==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 14-MAY-01 1INI . COMPND 2 MOLECULE: 4-DIPHOSPHOCYTIDYL-2-C-METHYLERYTHRITOL SYNTHETAS . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR S.B.RICHARD,M.E.BOWMAN,W.KWIATKOWSKI,I.KANG,C.CHOW,A.LILLO,D . 225 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11879.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 146 64.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 10.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 21 9.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 18 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 14.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 46 20.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.9 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 0 0 0 1 1 1 2 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 2 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 PARALLEL BRIDGES PER LADDER . 0 1 0 2 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 ANTIPARALLEL BRIDGES PER LADDER . 2 0 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 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 4 A T > 0 0 143 0, 0.0 3,-1.1 0, 0.0 96,-0.4 0.000 360.0 360.0 360.0 -24.8 26.8 -15.7 12.8 2 5 A H T 3 + 0 0 70 1,-0.3 95,-0.1 94,-0.1 96,-0.1 0.858 360.0 50.0 -58.0 -37.4 29.3 -18.2 11.4 3 6 A L T 3 S+ 0 0 81 94,-0.1 -1,-0.3 2,-0.1 2,-0.1 0.588 82.2 118.0 -80.3 -10.2 32.0 -15.5 11.1 4 7 A D < - 0 0 60 -3,-1.1 94,-0.8 44,-0.1 93,-0.6 -0.363 46.8-164.5 -61.4 135.0 31.5 -14.2 14.7 5 8 A V E -ab 48 98A 2 42,-2.6 44,-1.8 91,-0.1 45,-1.1 -0.954 12.0-154.7-124.9 137.4 34.7 -14.6 16.8 6 9 A C E -ab 50 99A 3 92,-2.0 94,-2.3 -2,-0.4 2,-0.3 -0.931 16.4-148.6-109.2 137.6 35.1 -14.4 20.5 7 10 A A E -ab 51 100A 0 43,-2.9 45,-3.7 -2,-0.4 2,-0.4 -0.817 6.5-160.2-108.4 146.3 38.5 -13.4 21.8 8 11 A V E -ab 52 101A 0 92,-3.1 94,-2.3 -2,-0.3 45,-0.2 -0.993 4.7-167.9-122.9 128.2 40.1 -14.5 25.1 9 12 A V E -a 53 0A 0 43,-3.1 45,-2.3 -2,-0.4 2,-0.6 -0.911 12.2-149.2-121.1 105.3 43.0 -12.5 26.6 10 13 A P E +a 54 0A 14 0, 0.0 94,-1.6 0, 0.0 95,-0.3 -0.620 36.4 149.3 -73.4 117.5 44.9 -14.2 29.4 11 14 A