==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 23-FEB-01 1I52 . COMPND 2 MOLECULE: 4-DIPHOSPHOCYTIDYL-2-C-METHYLERYTHRITOL SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR S.B.RICHARD,M.E.BOWMAN,W.KWIATKOWSKI,I.KANG,C.CHOW,M.LILLO,D . 225 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11933.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 149 66.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 25 11.1 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 . 17 7.6 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 . 48 21.3 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 0 2 1 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 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 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 5 A H 0 0 101 0, 0.0 95,-0.1 0, 0.0 96,-0.1 0.000 360.0 360.0 360.0 -33.1 29.1 -18.0 11.4 2 6 A L + 0 0 84 94,-0.1 2,-0.3 2,-0.1 118,-0.1 0.445 360.0 117.2 -82.7 -0.9 31.8 -15.3 11.1 3 7 A D - 0 0 89 44,-0.1 94,-0.7 45,-0.1 93,-0.5 -0.531 45.5-170.2 -71.8 130.0 31.2 -14.0 14.7 4 8 A V E -ab 47 97A 2 42,-2.5 44,-2.2 -2,-0.3 45,-1.0 -0.949 13.7-155.3-122.0 141.6 34.3 -14.4 16.8 5 9 A C E -ab 49 98A 2 92,-1.8 94,-2.0 -2,-0.4 2,-0.3 -0.954 14.7-148.7-112.2 135.8 34.8 -13.9 20.6 6 10 A A E -ab 50 99A 0 43,-2.9 45,-3.0 -2,-0.4 2,-0.4 -0.800 4.8-158.6-102.9 147.7 38.3 -13.1 21.9 7 11 A V E -ab 51 100A 0 92,-2.7 94,-2.3 -2,-0.3 45,-0.2 -0.998 4.9-168.5-125.1 127.5 39.6 -14.2 25.3 8 12 A V E -a 52 0A 0 43,-2.8 45,-2.1 -2,-0.4 2,-0.5 -0.933 13.4-147.9-118.6 102.9 42.6 -12.2 26.8 9 13 A P E +a 53 0A 13 0, 0.0 94,-1.4 0, 0.0 45,-0.1 -0.642 35.3 153.0 -71.8 121.1 44.2 -13.9 29.9 10 14 A A E +a 54 0A 3 43,-2.4 45,-0.5 -2,-0.5 67,-0.1 -0.133 34.0 106.0-142.2 38.8 45.4 -10.9 31.9 11 15 A A + 0 0 12 43,-0.3 43,-0.1 65,-0.1 -1,-0.0 0.341 53.2 106.5-104.6 4.6 45.3 -12.3 35.5 12 16 A G - 0 0 45 1,-0.1 43,-0.2 43,-0.1 12,-0.2 -0.260 64.1-139.6 -80.4 171.8 49.1 -12.6 35.9 13 17 A F - 0 0 143 9,-0.1 10,-0.2 10,-0.1 4,-0.1 0.429 28.4-131.8-110.1 -6.5 51.4 -10.4 38.0 14 18 A G > + 0 0 14 8,-0.2 3,-1.7 1,-0.1 5,-0.3 0.948 35.0 174.2 51.2 55.4 54.4 -10.1 35.7 15 19 A R G > S+ 0 0 218 1,-0.3 3,-1.2 2,-0.2 -1,-0.1 0.819 71.0 65.5 -62.8 -31.5 56.9 -10.9 38.4 16 20 A R G 3 S+ 0 0 139 1,-0.2 -1,-0.3 2,-0.1 195,-0.1 0.461 90.4 68.2 -71.9 1.5 59.7 -10.9 35.9 17 21 A M G < S- 0 0 6 -3,-1.7 -1,-0.2 2,-0.2 -2,-0.2 0.596 93.4-135.6 -95.8 -13.0 59.2 -7.2 35.3 18 22 A Q < + 0 0 94 -3,-1.2 2,-0.3 -4,-0.3 -3,-0.1 0.235 66.9 119.0 78.8 -18.2 60.4 -5.9 38.7 19 23 A T - 0 0 55 -5,-0.3 -1,-0.3 2,-0.2 -2,-0.2 -0.589 63.7-146.1 -85.0 142.9 57.4 -3.5 38.8 20 24 A E S S+ 0 0 192 -2,-0.3 -1,-0.1 -3,-0.1 -2,-0.1 0.742 87.8 83.5 -74.3 -21.7 54.9 -3.8 41.6 21 25 A C S S- 0 0 34 1,-0.1 -2,-0.2 -4,-0.1 5,-0.1 -0.673 100.0-107.3 -81.2 129.4 52.5 -2.7 38.9 22 26 A P > - 0 0 19 0, 0.0 3,-2.8 0, 0.0 4,-0.2 -0.372 28.1-123.3 -57.8 134.7 51.3 -5.7 36.7 23 27 A K G > S+ 0 0 27 1,-0.3 3,-2.1 2,-0.2 10,-0.4 0.798 108.8 65.2 -51.4 -35.8 53.1 -5.4 33.4 24 28 A Q G 3 S+ 0 0 9 1,-0.3 10,-2.5 -12,-0.2 11,-0.3 0.690 102.8 51.3 -63.7 -13.3 49.8 -5.4 31.4 25 29 A Y G < S+ 0 0 16 -3,-2.8 -1,-0.3 8,-0.2 -2,-0.2 0.361 85.2 105.2-104.6 5.3 49.1 -2.1 33.2 26 30 A L S < S- 0 0 28 -3,-2.1 7,-2.4 -4,-0.2 2,-0.3 -0.501 70.0-122.1 -77.4 155.5 52.4 -0.5 32.2 27 31 A S E -G 32 0B 65 5,-0.2 2,-0.4 -2,-0.2 5,-0.2 -0.734 25.5-169.2-111.9 155.6 52.0 2.1 29.5 28 32 A I E > S-G 31 0B 11 3,-2.6 3,-1.3 -2,-0.3 2,-1.1 -0.971 87.2 -22.4-133.3 112.6 53.3 2.8 26.1 29 33 A G T 3 S- 0 0 62 -2,-0.4 -2,-0.1 1,-0.2 3,-0.0 -0.769 125.7 -47.5 86.2-105.7 52.4 6.2 25.0 30 34 A N T 3 S+ 0 0 158 -2,-1.1 2,-0.4 2,-0.1 -1,-0.2 -0.009 120.9 90.1-150.0 22.2 49.4 6.8 27.3 31 35 A Q E < S-G 28 0B 65 -3,-1.3 -3,-2.6 3,-0.0 2,-0.1 -0.955 78.4-117.1-121.1 143.9 47.6 3.5 26.7 32 36 A T E > -G 27 0B 10 -2,-0.4 4,-2.5 -5,-0.2 -5,-0.2 -0.386 25.8-111.4 -77.4 159.9 48.3 0.4 28.8 33 37 A I H > S+ 0 0 1 -7,-2.4 4,-2.5 -10,-0.4 5,-0.2 0.912 121.8 55.2 -55.2 -43.5 49.9 -2.7 27.3 34 38 A L H > S+ 0 0 0 -10,-2.5 4,-2.8 -8,-0.2 5,-0.2 0.925 107.6 49.2 -58.0 -42.8 46.5 -4.4 27.9 35 39 A E H > S+ 0 0 16 -11,-0.3 4,-3.0 2,-0.2 5,-0.3 0.936 108.8 51.0 -65.2 -44.1 44.7 -1.6 25.9 36 40 A H H X S+ 0 0 38 -4,-2.5 4,-1.6 1,-0.2 -1,-0.2 0.946 114.3 46.1 -56.2 -46.3 47.1 -1.9 22.9 37 41 A S H X S+ 0 0 0 -4,-2.5 4,-1.4 66,-0.3 -2,-0.2 0.940 114.7 45.0 -60.7 -50.0 