==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-APR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 22-JAN-13 4IV5 . COMPND 2 MOLECULE: ASPARTATE CARBAMOYLTRANSFERASE, PUTATIVE; . SOURCE 2 ORGANISM_SCIENTIFIC: TRYPANOSOMA CRUZI; . AUTHOR SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS DISEASE (S . 1779 16 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 63579.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1303 73.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 249 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 . 6 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 . 151 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 206 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 579 32.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 28 1.6 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 9 0 7 3 4 6 1 0 6 7 1 6 0 0 6 5 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 18 6 8 10 18 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 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 3 A E 0 0 187 0, 0.0 32,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-133.8 42.0 109.9 -2.9 2 4 A L - 0 0 2 1,-0.1 28,-0.0 2,-0.0 29,-0.0 0.886 360.0-161.1 41.8 56.9 41.9 110.5 0.9 3 5 A P - 0 0 99 0, 0.0 -1,-0.1 0, 0.0 298,-0.1 -0.389 21.8-110.7 -61.8 141.3 41.5 114.2 0.8 4 6 A P - 0 0 52 0, 0.0 2,-1.2 0, 0.0 3,-0.1 -0.241 27.7-101.1 -67.9 158.4 42.4 115.7 4.2 5 7 A V > - 0 0 15 292,-0.4 3,-2.1 1,-0.2 4,-0.2 -0.735 38.6-155.4 -82.3 101.2 39.9 117.3 6.6 6 8 A A G > S+ 0 0 80 -2,-1.2 3,-2.5 1,-0.3 -1,-0.2 0.841 84.3 65.6 -50.2 -41.5 40.7 120.9 5.6 7 9 A S G 3 S+ 0 0 47 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.0 0.710 98.5 55.6 -60.0 -21.2 39.6 122.4 8.9 8 10 A L G X S+ 0 0 4 -3,-2.1 3,-2.1 2,-0.1 -1,-0.3 0.457 74.8 132.0 -88.1 -1.1 42.4 120.6 10.8 9 11 A K T < S- 0 0 134 -3,-2.5 293,-0.2 1,-0.3 294,-0.2 -0.321 86.8 -9.2 -60.4 123.1 45.2 122.0 8.6 10 12 A G T 3 S+ 0 0 53 292,-2.3 2,-0.4 1,-0.2 -1,-0.3 0.505 103.9 141.3 71.5 6.6 48.0 123.3 10.8 11 13 A K < - 0 0 115 -3,-2.1 -1,-0.2 117,-0.1 2,-0.1 -0.640 49.0-137.2 -94.4 134.2 45.9 122.8 14.0 12 14 A S - 0 0 32 -2,-0.4 2,-0.5 116,-0.1 118,-0.2 -0.508 20.4-137.3 -71.1 152.8 46.9 121.7 17.4 13 15 A I B +a 130 0A 0 116,-2.1 118,-3.1 -2,-0.1 128,-0.1 -0.956 43.6 