==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-AUG-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 22-MAR-11 3R7L . COMPND 2 MOLECULE: ASPARTATE CARBAMOYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR K.M.HARRIS,G.M.COCKRELL,D.E.PULEO,E.R.KANTROWITZ . 1740 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 63385.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1241 71.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 279 16.0 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 . 6 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 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 . 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 . 124 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 218 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 523 30.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 38 2.2 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 7 8 1 7 0 0 2 4 12 0 0 9 3 0 0 5 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 24 6 6 7 18 5 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 6 0 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 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 M 0 0 116 0, 0.0 2,-0.4 0, 0.0 288,-0.2 0.000 360.0 360.0 360.0 119.9 34.4 70.7 95.7 2 2 A K - 0 0 80 286,-0.9 288,-0.1 2,-0.0 287,-0.0 -0.917 360.0-154.1-135.5 109.4 36.4 67.5 95.1 3 3 A H - 0 0 36 -2,-0.4 2,-0.3 113,-0.1 115,-0.2 -0.202 5.2-149.6 -64.7 166.3 39.1 67.2 92.4 4 4 A L B +a 118 0A 4 113,-2.8 115,-3.1 1,-0.1 125,-0.1 -0.776 42.9 133.4-140.4 96.5 40.0 63.9 90.9 5 5 A T + 0 0 14 1,-0.4 2,-0.4 -2,-0.3 121,-0.1 0.831 63.9 21.8-112.4 -57.5 43.6 63.9 89.8 6 6 A T > - 0 0 9 1,-0.1 3,-1.3 121,-0.1 -1,-0.4 -0.963 57.8-142.3-124.0 138.1 45.5 60.8 91.0 7 7 A M G > S+ 0 0 0 -2,-0.4 3,-1.8 1,-0.3 -1,-0.1 0.807 98.8 68.5 -64.3 -29.5 44.1 57.4 91.9 8 8 A S G 3 S+ 0 0 61 1,-0.3 -1,-0.3 -3,-0.0 156,-0.0 0.647 97.7 51.7 -67.9 -15.3 46.7 57.0 94.7 9 9 A E G < S+ 0 0 152 -3,-1.3 2,-0.6 2,-0.1 -1,-0.3 0.241 86.8 99.5-104.6 12.1 45.0 59.8 96.7 10 10 A L S < S- 0 0 3 -3,-1.8 -6,-0.0 4,-0.0 5,-0.0 -0.887 74.3-129.4-101.9 116.8 41.5 58.3 96.4 11 11 A S > - 0 0 46 -2,-0.6 4,-2.5 1,-0.1 5,-0.2 -0.169 16.8-116.7 -64.1 155.7 40.6 56.4 99.6 12 12 A T H > S+ 0 0 37 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.872 118.1 