==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 09-FEB-06 2FZC . COMPND 2 MOLECULE: ASPARTATE CARBAMOYLTRANSFERASE CATALYTIC CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR S.HENG,K.A.STIEGLITZ,J.ELDO,J.XIA,J.P.CARDIA,E.R.KANTROWITZ . 924 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 40390.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 624 67.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 91 9.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 89 9.6 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 . 3 0.3 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 . 75 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 116 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 213 23.1 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+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 3 2 2 4 2 2 2 0 0 2 0 2 2 0 0 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 8 0 4 4 5 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 PARALLEL BRIDGES PER LADDER . 0 0 5 1 6 1 2 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 88 0, 0.0 306,-0.2 0, 0.0 305,-0.1 0.000 360.0 360.0 360.0 178.1 37.2 45.9 -8.8 2 2 A N > - 0 0 21 304,-2.9 3,-1.6 303,-0.3 305,-0.0 -0.374 360.0-101.7 -70.5 160.3 35.8 43.0 -6.9 3 3 A P T 3 S+ 0 0 88 0, 0.0 -1,-0.1 0, 0.0 16,-0.1 0.736 120.9 44.7 -53.0 -28.0 33.4 44.0 -4.0 4 4 A L T > S+ 0 0 0 302,-0.1 3,-2.6 15,-0.1 2,-0.1 0.422 77.7 136.3-101.3 2.2 36.1 43.3 -1.3 5 5 A Y T < S- 0 0 85 -3,-1.6 298,-0.2 1,-0.3 299,-0.2 -0.280 85.6 -7.0 -55.1 120.4 39.0 45.0 -3.1 6 6 A Q T 3 S+ 0 0 70 297,-2.2 -1,-0.3 1,-0.2 2,-0.2 0.678 101.3 142.4 65.9 18.8 40.9 47.1 -0.5 7 7 A K < - 0 0 84 -3,-2.6 2,-0.2 295,-0.1 -1,-0.2 -0.637 53.8-120.2 -92.2 153.1 38.4 46.5 2.2 8 8 A H - 0 0 62 -2,-0.2 2,-0.6 115,-0.1 117,-0.2 -0.637 18.3-149.2 -80.6 143.8 39.1 45.9 5.8 9 9 A I B +a 125 0A 0 115,-2.4 117,-2.9 -2,-0.2 127,-0.1 -0.838 45.4 134.6-118.9 90.9 37.9 42.5 7.1 10 10 A I + 0 0 4 -2,-0.6 2,-0.4 1,-0.3 -1,-0.1 0.829 60.0 18.0-107.6 -44.0 37.1 43.2 10.8 11 11 A S > - 0 0 0 -3,-0.2 3,-2.2 1,-0.1 -1,-0.3 -0.991 54.7-135.2-143.6 139.9 33.8 41.6 11.7 12 12 A I G > S+ 0 0 2 -2,-0.4 3,-1.6 1,-0.3 -1,-0.1 0.805 107.7 65.8 -58.5 -26.3 31.5 39.0 10.4 13 13 A N G 3 S+ 0 0 68 1,-0.3 -1,-0.3 -3,-0.1 158,-0.0 0.727 96.7 53.9 -72.3 -16.3 28.7 41.5 11.1 14 14 A D G < S+ 0 0 81 -3,-2.2 2,-0.5 2,-0.1 -1,-0.3 0.345 95.0 88.1 -95.5 7.0 30.1 43.8 8.4 15 15 A L < - 0 0 11 -3,-1.6 -6,-0.0 -4,-0.2 -1,-0.0 -0.928 68.7-142.8-111.8 