X S+ 0 0 80 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.872 116.0 48.0 -69.2 -35.9 30.0 26.4 -37.0 57 58 A S H X S+ 0 0 13 -4,-2.7 4,-2.4 -5,-0.3 -1,-0.2 0.911 113.4 48.7 -69.5 -41.7 26.4 25.7 -38.2 58 59 A F H X S+ 0 0 0 -4,-2.1 4,-2.1 -5,-0.4 -2,-0.2 0.945 114.6 44.6 -59.7 -48.6 25.0 28.1 -35.6 59 60 A E H X S+ 0 0 36 -4,-2.8 4,-2.2 2,-0.2 -2,-0.2 0.909 112.6 51.3 -65.9 -40.3 27.5 30.9 -36.7 60 61 A T H X S+ 0 0 55 -4,-2.4 4,-2.8 1,-0.2 -1,-0.2 0.937 109.2 51.7 -58.8 -45.2 27.0 30.2 -40.4 61 62 A S H X S+ 0 0 0 -4,-2.4 4,-1.1 1,-0.2 -1,-0.2 0.877 107.3 53.1 -59.2 -41.5 23.2 30.5 -39.8 62 63 A M H ><>S+ 0 0 0 -4,-2.1 5,-2.5 1,-0.2 3,-0.6 0.946 112.4 43.9 -57.7 -49.5 23.8 33.8 -38.0 63 64 A H H ><5S+ 0 0 109 -4,-2.2 3,-1.7 1,-0.2 -2,-0.2 0.880 106.3 60.1 -65.9 -39.2 25.7 35.2 -41.0 64 65 A R H 3<5S+ 0 0 161 -4,-2.8 -1,-0.2 1,-0.3 -27,-0.2 0.772 109.7 44.8 -59.0 -26.0 23.2 33.8 -43.5 65 66 A L T <<5S- 0 0 0 -4,-1.1 -27,-3.0 -3,-0.6 -1,-0.3 0.356 123.8-105.8 -98.9 3.1 20.6 36.0 -41.8 66 67 A G T < 5S+ 0 0 25 -3,-1.7 -26,-0.6 1,-0.3 -3,-0.2 0.479 73.7 136.2 89.8 3.5 22.9 39.0 -41.7 67 68 A A < - 0 0 2 -5,-2.5 -1,-0.3 -6,-0.2 2,-0.2 -0.462 48.5-127.0 -80.2 155.6 23.7 38.9 -37.9 68 69 A S E -b 42 0A 69 -27,-2.9 -25,-2.8 -30,-0.2 2,-0.4 -0.646 20.2-142.5 -98.5 164.2 27.2 39.4 -36.5 69 70 A V E +b 43 0A 33 -2,-0.2 2,-0.3 -27,-0.2 -25,-0.2 -0.973 20.3 171.4-133.8 134.2 29.0 37.1 -34.1 70 71 A V E +b 44 0A 73 -27,-2.2 -25,-2.9 -2,-0.4 2,-0.3 -0.966 34.0 82.6-132.0 154.1 31.2 37.4 -31.0 71 72 A G E -b 45 0A 53 -2,-0.3 2,-0.3 -27,-0.2 -25,-0.2 -1.000 58.4 -83.9 158.0-152.8 32.4 34.7 -28.7 72 73 A F E -b 46 0A 45 -27,-2.2 -25,-2.5 -2,-0.3 3,-0.1 -0.984 8.4-145.3-155.3 156.0 34.8 31.9 -27.9 73 74 A S S S+ 0 0 61 -2,-0.3 2,-0.3 1,-0.3 -22,-0.1 0.494 90.2 20.0-106.8 -10.7 35.3 28.2 -28.6 74 75 A D S > S- 0 0 72 -26,-0.1 3,-0.5 -24,-0.1 -1,-0.3 -0.982 70.1-127.3-153.2 160.3 36.9 27.4 -25.3 75 76 A S G > S+ 0 0 33 -2,-0.3 3,-1.7 -27,-0.2 6,-0.7 0.517 83.8 97.3 -84.2 -4.2 37.0 29.0 -21.9 76 77 A A G 3 S+ 0 0 37 1,-0.3 -1,-0.2 5,-0.1 -28,-0.0 0.801 88.9 38.2 -61.1 -34.7 40.8 28.9 -21.6 77 78 A N G < S+ 0 0 136 -3,-0.5 -1,-0.3 4,-0.1 2,-0.2 0.241 99.8 95.2-101.5 13.1 41.4 32.5 -22.8 78 79 A T S <> S- 0 0 23 -3,-1.7 