53.2 -56.6 -37.4 39.3 52.8 99.6 13 13 A E H > S+ 0 0 120 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.921 108.5 47.3 -66.1 -46.0 36.1 54.2 101.0 14 14 A E H > S+ 0 0 45 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.893 111.1 53.2 -62.0 -40.8 35.7 56.8 98.3 15 15 A I H X S+ 0 0 1 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.948 109.0 48.0 -58.1 -51.2 36.4 54.2 95.7 16 16 A K H X S+ 0 0 106 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.892 112.1 50.1 -59.0 -41.5 33.7 51.9 97.0 17 17 A D H X S+ 0 0 89 -4,-2.2 4,-2.9 2,-0.2 5,-0.2 0.920 109.5 50.3 -64.0 -44.4 31.2 54.7 97.2 18 18 A L H X S+ 0 0 8 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.905 111.1 49.5 -60.9 -41.6 31.9 55.8 93.6 19 19 A L H X S+ 0 0 15 -4,-2.5 4,-1.8 2,-0.2 -1,-0.2 0.890 112.2 47.8 -64.0 -39.0 31.4 52.2 92.4 20 20 A Q H X S+ 0 0 104 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.920 112.3 48.5 -68.1 -44.7 28.1 52.0 94.3 21 21 A T H X S+ 0 0 28 -4,-2.9 4,-2.5 1,-0.2 5,-0.2 0.895 109.5 53.7 -59.3 -42.4 26.9 55.3 92.9 22 22 A A H X S+ 0 0 0 -4,-2.4 4,-2.4 -5,-0.2 -1,-0.2 0.902 107.6 50.8 -59.7 -42.7 27.9 54.2 89.5 23 23 A Q H X S+ 0 0 77 -4,-1.8 4,-1.8 2,-0.2 -1,-0.2 0.900 110.3 48.9 -63.4 -42.3 25.8 51.0 89.9 24 24 A E H <>S+ 0 0 70 -4,-2.1 5,-2.2 2,-0.2 -2,-0.2 0.921 112.8 47.3 -62.6 -44.8 22.8 52.9 91.0 25 25 A L H ><5S+ 0 0 7 -4,-2.5 3,-1.4 1,-0.2 -2,-0.2 0.870 109.5 54.4 -64.5 -37.5 23.1 55.3 88.0 26 26 A K H 3<5S+ 0 0 61 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.872 105.4 54.0 -62.7 -36.9 23.6 52.4 85.7 27 27 A S T 3<5S- 0 0 96 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.211 132.3 -88.0 -88.6 15.0 20.3 50.9 87.0 28 28 A G T < 5S+ 0 0 36 -3,-1.4 -3,-0.2 1,-0.3 -2,-0.1 0.285 71.6 152.4 106.9 -10.0 18.4 54.1 86.2 29 29 A K < + 0 0 72 -5,-2.2 2,-0.3 -6,-0.1 -1,-0.3 -0.245 21.3 162.9 -54.4 139.5 18.7 56.3 89.3 30 30 A T + 0 0 57 31,-0.0 2,-0.3 2,-0.0 1167,-0.1 -0.986 19.0 172.1-154.4 160.6 18.5 60.0 88.4 31 31 A D - 0 0 20 -2,-0.3 3,-0.4 1164,-0.1 1164,-0.3 -0.967 37.2-119.9-164.0 168.6 17.9 63.5 89.7 32 32 A N S > S+ 0 0 35 1162,-2.7 3,-1.1 -2,-0.3 1163,-0.1 0.120 70.4 118.4-102.0 21.0 18.0 67.1 88.5 33 33 A Q T 3 S+ 0 0 98 1161,-0.3 -1,-0.2 1,-0.3 29,-0.1 0.815 86.8 33.5 -54.2 -33.8 20.6 68.3 91.0 34 34 A L T > S+ 0 0 13 -3,-0.4 3,-2.0 27,-0.3 -1,-0.3 0.381 84.8 136.9-106.7 0.7 23.0 69.3 88.2 35 35 A T T < S+ 0 0 76 -3,-1.1 28,-0.2 1,-0.3 27,-0.2 -0.262 76.7 8.3 -58.0 129.2 20.5 70.3 85.6 36 36 A G T 3 S+ 0 0 38 26,-2.9 -1,-0.3 1,-0.3 27,-0.2 0.249 95.8 128.3 86.4 -13.2 21.5 73.5 83.8 37 37 A K < - 0 0 77 -3,-2.0 27,-2.9 25,-0.1 2,-0.4 -0.343 59.4-115.8 -69.6 159.0 25.0 73.6 85.3 38 38 A F E -bc 64 93A 14 54,-0.5 56,-2.5 25,-0.2 57,-1.1 -0.841 26.2-172.7-105.4 133.7 27.9 74.0 83.0 39 39 A A E -bc 65 95A 0 25,-2.7 27,-2.6 -2,-0.4 2,-0.5 -0.979 10.3-153.4-119.4 137.6 30.7 71.5 82.4 40 40 A A E -bc 66 96A 0 55,-2.6 57,-2.9 -2,-0.4 2,-0.7 -0.943 0.5-156.4-113.1 129.0 33.8 72.2 80.3 41 41 A N E -bc 67 97A 1 25,-3.4 27,-3.1 -2,-0.5 2,-0.8 -0.894 9.3-173.8-105.8 106.7 35.7 69.5 78.5 42 42 A L E +bc 68 98A 0 55,-3.4 57,-2.3 -2,-0.7 2,-0.6 -0.837 8.2 175.6-102.0 99.1 39.3 70.5 77.8 43 43 A F E + c 0 99A 12 25,-2.5 57,-0.2 -2,-0.8 4,-0.1 -0.897 16.5 165.3-111.6 112.5 41.0 67.9 75.7 44 44 A F S S+ 0 0 51 55,-2.9 56,-0.2 -2,-0.6 -1,-0.1 0.438 70.7 53.8-102.2 -4.5 44.6 68.5 74.5 45 45 A E S S- 0 0 17 54,-0.3 54,-0.1 55,-0.1 318,-0.0 -0.916 101.6 -88.5-121.8 155.7 45.2 64.9 73.5 46 46 A P + 0 0 42 0, 0.0 2,-0.3 0, 0.0 318,-0.3 -0.228 54.9 162.6 -59.0 153.7 43.1 62.8 71.2 47 47 A S + 0 0 2 316,-2.4 319,-0.1 -4,-0.1 -4,-0.0 -0.914 27.6 169.0-171.6 142.3 40.2 60.8 72.8 48 48 A T S > S+ 0 0 0 -2,-0.3 4,-1.5 316,-0.2 5,-0.3 0.623 85.3 35.4-120.8 -56.1 37.0 59.0 72.0 49 49 A R H > S+ 0 0 10 3,-0.2 4,-3.0 2,-0.2 5,-0.4 0.984 121.9 40.8 -62.3 -62.3 35.9 57.1 75.0 50 50 A T H > S+ 0 0 5 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.921 119.4 43.5 -60.9 -49.3 37.0 59.4 77.8 51 51 A R H > S+ 0 0 31 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.964 122.5 35.4 -59.3 -55.7 35.9 62.7 76.1 52 52 A F H X S+ 0 0 0 -4,-1.5 4,-2.7 2,-0.2 -2,-0.2 0.757 112.7 56.9 -80.5 -25.0 32.6 61.5 74.8 53 53 A S H X S+ 0 0 1 -4,-3.0 4,-2.5 -5,-0.3 -1,-0.2 0.876 109.9 49.6 -68.0 -34.4 31.6 59.3 77.7 54 54 A F H X S+ 0 0 0 -4,-1.6 4,-3.3 -5,-0.4 -2,-0.2 0.926 110.0 49.0 -64.8 -45.5 32.1 62.4 79.8 55 55 A E H X S+ 0 0 7 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.942 113.3 46.8 -60.8 -47.0 29.9 64.4 77.4 56 56 A V H X S+ 0 0 0 -4,-2.7 4,-2.4 2,-0.2 -1,-0.2 0.928 113.5 49.9 -57.5 -45.3 27.2 61.7 77.6 57 57 A A H X S+ 0 0 0 -4,-2.5 4,-1.2 