128.1 30.0 41.0 5.8 16 16 A S > - 0 0 51 -2,-0.5 4,-2.5 1,-0.1 5,-0.2 -0.202 30.9-106.1 -76.2 167.0 26.9 40.3 3.7 17 17 A R H > S+ 0 0 74 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.878 125.8 52.1 -60.2 -36.7 25.7 36.9 2.7 18 18 A D H > S+ 0 0 121 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.879 106.1 53.2 -68.4 -38.8 27.0 37.8 -0.8 19 19 A D H > S+ 0 0 20 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.964 110.5 47.7 -60.1 -48.4 30.4 38.8 0.7 20 20 A L H X S+ 0 0 1 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.926 112.0 49.1 -58.1 -45.8 30.6 35.4 2.4 21 21 A N H X S+ 0 0 52 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.846 109.2 52.9 -61.4 -37.3 29.6 33.5 -0.8 22 22 A L H X S+ 0 0 44 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.892 109.6 48.1 -67.0 -41.4 32.2 35.4 -2.8 23 23 A V H X S+ 0 0 1 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.941 114.5 46.6 -64.6 -44.6 35.0 34.5 -0.4 24 24 A L H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.896 111.8 49.6 -66.2 -39.1 33.9 30.9 -0.4 25 25 A A H X S+ 0 0 47 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.908 112.0 48.8 -68.7 -37.3 33.6 30.7 -4.2 26 26 A T H X S+ 0 0 1 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.914 109.2 53.3 -66.5 -39.4 37.1 32.3 -4.5 27 27 A A H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.910 107.5 51.1 -60.4 -43.8 38.5 29.8 -2.0 28 28 A A H X S+ 0 0 44 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.906 110.0 50.1 -61.6 -42.9 37.1 26.9 -4.0 29 29 A K H X S+ 0 0 83 -4,-1.8 4,-3.3 2,-0.2 -1,-0.2 0.902 111.9 46.3 -62.2 -44.2 38.7 28.3 -7.2 30 30 A L H < S+ 0 0 2 -4,-2.3 -1,-0.2 2,-0.2 -2,-0.2 0.834 111.5 52.5 -70.3 -31.0 42.2 28.7 -5.6 31 31 A K H < S+ 0 0 76 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.948 116.9 38.8 -65.6 -47.0 41.9 25.2 -4.1 32 32 A A H < S+ 0 0 71 -4,-2.4 -2,-0.2 1,-0.3 -3,-0.2 0.880 133.1 22.3 -69.0 -44.2 41.1 23.8 -7.6 33 33 A N S < S- 0 0 114 -4,-3.3 -1,-0.3 -5,-0.2 -2,-0.1 -0.804 82.1-147.4-132.9 95.2 43.6 26.0 -9.5 34 34 A P - 0 0 92 0, 0.0 -3,-0.1 0, 0.0 32,-0.1 -0.160 6.8-160.9 -59.3 146.2 46.5 27.6 -7.5 35 35 A Q > + 0 0 60 30,-0.2 3,-2.0 1,-0.1 4,-0.3 -0.642 13.7 174.7-130.3 73.7 48.0 31.0 -8.3 36 36 A P T 3 S+ 0 0 76 0, 0.0 -1,-0.1 0, 0.0 3,-0.0 0.517 80.3 42.5 -58.8 -11.1 51.4 31.0 -6.7 37 37 A E T > S+ 0 0 116 1,-0.1 3,-1.6 3,-0.1 29,-0.1 0.236 78.3 108.4-118.9 8.0 52.4 34.4 -8.2 38 38 A L T < S+ 0 0 42 -3,-2.0 29,-0.2 1,-0.3 28,-0.1 0.921 92.4 