46.5 -5.6 22.9 38 42 A V H X S+ 0 0 0 -4,-2.8 4,-2.3 1,-0.2 5,-0.2 0.907 111.2 53.0 -64.0 -42.8 42.7 -5.4 23.2 39 43 A H H X S+ 0 0 73 -4,-3.0 4,-1.0 -5,-0.2 -1,-0.2 0.842 102.6 58.1 -66.8 -27.6 42.3 -2.7 20.7 40 44 A A H < S+ 0 0 12 -4,-1.6 4,-0.5 -5,-0.3 3,-0.3 0.910 109.3 45.7 -68.1 -36.4 44.3 -4.7 18.1 41 45 A L H >< S+ 0 0 0 -4,-1.4 3,-1.3 1,-0.2 6,-0.3 0.922 110.2 53.0 -67.8 -44.8 41.7 -7.5 18.4 42 46 A L H 3< S+ 0 0 28 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.633 93.9 74.0 -67.2 -14.1 38.7 -5.1 18.3 43 47 A A T 3< S+ 0 0 58 -4,-1.0 -1,-0.3 -3,-0.3 -2,-0.2 0.803 80.2 79.8 -70.5 -27.4 40.0 -3.6 15.1 44 48 A H S X S- 0 0 31 -3,-1.3 3,-1.9 -4,-0.5 66,-0.0 -0.686 82.6-135.9 -82.6 127.4 39.0 -6.7 13.1 45 49 A P T 3 S+ 0 0 100 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.746 98.7 62.6 -52.1 -29.0 35.3 -6.6 12.2 46 50 A R T 3 S+ 0 0 30 -43,-0.1 -42,-2.5 1,-0.1 2,-1.2 0.710 79.2 92.5 -73.7 -18.9 34.7 -10.2 13.1 47 51 A V E < +a 4 0A 4 -3,-1.9 -42,-0.2 -6,-0.3 -1,-0.1 -0.623 45.8 164.5 -79.8 102.9 35.7 -9.7 16.7 48 52 A K E + 0 0 93 -44,-2.2 2,-0.3 -2,-1.2 -1,-0.2 0.627 61.5 19.2 -92.4 -17.1 32.3 -9.0 18.4 49 53 A R E -a 5 0A 77 -45,-1.0 -43,-2.9 -3,-0.1 2,-0.4 -0.997 55.7-158.6-152.8 151.3 33.3 -9.6 21.9 50 54 A V E -ac 6 72A 0 21,-2.6 23,-2.4 -2,-0.3 2,-0.6 -0.988 7.1-161.8-136.4 127.2 36.4 -9.7 24.1 51 55 A V E -ac 7 73A 0 -45,-3.0 -43,-2.8 -2,-0.4 2,-0.5 -0.952 9.9-163.3-107.6 120.8 36.4 -11.4 27.5 52 56 A I E -ac 8 74A 0 21,-2.5 23,-2.2 -2,-0.6 2,-0.6 -0.918 6.3-151.1-108.4 123.9 39.3 -10.3 29.7 53 57 A A E +ac 9 75A 0 -45,-2.1 -43,-2.4 -2,-0.5 2,-0.3 -0.857 21.5 179.5 -96.7 126.6 40.3 -12.5 32.7 54 58 A I E -ac 10 76A 15 21,-2.7 23,-3.6 -2,-0.6 -43,-0.3 -0.785 34.0 -93.0-123.4 164.1 41.8 -10.6 35.6 55 59 A S > - 0 0 23 -45,-0.5 3,-1.5 -2,-0.3 23,-0.1 -0.405 50.0 -99.7 -71.8 149.6 43.1 -11.5 39.0 56 60 A P T 3 S+ 0 0 80 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.455 114.2 25.7 -65.7 148.8 40.5 -11.2 41.8 57 61 A G T 3 S+ 0 0 76 1,-0.3 2,-0.3 -3,-0.1 -2,-0.0 0.187 80.0 147.8 85.7 -25.8 41.2 -8.0 43.6 58 62 A D < + 0 0 33 -3,-1.5 4,-0.3 1,-0.2 -1,-0.3 -0.308 21.3 179.4 -46.7 105.9 42.8 -6.4 40.5 59 63 A S + 0 0 85 -2,-0.3 4,-0.3 1,-0.1 -1,-0.2 0.417 64.1 70.4 -95.3 -1.0 41.7 -2.8 41.2 60 64 A R S > S+ 0 0 95 2,-0.1 3,-2.0 1,-0.1 4,-0.3 0.909 84.0 63.2 -83.6 -44.1 43.3 -1.3 38.1 61 65 A F G > S+ 0 0 9 1,-0.3 3,-2.5 2,-0.2 6,-0.4 0.888 95.5 61.1 -47.5 -47.9 41.1 -2.7 35.3 62 66 A A G 3 S+ 0 0 60 -4,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.742 98.7 58.8 -55.1 -23.8 38.1 -0.9 36.6 63 67 A Q G < S+ 0 0 160 -3,-2.0 -1,-0.3 -4,-0.3 -2,-0.2 0.419 91.0 87.4 -88.4 2.9 39.8 2.4 36.0 64 68 A L S X S- 0 0 26 -3,-2.5 3,-1.5 -4,-0.3 4,-0.2 -0.640 86.7-116.4 -99.2 159.3 40.4 1.9 32.3 65 69 A P G > S+ 0 0 93 0, 0.0 3,-1.8 0, 0.0 4,-0.3 0.800 110.6 72.0 -62.7 -28.1 38.0 2.8 29.4 66 70 A L G > S+ 0 0 2 1,-0.3 3,-1.0 2,-0.2 6,-0.1 0.763 81.6 73.1 -58.3 -25.4 37.7 -0.9 28.6 67 71 A A G < S+ 0 0 33 -3,-1.5 -1,-0.3 -6,-0.4 7,-0.1 0.739 106.0 33.7 -63.1 -24.7 35.7 -1.4 31.8 68 72 A N G < S+ 0 0 149 -3,-1.8 -1,-0.2 -4,-0.2 -2,-0.2 0.243 86.0 126.4-116.6 13.1 32.7 0.3 30.2 69 73 A H X - 0 0 51 -3,-1.0 3,-1.7 -4,-0.3 -3,-0.0 -0.540 60.0-135.9 -74.6 131.7 33.1 -0.9 26.6 70 74 A P T 3 S+ 0 0 127 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.726 103.2 48.1 -62.8 -19.3 29.9 -2.6 25.2 71 75 A Q T 3 S+ 0 0 79 -22,-0.1 -21,-2.6 -24,-0.0 2,-0.4 0.424 97.8 85.7-101.4 3.9 32.0 -5.4 23.6 72 76 A I E < -c 50 0A 17 -3,-1.7 2,-0.4 -23,-0.2 -21,-0.2 -0.910 48.8-179.4-115.8 132.7 34.1 -6.2 26.6 73 77 A T E -c 51 0A 45 -23,-2.4 -21,-2.5 -2,-0.4 2,-0.4 -0.959 14.0-150.7-124.4 137.1 33.3 -8.5 29.5 74 78 A V E +c 52 0A 64 -2,-0.4 2,-0.3 -23,-0.2 -21,-0.2 -0.867 17.0 173.0-112.4 146.6 35.6 -9.1 32.5 75 79 A V E -c 53 0A 31 -23,-2.2 -21,-2.7 -2,-0.4 2,-0.4 -0.930 39.3 -93.7-141.1 164.0 35.8 -12.3 34.6 76 80 A D E -c 54 0A 99 -2,-0.3 -21,-0.2 -23,-0.2 -23,-0.1 -0.681 39.9-148.7 -83.4 134.7 38.1 -13.5 37.3 77 81 A G - 0 0 14 -23,-3.6 2,-0.2 -2,-0.4 7,-0.1 -0.074 14.4-122.9 -85.0-167.2 41.0 -15.5 36.1 78 82 A G - 0 0 33 2,-0.4 -1,-0.1 3,-0.1 6,-0.1 -0.490 34.1 -72.0-128.1-165.2 42.8 -18.4 38.0 79 83 A D S S+ 0 0 165 -2,-0.2 2,-0.3 4,-0.1 -2,-0.0 0.880 112.3 26.7 -60.8 -44.2 46.1 -19.7 39.4 80 84 A E S >> S- 0 0 134 1,-0.1 4,-1.8 -68,-0.0 3,-0.6 -0.789 89.5-104.0-118.6 164.3 47.6 -20.5 36.0 