1,-0.2 -2,-0.2 0.939 111.0 48.3 -58.7 -49.4 27.6 61.6 81.3 58 58 A E H <>S+ 0 0 0 -4,-3.3 5,-2.9 1,-0.2 -1,-0.2 0.875 113.5 47.3 -59.8 -39.3 27.3 65.4 81.6 59 59 A K H ><5S+ 0 0 47 -4,-2.4 3,-0.9 3,-0.2 -1,-0.2 0.823 106.9 54.9 -77.6 -30.9 24.2 65.4 79.4 60 60 A K H 3<5S+ 0 0 87 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.752 107.1 53.4 -68.4 -23.4 22.5 62.6 81.3 61 61 A L T 3<5S- 0 0 6 -4,-1.2 -27,-0.3 -5,-0.2 -1,-0.2 0.467 122.5-114.4 -86.3 -3.2 23.0 64.8 84.3 62 62 A G T < 5 + 0 0 29 -3,-0.9 -26,-2.9 1,-0.2 -3,-0.2 0.709 65.3 148.2 79.5 22.7 21.3 67.5 82.4 63 63 A M < - 0 0 9 -5,-2.9 2,-0.3 -28,-0.2 -1,-0.2 -0.515 50.7-118.4 -88.1 154.4 24.3 69.8 82.2 64 64 A N E -b 38 0A 49 -27,-2.9 -25,-2.7 -2,-0.2 2,-0.4 -0.742 35.3-142.3 -83.6 142.1 25.2 72.2 79.4 65 65 A V E -b 39 0A 5 -2,-0.3 2,-0.5 -27,-0.2 -25,-0.2 -0.908 18.0-168.5-117.2 134.6 28.6 71.3 77.8 66 66 A L E -b 40 0A 0 -27,-2.6 -25,-3.4 -2,-0.4 2,-0.5 -0.980 13.3-156.2-114.2 130.7 31.4 73.4 76.5 67 67 A N E +b 41 0A 40 -2,-0.5 2,-0.4 -27,-0.2 -25,-0.2 -0.925 13.7 177.9-113.7 118.2 34.1 71.6 74.4 68 68 A L E +b 42 0A 5 -27,-3.1 -25,-2.5 -2,-0.5 562,-0.0 -0.945 11.7 177.3-120.7 139.7 37.6 73.0 74.2 69 69 A D - 0 0 56 -2,-0.4 -1,-0.1 -27,-0.2 -27,-0.1 0.772 40.5-118.7-111.5 -34.7 40.6 71.5 72.3 70 70 A G S S+ 0 0 8 -26,-0.0 -26,-0.1 -28,-0.0 -28,-0.0 0.103 101.4 68.9 112.9 -25.3 43.6 73.8 72.5 71 71 A T S S+ 0 0 106 4,-0.1 -27,-0.0 1,-0.1 -3,-0.0 0.667 108.4 36.9 -94.4 -20.6 44.2 74.6 68.8 72 72 A S S S+ 0 0 13 556,-0.1 557,-2.4 555,-0.0 2,-0.1 0.503 106.9 81.6-105.4 -8.5 41.0 76.7 68.6 73 73 A T S > S- 0 0 2 555,-0.3 3,-1.5 1,-0.1 557,-0.3 -0.301 97.5 -97.0 -90.6 178.4 41.2 78.3 72.0 74 74 A S G > >S+ 0 0 2 1,-0.3 5,-1.7 2,-0.2 3,-1.5 0.410 107.9 90.3 -82.4 3.0 43.2 81.3 73.2 75 75 A V G > 5S+ 0 0 44 1,-0.3 3,-1.7 3,-0.2 -1,-0.3 0.817 80.0 66.6 -55.5 -30.3 45.9 78.9 74.5 76 76 A Q G < 5S+ 0 0 115 -3,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.715 96.0 52.4 -64.2 -22.3 47.0 79.6 70.9 77 77 A K G < 5S- 0 0 26 -3,-1.5 -1,-0.3 -4,-0.1 -2,-0.2 0.383 134.0 -90.2 -95.0 1.6 47.6 83.2 72.0 78 78 A G T < 5S+ 0 0 45 -3,-1.7 -3,-0.2 1,-0.3 -2,-0.2 0.519 70.1 159.9 105.9 8.7 49.8 82.0 74.9 79 79 A E < - 0 0 10 -5,-1.7 -1,-0.3 1,-0.1 756,-0.1 -0.395 37.3-124.4 -66.9 137.0 47.1 81.6 77.6 80 80 A T > - 0 0 58 754,-0.3 