==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER NUCLEOTIDYLTRANSFERASE 06-JUL-01 1H7F . COMPND 2 MOLECULE: 3-DEOXY-MANNO-OCTULOSONATE CYTIDYLYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR S.JELAKOVIC,G.E.SCHULZ . 486 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20813.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 334 68.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 42 8.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 56 11.5 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 . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 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 . 27 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 63 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 122 25.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.2 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 2 2 4 0 0 4 0 2 0 3 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 2 4 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 . 4 2 0 4 0 0 0 2 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 0 0 0 2 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 S 0 0 92 0, 0.0 2,-0.5 0, 0.0 114,-0.0 0.000 360.0 360.0 360.0 111.0 39.4 100.8 68.2 2 2 A K - 0 0 76 41,-0.1 88,-3.1 42,-0.0 89,-2.1 -0.782 360.0-172.4 -94.3 130.3 35.9 101.9 69.3 3 3 A A E -a 91 0A 1 -2,-0.5 41,-2.8 39,-0.5 42,-0.6 -0.960 4.0-175.7-124.8 135.5 33.5 99.3 70.5 4 4 A V E -ab 92 45A 0 87,-2.1 89,-2.4 -2,-0.4 2,-0.4 -0.929 19.6-134.5-127.2 152.3 29.8 99.7 71.4 5 5 A I E -ab 93 46A 0 40,-2.4 42,-2.5 -2,-0.3 2,-0.4 -0.902 17.8-165.2-106.4 133.7 27.3 97.2 72.9 6 6 A V E -ab 94 47A 0 87,-3.2 89,-2.2 -2,-0.4 42,-0.2 -0.986 3.1-162.0-120.7 131.0 23.9 97.0 71.3 7 7 A I E - b 0 48A 0 40,-2.6 42,-1.7 -2,-0.4 2,-0.2 -0.915 10.0-149.8-116.9 101.9 21.1 95.2 73.1 8 8 A P E + b 0 49A 23 0, 0.0 89,-0.7 0, 0.0 42,-0.2 -0.509 21.5 175.1 -68.6 136.2 18.1 94.2 70.8 9 9 A A + 0 0 6 40,-3.0 2,-0.4 -2,-0.2 43,-0.3 -0.604 7.8 177.3-151.4 86.7 14.9 94.3 72.8 10 10 A R - 0 0 101 -2,-0.2 9,-0.2 40,-0.2 40,-0.1 -0.752 22.3-147.7 -92.5 132.5 11.6 93.6 71.1 11 11 A Y S S+ 0 0 51 -2,-0.4 7,-1.3 7,-0.1 8,-1.1 0.970 71.2 93.0 -59.2 -58.9 8.5 93.6 73.2 12 12 A G + 0 0 57 5,-0.2 2,-0.3 6,-0.1 -2,-0.1 -0.125 46.4 150.5 -47.9 118.2 6.5 91.0 71.3 13 13 A S - 0 0 35 1,-0.1 3,-0.3 6,-0.0 -2,-0.0 -0.969 40.2-141.2-152.8 133.5 7.0 87.5 72.6 14 14 A S S S+ 0 0 120 -2,-0.3 -1,-0.1 1,-0.2 -2,-0.0 0.968 101.3 26.5 -60.5 -61.7 4.6 84.5 72.4 15 15 A R S S+ 0 0 164 1,-0.2 -1,-0.2 210,-0.1 210,-0.0 0.230 136.0 32.0 -91.0 14.4 5.1 82.9 75.8 16 16 A L S > S- 0 0 18 -3,-0.3 3,-0.8 -5,-0.1 -1,-0.2 -0.308 75.1-162.0-167.4 70.9 6.2 86.1 77.5 17 17 A P T 3 S+ 0 0 88 0, 0.0 -5,-0.2 0, 0.0 -3,-0.1 -0.372 84.0 14.7 -62.3 131.0 4.7 89.3 76.2 18 18 A G T > S+ 0 0 4 -7,-1.3 3,-0.9 -2,-0.1 4,-0.5 0.929 81.3 169.4 68.6 45.0 6.7 92.4 77.2 19 19 A K G X + 0 