81 85 A R H 3> S+ 0 0 69 -2,-0.3 4,-2.5 1,-0.3 5,-0.2 0.890 118.9 55.5 -54.3 -44.2 47.1 -19.2 32.5 82 86 A A H 3> S+ 0 0 8 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.862 105.7 52.4 -59.4 -35.5 45.1 -22.2 31.4 83 87 A D H <> S+ 0 0 54 -3,-0.6 4,-2.0 1,-0.2 -1,-0.2 0.911 110.0 48.7 -66.8 -40.2 42.7 -21.6 34.3 84 88 A S H X S+ 0 0 5 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.887 109.4 51.5 -68.3 -37.8 42.2 -18.0 33.2 85 89 A V H X S+ 0 0 0 -4,-2.5 4,-2.9 1,-0.2 -1,-0.2 0.936 109.3 51.0 -65.1 -42.1 41.6 -19.0 29.6 86 90 A L H X S+ 0 0 21 -4,-2.3 4,-1.7 1,-0.2 -2,-0.2 0.893 108.2 51.7 -59.6 -41.8 38.9 -21.5 30.7 87 91 A A H X S+ 0 0 27 -4,-2.0 4,-0.7 1,-0.2 -1,-0.2 0.894 111.8 47.7 -62.6 -40.7 37.2 -18.9 32.8 88 92 A G H >< S+ 0 0 0 -4,-2.0 3,-1.3 1,-0.2 4,-0.3 0.925 107.6 54.7 -66.4 -42.4 37.2 -16.6 29.7 89 93 A L H >< S+ 0 0 7 -4,-2.9 3,-1.1 1,-0.3 -1,-0.2 0.821 100.3 62.4 -60.0 -31.3 35.9 -19.4 27.5 90 94 A K H 3< S+ 0 0 141 -4,-1.7 3,-0.3 1,-0.2 -1,-0.3 0.775 108.0 41.8 -64.3 -27.0 32.9 -19.8 29.9 91 95 A A T << S+ 0 0 23 -3,-1.3 -1,-0.2 -4,-0.7 -2,-0.2 0.305 83.5 104.5-104.6 11.9 31.8 -16.3 29.2 92 96 A A S X S- 0 0 2 -3,-1.1 3,-1.2 -4,-0.3 -1,-0.2 0.378 71.5-147.4 -73.0 1.9 32.4 -16.4 25.4 93 97 A G T 3 - 0 0 43 -3,-0.3 -1,-0.2 1,-0.2 -88,-0.0 -0.335 54.5 -35.5 67.5-145.2 28.7 -16.8 24.7 94 98 A D T 3 S+ 0 0 140 -3,-0.1 -1,-0.2 -2,-0.0 73,-0.1 0.241 86.5 146.3-100.1 13.6 27.6 -18.8 21.6 95 99 A A < - 0 0 8 -3,-1.2 72,-0.1 1,-0.2 -91,-0.1 -0.193 41.6-151.6 -49.9 132.4 30.6 -17.8 19.5 96 100 A Q S S+ 0 0 113 -93,-0.5 71,-2.1 1,-0.1 2,-0.4 0.822 80.4 36.9 -78.5 -29.2 31.6 -20.7 17.3 97 101 A W E S-bD 4 166A 18 -94,-0.7 -92,-1.8 69,-0.3 2,-0.4 -0.957 70.4-158.9-125.2 142.9 35.2 -19.6 17.1 98 102 A V E -bD 5 165A 0 67,-3.0 67,-2.4 -2,-0.4 2,-0.5 -0.958 7.2-153.2-126.3 143.2 37.5 -18.1 19.8 99 103 A L E -bD 6 164A 0 -94,-2.0 -92,-2.7 -2,-0.4 2,-0.5 -0.960 12.2-161.2-111.9 117.6 40.7 -16.1 19.5 100 104 A V E +bD 7 163A 0 63,-3.3 63,-1.9 -2,-0.5 2,-0.4 -0.909 15.8 175.4-106.0 126.2 43.0 -16.3 22.6 101 105 A H - 0 0 0 -94,-2.3 2,-0.1 -2,-0.5 -2,-0.0 -0.990 31.5-117.2-135.5 131.7 45.5 -13.5 22.9 102 106 A D > - 0 0 16 -2,-0.4 3,-1.6 -94,-0.2 -92,-0.1 -0.375 15.5-139.6 -64.4 133.3 48.1 -12.7 25.6 103 107 A A T 3 S+ 0 0 5 -94,-1.4 -66,-0.3 1,-0.3 -1,-0.2 0.845 102.0 63.4 -60.6 -27.3 47.5 -9.3 27.2 104 108 A A T 3 S+ 0 0 9 1,-0.2 106,-2.7 -67,-0.1 -1,-0.3 0.240 81.8 80.9 -84.3 11.8 51.3 -8.9 27.1 105 109 A R X + 0 0 22 -3,-1.6 3,-0.7 104,-0.2 -1,-0.2 -0.715 47.8 157.8-117.6 80.1 51.6 -8.9 23.3 106 110 A P T 3 + 0 0 4 0, 0.0 -1,-0.1 0, 0.0 103,-0.1 0.534 57.7 74.7 -81.0 -4.7 50.7 -5.3 22.3 107 111 A C T 3 + 0 0 4 101,-0.5 99,-0.1 -3,-0.1 102,-0.1 0.279 60.5 143.1 -96.0 11.6 52.4 -5.3 18.9 108 112 A L < - 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E 0 131A 97 -27,-3.5 -27,-2.0 -2,-0.3 2,-0.3 -0.806 36.2-132.0 -84.2 120.8 58.2 -19.8 17.7 159 163 A A E + E 0 130A 48 -2,-0.6 -29,-0.2 -29,-0.2 2,-0.2 -0.600 34.7 172.5 -75.3 131.2 54.5 -20.1 18.9 160 164 A L E - 0 0 14 -31,-2.6 -31,-0.2 -2,-0.3 48,-0.1 -0.538 23.2 -74.0-121.7-170.8 52.9 -16.6 19.2 161 165 A T E S+ 0 0 5 46,-0.2 2,-0.2 -2,-0.2 -60,-0.2 -0.955 85.1 68.3-132.9 163.0 49.4 -15.4 19.9 162 166 A P E - 0 0 0 0, 0.0 -33,-1.7 0, 0.0 2,-0.4 0.415 60.5-169.2 -62.6 163.4 46.6 -15.0 19.0 163 167 A Q E -DE 100 128A 1 -63,-1.9 -63,-3.3 -35,-0.2 2,-0.5 -0.985 7.3-155.1-128.0 130.2 45.6 -18.7 18.7 164 168 A F E +DE 99 127A 0 -37,-3.0 -37,-2.5 -2,-0.4 -65,-0.2 -0.946 23.4 150.7-120.5 119.8 42.3 -19.4 17.0 165 169 A F E -D 98 0A 0 -67,-2.4 -67,-3.0 -2,-0.5 -39,-0.2 -0.948 54.4 -82.3-145.5 160.8 40.1 -22.4 17.5 166 170 A P E > -D 97 0A 23 0, 0.0 4,-2.3 0, 0.0 -69,-0.3 -0.479 50.7-127.3 -61.5 135.7 36.6 -23.6 17.4 167 171 A R H > S+ 0 0 46 -71,-2.1 4,-2.6 1,-0.2 5,-0.2 0.923 101.1 40.2 -54.2 -56.8 35.3 -22.6 20.9 168 172 A E H > S+ 0 0 120 -72,-0.3 4,-2.9 1,-0.2 -1,-0.2 0.890 113.3 54.6 -69.5 -32.4 33.9 -25.8 22.3 169 173 A L H > S+ 0 0 41 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.947 111.5 46.1 -64.3 -43.2 36.7 -27.9 20.9 170 174 A L H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 5,-0.3 0.937 112.0 50.4 -63.2 -47.2 39.2 -25.6 22.7 171 175 A H H X S+ 0 0 51 -4,-2.6 4,-2.2 -5,-0.2 -1,-0.2 0.939 113.3 46.3 -55.6 -48.3 37.2 -25.7 25.9 172 176 A D H X S+ 0 0 94 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.912 113.0 