143.1-118.8 108.8 44.4 119.2 19.0 14 16 A T + 0 0 45 -2,-0.5 2,-0.3 1,-0.3 -1,-0.1 0.669 60.2 24.1-112.6 -30.9 43.7 120.0 22.7 15 17 A S > - 0 0 17 124,-0.1 3,-1.3 1,-0.1 -1,-0.3 -0.986 59.8-128.5-147.9 144.9 40.1 119.3 23.4 16 18 A A G > S+ 0 0 0 -2,-0.3 3,-1.0 1,-0.2 -1,-0.1 0.760 108.1 70.0 -59.7 -22.2 37.1 117.3 22.2 17 19 A E G 3 S+ 0 0 75 1,-0.2 -1,-0.2 -3,-0.0 159,-0.0 0.762 81.4 71.9 -68.3 -24.2 35.3 120.7 22.3 18 20 A Q G < S+ 0 0 71 -3,-1.3 2,-0.2 2,-0.0 -1,-0.2 0.648 85.2 84.8 -72.2 -11.3 37.3 122.1 19.3 19 21 A F < - 0 0 9 -3,-1.0 2,-0.2 -4,-0.2 -3,-0.0 -0.620 62.5-147.9 -96.1 150.2 35.4 119.8 16.8 20 22 A S > - 0 0 49 -2,-0.2 4,-2.4 1,-0.1 5,-0.1 -0.631 35.6-107.0 -98.2 166.4 32.1 120.2 14.9 21 23 A R H > S+ 0 0 91 1,-0.2 4,-2.7 -2,-0.2 5,-0.2 0.854 122.8 55.9 -62.4 -33.5 29.9 117.3 13.9 22 24 A A H > S+ 0 0 71 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.907 106.8 48.3 -65.7 -40.5 31.1 117.8 10.3 23 25 A D H > S+ 0 0 28 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.925 111.3 52.3 -64.0 -43.4 34.7 117.5 11.4 24 26 A I H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.965 112.1 42.8 -60.3 -53.8 33.9 114.3 13.3 25 27 A Y H X S+ 0 0 47 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.860 113.2 52.9 -62.9 -34.9 32.1 112.6 10.4 26 28 A A H X S+ 0 0 39 -4,-2.2 4,-2.3 -5,-0.2 -1,-0.2 0.940 112.1 45.1 -64.3 -46.4 34.8 113.7 7.9 27 29 A L H X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.907 112.6 51.5 -61.8 -41.9 37.5 112.2 10.2 28 30 A I H X S+ 0 0 0 -4,-2.5 4,-1.7 -5,-0.2 -2,-0.2 0.925 113.3 44.3 -61.6 -46.1 35.5 109.0 10.8 29 31 A H H X S+ 0 0 103 -4,-2.4 4,-1.9 -5,-0.2 -1,-0.2 0.862 112.5 51.6 -70.7 -35.0 35.0 108.5 7.0 30 32 A L H X S+ 0 0 11 -4,-2.3 4,-2.8 -5,-0.2 -2,-0.2 0.913 108.6 51.7 -66.3 -41.8 38.7 109.3 6.2 31 33 A A H X S+ 0 0 0 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.885 108.1 52.0 -62.1 -38.7 39.8 106.8 8.8 32 34 A S H X S+ 0 0 35 -4,-1.7 4,-1.9 2,-0.2 -1,-0.2 0.909 110.0 48.4 -62.9 -42.0 37.6 104.2 7.2 33 35 A A H X S+ 0 0 23 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.893 109.5 52.4 -65.8 -40.9 39.2 104.9 3.8 34 36 A M H X S+ 0 0 0 -4,-2.8 4,-2.8 1,-0.2 5,-0.3 0.928 108.1 53.0 -56.6 -44.7 42.7 104.7 5.4 35 37 A Q H X S+ 0 0 58 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.902 107.3 50.4 -59.5 -42.1 41.7 101.3 6.8 36 38 A R H X S+ 0 0 178 -4,-1.9 4,-1.5 2,-0.2 -1,-0.2 0.930 113.4 45.9 -64.5 -42.8 40.6 100.0 3.3 37 39 A K H X>S+ 0 0 26 -4,-2.0 5,-2.0 2,-0.2 4,-0.6 0.910 114.8 44.9 -64.2 -49.1 43.9 101.1 1.8 38 40 A I H ><5S+ 0 0 18 -4,-2.8 3,-0.9 1,-0.2 -2,-0.2 0.908 114.8 48.8 -64.1 -40.0 46.1 99.7 4.5 39 41 A D H 3<5S+ 0 0 84 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.768 106.4 56.6 -75.2 -22.5 44.2 96.4 4.5 40 42 A A H 3<5S- 0 0 77 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.623 121.6-112.2 -75.4 -16.4 44.4 96.3 0.7 41 43 A G T <<5 + 0 0 53 -3,-0.9 -3,-0.2 -4,-0.6 -2,-0.1 0.501 60.1 158.7 99.7 5.4 48.2 96.4 1.2 42 44 A E < - 0 0 93 -5,-2.0 2,-0.7 -6,-0.2 -1,-0.3 -0.337 37.3-136.2 -62.8 143.5 48.8 99.9 -0.3 43 45 A V - 0 0 68 -2,-0.0 2,-0.3 31,-0.0 31,-0.1 -0.900 21.6-148.6-105.0 111.9 51.9 101.6 0.7 44 46 A L + 0 0 14 -2,-0.7 3,-0.1 29,-0.6 310,-0.1 -0.641 24.9 176.2 -87.7 143.9 51.2 105.3 1.4 45 47 A N > + 0 0 94 -2,-0.3 3,-1.8 1,-0.1 30,-0.2 0.129 41.8 122.5-126.9 19.7 53.7 108.1 0.9 46 48 A L T 3 S+ 0 0 65 1,-0.3 29,-0.2 30,-0.0 -1,-0.1 0.740 85.4 29.9 -55.8 -34.0 51.5 111.0 1.9 47 49 A L T > S+ 0 0 1 27,-2.7 3,-2.4 24,-0.2 30,-0.3 -0.062 79.4 157.6-120.0 33.1 53.9 112.2 4.6 48 50 A Q T < S+ 0 0 71 -3,-1.8 28,-0.2 1,-0.3 3,-0.1 -0.323 74.1 16.6 -55.7 134.9 57.2 111.1 3.2 49 51 A G T 3 S+ 0 0 18 26,-0.5 2,-0.3 1,-0.2 -1,-0.3 0.475 98.0 122.3 80.6 1.7 59.9 113.3 4.8 50 52 A R < - 0 0 73 -3,-2.4 27,-2.9 25,-0.2 2,-0.4 -0.758 48.8-144.7-101.6 149.3 57.7 114.6 7.7 51 53 A I E -b 77 0A 0 -2,-0.3 55,-2.4 25,-0.2 56,-1.7 -0.919 13.8-170.7-119.7 132.1 58.5 114.1 11.4 52 54 A M E -bc 78 107A 0 25,-2.5 27,-1.9 -2,-0.4 56,-0.2 -0.961 9.6-161.0-108.9 139.2 56.5 113.4 14.5 53 55 A T E - c 0 108A 3 54,-2.1 56,-2.2 -2,-0.4 2,-0.3 -0.981 11.0-144.1-116.5 119.6 58.2 113.6 17.8 54 56 A P E - c 0 109A 5 0, 0.0 2,-0.4 0, 0.0 27,-0.3 -0.666 12.1-169.1 -75.3 137.0 56.4 111.9 20.8 55 57 A L E + c 0 110A 0 54,-3.8 56,-2.3 -2,-0.3 2,-0.6 -0.803 14.3 171.4-126.5 92.2 56.8 113.7 24.1 56 58 A F E + c 0 111A 33 -2,-0.4 27,-0.4 25,-0.3 56,-0.2 -0.891 21.0 171.8-110.6 114.2 55.5 111.4 26.8 57 59 A F S S+ 0 0 52 54,-3.1 2,-0.3 -2,-0.6 55,-0.2 0.275 75.2 48.5 -97.0 7.1 56.0 112.3 30.4 58 60 A E S S- 0 0 58 53,-0.3 53,-0.1 54,-0.1 332,-0.0 -0.946 99.8 -83.9-133.2 166.0 