29.2 -53.5 -46.4 49.1 36.3 -7.6 39 39 A L T > S+ 0 0 2 27,-3.0 3,-2.2 -4,-0.3 -1,-0.3 -0.031 83.3 150.2-106.4 29.6 50.5 38.5 -4.8 40 40 A K T < S+ 0 0 112 -3,-1.6 28,-0.2 1,-0.3 3,-0.1 -0.387 71.8 23.7 -56.4 139.5 54.1 38.5 -6.1 41 41 A H T 3 S+ 0 0 155 26,-0.5 2,-0.4 1,-0.3 -1,-0.3 0.540 95.1 117.9 76.5 4.9 55.6 41.9 -5.0 42 42 A K < - 0 0 70 -3,-2.2 27,-2.7 25,-0.2 2,-0.5 -0.842 51.0-155.5 -99.9 146.2 53.1 42.4 -2.1 43 43 A V E -b 69 0A 46 -2,-0.4 57,-2.9 25,-0.2 58,-0.7 -0.996 11.7-164.2-119.5 123.0 54.6 42.5 1.4 44 44 A I E -bc 70 101A 1 25,-3.0 27,-2.4 -2,-0.5 2,-0.5 -0.888 14.3-136.1-112.0 139.0 52.2 41.5 4.2 45 45 A A E -bc 71 102A 2 56,-2.6 58,-2.8 -2,-0.4 2,-0.8 -0.830 9.5-162.6 -91.8 125.1 52.6 42.2 8.0 46 46 A S E -bc 72 103A 0 25,-2.5 27,-1.9 -2,-0.5 2,-0.9 -0.878 18.6-178.6-107.3 91.4 51.7 39.2 10.2 47 47 A C E +bc 73 104A 2 56,-3.0 58,-1.9 -2,-0.8 2,-1.2 -0.778 12.0 176.4-101.0 93.3 51.3 41.1 13.5 48 48 A F E + c 0 105A 0 25,-2.3 28,-0.5 -2,-0.9 58,-0.2 -0.690 10.5 167.7-100.9 83.8 50.5 38.8 16.3 49 49 A F S S+ 0 0 13 56,-1.8 27,-0.9 -2,-1.2 2,-0.5 0.786 84.9 45.9 -60.4 -27.8 50.4 41.1 19.4 50 50 A E S S- 0 0 60 55,-1.1 -1,-0.2 -3,-0.2 55,-0.1 -0.984 103.1-122.4-116.0 118.7 48.8 38.0 20.9 51 51 A A + 0 0 50 -2,-0.5 23,-0.1 23,-0.1 -2,-0.1 -0.312 39.8 161.6 -63.2 145.3 50.7 34.8 20.0 52 52 A S > - 0 0 13 -4,-0.1 4,-3.0 1,-0.0 3,-0.4 -0.395 15.0-172.7-166.5 79.5 48.7 32.1 18.2 53 53 A T H > S+ 0 0 89 1,-0.2 4,-2.3 2,-0.2 5,-0.3 0.796 82.9 49.4 -46.7 -45.3 50.8 29.6 16.4 54 54 A R H > S+ 0 0 130 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.931 117.1 40.8 -67.1 -41.3 48.1 27.7 14.6 55 55 A T H > S+ 0 0 11 -3,-0.4 4,-2.5 2,-0.2 -2,-0.2 0.897 115.9 49.5 -74.1 -38.7 46.5 30.8 13.2 56 56 A R H X S+ 0 0 54 -4,-3.0 4,-3.0 2,-0.2 5,-0.3 0.950 112.0 47.1 -65.6 -49.8 49.7 32.6 12.4 57 57 A L H X S+ 0 0 92 -4,-2.3 4,-2.7 -5,-0.2 5,-0.2 0.930 113.0 50.8 -57.7 -45.2 51.2 29.6 10.5 58 58 A S H X S+ 0 0 18 -4,-1.8 4,-2.1 -5,-0.3 -2,-0.2 0.958 114.1 42.5 -57.4 -49.1 48.0 29.2 8.6 59 59 A F H X S+ 0 0 0 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.936 115.6 49.0 -63.5 -47.2 47.8 32.9 7.5 60 60 A E H X S+ 0 0 39 -4,-3.0 4,-2.4 1,-0.2 -1,-0.2 0.898 109.2 52.0 -62.1 -40.6 51.5 33.1 6.7 61 61 A T H X S+ 0 0 56 -4,-2.7 4,-2.7 -5,-0.3 -1,-0.2 0.926 108.6 52.0 -60.1 -43.9 51.4 29.9 4.6 62 62 A S H X S+ 0 0 0 -4,-2.1 4,-0.9 -5,-0.2 -2,-0.2 0.892 107.9 52.3 -60.1 -40.0 48.4 31.4 2.7 63 63 A M H ><>S+ 0 0 0 -4,-2.1 5,-2.1 1,-0.2 3,-1.0 0.954 