4,-1.9 1,-0.1 5,-0.3 -0.562 89.9-110.8 -91.9 166.4 38.3 34.0 -20.9 79 80 A S H > S+ 0 0 47 1,-0.2 4,-2.0 2,-0.2 6,-1.8 0.757 122.1 59.9 -68.8 -22.6 38.5 35.6 -17.5 80 81 A L H 4 S+ 0 0 44 4,-0.2 4,-0.4 3,-0.2 -1,-0.2 0.882 109.4 43.5 -65.6 -38.4 36.5 32.5 -16.3 81 82 A G H 4 S+ 0 0 37 -6,-0.7 -2,-0.2 -3,-0.2 -1,-0.2 0.837 131.8 17.1 -76.0 -33.7 39.4 30.4 -17.6 82 83 A K H < S+ 0 0 151 -4,-1.9 -3,-0.2 -7,-0.2 -2,-0.2 0.637 126.9 41.0-117.5 -20.0 42.3 32.5 -16.3 83 84 A K S < S- 0 0 172 -4,-2.0 -3,-0.2 -5,-0.3 -4,-0.1 0.383 103.8-105.9-120.0 2.0 41.1 34.9 -13.6 84 85 A G + 0 0 67 -5,-0.4 -4,-0.2 -4,-0.4 2,-0.1 0.610 58.3 163.6 85.1 14.3 38.7 32.9 -11.5 85 86 A E - 0 0 64 -6,-1.8 -1,-0.2 1,-0.1 -2,-0.1 -0.398 36.0-120.5 -67.8 140.2 35.5 34.5 -12.8 86 87 A T > - 0 0 75 1,-0.1 4,-1.9 -2,-0.1 5,-0.1 -0.343 16.2-119.7 -74.4 159.2 32.2 32.6 -12.2 87 88 A L H > S+ 0 0 29 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.890 114.0 57.5 -63.9 -39.3 30.0 31.4 -15.0 88 89 A A H > S+ 0 0 18 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.926 108.2 44.3 -58.8 -49.3 27.2 33.6 -13.6 89 90 A D H > S+ 0 0 89 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.883 111.5 55.8 -61.4 -40.6 29.3 36.8 -13.8 90 91 A T H X S+ 0 0 11 -4,-1.9 4,-2.1 1,-0.2 -2,-0.2 0.921 111.2 42.4 -57.9 -47.2 30.4 35.8 -17.3 91 92 A I H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.910 110.9 56.5 -67.4 -41.8 26.8 35.5 -18.5 92 93 A S H < S+ 0 0 42 -4,-2.4 4,-0.4 -5,-0.2 -2,-0.2 0.920 112.1 42.0 -57.2 -45.7 25.7 38.7 -16.8 93 94 A V H >< S+ 0 0 63 -4,-2.3 3,-1.3 1,-0.2 4,-0.3 0.916 113.7 50.3 -69.6 -43.6 28.4 40.7 -18.5 94 95 A I H >X S+ 0 0 22 -4,-2.1 3,-1.8 1,-0.3 4,-1.7 0.868 102.9 62.4 -64.1 -33.6 27.9 39.1 -21.9 95 96 A S T 3< S+ 0 0 18 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.658 95.4 60.0 -69.7 -14.8 24.2 39.7 -21.7 96 97 A T T <4 S+ 0 0 108 -3,-1.3 -1,-0.3 -4,-0.4 -2,-0.2 0.569 111.6 42.1 -82.6 -8.0 24.8 43.5 -21.6 97 98 A Y T <4 S+ 0 0 163 -3,-1.8 -2,-0.2 -4,-0.3 2,-0.2 0.825 107.7 48.9-101.7 -43.3 26.5 43.2 -25.0 98 99 A V < - 0 0 7 -4,-1.7 -55,-0.2 1,-0.1 3,-0.1 -0.517 63.0-131.6-114.6 170.0 24.5 40.9 -27.3 99 100 A D S S+ 0 0 59 -57,-3.2 2,-0.3 1,-0.3 -56,-0.2 0.616 93.1 3.0 -95.1 -16.2 21.0 40.2 -28.5 100 