53.8 109.4 31.5 59 61 A D + 0 0 53 -2,-0.3 2,-0.3 332,-0.1 332,-0.2 -0.230 48.5 174.6 -64.0 149.6 53.7 105.7 30.6 60 62 A S + 0 0 8 330,-2.5 333,-0.1 1,-0.1 330,-0.1 -0.968 27.4 166.1-157.8 145.8 51.9 104.5 27.4 61 63 A S S > S+ 0 0 0 -2,-0.3 4,-1.7 330,-0.2 5,-0.2 0.624 87.8 27.8-112.0 -66.6 51.2 101.4 25.3 62 64 A R H > S+ 0 0 10 2,-0.2 4,-3.2 3,-0.2 5,-0.3 0.937 121.5 46.2 -62.4 -55.7 48.3 102.2 23.0 63 65 A T H > S+ 0 0 7 1,-0.2 4,-1.6 2,-0.2 5,-0.2 0.918 117.3 41.0 -67.1 -46.6 48.6 105.9 22.5 64 66 A F H > S+ 0 0 33 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.955 120.2 44.2 -55.7 -55.9 52.3 106.2 21.9 65 67 A S H X S+ 0 0 0 -4,-1.7 4,-2.8 1,-0.2 -2,-0.2 0.868 112.6 49.4 -67.3 -43.8 52.4 103.1 19.7 66 68 A S H X S+ 0 0 0 -4,-3.2 4,-2.9 -5,-0.2 -1,-0.2 0.861 111.7 50.0 -63.5 -38.1 49.3 103.8 17.6 67 69 A F H X S+ 0 0 1 -4,-1.6 4,-2.2 -5,-0.3 -2,-0.2 0.901 113.3 45.6 -65.6 -42.4 50.5 107.4 16.9 68 70 A C H X S+ 0 0 2 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.940 115.8 46.2 -65.1 -44.5 53.9 106.1 15.8 69 71 A A H X S+ 0 0 0 -4,-2.8 4,-2.5 2,-0.2 -2,-0.2 0.892 111.3 52.8 -65.3 -39.5 52.3 103.3 13.7 70 72 A A H X S+ 0 0 0 -4,-2.9 4,-0.9 2,-0.2 6,-0.2 0.932 111.0 46.4 -59.9 -45.4 49.9 105.9 12.2 71 73 A M H ><>S+ 0 0 0 -4,-2.2 5,-2.4 1,-0.2 3,-0.9 0.946 114.1 48.7 -63.9 -47.4 52.7 108.2 11.2 72 74 A I H ><5S+ 0 0 16 -4,-2.5 3,-2.5 1,-0.2 -1,-0.2 0.911 107.6 53.1 -57.5 -45.2 54.7 105.4 9.7 73 75 A R H 3<5S+ 0 0 15 -4,-2.5 -29,-0.6 1,-0.3 -1,-0.2 0.663 104.6 56.9 -75.5 -10.3 51.8 104.0 7.7 74 76 A L T <<5S- 0 0 0 -3,-0.9 -27,-2.7 -4,-0.9 -1,-0.3 0.345 125.9-103.2 -89.2 0.4 51.4 107.4 6.2 75 77 A G T < 5S+ 0 0 19 -3,-2.5 -26,-0.5 1,-0.3 -3,-0.2 0.489 82.9 127.9 88.2 5.2 55.0 107.3 5.0 76 78 A G < - 0 0 6 -5,-2.4 -1,-0.3 -6,-0.2 2,-0.3 -0.244 50.8-124.2 -86.0 178.5 56.1 109.6 7.7 77 79 A S E -b 51 0A 37 -27,-2.9 -25,-2.5 -30,-0.3 2,-0.4 -0.828 8.5-143.0-127.0 162.6 58.9 109.3 10.3 78 80 A V E -b 52 0A 20 -2,-0.3 2,-0.6 -27,-0.2 -25,-0.2 -0.983 4.5-151.2-127.1 130.4 59.4 109.5 14.1 79 81 A V - 0 0 3 -27,-1.9 2,-1.6 -2,-0.4 1486,-0.1 -0.925 22.4-138.6 -97.8 121.8 62.2 110.9 16.2 80 82 A N - 0 0 29 -2,-0.6 2,-0.3 -27,-0.1 -27,-0.1 -0.535 26.0-179.3 -89.1 75.0 62.3 108.9 19.4 81 83 A F - 0 0 20 -2,-1.6 2,-0.5 -27,-0.3 -25,-0.3 -0.540 11.8-156.1 -62.9 127.7 62.9 111.5 