111.9 45.3 -60.4 -49.0 50.4 34.5 2.0 64 64 A H H ><5S+ 0 0 106 -4,-2.4 3,-2.2 1,-0.2 -2,-0.2 0.854 103.1 63.5 -64.8 -35.3 53.3 32.4 0.6 65 65 A R H 3<5S+ 0 0 160 -4,-2.7 -1,-0.2 1,-0.3 -27,-0.2 0.748 107.0 45.0 -63.7 -19.1 51.0 30.3 -1.5 66 66 A L T <<5S- 0 0 0 -3,-1.0 -27,-3.0 -4,-0.9 -1,-0.3 0.294 122.4-108.5-103.3 8.1 50.1 33.5 -3.4 67 67 A G T < 5 + 0 0 24 -3,-2.2 -26,-0.5 1,-0.2 -3,-0.2 0.562 68.8 144.4 80.8 8.8 53.8 34.5 -3.6 68 68 A A < - 0 0 3 -5,-2.1 2,-0.3 -28,-0.2 -1,-0.2 -0.407 47.8-121.9 -79.6 157.0 53.6 37.4 -1.2 69 69 A S E -b 43 0A 69 -27,-2.7 -25,-3.0 -30,-0.3 2,-0.4 -0.679 26.0-145.3 -93.8 156.6 56.5 38.3 1.2 70 70 A V E +b 44 0A 37 -2,-0.3 2,-0.3 -27,-0.2 -25,-0.2 -0.979 21.7 172.1-132.0 133.1 56.0 38.4 5.0 71 71 A V E +b 45 0A 74 -27,-2.4 -25,-2.5 -2,-0.4 2,-0.3 -0.938 31.2 108.2-128.4 153.5 57.3 40.5 7.8 72 72 A G E -b 46 0A 53 -2,-0.3 2,-0.3 -27,-0.2 -25,-0.2 -0.998 41.8-124.9 171.9-167.0 56.0 40.3 11.3 73 73 A F E -b 47 0A 48 -27,-1.9 -25,-2.3 -2,-0.3 2,-0.2 -0.933 13.2-166.7-159.2 176.1 56.2 39.4 15.0 74 74 A S + 0 0 38 -2,-0.3 3,-0.2 -27,-0.2 -23,-0.1 -0.644 57.9 48.7-146.5-155.9 54.4 37.5 17.9 75 75 A D - 0 0 112 1,-0.2 2,-5.0 -2,-0.2 3,-0.2 0.592 63.1-152.7 13.0 65.3 54.2 36.9 21.7 76 76 A S + 0 0 5 -27,-0.9 -1,-0.2 -28,-0.5 -27,-0.1 -0.103 33.7 160.0 -58.7 55.6 54.2 40.7 22.5 77 77 A A S S- 0 0 80 -2,-5.0 -1,-0.2 -3,-0.2 -2,-0.1 0.657 93.3 -33.9 -51.1 -14.0 55.8 39.8 25.9 78 78 A N S >S+ 0 0 87 -3,-0.2 6,-0.8 3,-0.1 5,-0.6 -0.119 76.2 179.7-167.9 -72.9 56.6 43.5 25.5 79 79 A T T >5 - 0 0 42 -4,-0.2 4,-1.4 4,-0.1 5,-0.4 0.977 27.2-142.8 46.8 80.7 57.2 44.3 21.8 80 80 A S T 45S+ 0 0 62 1,-0.2 2,-1.1 2,-0.2 6,-0.5 0.718 96.9 58.5 -42.6 -31.9 58.0 48.1 22.3 81 81 A L T 45S+ 0 0 51 1,-0.1 -1,-0.2 3,-0.1 7,-0.1 -0.780 116.7 28.9-100.6 81.7 56.1 48.8 19.0 82 82 A G T 45S- 0 0 5 -2,-1.1 -2,-0.2 4,-0.2 -3,-0.1 -0.020 132.3 -1.3 163.5 -48.3 52.9 47.3 20.2 83 83 A K S < - 0 0 35 1,-0.1 4,-1.8 -6,-0.1 5,-0.1 -0.362 18.5-119.7 -73.6 160.5 49.9 53.4 21.4 88 88 A L H > S+ 0 0 2 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.873 116.4 60.7 -63.4 -38.1 48.5 50.8 19.0 89 89 A A H > S+ 0 0 0 1,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.935 105.9 44.1 -54.7 -50.2 47.6 53.8 16.8 90 90 A D H > S+ 0 0 81 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.860 111.6 54.1 -64.5 -36.9 51.2 54.8 16.5 91 91 A T H X S+ 0 0 0 -4,-1.8 4,-2.8 2,-0.2 -2,-0.2 0.931 113.7 42.1 -63.7 -43.5 52.3 51.2 15.9 92 92 A I H X S+ 0 0 0 -4,-2.9 