4,-1.8 1,-0.1 5,-0.1 -0.328 18.2-114.8 -75.7 162.0 48.2 79.3 80.5 81 81 A L H > S+ 0 0 31 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.924 117.6 54.0 -61.7 -42.8 46.1 76.4 81.6 82 82 A Y H > S+ 0 0 27 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.941 108.5 46.8 -56.5 -52.2 45.5 78.1 84.9 83 83 A D H > S+ 0 0 3 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.827 109.4 57.0 -61.1 -31.4 44.2 81.3 83.3 84 84 A T H X S+ 0 0 2 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.921 108.3 45.4 -64.2 -44.5 42.0 79.1 81.1 85 85 A I H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.917 113.3 49.1 -65.6 -43.5 40.4 77.5 84.1 86 86 A R H X S+ 0 0 27 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.864 109.5 53.5 -63.9 -36.7 39.8 80.8 85.8 87 87 A T H X S+ 0 0 0 -4,-2.1 4,-1.5 -5,-0.2 -2,-0.2 0.941 109.0 48.4 -60.6 -48.0 38.3 82.1 82.6 88 88 A L H X>S+ 0 0 0 -4,-2.3 5,-2.7 1,-0.2 4,-0.6 0.907 110.3 51.8 -60.8 -42.4 35.9 79.2 82.6 89 89 A E H ><5S+ 0 0 29 -4,-2.6 3,-1.6 1,-0.2 -1,-0.2 0.953 107.3 53.6 -54.1 -50.9 35.0 79.9 86.2 90 90 A S H 3<5S+ 0 0 11 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.787 108.1 48.8 -58.7 -32.5 34.3 83.5 85.4 91 91 A I H 3<5S- 0 0 7 -4,-1.5 -1,-0.3 -3,-0.2 -2,-0.2 0.474 129.7 -90.3 -92.2 -1.5 31.9 82.7 82.6 92 92 A G T <<5 + 0 0 34 -3,-1.6 -54,-0.5 -4,-0.6 2,-0.3 0.630 69.1 153.1 110.5 18.0 30.0 80.2 84.8 93 93 A V E < -c 38 0A 4 -5,-2.7 -1,-0.3 -6,-0.1 -54,-0.2 -0.616 22.9-168.8 -78.4 135.9 31.6 76.8 84.4 94 94 A D E + 0 0 50 -56,-2.5 2,-0.3 -2,-0.3 -55,-0.2 0.725 67.5 17.9 -97.4 -27.0 31.1 74.5 87.4 95 95 A V E -c 39 0A 0 -57,-1.1 -55,-2.6 20,-0.2 2,-0.4 -0.998 62.3-150.2-148.3 147.6 33.5 71.7 86.6 96 96 A C E -cd 40 117A 0 20,-2.1 22,-3.2 -2,-0.3 2,-0.5 -0.976 0.3-160.9-124.4 130.2 36.4 71.1 84.2 97 97 A V E -cd 41 118A 0 -57,-2.9 -55,-3.4 -2,-0.4 2,-0.4 -0.934 21.5-170.8-105.5 127.9 37.5 67.8 82.6 98 98 A I E +cd 42 119A 0 20,-2.4 22,-3.8 -2,-0.5 23,-0.6 -0.974 22.4 179.0-130.9 129.1 41.1 68.0 81.4 99 99 A R E +cd 43 121A 6 -57,-2.3 -55,-2.9 -2,-0.4 -54,-0.3 -0.997 24.3 165.3-122.1 126.4 43.4 65.7 79.3 100 100 A H E - d 0 122A 41 21,-2.6 23,-2.7 -2,-0.4 5,-0.1 -0.956 44.8-128.7-144.2 152.6 46.9 67.1 78.8 101 101 A S S S+ 0 0 70 -2,-0.3 2,-0.6 21,-0.2 23,-0.2 0.735 83.3 91.3 -75.1 -23.1 50.3 65.9 77.6 102 102 A E S > S- 