22.1 82 84 A K - 0 0 50 -2,-0.3 3,-0.4 1,-0.1 4,-0.1 -0.964 9.7-155.5-111.5 121.3 63.2 110.0 25.6 83 85 A V S > S+ 0 0 34 -2,-0.5 3,-1.4 -27,-0.4 5,-0.3 0.906 96.0 54.2 -56.0 -47.1 62.4 112.3 28.6 84 86 A E T 3 S+ 0 0 83 1,-0.2 -1,-0.2 4,-0.1 1475,-0.1 0.801 112.6 43.4 -59.4 -31.5 64.6 110.2 31.0 85 87 A A T 3 S+ 0 0 52 -3,-0.4 1475,-1.7 1474,-0.1 -1,-0.2 0.206 100.2 104.5 -98.6 14.3 67.7 110.6 28.6 86 88 A S S X S- 0 0 0 -3,-1.4 3,-1.8 1473,-0.2 1475,-0.2 -0.403 87.2-101.9 -99.8 170.6 67.2 114.3 27.8 87 89 A S G > >S+ 0 0 9 1,-0.3 5,-1.7 2,-0.2 3,-0.8 0.344 103.6 90.6 -72.1 5.3 68.7 117.6 28.8 88 90 A I G > 5S+ 0 0 45 -5,-0.3 3,-1.4 1,-0.2 -1,-0.3 0.811 80.9 62.5 -63.7 -29.8 65.7 118.1 31.2 89 91 A N G < 5S+ 0 0 99 -3,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.666 98.4 54.5 -67.4 -17.3 68.1 116.4 33.6 90 92 A K G < 5S- 0 0 36 -3,-0.8 -1,-0.3 -4,-0.1 -2,-0.2 0.066 134.8 -82.3-103.5 20.5 70.5 119.4 33.1 91 93 A G T < 5S+ 0 0 49 -3,-1.4 -3,-0.2 1,-0.2 -2,-0.1 0.396 74.6 155.7 103.8 -0.3 67.9 122.0 34.1 92 94 A E < - 0 0 6 -5,-1.7 -1,-0.2 1,-0.1 1667,-0.1 -0.361 36.5-130.4 -69.7 131.0 65.9 122.5 30.9 93 95 A T > - 0 0 76 1665,-0.2 4,-2.5 -2,-0.1 5,-0.2 -0.314 20.4-111.0 -73.0 161.3 62.3 123.8 31.2 94 96 A L H > S+ 0 0 23 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.919 119.4 53.1 -52.3 -47.2 59.3 122.2 29.5 95 97 A A H > S+ 0 0 28 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.942 109.4 45.7 -59.7 -50.4 59.0 125.3 27.4 96 98 A D H > S+ 0 0 7 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.895 112.1 53.8 -59.1 -39.3 62.6 125.1 26.1 97 99 A T H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 5,-0.3 0.936 109.1 48.2 -59.5 -44.0 62.1 121.4 25.5 98 100 A I H X S+ 0 0 1 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.947 110.9 49.9 -62.5 -48.7 59.0 122.1 23.4 99 101 A R H X S+ 0 0 59 -4,-2.7 4,-0.8 1,-0.2 -1,-0.2 0.854 110.3 53.4 -58.8 -34.9 61.0 124.8 21.5 100 102 A T H >< S+ 0 0 0 -4,-2.3 3,-0.8 2,-0.2 4,-0.4 0.949 113.9 37.6 -65.1 -53.9 63.8 122.2 20.9 101 103 A L H >X S+ 0 0 1 -4,-2.4 4,-1.6 1,-0.2 3,-1.3 0.872 112.3 61.7 -67.0 -32.4 61.6 119.4 19.5 102 104 A D H 3< S+ 0 0 11 -4,-2.7 -1,-0.2 -5,-0.3 -2,-0.2 0.753 94.4 62.9 -63.2 -21.5 59.6 122.1 17.6 103 105 A S T << S+ 0 0 13 -3,-0.8 -1,-0.2 -4,-0.8 -2,-0.2 0.689 116.7 27.1 -77.0 -21.8 