4,-3.1 2,-0.2 -2,-0.2 0.907 108.5 58.8 -70.2 -39.1 49.8 51.0 13.0 93 93 A S H < S+ 0 0 42 -4,-3.0 -1,-0.2 -5,-0.2 -2,-0.2 0.877 114.2 39.1 -58.2 -37.1 50.7 54.4 11.7 94 94 A V H >< S+ 0 0 52 -4,-1.9 3,-2.6 2,-0.2 4,-0.5 0.976 115.2 50.3 -76.5 -54.1 54.3 53.2 11.3 95 95 A I H >X S+ 0 0 11 -4,-2.8 4,-1.6 1,-0.3 3,-1.4 0.819 103.1 62.4 -53.8 -34.3 53.5 49.7 10.1 96 96 A S T 3< S+ 0 0 18 -4,-3.1 -1,-0.3 1,-0.3 -2,-0.2 0.606 95.5 58.2 -75.1 -4.9 51.2 51.0 7.5 97 97 A T T <4 S+ 0 0 110 -3,-2.6 -1,-0.3 -4,-0.2 -2,-0.2 0.535 111.5 44.3 -93.0 -7.1 54.0 53.0 5.7 98 98 A Y T <4 S+ 0 0 153 -3,-1.4 2,-0.2 -4,-0.5 -2,-0.2 0.794 108.6 45.2-100.6 -37.6 55.9 49.6 5.2 99 99 A V < - 0 0 7 -4,-1.6 -55,-0.2 1,-0.1 3,-0.1 -0.649 61.5-132.9-117.5 171.1 53.4 47.0 4.0 100 100 A D S S+ 0 0 57 -57,-2.9 2,-0.3 1,-0.3 -56,-0.2 0.666 92.6 4.7 -89.4 -23.2 50.5 46.3 1.6 101 101 A A E -c 44 0A 0 -58,-0.7 -56,-2.6 21,-0.2 2,-0.5 -0.983 63.5-139.1-158.8 156.5 48.2 44.7 4.2 102 102 A I E -cd 45 124A 0 21,-2.5 23,-3.7 -2,-0.3 2,-0.5 -0.984 8.7-170.2-126.9 123.5 48.1 44.0 7.9 103 103 A V E +cd 46 125A 0 -58,-2.8 -56,-3.0 -2,-0.5 2,-0.4 -0.959 25.0 179.8-106.9 127.2 46.9 40.8 9.5 104 104 A M E -cd 47 126A 1 21,-2.3 23,-3.1 -2,-0.5 24,-0.5 -0.995 28.4-172.2-142.7 142.8 46.6 41.2 13.2 105 105 A R E +c 48 0A 26 -58,-1.9 -56,-1.8 -2,-0.4 -55,-1.1 -0.982 21.1 171.7-126.3 133.4 45.6 39.4 16.4 106 106 A H E - d 0 129A 7 22,-2.7 24,-2.0 -2,-0.4 6,-0.1 -0.977 38.9-127.3-145.0 149.2 45.4 41.4 19.6 107 107 A P S S+ 0 0 49 0, 0.0 2,-0.4 0, 0.0 24,-0.2 0.650 87.4 77.9 -75.6 -14.4 44.2 40.6 23.2 108 108 A Q S > S- 0 0 46 22,-0.2 3,-1.4 23,-0.1 316,-0.2 -0.816 86.2-113.3-103.0 138.2 41.9 43.6 23.3 109 109 A E B 3 S+e 424 0B 11 314,-0.7 316,-2.6 -2,-0.4 342,-0.3 -0.391 100.2 22.2 -64.6 138.5 38.4 43.9 21.7 110 110 A G T 3> S+ 0 0 0 340,-0.3 4,-2.8 19,-0.3 -1,-0.2 0.347 82.0 126.0 87.0 -2.3 38.2 46.4 18.8 111 111 A A H <> S+ 0 0 0 -3,-1.4 4,-2.4 1,-0.2 5,-0.1 0.908 75.0 46.3 -54.8 -46.6 42.0 46.4 18.2 112 112 A A H > S+ 0 0 0 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.909 111.4 51.4 -66.7 -39.7 41.6 45.7 14.5 113 113 A R H > S+ 0 0 44 337,-0.2 4,-0.8 1,-0.2 -1,-0.2 0.917 110.6 49.5 -63.5 -39.9 38.9 48.3 14.1 114 114 A L H >< S+ 0 0 0 -4,-2.8 3,-1.4 1,-0.2 4,-0.3 0.926 107.0 55.2 -62.1 -42.8 41.1 50.8 15.7 115 115 A A H >X S+ 0 0 0 -4,-2.4 3,-2.3 1,-0.3 4,-1.2 0.899 97.8 63.4 -54.7 -44.7 44.0 49.9 13.4 116 116 A T H 3< S+ 0 0 27 -4,-1.9 -1,-0.3 1,-0.3 4,-0.3 0.816 97.9 58.2 -49.4 -34.6 41.8 