A + 0 0 4 43,-2.2 45,-0.5 -2,-0.6 67,-0.1 -0.088 34.6 104.3-140.4 34.9 46.1 -11.2 31.6 12 15 A A + 0 0 8 43,-0.3 43,-0.1 70,-0.1 2,-0.1 0.318 47.4 123.9-101.4 5.8 46.2 -12.7 35.1 13 16 A G - 0 0 42 1,-0.1 12,-0.2 43,-0.1 43,-0.1 -0.419 53.2-153.7 -70.3 141.5 50.0 -13.0 35.2 14 17 A F - 0 0 151 -2,-0.1 3,-0.2 9,-0.1 -1,-0.1 0.601 29.5-144.9 -86.3 -15.3 51.8 -11.4 38.1 15 18 A G > - 0 0 9 1,-0.2 2,-2.1 8,-0.1 3,-1.5 0.907 24.7-179.6 51.5 54.7 54.8 -11.1 35.8 16 19 A R T 3 S+ 0 0 238 1,-0.3 -1,-0.2 2,-0.2 197,-0.1 -0.497 73.7 69.9 -86.7 71.2 57.5 -11.6 38.4 17 20 A R T 3 S+ 0 0 141 -2,-2.1 -1,-0.3 195,-0.3 -2,-0.1 -0.058 86.8 68.8-161.8 6.5 60.2 -11.3 35.8 18 21 A M S < S- 0 0 4 -3,-1.5 2,-3.0 195,-0.2 -2,-0.2 0.490 85.8-153.9-107.1 -15.6 59.4 -7.6 35.5 19 22 A Q + 0 0 94 -4,-0.2 -3,-0.1 1,-0.1 -1,-0.0 -0.216 61.0 105.3 69.7 -51.4 60.7 -6.9 39.0 20 23 A T S S- 0 0 77 -2,-3.0 -2,-0.2 2,-0.2 -3,-0.1 -0.235 80.1-127.1 -60.6 146.8 58.4 -3.9 39.3 21 24 A E S S+ 0 0 207 -3,-0.1 -1,-0.1 2,-0.1 -2,-0.1 0.461 92.8 88.5 -72.7 -0.5 55.3 -4.3 41.6 22 25 A C S S- 0 0 48 -4,-0.1 -2,-0.2 -7,-0.1 5,-0.1 -0.899 88.7-116.4-104.2 117.1 53.4 -3.1 38.5 23 26 A P > - 0 0 38 0, 0.0 3,-1.2 0, 0.0 4,-0.3 -0.115 19.2-122.8 -50.7 143.3 52.3 -5.8 36.1 24 27 A K G > S+ 0 0 22 1,-0.3 3,-1.5 2,-0.2 10,-0.3 0.861 110.4 58.7 -57.2 -39.5 53.8 -5.7 32.6 25 28 A Q G 3 S+ 0 0 8 1,-0.3 10,-2.8 -12,-0.2 11,-0.3 0.731 104.8 52.4 -65.9 -19.1 50.4 -5.5 31.0 26 29 A Y G < S+ 0 0 5 -3,-1.2 -1,-0.3 8,-0.2 -2,-0.2 0.427 83.3 107.0 -97.3 1.2 49.6 -2.3 32.9 27 30 A L S < S- 0 0 28 -3,-1.5 7,-2.0 -4,-0.3 2,-0.4 -0.383 71.1-118.4 -71.0 160.1 52.8 -0.5 31.9 28 31 A S E -G 33 0B 66 5,-0.2 2,-0.4 6,-0.1 5,-0.2 -0.863 28.6-178.4-115.3 142.5 52.2 2.3 29.4 29 32 A I E > S-G 32 0B 8 3,-2.9 3,-0.8 -2,-0.4 2,-0.2 -0.985 72.8 -32.9-131.0 115.5 53.3 2.9 25.9 30 33 A G T 3 S- 0 0 66 -2,-0.4 191,-0.0 1,-0.2 -2,-0.0 -0.512 126.5 -24.0 71.7-138.8 52.0 6.2 24.4 31 34 A N T 3 S+ 0 0 153 -2,-0.2 2,-0.3 -3,-0.1 -1,-0.2 -0.073 127.0 62.3 -98.2 35.4 48.6 7.1 25.7 32 35 A Q E < S-G 29 0B 41 -3,-0.8 -3,-2.9 4,-0.0 2,-0.1 -0.999 78.1-108.1-156.9 156.5 47.7 3.5 26.6 33 36 A T E > -G 28 0B 2 -2,-0.3 4,-2.2 -5,-0.2 -5,-0.2 -0.440 38.2-112.2 -80.7 160.0 48.5 0.4 28.7 34 37 A I H > S+ 0 0 0 -7,-2.0 4,-2.5 -10,-0.3 5,-0.2 0.910 120.1 55.1 -56.3 -43.3 50.0 -2.7 27.1 35 38 A L H > S+ 0 0 0 -10,-2.8 4,-2.7 -8,-0.2 -1,-0.2 0.928 107.4 48.1 -56.2 -48.5 46.7 -4.5 27.8 36 39 A E H > S+ 0 0 15 -11,-0.3 4,-2.7 1,-0.2 -1,-0.2 0.880 109.5 53.1 -62.7 -37.9 44.7 -1.8 25.9 37 40 A H H X S+ 0 0 37 -4,-2.2 4,-1.6 2,-0.2 -1,-0.2 0.951 111.9 45.7 -59.7 -50.2 47.1 -2.0 23.0 38 41 A S H X S+ 0 0 0 -4,-2.5 4,-1.2 66,-0.3 -2,-0.2 0.924 115.1 46.3 -58.9 -48.5 46.6 -5.8 22.8 39 42 A V H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 3,-0.2 0.891 109.5 53.3 -65.0 -41.1 42.8 -5.6 23.1 40 43 A H H X S+ 0 0 67 -4,-2.7 4,-1.4 1,-0.2 -1,-0.2 0.843 102.5 59.8 -65.0 -28.5 42.4 -2.8 20.6 41 44 A A H < S+ 0 0 11 -4,-1.6 4,-0.3 -5,-0.2 -1,-0.2 0.899 110.5 41.4 -65.3 -39.6 44.4 -4.8 18.0 42 45 A L H >< S+ 0 0 0 -4,-1.2 3,-1.4 -3,-0.2 6,-0.3 0.895 112.6 53.0 -72.6 -42.0 41.7 -7.6 18.3 43 46 A L H 3< S+ 0 0 30 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.725 93.6 74.8 -67.3 -19.6 38.8 -5.2 18.4 44 47 A A T 3< S+ 0 0 57 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.723 82.6 79.2 -64.7 -23.4 40.1 -3.6 15.2 45 48 A H S X S- 0 0 32 -3,-1.4 3,-1.5 -4,-0.3 66,-0.0 -0.785 80.3-138.0 -93.3 129.4 38.9 -6.6 13.2 46 49 A P T 3 S+ 0 0 97 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.757 98.9 61.2 -51.3 -34.5 35.1 -6.7 12.4 47 50 A R T 3 S+ 0 0 28 -43,-0.1 -42,-2.6 1,-0.1 2,-1.2 0.769 80.8 89.4 -69.6 -25.3 34.8 -10.3 13.2 48 51 A V E < +a 5 0A 2 -3,-1.5 -42,-0.2 -6,-0.3 -1,-0.1 -0.622 47.8 164.9 -79.7 99.1 35.8 -10.0 16.8 49 52 A K E + 0 0 95 -44,-1.8 2,-0.3 -2,-1.2 -1,-0.2 0.765 61.2 20.8 -85.7 -28.7 32.5 -9.3 18.5 50 53 A R E -a 6 0A 75 -45,-1.1 -43,-2.9 -3,-0.2 2,-0.4 -0.985 57.5-158.0-144.8 148.7 33.5 -10.0 22.1 51 54 A V E -ac 7 73A 0 21,-2.7 23,-2.5 -2,-0.3 2,-0.6 -0.984 7.0-160.2-131.1 122.0 36.7 -10.0 24.1 52 55 A V E -ac 8 74A 0 -45,-3.7 -43,-3.1 -2,-0.4 2,-0.5 -0.903 10.6-162.2-102.1 121.1 36.9 -11.9 27.4 53 56 A I E -ac 9 75A 0 21,-2.9 23,-2.4 -2,-0.6 2,-0.5 -0.922 4.8-153.0-107.7 125.2 39.8 -10.8 29.6 54 57 A A E +ac 10 76A 0 -45,-2.3 -43,-2.2 -2,-0.5 2,-0.2 -0.869 23.3 173.4 -98.3 125.1 41.0 -13.0 32.4 55 58 A I E - c 0 77A 15 21,-2.4 23,-3.7 -2,-0.5 -43,-0.3 -0.773 37.3 -85.3-125.2 170.5 42.7 -11.1 35.3 56 59 A S > - 0 0 21 -45,-0.5 3,-2.7 -2,-0.2 23,-0.1 -0.525 34.3-123.8 -76.3 143.2 44.0 -11.8 38.8 57 60 A P T 3 S+ 0 0 99 0, 0.0 -1,-0.1 0, 0.0 20,-0.0 0.819 116.2 50.4 -55.7 -29.7 41.4 -11.9 41.6 58 61 A G T 3 S+ 0 0 63 2,-0.0 2,-0.6 0, 0.0 -2,-0.1 0.303 82.2 124.1 -92.0 10.2 43.6 -9.3 43.4 59 62 A D < + 0 0 32 -3,-2.7 4,-0.2 1,-0.2 -4,-0.1 -0.599 24.0 161.5 -75.2 117.3 43.7 -7.1 40.2 60 63 A S + 0 0 99 -2,-0.6 -1,-0.2 2,-0.1 4,-0.1 0.429 61.4 68.5-116.7 -1.7 42.5 -3.6 41.0 61 64 A R S > S+ 0 0 104 2,-0.1 3,-1.1 1,-0.1 4,-0.1 0.725 84.9 70.2 -90.5 -20.5 43.9 -1.6 38.1 62 65 A F G > S+ 0 0 10 1,-0.3 3,-2.5 2,-0.2 6,-0.4 0.945 93.0 56.2 -59.7 -48.7 41.6 -3.1 35.4 63 66 A A G 3 S+ 0 0 65 1,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 0.641 101.5 60.2 -59.9 -12.9 38.5 -1.5 36.8 64 67 A Q G < S+ 0 0 147 -3,-1.1 -1,-0.3 -4,-0.1 -2,-0.2 0.352 89.7 90.2 -96.9 7.1 40.3 1.9 36.4 65 68 A L S X S- 0 0 13 -3,-2.5 3,-1.6 -4,-0.1 4,-0.3 -0.716 85.3-119.6-101.6 154.0 40.8 1.5 32.6 66 69 A P G > S+ 0 0 103 0, 0.0 3,-1.0 0, 0.0 4,-0.2 0.761 111.5 68.0 -59.9 -25.1 38.3 2.6 29.9 67 70 A L G > S+ 0 0 3 1,-0.2 3,-1.6 2,-0.2 6,-0.2 0.773 80.8 77.6 -65.5 -27.6 38.1 -1.0 28.8 68 71 A A G < S+ 0 0 33 -3,-1.6 -1,-0.2 -6,-0.4 7,-0.1 0.824 102.7 35.4 -51.5 -36.7 36.3 -1.8 32.0 69 72 A N G < S+ 0 0 154 -3,-1.0 -1,-0.3 -4,-0.3 -2,-0.2 0.271 85.5 130.0-104.3 10.0 33.0 -0.3 30.7 70 73 A H X - 0 0 50 -3,-1.6 3,-1.7 -4,-0.2 -3,-0.0 -0.467 57.8-137.3 -68.8 127.2 33.4 -1.4 27.0 71 74 A P T 3 S+ 0 0 126 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.711 103.2 49.2 -59.3 -20.0 30.2 -3.1 25.7 72 75 A Q T 3 S+ 0 0 69 -22,-0.1 -21,-2.7 -5,-0.1 2,-0.4 0.508 96.5 91.3 -97.9 -3.1 32.3 -5.8 23.9 73 76 A I E < -c 51 0A 21 -3,-1.7 2,-0.4 -23,-0.2 -21,-0.2 -0.798 48.6-177.6-103.2 132.7 34.4 -6.6 26.9 74 77 A T E -c 52 0A 44 -23,-2.5 -21,-2.9 -2,-0.4 2,-0.4 -0.958 13.6-150.9-120.6 139.5 33.7 -9.2 29.6 75 78 A V E +c 53 