48.1 -63.3 -42.2 37.0 -29.5 25.8 173 177 A C H X S+ 0 0 4 -4,-2.5 4,-2.7 2,-0.2 -1,-0.2 0.888 113.5 46.8 -67.9 -39.7 40.7 -30.0 25.0 174 178 A L H X S+ 0 0 0 -4,-2.6 4,-2.2 2,-0.2 5,-0.2 0.874 112.6 51.6 -68.1 -37.5 41.8 -27.6 27.8 175 179 A T H X S+ 0 0 58 -4,-2.2 4,-2.0 -5,-0.3 -2,-0.2 0.934 113.9 42.0 -66.0 -43.9 39.5 -29.3 30.2 176 180 A R H X S+ 0 0 144 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.929 113.2 52.1 -68.0 -47.2 40.8 -32.8 29.4 177 181 A A H <>S+ 0 0 0 -4,-2.7 5,-3.0 1,-0.2 -2,-0.2 0.923 113.5 44.6 -55.7 -47.8 44.5 -31.7 29.4 178 182 A L H ><5S+ 0 0 58 -4,-2.2 3,-1.4 1,-0.2 -1,-0.2 0.898 112.6 50.7 -64.4 -43.4 44.1 -30.1 32.8 179 183 A N H 3<5S+ 0 0 140 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.853 111.3 48.8 -64.8 -34.9 42.1 -33.0 34.3 180 184 A E T 3<5S- 0 0 89 -4,-2.5 -1,-0.3 -5,-0.1 -2,-0.2 0.289 114.8-117.2 -88.3 11.4 44.7 -35.5 33.1 181 185 A G T < 5 + 0 0 66 -3,-1.4 -3,-0.2 1,-0.2 -2,-0.1 0.835 53.8 168.4 58.4 35.7 47.5 -33.4 34.5 182 186 A A < - 0 0 24 -5,-3.0 2,-0.9 -6,-0.2 -1,-0.2 -0.403 44.7-103.3 -78.0 158.4 49.1 -32.7 31.2 183 187 A T - 0 0 133 -2,-0.1 2,-0.5 6,-0.1 -1,-0.1 -0.736 43.7-166.9 -83.9 107.1 51.9 -30.1 30.7 184 188 A I + 0 0 36 -2,-0.9 -102,-0.1 1,-0.2 3,-0.1 -0.841 24.9 156.9-102.5 129.7 50.1 -27.1 29.1 185 189 A T - 0 0 102 1,-0.5 -1,-0.2 -2,-0.5 2,-0.1 0.661 68.6 -2.0-109.2 -79.5 52.0 -24.2 27.6 186 190 A D S > S- 0 0 25 1,-0.1 4,-0.8 -105,-0.0 -1,-0.5 -0.432 81.1 -94.1-106.3-177.2 49.8 -22.5 25.0 187 191 A E H >> S+ 0 0 0 1,-0.2 4,-1.4 2,-0.2 3,-1.0 0.887 123.4 58.7 -64.3 -36.4 46.3 -23.3 23.8 188 192 A A H 3> S+ 0 0 1 1,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.886 96.5 61.7 -61.1 -35.7 47.7 -25.3 20.9 189 193 A S H 3> S+ 0 0 13 1,-0.2 4,-2.1 -3,-0.2 -1,-0.3 0.803 100.8 54.2 -62.5 -27.0 49.4 -27.6 23.3 190 194 A A H S+ 0 0 0 -4,-1.4 5,-2.6 1,-0.2 -2,-0.2 0.893 112.0 54.1 -63.6 -38.6 44.7 -29.5 21.2 192 196 A E H ><5S+ 0 0 106 -4,-2.6 3,-1.9 1,-0.2 -2,-0.2 0.923 102.6 55.3 -61.8 -43.3 48.0 -31.3 20.7 193 197 A Y H 3<5S+ 0 0 99 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.839 106.8 52.1 -58.7 -33.9 47.5 -33.4 23.8 194 198 A C T 3<5S- 0 0 29 -4,-1.3 -1,-0.3 -3,-0.2 -2,-0.2 0.262 128.1 -93.5 -88.0 10.9 44.1 -34.5 22.5 195 199 A G T < 5S+ 0 0 51 -3,-1.9 -3,-0.2 1,-0.3 2,-0.2 0.521 82.5 130.5 93.3 4.8 45.5 -35.7 19.2 196 200 A F < - 0 0 71 -5,-2.6 -1,-0.3 -6,-0.2 -2,-0.0 -0.525 46.3-149.9 -92.5 162.7 45.0 -32.6 17.1 197 201 A H - 0 0 156 -2,-0.2 -71,-0.1 -71,-0.0 -72,-0.1 -0.753 18.3-155.8-132.6 84.9 47.4 -30.8 14.8 198 202 A P - 0 0 25 0, 0.0 -71,-0.3 0, 0.0 2,-0.2 -0.124 23.9-102.0 -59.7 153.2 46.7 -27.0 14.6 199 203 A Q E -f 127 0A 107 -73,-2.8 -71,-2.7 1,-0.0 2,-0.6 -0.468 21.9-134.9 -79.8 150.1 47.8 -24.9 11.7 200 204 A L E -f 128 0A 81 -73,-0.2 2,-0.6 -2,-0.2 -71,-0.2 -0.919 18.4-169.6-104.3 119.5 50.8 -22.6 11.7 201 205 A V E -f 129 0A 16 -73,-3.1 -71,-2.0 -2,-0.6 2,-0.1 -0.956 27.9-121.3-111.1 116.1 50.1 -19.2 10.2 202 206 A E E +f 130 0A 85 -2,-0.6 2,-0.3 -73,-0.2 -71,-0.2 -0.366 39.6 177.1 -63.7 130.5 53.3 -17.3 9.7 203 207 A G - 0 0 7 -73,-2.6 2,-0.1 -2,-0.1 -1,-0.0 -0.784 35.8 -72.9-128.7 170.2 53.3 -14.0 11.5 204 208 A R > - 0 0 97 -2,-0.3 3,-1.3 1,-0.1 -95,-0.1 -0.381 31.8-138.5 -64.9 139.0 55.6 -11.1 12.1 205 209 A A T 3 S+ 0 0 78 1,-0.3 -1,-0.1 -2,-0.1 -74,-0.1 0.635 97.3 71.6 -74.0 -12.3 58.5 -11.7 14.5 206 210 A D T 3 + 0 0 23 1,-0.1 2,-2.1 -99,-0.1 -1,-0.3 0.365 64.6 104.3 -84.9 7.1 58.0 -8.3 16.2 207 211 A N < + 0 0 2 -3,-1.3 -46,-0.2 -101,-0.1 2,-0.1 -0.578 63.1 172.3 -83.0 73.6 54.8 -9.5 17.8 208 212 A I - 0 0 28 -2,-2.1 2,-0.5 7,-0.1 -101,-0.5 -0.476 36.3-126.3 -91.4 161.0 56.7 -9.8 21.1 209 213 A K - 0 0 79 -104,-0.2 2,-0.7 -2,-0.1 3,-0.3 -0.914 23.1-130.9-105.5 124.2 55.6 -10.6 24.7 210 214 A V + 0 0 0 -106,-2.7 -193,-0.1 -2,-0.5 -187,-0.0 -0.678 53.6 138.5 -75.5 115.8 56.7 -8.0 27.2 211 215 A T + 0 0 4 -2,-0.7 -1,-0.2 1,-0.3 -188,-0.1 0.618 56.2 40.9-129.6 -37.7 58.2 -10.2 29.9 212 216 A R S >> S- 0 0 113 -3,-0.3 3,-1.8 -195,-0.1 4,-0.6 -0.798 89.8 -99.8-116.2 161.5 61.4 -8.5 31.2 213 217 A P H >> S+ 0 0 67 0, 0.0 3,-1.3 0, 0.0 4,-0.5 0.855 120.1 54.2 -46.6 -46.1 62.2 -4.8 31.9 214 218 A E H 3> S+ 0 0 128 1,-0.3 4,-1.5 2,-0.2 3,-0.3 0.742 94.0 72.4 -63.6 -24.3 64.0 -4.2 28.6 215 219 A D H <> S+ 0 0 26 -3,-1.8 4,-2.8 1,-0.2 -1,-0.3 0.781 85.7 65.5 -63.3 -27.8 61.0 -5.5 26.7 216 220 A L H