50.5 10.4 117 117 A E T << S+ 0 0 75 -3,-1.4 -1,-0.3 -4,-0.8 -2,-0.2 0.541 115.4 32.6 -81.1 -4.3 41.6 54.3 11.6 118 118 A F T <4 S+ 0 0 58 -3,-2.3 -1,-0.2 -4,-0.3 -2,-0.2 0.416 99.1 81.0-128.4 0.8 45.3 54.8 11.4 119 119 A S S >< S- 0 0 1 -4,-1.2 3,-2.3 -3,-0.3 -2,-0.1 0.449 70.9-163.3 -90.4 1.2 46.3 52.4 8.5 120 120 A G T 3 S- 0 0 61 1,-0.3 -1,-0.2 -4,-0.3 -2,-0.1 -0.250 72.5 -6.5 54.2-127.6 45.4 54.8 5.7 121 121 A N T 3 S+ 0 0 127 -25,-0.1 -1,-0.3 2,-0.1 -2,-0.0 0.414 111.4 107.4 -79.0 6.8 45.1 53.0 2.4 122 122 A V < - 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0 0 19 -5,-3.6 -1,-0.2 -6,-0.1 2,-0.1 -0.800 40.3-120.3 -98.4 133.6 15.2 31.0 13.1 208 208 A A + 0 0 53 -2,-0.4 -24,-2.5 -26,-0.4 2,-0.3 -0.419 39.5 158.0 -73.3 138.7 14.6 27.7 15.0 209 209 A W E -h 184 0C 68 -26,-0.2 2,-0.3 -2,-0.1 -24,-0.2 -0.978 14.2-170.9-154.9 147.8 16.9 26.6 17.8 210 210 A S E -h 185 0C 30 -26,-2.0 -24,-3.4 -2,-0.3 2,-0.4 -0.955 20.8-124.0-139.4 159.0 16.7 24.3 20.8 211 211 A L E -h 186 0C 107 -2,-0.3 2,-0.3 -26,-0.2 -24,-0.2 -0.861 28.2-178.2-102.9 140.4 18.7 23.4 23.9 212 212 A H - 0 0 34 -26,-1.9 -24,-0.5 -2,-0.4 3,-0.1 -0.998 28.4-143.3-139.1 142.1 19.8 19.8 24.6 213 213 A S S S+ 0 0 88 -2,-0.3 2,-0.3 -26,-0.2 -1,-0.1 0.786 83.6 16.6 -74.2 -29.7 21.6 18.2 27.5 214 214 A S S >> S- 0 0 32 1,-0.1 3,-0.5 33,-0.1 4,-0.5 -0.962 71.2-115.5-144.8 163.6 23.6 15.7 25.4 215 215 A I H >> S+ 0 0 8 31,-0.4 4,-2.7 -2,-0.3 3,-1.1 0.823 105.5 67.5 -61.1 -42.0 24.7 14.9 21.8 216 216 A E H 34 S+ 0 0 104 1,-0.3 4,-0.4 2,-0.2 -1,-0.2 0.806 89.3 63.6 -55.6 -34.4 22.7 11.7 21.6 217 217 A E H <4 S+ 0 0 103 -3,-0.5 -1,-0.3 1,-0.2 3,-0.2 0.906 121.9 21.1 -56.8 -38.9 19.3 13.5 21.7 218 218 A V H XX S+ 0 0 0 -3,-1.1 3,-2.8 -4,-0.5 4,-0.6 0.671 89.3 104.0-108.3 -16.3 20.2 15.1 18.5 219 219 A M T 3< S+ 0 0 1 -4,-2.7 39,-0.6 1,-0.3 3,-0.4 0.678 78.2 61.2 -37.8 -31.4 22.9 13.0 16.8 220 220 A A T 34 S+ 0 0 52 -4,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.673 109.8 35.8 -79.5 -16.7 20.5 11.5 14.3 221 221 A E T <4 S+ 0 0 76 -3,-2.8 2,-0.3 37,-0.1 -1,-0.2 0.370 89.6 111.6-118.3 9.2 19.4 14.6 12.6 222 222 A V < - 0 0 0 -4,-0.6 36,-0.5 -3,-0.4 -65,-0.2 -0.621 37.1-176.8 -90.6 139.6 22.6 16.7 12.5 223 223 A D S S+ 0 0 9 -67,-2.5 39,-1.8 1,-0.3 2,-0.4 0.761 82.5 29.0 -95.6 -33.3 24.5 17.6 9.4 224 224 A I E -gi 157 262C 0 -68,-1.7 -66,-3.5 37,-0.2 2,-0.7 -0.997 59.4-168.4-134.2 127.7 27.2 19.4 11.4 225 225 A L E -gi 158 263C 0 37,-2.2 39,-2.4 -2,-0.4 2,-0.7 -0.937 15.3-169.6-111.9 