0 0 109 21,-0.1 3,-1.7 1,-0.1 4,-0.2 -0.648 81.3-122.1 -85.3 118.3 52.1 67.2 80.7 103 103 A D T 3 S+ 0 0 76 -2,-0.6 20,-0.1 1,-0.3 -1,-0.1 -0.279 93.6 1.9 -53.6 131.6 52.5 64.8 83.6 104 104 A E T >> S+ 0 0 101 18,-0.2 3,-1.9 1,-0.1 4,-0.5 0.761 75.8 154.1 60.5 28.8 51.0 66.2 86.8 105 105 A Y H <> S+ 0 0 6 -3,-1.7 4,-0.8 1,-0.3 3,-0.4 0.763 71.0 62.3 -51.5 -24.0 49.8 69.4 85.1 106 106 A Y H 3> S+ 0 0 17 1,-0.2 4,-2.6 2,-0.2 -1,-0.3 0.646 78.9 79.5 -84.3 -16.8 47.2 69.4 87.9 107 107 A E H <> S+ 0 0 126 -3,-1.9 4,-0.6 1,-0.2 -1,-0.2 0.918 100.1 42.4 -57.9 -43.5 49.6 69.7 90.8 108 108 A E H < S+ 0 0 129 -4,-0.5 3,-0.4 -3,-0.4 4,-0.3 0.918 116.6 49.7 -65.8 -44.7 49.8 73.4 90.1 109 109 A L H >X S+ 0 0 2 -4,-0.8 3,-2.5 1,-0.2 4,-2.3 0.914 96.5 63.0 -63.0 -52.0 46.1 73.8 89.5 110 110 A V H 3< S+ 0 0 47 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.1 0.736 105.1 46.3 -57.4 -30.0 44.4 72.1 92.5 111 111 A S T 3< S+ 0 0 98 -4,-0.6 -1,-0.3 -3,-0.4 -2,-0.2 0.573 121.3 38.7 -84.8 -9.4 45.8 74.5 95.1 112 112 A Q T <4 S+ 0 0 84 -3,-2.5 -2,-0.2 -4,-0.3 -3,-0.1 0.746 97.1 77.1-113.7 -33.3 44.9 77.5 93.0 113 113 A V < - 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0 0 19 -4,-0.2 -4,-1.3 37,-0.1 -1,-0.2 -0.796 32.5-173.7-119.5 158.4 47.3 59.1 86.0 127 127 A H > + 0 0 7 33,-0.6 4,-2.0 -2,-0.3 3,-0.5 -0.519 17.5 171.5-147.4 73.1 44.0 58.1 84.5 128 128 A P H > S+ 0 0 0 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.794 73.5 50.8 -61.8 -41.8 41.6 57.9 87.5 129 129 A T H > S+ 0 0 0 -10,-0.6 4,-2.1 2,-0.2 5,-0.2 0.836 111.1 51.5 -70.7 -29.2 38.2 57.5 85.7 130 130 A Q H > S+ 0 0 9 -3,-0.5 4,-2.1 2,-0.2 -1,-0.2 0.940 111.2 47.4 -66.0 -47.9 39.7 54.7 83.7 131 131 A S H X S+ 0 0 0 -4,-2.0 4,-2.9 1,-0.2 -2,-0.2 0.932 112.0 50.4 -57.2 -48.6 40.9 53.0 86.9 132 132 A L H X S+ 0 0 0 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.898 112.8 44.7 -58.9 -43.6 37.5 53.5 88.5 133 133 A L H X S+ 0 0 3 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.790 112.2 53.6 -74.8 -26.2 35.6 52.0 85.6 134 134 A D H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.923 110.4 46.5 -68.9 -45.5 38.2 49.1 85.4 135 135 A L H X S+ 0 0 0 -4,-2.9 4,-2.9 2,-0.2 -2,-0.2 0.917 111.8 51.9 -59.8 -45.5 37.6 48.4 89.1 136 136 A M H X S+ 0 0 3 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.919 110.7 47.4 -56.7 -47.2 33.8 48.6 88.6 137 137 A T H X S+ 0 0 0 -4,-2.0 4,-1.1 2,-0.2 -1,-0.2 0.904 114.0 46.5 -64.6 -43.8 34.0 46.1 85.7 138 138 A I H X S+ 0 0 1 -4,-2.4 4,-2.1 1,-0.2 3,-0.4 0.912 112.7 50.7 -62.7 -42.7 36.2 43.7 87.6 139 139 A Y H X S+ 0 0 101 -4,-2.9 4,-2.6 1,-0.3 -2,-0.2 0.874 105.6 55.1 -66.8 -37.1 34.0 44.0 90.7 140 140 A E H < S+ 0 0 38 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.816 112.0 46.8 -61.9 -28.9 30.9 43.3 88.6 141 141 A E H < S+ 0 0 57 -4,-1.1 -2,-0.2 -3,-0.4 -1,-0.2 0.885 132.2 11.5 -82.4 -41.0 32.6 40.1 87.5 142 142 A F H < S- 0 0 50 -4,-2.1 -3,-0.2 2,-0.2 -2,-0.2 0.441 83.8-133.2-120.5 -3.8 33.9 38.7 90.8 143 143 A N S < S+ 0 0 117 -4,-2.6 2,-0.3 -5,-0.3 -4,-0.1 0.758 83.0 58.2 50.4 26.8 32.2 40.8 93.5 144 144 A T - 0 0 56 -6,-0.3 -2,-0.2 1,-0.1 -1,-0.1 -0.967 56.0-159.9-169.4 161.4 35.6 41.1 95.1 145 145 A F > + 0 0 16 -2,-0.3 3,-1.4 27,-0.2 2,-0.3 0.562 65.6 104.0-115.8 -25.9 39.2 42.3 94.7 146 146 A K T 3 S+ 0 0 159 1,-0.3 28,-0.2 28,-0.1 27,-0.1 -0.421 94.1 6.7 -64.7 121.9 40.8 40.3 97.5 147 147 A G T 3 S+ 0 0 66 26,-2.3 -1,-0.3 1,-0.3 27,-0.1 0.209 94.4 136.2 93.6 -15.2 42.7 37.3 96.1 148 148 A L < - 0 0 14 -3,-1.4 27,-3.1 25,-0.1 2,-0.6 -0.340 47.4-143.5 -63.6 144.3 42.3 38.3 92.5 149 149 A T E -e 175 0B 9 25,-0.2 56,-3.2 -3,-0.1 57,-1.8 -0.958 20.8-177.2-112.2 115.2 45.3 38.0 90.2 150 150 A V E -ef 176 206B 0 25,-3.0 27,-2.5 -2,-0.6 2,-0.4 -0.951 7.2-164.0-115.5 126.3 45.4 40.8 87.7 151 151 A S E -ef 177 207B 0 55,-2.5 57,-3.0 -2,-0.5 2,-0.5 -0.920 3.2-159.1-111.3 137.1 48.1 41.0 85.0 152 152 A I E -ef 178 208B 0 25,-3.6 27,-1.2 -2,-0.4 2,-0.3 -0.966 18.5-157.9-118.2 126.4 48.9 44.2 83.0 153 153 A H E +ef 179 209B 3 55,-2.5 57,-1.0 -2,-0.5 2,-0.4 -0.814 35.2 0.4-119.9 141.4 50.7 43.7 79.7 154 154 A G S S+ 0 0 1 25,-1.0 2,-2.0 -2,-0.3 3,-0.2 -0.804 106.5 23.8 107.9-131.9 52.8 45.6 77.2 155 155 A D + 0 0 0 -2,-0.4 7,-0.2 1,-0.2 58,-0.1 -0.504 63.6 156.5 -80.7 75.3 54.1 49.2 77.3 156 156 A I > + 0 0 1 -2,-2.0 3,-2.4 28,-0.3 7,-0.2 0.922 61.2 67.1 -66.1 -47.3 53.9 49.8 81.0 157 157 A K T 3 S+ 0 0 98 27,-3.4 -1,-0.2 1,-0.3 28,-0.1 0.844 108.6 34.9 -40.9 -53.7 56.5 52.6 81.1 158 158 A H T 3 S+ 0 0 29 26,-0.2 2,-0.7 -3,-0.1 -1,-0.3 0.080 95.2 113.4 -95.1 23.0 54.3 55.1 79.2 159 159 A S <> - 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