101 A A E -c 43 0A 0 -58,-0.6 -56,-2.8 21,-0.2 2,-0.5 -0.958 64.9-136.1-163.1 153.5 21.1 36.4 -27.8 101 102 A I E -cd 44 123A 0 21,-2.6 23,-3.4 -2,-0.3 2,-0.6 -0.967 7.1-164.3-119.0 121.3 23.5 33.9 -26.3 102 103 A V E -cd 45 124A 0 -58,-2.9 -56,-3.4 -2,-0.5 2,-0.4 -0.918 25.6-177.3 -96.8 122.8 24.2 30.5 -27.9 103 104 A M E -cd 46 125A 1 21,-2.5 23,-3.0 -2,-0.6 24,-0.4 -0.974 24.8-178.0-134.7 131.5 25.9 28.4 -25.2 104 105 A R E +c 47 0A 19 -58,-1.9 -56,-3.1 -2,-0.4 -55,-0.2 -0.991 18.3 170.0-121.2 135.3 27.4 25.0 -24.8 105 106 A H E - d 0 128A 15 22,-2.5 24,-2.5 -2,-0.4 5,-0.1 -0.994 40.0-128.6-147.2 144.9 28.7 23.9 -21.4 106 107 A P S S+ 0 0 54 0, 0.0 2,-0.5 0, 0.0 24,-0.2 0.647 85.2 84.6 -69.9 -14.9 29.9 20.5 -19.9 107 108 A Q S > S- 0 0 126 22,-0.2 3,-2.0 23,-0.1 4,-0.3 -0.794 83.0-119.1 -99.1 126.9 27.7 20.8 -16.9 108 109 A E T 3 S+ 0 0 102 -2,-0.5 21,-0.2 1,-0.3 -1,-0.0 -0.325 101.4 21.9 -53.4 133.8 24.0 19.6 -16.9 109 110 A G T 3> S+ 0 0 30 19,-0.3 4,-2.5 -100,-0.1 -1,-0.3 0.391 85.3 120.8 85.7 -2.1 21.8 22.6 -16.1 110 111 A A H <> S+ 0 0 6 -3,-2.0 4,-2.4 1,-0.2 -2,-0.1 0.885 74.3 48.7 -64.3 -38.6 24.3 25.2 -17.1 111 112 A A H > S+ 0 0 1 -4,-0.3 4,-1.6 2,-0.2 -1,-0.2 0.923 112.0 48.4 -67.6 -43.9 22.0 26.7 -19.8 112 113 A R H > S+ 0 0 100 1,-0.2 4,-0.7 2,-0.2 3,-0.3 0.923 111.6 51.2 -57.6 -45.4 19.1 26.9 -17.4 113 114 A L H >< S+ 0 0 79 -4,-2.5 3,-1.5 1,-0.2 4,-0.5 0.920 104.5 57.7 -59.8 -42.4 21.4 28.5 -14.9 114 115 A A H >X S+ 0 0 0 -4,-2.4 3,-1.9 1,-0.3 4,-0.8 0.872 96.4 62.1 -56.4 -38.9 22.5 31.1 -17.5 115 116 A T H 3< S+ 0 0 20 -4,-1.6 -1,-0.3 1,-0.3 3,-0.2 0.754 96.1 61.3 -60.3 -23.6 18.9 32.2 -18.1 116 117 A E T << S+ 0 0 146 -3,-1.5 -1,-0.3 -4,-0.7 -2,-0.2 0.687 114.9 33.1 -74.1 -17.6 18.9 33.4 -14.4 117 118 A F T <4 S+ 0 0 82 -3,-1.9 -2,-0.2 -4,-0.5 -1,-0.2 0.385 97.9 81.3-118.6 3.5 21.7 35.8 -15.2 118 119 A S S >< S- 0 0 0 -4,-0.8 3,-2.0 1,-0.3 2,-0.2 0.391 72.9-157.9 -96.6 3.3 21.0 36.8 -18.8 119 120 A G T 3 S- 0 0 64 1,-0.3 -1,-0.3 -4,-0.2 -23,-0.1 -0.370 72.7 -13.3 59.7-122.5 18.4 39.5 -17.9 120 121 A N T 3 S+ 0 0 143 -2,-0.2 -1,-0.3 -25,-0.1 -5,-0.0 0.125 110.1 110.6 -97.6 20.7 16.3 40.1 -21.0 121 122 A V < - 0 0 8 -3,-2.0 -21,-0.2 -6,-0.1 2,-0.1 -0.855 69.9-123.5-102.1 124.4 18.6 38.2 -23.4 122 123 A P - 0 0 2 0, 0.0 -21,-2.6 0, 0.0 2,-0.5 -0.434 20.3-148.1 -64.8 133.3 17.4 34.9 -24.8 123 124 A V E - d 0 101A 0 -23,-0.2 -115,-2.6 -2,-0.1 2,-0.5 -0.897 6.1-160.3-103.2 129.8 19.7 31.9 -24.1 124 125 A L E -ad 8 102A 0 -23,-3.4 -21,-2.5 -2,-0.5 2,-0.8 -0.959 17.7-133.8-111.8 120.3 19.9 29.1 -26.7 125 126 A N E + d 0 103A 0 -117,-3.2 10,-0.7 -2,-0.5 -21,-0.2 -0.617 24.5 178.0 -79.8 107.7 21.2 25.7 -25.4 126 127 A A E S- 0 0 0 -23,-3.0 -22,-0.2 -2,-0.8 -1,-0.1 0.211 75.2 -42.0 -90.3 14.8 23.8 24.2 -27.7 127 128 A G E - 0 0 0 -24,-0.4 -22,-2.5 -118,-0.1 2,-0.5 0.101 49.5-152.9 126.9 120.3 24.2 21.4 -25.2 128 129 A D E > - d 0 105A 2 4,-1.5 3,-2.0 -24,-0.2 4,-0.4 -0.813 58.8 -74.7-121.5 92.5 24.5 21.2 -21.5 129 130 A G T 3 S- 0 0 0 -24,-2.5 37,-0.3 -2,-0.5 -22,-0.2 -0.332 102.6 -26.7 54.5-132.2 26.5 18.2 -20.4 130 131 A S T 3 S+ 0 0 19 -24,-0.2 -1,-0.3 35,-0.1 39,-0.1 0.252 125.5 81.6 -94.5 11.7 24.5 15.0 -20.9 131 132 A N S < S- 0 0 45 -3,-2.0 2,-0.3 1,-0.2 39,-0.2 0.959 90.0 -3.4 -84.1 -84.9 21.2 16.7 -20.4 132 133 A Q + 0 0 2 -4,-0.4 -4,-1.5 37,-0.1 -1,-0.2 -0.818 32.9 175.3-122.5 153.2 19.6 18.5 -23.4 133 134 A H > + 0 0 5 33,-0.6 4,-1.7 -2,-0.3 3,-0.4 -0.506 16.7 168.2-149.1 69.5 20.4 19.4 -27.0 134 135 A P H > S+ 0 0 0 0, 0.0 4,-1.7 0, 0.0 -8,-0.1 0.808 74.7 51.1 -62.7 -34.8 17.2 21.1 -28.3 135 136 A T H > S+ 0 0 1 -10,-0.7 4,-1.9 2,-0.2 5,-0.2 0.799 105.9 54.8 -78.3 -27.7 18.7 22.4 -31.5 136 137 A Q H > S+ 0 0 8 -3,-0.4 4,-2.5 2,-0.2 -1,-0.2 0.924 109.0 50.6 -61.1 -43.7 20.1 19.1 -32.5 137 138 A T H X S+ 0 0 0 -4,-1.7 4,-3.0 2,-0.2 5,-0.2 0.880 105.6 55.2 -63.1 -37.7 16.5 17.8 -32.1 138 139 A L H X S+ 0 0 1 -4,-1.7 4,-2.4 1,-0.2 -1,-0.2 0.948 112.5 41.7 -61.7 -46.5 15.1 20.6 -34.3 139 140 A L H X S+ 0 0 3 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.869 113.4 54.3 -69.0 -33.7 17.4 19.6 -37.1 140 141 A D H X S+ 0 0 0 -4,-2.5 4,-2.9 2,-0.2 -2,-0.2 0.947 111.0 45.2 -61.7 -48.7 16.8 15.8 -36.4 141 142 A L H X S+ 0 0 0 -4,-3.0 4,-3.2 2,-0.2 5,-0.3 0.911 111.4 52.3 -60.7 -45.2 13.0 16.4 -36.7 142 143 A F H X S+ 0 0 15 -4,-2.4 4,-2.1 -5,-0.2 -1,-0.2 0.929 113.2 45.7 -54.6 -44.7 13.5 18.5 -39.8 143 144 A T H X S+ 0 0 0 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.893 112.8 48.5 -68.9 -42.1 15.5 15.6 -41.3 144 145 A I H X S+ 0 0 0 -4,-2.9 4,-2.7 2,-0.2 5,-0.5 0.944 113.4 47.8 -63.3 -46.2 13.0 12.9 -40.2 145 146 A Q H X S+ 0 0 70 -4,-3.2 4,-1.8 1,-0.2 -2,-0.2 0.882 110.8 52.8 -62.0 -36.9 10.1 14.9 -41.7 146 147 A E H < S+ 0 0 77 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.865 119.0 33.0 -67.0 -36.0 12.0 15.5 -44.9 147 148 A T H < S+ 0 0 31 -4,-1.8 -2,-0.2 -3,-0.1 -1,-0.2 0.725 130.9 31.8 -94.7 -23.3 12.7 11.8 -45.4 148 149 A Q H < S- 0 0 32 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.2 0.568 94.9-130.1-110.6 -15.5 9.6 10.3 -43.9 149 150 A G S < S+ 0 0 61 -4,-1.8 2,-0.3 -5,-0.5 -4,-0.2 0.504 81.0 42.1 80.5 3.9 7.1 13.0 -44.8 150 151 A R - 0 0 117 -6,-0.4 -2,-0.2 1,-0.0 -1,-0.1 -0.977 64.5-138.0-168.2 169.7 5.8 13.0 -41.2 151 152 A L S S+ 0 0 4 -2,-0.3 2,-0.3 -3,-0.1 3,-0.2 0.224 79.9 78.4-124.0 8.4 6.7 12.9 -37.5 152 153 A D S S+ 0 0 46 1,-0.2 28,-0.2 26,-0.1 27,-0.0 -0.843 87.6 19.3-118.4 155.2 4.0 10.6 -36.3 153 154 A N S S+ 0 0 91 26,-2.3 2,-0.3 -2,-0.3 28,-0.2 0.846 86.3 144.1 59.0 39.0 3.5 6.8 -36.5 154 155 A L - 0 0 5 -3,-0.2 28,-2.6 2,-0.0 2,-0.6 -0.694 51.7-131.6-104.5 158.7 7.2 6.1 -37.1 155 156 A H E -e 182 0B 69 -2,-0.3 67,-3.0 26,-0.2 68,-1.8 -0.962 33.2-177.9-109.5 115.3 9.4 3.3 -35.9 156 157 A V E -ef 183 223B 0 26,-2.8 28,-2.1 -2,-0.6 2,-0.4 -0.955 13.1-164.4-124.9 119.3 12.5 4.8 -34.5 157 158 A A E -ef 184 224B 0 66,-2.9 68,-3.4 -2,-0.5 2,-0.4 -0.857 3.3-162.8-100.9 137.2 15.6 3.0 -33.1 158 159 A M E -ef 185 225B 0 26,-2.7 28,-2.7 -2,-0.4 2,-0.4 -0.986 14.2-171.0-119.6 130.3 18.2 4.7 -30.9 159 160 A V E +ef 186 226B 0 66,-2.6 68,-1.2 -2,-0.4 2,-0.4 -0.929 38.1 12.8-129.1 139.4 21.5 3.0 -30.5 160 161 A G S S+ 0 0 11 26,-2.3 2,-1.3 -2,-0.4 3,-0.2 -0.879 108.9 13.6 113.5-131.0 24.6 3.5 -28.4 161 162 A D > + 0 0 0 -2,-0.4 4,-0.6 1,-0.2 7,-0.2 -0.685 61.0 157.6 -90.9 88.0 25.1 5.7 -25.4 162 163 A L T 4 + 0 0 0 29,-1.5 30,-0.2 -2,-1.3 -1,-0.2 0.725 67.6 62.5 -84.7 -22.3 21.6 6.7 -24.4 163 164 A K T 4 S+ 0 0 77 28,-1.6 -1,-0.2 -3,-0.2 29,-0.1 0.960 118.9 23.2 -65.4 -52.5 22.5 7.5 -20.8 164 165 A Y T 4 S+ 0 0 29 27,-0.1 2,-1.3 1,-0.0 -1,-0.2 0.471 94.5 112.0 -95.1 -3.2 24.9 10.3 -21.6 165 166 A G X - 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