100.5 28.4 18.7 14.9 226 226 A Y E -gi 159 264C 0 -68,-3.2 -66,-2.6 -2,-0.7 2,-0.3 -0.861 5.1-167.2 -98.1 112.9 30.6 21.7 15.8 227 227 A M E -g 160 0C 0 37,-3.0 2,-0.3 -2,-0.7 40,-0.2 -0.701 1.4-162.9 -98.7 152.2 32.5 21.1 19.0 228 228 A T - 0 0 9 -68,-1.1 2,-0.3 -2,-0.3 -65,-0.1 -0.955 28.1 -98.9-133.2 156.5 34.4 23.8 21.1 229 229 A R - 0 0 96 -2,-0.3 2,-0.9 -68,-0.1 -67,-0.1 -0.550 28.2-140.2 -75.5 125.7 37.1 23.6 23.8 230 230 A V - 0 0 13 -2,-0.3 2,-0.7 17,-0.1 -1,-0.1 -0.803 23.5-127.7 -89.2 109.0 35.7 24.0 27.2 231 231 A Q >> - 0 0 24 -2,-0.9 3,-1.4 1,-0.2 4,-0.8 -0.443 17.9-160.5 -60.1 105.5 38.3 26.2 28.9 232 232 A K G >4 S+ 0 0 109 -2,-0.7 3,-0.5 1,-0.2 -1,-0.2 0.871 85.3 68.2 -54.5 -40.9 39.1 24.2 32.1 233 233 A E G 34 S+ 0 0 127 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.1 0.724 96.1 54.9 -53.7 -26.7 40.6 27.3 33.7 234 234 A R G <4 S+ 0 0 122 -3,-1.4 -1,-0.2 2,-0.1 -2,-0.2 0.888 103.0 59.5 -74.9 -44.4 37.1 28.9 33.9 235 235 A L S << S- 0 0 19 -4,-0.8 3,-0.0 -3,-0.5 -5,-0.0 -0.411 93.1-101.1 -86.4 161.0 35.4 26.1 35.8 236 236 A D > - 0 0 85 1,-0.1 4,-3.2 -2,-0.1 3,-0.4 -0.623 37.5-117.0 -78.0 138.1 36.1 24.6 39.2 237 237 A P H > S+ 0 0 77 0, 0.0 4,-2.4 0, 0.0 -1,-0.1 0.883 117.2 44.9 -43.0 -46.2 38.0 21.3 38.7 238 238 A S H > S+ 0 0 79 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.858 111.7 52.0 -67.0 -38.3 35.1 19.4 40.4 239 239 A E H > S+ 0 0 75 -3,-0.4 4,-1.2 2,-0.2 5,-0.2 0.940 110.5 48.2 -64.3 -46.6 32.5 21.3 38.4 240 240 A Y H >X S+ 0 0 28 -4,-3.2 4,-2.8 1,-0.2 3,-0.7 0.927 109.2 53.5 -61.0 -43.4 34.4 20.4 35.2 241 241 A A H 3< S+ 0 0 58 -4,-2.4 4,-0.5 -5,-0.3 -1,-0.2 0.924 110.3 48.0 -57.2 -43.4 34.6 16.8 36.3 242 242 A N H 3< S+ 0 0 136 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.671 122.1 33.3 -71.0 -18.9 30.8 16.6 36.9 243 243 A V H X< S+ 0 0 34 -4,-1.2 3,-1.0 -3,-0.7 4,-0.5 0.648 90.8 87.3-114.1 -20.3 29.9 18.2 33.6 244 244 A K G >< S+ 0 0 100 -4,-2.8 3,-2.0 1,-0.2 4,-0.2 0.843 75.3 72.8 -53.3 -38.7 32.5 17.1 31.1 245 245 A A G > S+ 0 0 63 -4,-0.5 3,-1.1 1,-0.3 -1,-0.2 0.825 94.7 49.6 -48.0 -41.9 30.7 13.9 30.0 246 246 A Q G < S+ 0 0 82 -3,-1.0 -31,-0.4 1,-0.2 -1,-0.3 0.646 111.1 51.0 -77.8 -8.0 27.9 15.6 28.0 247 247 A F G < S+ 0 0 11 -3,-2.0 2,-0.4 -4,-0.5 -1,-0.2 0.217 94.3 81.8-117.4 21.7 30.3 17.7 26.1 248 248 A V < - 0 0 24 -3,-1.1 2,-0.4 -4,-0.2 25,-0.2 -0.953 63.3-143.3-126.6 146.9 32.8 15.1 24.9 249 249 A L B -k 273 0D 1 23,-3.1 25,-2.8 -2,-0.4 2,-0.3 -0.887 14.9-179.9-115.5 137.5 32.6 