0 31 -8,-1.1 3,-1.3 -3,-0.8 10,-0.3 0.894 69.4 51.5 -57.6 -46.9 9.6 90.1 78.1 20 20 A P G 3 S+ 0 0 5 0, 0.0 10,-2.9 0, 0.0 11,-0.3 0.687 107.5 56.2 -68.5 -12.9 12.2 92.9 78.6 21 21 A L G < S+ 0 0 54 -3,-0.9 -2,-0.2 7,-0.2 -3,-0.1 0.508 76.5 121.4 -95.7 -5.7 9.8 94.8 80.9 22 22 A L < - 0 0 39 -3,-1.3 7,-1.5 -4,-0.5 2,-0.2 -0.312 69.0-110.1 -60.4 138.1 9.3 91.9 83.4 23 23 A D E +J 28 0B 82 5,-0.2 2,-0.4 6,-0.1 -1,-0.1 -0.508 35.2 177.8 -76.4 134.6 10.3 92.8 87.0 24 24 A I E > S-J 27 0B 0 3,-2.3 3,-1.8 -2,-0.2 8,-0.1 -0.941 76.9 -28.6-137.4 110.0 13.4 91.2 88.5 25 25 A V T 3 S- 0 0 55 -2,-0.4 -2,-0.0 1,-0.3 -1,-0.0 0.862 128.5 -43.4 47.0 45.9 14.2 92.5 92.0 26 26 A G T 3 S+ 0 0 59 1,-0.2 -1,-0.3 0, 0.0 -3,-0.1 0.304 122.6 85.8 91.0 -9.6 12.6 95.8 91.4 27 27 A K E < S-J 24 0B 67 -3,-1.8 -3,-2.3 -5,-0.1 -1,-0.2 -0.932 82.0-102.2-126.4 149.9 13.9 96.6 87.9 28 28 A P E >> -J 23 0B 35 0, 0.0 4,-1.2 0, 0.0 3,-0.8 -0.331 38.1-114.2 -63.8 150.8 12.8 95.7 84.4 29 29 A M H >> S+ 0 0 0 -7,-1.5 4,-1.6 -10,-0.3 3,-0.6 0.920 116.2 58.4 -52.7 -46.7 14.8 92.9 82.8 30 30 A I H 3> S+ 0 0 0 -10,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.834 101.1 57.3 -54.8 -31.9 16.2 95.2 80.2 31 31 A Q H <> S+ 0 0 35 -3,-0.8 4,-3.4 -11,-0.3 -1,-0.2 0.902 102.6 52.8 -68.1 -40.6 17.6 97.4 82.9 32 32 A H H < S+ 0 0 34 -4,-1.9 3,-1.2 -5,-0.2 4,-0.2 0.878 108.5 56.7 -73.9 -36.2 25.8 95.0 83.4 37 37 A A H >< S+ 0 0 1 -4,-2.5 3,-2.0 1,-0.3 -2,-0.2 0.917 101.1 59.0 -59.7 -41.0 26.7 96.1 79.9 38 38 A L T 3< S+ 0 0 108 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.690 97.2 61.8 -60.9 -20.9 27.9 99.4 81.5 39 39 A Q T < S+ 0 0 109 -3,-1.2 2,-0.7 -4,-0.4 -1,-0.3 0.475 76.7 108.7 -85.8 -3.1 30.3 97.5 83.6 40 40 A V X - 0 0 8 -3,-2.0 3,-1.1 -4,-0.2 65,-0.1 -0.661 69.8-132.2 -80.2 114.1 32.2 96.1 80.6 41 41 A A T 3 S+ 0 0 65 -2,-0.7 3,-0.1 1,-0.2 -2,-0.1 -0.314 85.2 29.2 -64.3 145.6 35.6 97.8 80.3 42 42 A G T 3 S+ 0 0 47 1,-0.3 -39,-0.5 2,-0.0 2,-0.5 0.455 86.4 123.6 86.4 -0.2 36.6 99.2 76.9 43 43 A V < - 0 0 31 -3,-1.1 -1,-0.3 1,-0.1 -39,-0.2 -0.840 43.1-165.1 -99.4 130.9 33.1 99.9 75.7 44 44 A A + 0 0 61 -41,-2.8 2,-0.3 -2,-0.5 -40,-0.2 0.902 69.3 3.6 -78.4 -47.8 32.3 103.5 74.6 45 45 A E E -b 4 0A 46 -42,-0.6 -40,-2.4 2,-0.0 2,-0.4 -0.977 55.3-148.3-141.8 157.6 28.5 103.3 74.5 46 46 A V E -b 5 0A 6 -2,-0.3 19,-0.5 -42,-0.2 2,-0.3 -0.992 22.9-178.9-127.1 129.3 25.7 101.0 75.2 47 47 A W E -b 6 0A 51 -42,-2.5 -40,-2.6 -2,-0.4 2,-0.5 -0.936 22.3-142.4-128.7 156.8 22.5 101.1 73.2 48 48 A V E -bc 7 66A 0 17,-2.0 19,-2.4 -2,-0.3 2,-0.6 -0.976 15.9-155.7-119.6 121.9 19.1 99.3 73.2 49 49 A A E +bc 8 67A 0 -42,-1.7 -40,-3.0 -2,-0.5 2,-0.3 -0.895 26.5 161.2-100.7 123.2 17.7 98.6 69.8 50 50 A T E - c 0 68A 0 17,-1.9 19,-2.7 -2,-0.6 -40,-0.2 -0.900 42.7-155.1-140.8 166.3 13.9 98.2 69.8 51 51 A D S S+ 0 0 27 -42,-0.3 -41,-0.1 -2,-0.3 20,-0.1 0.275 77.6 77.3-121.2 5.4 