0A 72 -2,-0.4 2,-0.3 -23,-0.2 -21,-0.2 -0.940 20.2 164.7-116.6 134.3 36.0 -9.7 32.6 76 79 A V E -c 54 0A 33 -23,-2.4 -21,-2.4 -2,-0.4 2,-0.3 -0.900 40.9 -93.5-136.2 166.9 36.6 -13.0 34.5 77 80 A D E -c 55 0A 92 -2,-0.3 -21,-0.2 -23,-0.2 -23,-0.1 -0.655 37.4-142.2 -86.3 141.0 39.2 -14.3 37.0 78 81 A G - 0 0 16 -23,-3.7 2,-0.2 -2,-0.3 7,-0.1 -0.122 15.7-122.0 -85.7-171.0 42.2 -16.1 35.7 79 82 A G - 0 0 31 2,-0.5 6,-0.1 3,-0.1 -1,-0.1 -0.484 35.5 -75.4-122.7-166.0 44.0 -19.1 37.3 80 83 A D S S+ 0 0 153 -2,-0.2 2,-0.2 4,-0.1 -2,-0.0 0.892 112.0 24.6 -62.1 -44.4 47.4 -20.3 38.5 81 84 A E S >> S- 0 0 135 1,-0.1 4,-2.0 -68,-0.1 3,-0.6 -0.729 90.6-101.4-117.2 169.5 49.0 -20.8 35.1 82 85 A R H 3> S+ 0 0 62 1,-0.2 4,-2.8 -2,-0.2 5,-0.2 0.929 120.8 56.1 -55.3 -48.8 48.3 -19.3 31.7 83 86 A A H 3> S+ 0 0 6 102,-0.4 4,-1.8 1,-0.2 -1,-0.2 0.829 107.4 50.4 -54.5 -33.3 46.4 -22.4 30.6 84 87 A D H <> S+ 0 0 57 -3,-0.6 4,-2.1 2,-0.2 -1,-0.2 0.900 110.2 48.0 -72.6 -42.0 44.1 -22.0 33.6 85 88 A S H X S+ 0 0 5 -4,-2.0 4,-1.8 1,-0.2 -2,-0.2 0.915 112.0 50.8 -64.7 -39.9 43.4 -18.4 32.8 86 89 A V H X S+ 0 0 0 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.892 108.7 51.7 -64.1 -39.6 42.7 -19.2 29.2 87 90 A L H X S+ 0 0 21 -4,-1.8 4,-1.6 -5,-0.2 -1,-0.2 0.904 108.1 50.8 -64.2 -41.2 40.3 -22.0 30.2 88 91 A A H < S+ 0 0 31 -4,-2.1 4,-0.4 1,-0.2 -1,-0.2 0.861 110.4 50.4 -65.6 -35.8 38.3 -19.6 32.5 89 92 A G H >< S+ 0 0 0 -4,-1.8 3,-1.2 1,-0.2 -1,-0.2 0.895 106.8 54.8 -67.5 -39.7 38.1 -17.2 29.6 90 93 A L H >< S+ 0 0 3 -4,-2.2 3,-1.6 1,-0.3 4,-0.3 0.839 98.6 62.4 -62.0 -34.0 36.8 -19.9 27.2 91 94 A K T 3< S+ 0 0 145 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.700 108.2 42.6 -67.9 -16.8 34.0 -20.8 29.6 92 95 A A T < S+ 0 0 26 -3,-1.2 -1,-0.3 -4,-0.4 -2,-0.2 0.201 84.3 104.1-111.0 13.8 32.6 -17.3 29.1 93 96 A A S < S- 0 0 3 -3,-1.6 3,-0.4 1,-0.2 2,-0.4 0.821 70.1-151.5 -64.3 -35.3 33.2 -17.3 25.4 94 97 A G - 0 0 40 -4,-0.3 -1,-0.2 1,-0.2 -88,-0.0 -0.792 48.6 -34.3 103.1-140.2 29.5 -17.8 24.5 95 98 A D S S+ 0 0 159 -2,-0.4 -1,-0.2 73,-0.0 73,-0.1 0.348 87.2 138.4-103.9 2.7 28.2 -19.5 21.4 96 99 A A - 0 0 17 -3,-0.4 -91,-0.1 1,-0.1 72,-0.1 -0.198 48.7-146.4 -47.8 138.1 31.0 -18.2 19.2 97 100 A Q S S+ 0 0 88 -93,-0.6 71,-2.4 -96,-0.4 2,-0.4 0.819 81.2 36.6 -78.8 -32.9 32.1 -21.0 16.8 98 101 A W E S-bD 5 167A 20 -94,-0.8 -92,-2.0 69,-0.3 2,-0.4 -0.941 70.5-156.3-124.2 144.2 35.7 -19.9 16.7 99 102 A V E -bD 6 166A 0 67,-3.1 67,-2.2 -2,-0.4 2,-0.5 -0.932 5.2-153.4-124.5 145.2 37.9 -18.4 19.5 100 103 A L E -bD 7 165A 0 -94,-2.3 -92,-3.1 -2,-0.4 2,-0.5 -0.966 10.9-164.4-113.9 125.3 41.0 -16.2 19.3 101 104 A V E +bD 8 164A 0 63,-2.6 63,-1.8 -2,-0.5 2,-0.4 -0.964 13.8 173.9-115.5 123.0 43.4 -16.4 22.2 102 105 A H - 0 0 0 -94,-2.3 -2,-0.0 -2,-0.5 -60,-0.0 -0.986 33.5-115.2-134.5 129.4 45.9 -13.6 22.4 103 106 A D > - 0 0 17 -2,-0.4 3,-1.5 -94,-0.2 -92,-0.1 -0.317 16.7-139.3 -57.9 134.2 48.5 -12.8 25.2 104 107 A A T 3 S+ 0 0 4 -94,-1.6 -66,-0.3 1,-0.3 -1,-0.2 0.857 102.0 64.2 -62.4 -28.5 47.8 -9.5 26.9 105 108 A A T 3 S+ 0 0 10 -95,-0.3 106,-2.9 1,-0.2 -1,-0.3 0.282 82.5 79.2 -79.5 7.5 51.6 -9.0 26.7 106 109 A R X + 0 0 20 -3,-1.5 3,-0.7 104,-0.2 -1,-0.2 -0.704 48.3 157.0-117.4 79.9 51.9 -8.9 22.9 107 110 A P T 3 + 0 0 5 0, 0.0 -1,-0.1 0, 0.0 103,-0.1 0.490 56.9 76.7 -82.1 -2.4 50.7 -5.3 22.0 108 111 A C T 3 + 0 0 3 101,-0.5 99,-0.1 99,-0.1 2,-0.1 0.289 59.7 142.4 -95.4 13.6 52.5 -5.1 18.7 109 112 A L < - 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E 0 132A 104 -27,-3.2 -27,-2.0 -2,-0.3 2,-0.4 -0.822 33.3-135.7 -86.6 120.3 58.5 -19.4 17.3 160 163 A A E + E 0 131A 46 -2,-0.6 -29,-0.2 -29,-0.2 2,-0.2 -0.681 32.6 172.3 -81.4 133.3 54.9 -19.8 18.3 161 164 A L E - 0 0 13 -31,-2.4 -31,-0.2 -2,-0.4 48,-0.1 -0.499 23.0 -71.0-120.7-167.7 53.3 -16.4 18.7 162 165 A T E S+ 0 0 4 46,-0.2 2,-0.2 -2,-0.2 -60,-0.2 -0.957 85.7 67.1-140.7 161.7 49.6 -15.3 19.3 163 166 A P E - 0 0 0 0, 0.0 -33,-1.7 0, 0.0 2,-0.4 0.370 60.4-168.4 -60.9 162.5 46.9 -15.0 18.5 164 167 A Q E -DE 101 129A 1 -63,-1.8 -63,-2.6 -35,-0.2 2,-0.5 -0.995 7.9-154.8-126.1 126.0 46.1 -18.6 18.2 165 168 A F E +DE 100 128A 0 -37,-2.5 -37,-2.0 -2,-0.4 -65,-0.2 -0.930 24.2 150.9-115.4 120.5 42.8 -19.3 16.5 166 169 A F E -D 99 0A 0 -67,-2.2 -67,-3.1 -2,-0.5 -39,-0.2 -0.946 53.7 -82.5-145.0 163.5 40.7 -22.5 17.0 167 170 A P E > -D 98 0A 22 0, 0.0 4,-2.3 0, 0.0 -69,-0.3 -0.494 49.5-127.7 -64.7 137.3 37.2 -23.9 17.0 168 171 A R H > S+ 0 0 48 -71,-2.4 4,-2.7 1,-0.2 5,-0.1 0.924 99.8 38.7 -55.4 -58.9 35.8 -22.9 20.5 169 172 A E H > S+ 0 0 122 -72,-0.3 4,-3.0 2,-0.2 5,-0.2 0.892 115.0 54.3 -65.6 -38.0 34.5 -26.2 21.9 170 173 A L H > S+ 0 0 46 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.960 112.5 43.6 -60.0 -49.9 37.4 -28.3 20.4 171 174 A L H X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 5,-0.3 0.942 113.8 52.0 -60.1 -47.0 39.9 -26.0 22.1 172 175 A H H X S+ 0 0 44 -4,-2.7 4,-2.2 -5,-0.2 -2,-0.2 0.926 114.1 42.2 -54.6 -48.6 37.9 -26.0 25.3 173 176 A D H X S+ 0 0 79 -4,-3.0 4,-2.5 2,-0.2 -1,-0.2 0.883 114.5 49.1 -69.2 -40.3 37.7 -29.8 25.4 174 177 A C H X S+ 0 0 4 -4,-2.8 4,-2.7 -5,-0.2 5,-0.2 0.908 113.4 47.4 -67.4 -39.9 41.3 -30.4 24.5 175 178 A L H X S+ 0 0 0 -4,-2.7 4,-2.7 -5,-0.3 5,-0.3 0.938 112.7 48.8 -66.8 -43.9 42.6 -27.9 27.1 176 179 A T H X S+ 0 0 37 -4,-2.2 4,-2.4 -5,-0.3 -2,-0.2 0.939 113.8 46.8 -59.9 -47.7 40.3 -29.4 29.8 177 180 A R H X S+ 0 0 118 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.941 113.5 47.3 -61.0 -48.2 41.5 -32.9 28.9 178 181 A A H <>S+ 0 0 0 -4,-2.7 5,-2.5 1,-0.2 -2,-0.2 0.943 114.1 46.7 -59.7 -49.7 45.2 -32.0 28.8 179 182 A L H ><5S+ 0 0 47 -4,-2.7 3,-1.4 1,-0.2 -1,-0.2 0.883 111.6 51.9 -60.3 -39.7 45.1 -30.1 32.1 180 183 A N H 3<5S+ 0 0 129 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.877 110.8 47.8 -64.4 -37.4 43.1 -33.0 33.7 181 184 A E T 3<5S- 0 0 110 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.217 117.4-117.0 -88.3 15.4 45.8 -35.4 32.6 182 185 A G T < 5 + 0 0 66 -3,-1.4 -3,-0.2 1,-0.1 2,-0.1 0.832 55.2 163.9 53.4 42.2 48.5 -33.1 33.9 183 186 A A < - 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0 0 71 -5,-2.5 -1,-0.3 -6,-0.2 -2,-0.0 -0.475 48.6-145.5 -94.2 168.0 45.8 -32.6 16.0 198 201 A H - 0 0 155 -2,-0.1 -72,-0.1 -71,-0.1 -71,-0.1 -0.781 19.8-149.0-135.4 88.5 48.3 -30.6 14.0 199 202 A P - 0 0 24 0, 0.0 -71,-0.3 0, 0.0 2,-0.1 -0.114 23.5-102.5 -57.8 152.6 47.5 -26.8 13.8 200 203 A Q E -f 128 