12.7 21.9 250 250 A R > - 0 0 119 -2,-0.4 3,-1.0 23,-0.2 4,-0.2 -0.814 44.7-107.6-122.8 163.7 33.7 9.1 21.3 251 251 A A G > S+ 0 0 28 -2,-0.3 3,-2.4 1,-0.2 4,-0.2 0.867 117.3 66.0 -63.0 -34.3 33.2 7.1 18.1 252 252 A S G > S+ 0 0 78 1,-0.3 3,-1.1 2,-0.2 -1,-0.2 0.801 90.5 63.9 -58.2 -27.3 30.5 5.1 19.9 253 253 A D G < S+ 0 0 30 -3,-1.0 3,-0.3 1,-0.2 -1,-0.3 0.624 95.4 63.6 -70.9 -8.0 28.4 8.2 20.1 254 254 A L G X + 0 0 11 -3,-2.4 3,-1.1 -4,-0.2 -1,-0.2 0.490 64.7 100.0 -95.1 -4.6 28.3 8.2 16.2 255 255 A H T < S+ 0 0 138 -3,-1.1 -1,-0.2 1,-0.3 -2,-0.1 0.834 91.0 46.4 -46.3 -34.9 26.5 4.9 15.6 256 256 A N T 3 S+ 0 0 68 -3,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 0.701 87.4 120.9 -78.9 -33.2 23.4 7.0 15.0 257 257 A A < - 0 0 18 -3,-1.1 -37,-0.2 -4,-0.1 -38,-0.1 0.062 67.0-109.0 -46.3 142.6 24.9 9.7 12.7 258 258 A K > - 0 0 64 -39,-0.6 3,-1.0 -36,-0.5 -1,-0.1 -0.345 32.3-115.1 -66.3 153.8 23.7 10.6 9.3 259 259 A A T 3 S+ 0 0 96 1,-0.2 -1,-0.1 3,-0.0 -2,-0.1 0.878 115.2 50.0 -59.1 -40.5 26.2 9.5 6.5 260 260 A N T 3 S+ 0 0 62 2,-0.0 -1,-0.2 -111,-0.0 -37,-0.1 0.512 83.6 122.3 -74.5 -12.1 26.8 13.2 5.5 261 261 A M < - 0 0 0 -3,-1.0 2,-0.4 -39,-0.1 -37,-0.2 -0.262 41.3-168.6 -60.9 135.0 27.5 14.3 9.1 262 262 A K E -i 224 0C 28 -39,-1.8 -37,-2.2 22,-0.0 2,-0.5 -0.976 15.6-139.7-127.2 143.2 30.9 16.0 9.8 263 263 A V E -ij 225 283C 0 19,-3.1 21,-1.6 -2,-0.4 2,-0.3 -0.899 23.9-173.2-101.5 125.1 32.4 16.8 13.1 264 264 A L E +i 226 0C 0 -39,-2.4 -37,-3.0 -2,-0.5 21,-0.1 -0.815 11.3 173.9-115.7 156.6 34.2 20.2 13.2 265 265 A H - 0 0 1 -2,-0.3 -37,-0.2 -39,-0.2 24,-0.1 -0.832 31.4-141.5-163.3 120.2 36.4 21.7 16.0 266 266 A P - 0 0 27 0, 0.0 -38,-0.1 0, 0.0 3,-0.1 0.701 69.1-100.5 -60.4 -15.3 38.3 25.0 15.7 267 267 A L S S+ 0 0 26 -40,-0.2 2,-0.1 1,-0.2 -38,-0.1 0.353 96.3 90.8 75.3 153.6 41.1 23.2 17.8 268 268 A P + 0 0 57 0, 0.0 -1,-0.2 0, 0.0 2,-0.2 0.506 54.5 171.0 -77.0 147.6 42.8 22.3 20.0 269 269 A R + 0 0 38 -2,-0.1 -40,-0.1 1,-0.1 5,-0.0 -0.472 27.5 120.4-102.9-174.1 40.5 19.4 20.8 270 270 A V S S+ 0 0 96 -2,-0.2 5,-0.1 -3,-0.0 -1,-0.1 -0.046 79.4 43.0 146.0 -41.3 42.0 16.9 23.4 271 271 A D S S+ 0 0 95 -3,-0.1 3,-0.1 3,-0.1 -2,-0.1 0.493 121.3 38.1-109.5 -8.2 39.5 17.1 26.1 272 272 A E S S+ 0 0 4 1,-0.2 -23,-3.1 -24,-0.1 2,-0.5 0.695 110.4 50.2-116.1 -22.0 36.4 17.0 24.0 273 273 A I B S-k 249 0D 4 -25,-0.2 -1,-0.2 -46,-0.0 -23,-0.2 -0.952 75.3-137.9-123.3 113.6 37.1 14.6 21.0 274 274 A A > - 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