62.8 123.1 15.7 104 106 A Y T <4 S+ 0 0 3 -3,-1.3 2,-0.2 -4,-0.4 -2,-0.2 0.545 109.3 80.8-112.1 -19.0 63.0 119.7 14.0 105 107 A S < - 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0 0 14 -4,-0.3 -4,-1.5 -23,-0.1 -1,-0.3 -0.797 24.1-164.0-135.1 170.4 41.2 115.2 28.3 139 141 A H > + 0 0 4 33,-0.6 4,-1.6 -2,-0.2 3,-0.5 -0.586 22.6 175.6-152.3 71.6 42.2 112.7 25.7 140 142 A P H > S+ 0 0 0 0, 0.0 4,-1.8 0, 0.0 -8,-0.1 0.835 75.7 51.8 -61.0 -36.0 40.6 114.1 22.5 141 143 A T H > S+ 0 0 0 -10,-0.7 4,-2.3 1,-0.2 5,-0.2 0.833 106.5 57.3 -75.2 -25.6 42.0 111.7 20.0 142 144 A Q H > S+ 0 0 8 -3,-0.5 4,-2.6 2,-0.2 -1,-0.2 0.930 105.6 50.4 -61.6 -44.1 40.6 108.8 22.2 143 145 A A H X S+ 0 0 0 -4,-1.6 4,-2.0 1,-0.2 -2,-0.2 0.905 109.5 51.2 -64.2 -40.0 37.2 110.3 21.9 144 146 A L H X S+ 0 0 0 -4,-1.8 4,-1.9 1,-0.2 -1,-0.2 0.948 113.6 42.8 -59.6 -49.4 37.5 110.5 18.1 145 147 A L H X S+ 0 0 3 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.821 110.4 56.7 -72.0 -30.9 38.5 106.9 17.8 146 148 A D H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.929 109.1 47.3 -59.0 -43.8 35.9 105.7 20.3 147 149 A T H X S+ 0 0 0 -4,-2.0 4,-2.9 2,-0.2 -2,-0.2 0.847 109.9 51.6 -69.5 -36.1 33.2 107.4 18.1 148 150 A L H X S+ 0 0 2 -4,-1.9 4,-2.9 2,-0.2 5,-0.3 0.902 109.3 52.4 -62.1 -43.6 34.7 105.8 14.9 149 151 A T H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 5,-0.3 0.971 112.2 44.1 -55.8 -53.0 34.4 102.5 16.8 150 152 A I H X>S+ 0 0 0 -4,-2.6 4,-3.1 1,-0.2 5,-0.8 0.958 115.5 47.7 -57.8 -53.1 30.7 103.1 17.7 151 153 A H H X5S+ 0 0 40 -4,-2.9 4,-1.8 1,-0.2 -1,-0.2 0.914 116.8 42.3 -54.6 -47.5 29.9 104.3 14.1 152 154 A S H <5S+ 0 0 44 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.848 120.9 41.0 -72.1 -33.8 31.7 101.3 12.5 153 155 A E H <5S+ 0 0 46 -4,-2.7 -2,-0.2 -5,-0.3 -3,-0.2 0.884 131.9 21.1 -83.4 -39.4 30.4 98.7 14.9 154 156 A L H <5S- 0 0 24 -4,-3.1 -3,-0.2 -5,-0.3 -2,-0.2 0.675 93.7-127.8-104.2 -26.7 26.8 99.9 15.2 155 157 A G S < + 0 0 0 -2,-0.3 3,-1.6 3,-0.1 -1,-0.1 0.726 69.4 85.3-115.2 -48.1 25.7 107.4 16.9 158 160 A D T 3 S+ 0 0 49 1,-0.2 29,-0.2 29,-0.1 23,-0.0 -0.335 98.6 19.9 -47.4 136.8 22.6 109.5 17.1 159 161 A G T 3 S+ 0 0 45 27,-3.3 -1,-0.2 1,-0.2 28,-0.2 0.447 92.1 136.3 83.1 1.5 19.9 107.8 19.2 160 162 A I < - 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