0A 108 -73,-2.6 -71,-2.3 1,-0.0 2,-0.6 -0.416 26.1-131.9 -76.8 149.4 48.4 -24.7 10.8 201 204 A L E -f 129 0A 85 -73,-0.2 2,-0.6 -2,-0.1 -71,-0.2 -0.923 19.6-170.5-106.2 118.6 51.4 -22.3 11.0 202 205 A V E -f 130 0A 17 -73,-3.1 -71,-2.1 -2,-0.6 2,-0.1 -0.940 23.8-128.2-112.9 112.7 50.7 -18.8 9.7 203 206 A E E +f 131 0A 103 -2,-0.6 2,-0.2 -73,-0.2 -71,-0.2 -0.348 35.7 173.8 -62.7 128.4 53.9 -16.7 9.4 204 207 A G - 0 0 7 -73,-2.2 2,-0.1 -2,-0.1 -1,-0.0 -0.763 40.3 -70.0-127.2 176.0 53.5 -13.3 11.1 205 208 A R > - 0 0 106 -2,-0.2 3,-1.1 1,-0.1 -95,-0.1 -0.429 32.5-139.3 -69.2 142.4 55.9 -10.5 11.8 206 209 A A T 3 S+ 0 0 62 1,-0.3 -1,-0.1 -2,-0.1 -74,-0.1 0.543 97.2 76.1 -78.0 -8.9 58.6 -11.2 14.4 207 210 A D T 3 + 0 0 15 1,-0.2 2,-2.1 -99,-0.1 -1,-0.3 0.487 66.3 98.0 -81.0 1.2 58.1 -7.7 15.9 208 211 A N < + 0 0 2 -3,-1.1 -46,-0.2 -101,-0.1 -1,-0.2 -0.494 66.5 169.9 -84.1 67.4 55.0 -9.2 17.5 209 212 A I - 0 0 29 -2,-2.1 2,-0.5 -48,-0.1 -101,-0.5 -0.324 37.1-119.9 -85.6 166.0 56.9 -9.6 20.7 210 213 A K - 0 0 86 -104,-0.1 2,-0.9 -103,-0.1 3,-0.3 -0.906 19.9-139.4-106.1 126.0 55.9 -10.6 24.2 211 214 A V + 0 0 0 -106,-2.9 -187,-0.1 -2,-0.5 -193,-0.0 -0.769 52.4 128.6 -88.2 107.3 56.7 -8.1 27.0 212 215 A T + 0 0 5 -2,-0.9 -195,-0.3 1,-0.1 -1,-0.2 0.628 57.9 57.1-125.8 -36.7 57.9 -10.0 30.0 213 216 A R S >> S- 0 0 109 -3,-0.3 4,-0.7 1,-0.1 3,-0.7 -0.593 88.0-108.6 -99.3 160.9 61.2 -8.4 31.1 214 217 A P H >> S+ 0 0 70 0, 0.0 3,-1.0 0, 0.0 4,-0.6 0.900 119.1 50.3 -53.7 -46.0 61.9 -4.8 32.0 215 218 A E H 3> S+ 0 0 155 1,-0.2 4,-1.8 2,-0.2 3,-0.2 0.767 94.6 73.8 -66.5 -25.2 63.9 -4.1 28.8 216 219 A D H <> S+ 0 0 33 -3,-0.7 4,-2.9 1,-0.2 -1,-0.2 0.851 88.2 62.8 -57.5 -33.8 61.0 -5.5 26.7 217 220 A L H < S+ 0 0 147 -4,-2.1 3,-1.7 1,-0.2 -2,-0.2 0.937 109.3 47.3 -54.4 -52.1 60.3 1.2 19.6 223 226 A Y H 3< S+ 0 0 85 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.825 108.2 55.0 -61.9 -33.3 58.2 -1.2 17.5 224 227 A L T 3< 0 0 70 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.350 360.0 360.0 -82.3 8.4 55.0 0.8 18.1 225 228 A T < 0 0 144 -3,-1.7 -3,-0.0 -5,-0.1 -4,-0.0 -0.688 360.0 360.0-108.4 360.0 56.8 3.9 16.8