10.8 98.3 67.6 52 52 A D >> - 0 0 25 -43,-0.3 4,-1.8 1,-0.1 3,-0.6 -0.975 67.5-145.1-125.1 131.5 8.3 99.1 70.3 53 53 A P H 3> S+ 0 0 71 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.824 99.9 59.9 -58.4 -37.8 7.7 102.6 71.9 54 54 A R H 3> S+ 0 0 129 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.864 108.0 45.4 -61.6 -36.3 6.9 101.1 75.3 55 55 A V H <> S+ 0 0 0 -3,-0.6 4,-2.1 2,-0.2 -1,-0.2 0.906 111.9 51.7 -73.3 -40.8 10.4 99.5 75.4 56 56 A E H X S+ 0 0 50 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.916 112.4 46.8 -60.4 -44.5 12.0 102.8 74.2 57 57 A Q H X S+ 0 0 112 -4,-2.9 4,-2.8 1,-0.2 -2,-0.2 0.932 109.9 52.0 -63.2 -47.5 10.1 104.7 77.0 58 58 A A H X S+ 0 0 23 -4,-2.2 4,-0.5 1,-0.2 -1,-0.2 0.843 111.6 48.6 -58.7 -35.6 11.1 102.2 79.7 59 59 A V H ><>S+ 0 0 0 -4,-2.1 5,-2.9 2,-0.2 3,-0.9 0.915 112.3 45.8 -71.9 -45.3 14.7 102.5 78.6 60 60 A Q H ><5S+ 0 0 88 -4,-2.2 3,-2.3 1,-0.2 -2,-0.2 0.893 101.6 69.3 -65.0 -36.5 14.7 106.3 78.6 61 61 A A H 3<5S+ 0 0 87 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.730 106.6 38.1 -54.2 -28.5 12.9 106.3 82.0 62 62 A F T <<5S- 0 0 58 -3,-0.9 -1,-0.3 -4,-0.5 -2,-0.2 0.359 126.4-101.7-105.3 8.7 16.1 104.9 83.6 63 63 A G T < 5S+ 0 0 65 -3,-2.3 -3,-0.2 1,-0.3 2,-0.2 0.679 72.3 145.5 84.8 20.2 18.3 107.1 81.4 64 64 A G < - 0 0 6 -5,-2.9 2,-0.5 -6,-0.1 -1,-0.3 -0.536 54.0-106.2 -90.2 158.4 19.4 104.5 78.9 65 65 A K - 0 0 95 -19,-0.5 -17,-2.0 -2,-0.2 2,-0.4 -0.723 40.1-176.7 -85.4 123.5 20.1 105.1 75.2 66 66 A A E -c 48 0A 18 -2,-0.5 2,-0.4 -19,-0.2 -17,-0.2 -0.934 11.1-168.1-122.1 144.0 17.4 103.7 72.9 67 67 A I E -c 49 0A 19 -19,-2.4 -17,-1.9 -2,-0.4 2,-0.2 -0.988 20.9-131.1-134.6 120.8 17.2 103.6 69.1 68 68 A M E -c 50 0A 78 -2,-0.4 2,-0.3 -19,-0.2 -17,-0.2 -0.496 29.1-176.9 -71.6 138.6 14.0 102.7 67.2 69 69 A T - 0 0 11 -19,-2.7 10,-0.1 -2,-0.2 2,-0.0 -0.806 35.3 -74.2-129.1 169.6 14.4 100.2 64.5 70 70 A R - 0 0 119 -2,-0.3 3,-0.5 1,-0.1 -1,-0.1 -0.353 26.0-148.1 -67.5 146.1 12.1 98.7 61.9 71 71 A N S S+ 0 0 115 1,-0.2 -1,-0.1 -20,-0.1 -20,-0.1 0.578 92.3 75.0 -87.6 -13.8 9.6 96.1 63.0 72 72 A D + 0 0 106 2,-0.0 2,-0.3 -21,-0.0 -1,-0.2 0.375 69.3 124.3 -77.9 2.3 9.8 94.3 59.7 73 73 A H - 0 0 16 -3,-0.5 3,-0.1 1,-0.2 -4,-0.0 -0.501 46.2-165.9 -68.4 128.6 13.2 92.9 60.8 74 74 A E + 0 0 144 -2,-0.3 2,-0.3 1,-0.1 -1,-0.2 0.819 69.0 28.6 -84.1 -31.8 13.3 89.1 60.7 75 75 A S S > S- 0 0 15 1,-0.0 4,-1.9 126,-0.0 3,-0.2 -0.900 71.7-121.3-135.0 159.5 16.4 88.8 62.8 76 76 A G H > S+ 0 0 29 -2,-0.3 4,-0.6 1,-0.2 -1,-0.0 0.525 114.1 56.3 -72.1 -8.7 18.4 90.4 65.5 77 77 A T H > S+ 0 0 11 2,-0.2 4,-1.1 3,-0.1 -1,-0.2 0.783 105.1 49.6 -90.5 -33.3 21.4 90.6 63.2 78 78 A D H > S+ 0 0 24 -3,-0.2 4,-1.6 2,-0.2 3,-0.5 0.914 109.5 52.9 -67.8 -41.6 19.4 92.6 60.6 79 79 A R H X S+ 0 0 5 -4,-1.9 4,-1.4 1,-0.3 -1,-0.2 0.863 106.9 52.8 -60.3 -36.5 18.3 94.9 63.3 80 80 A L H X S+ 0 0 1 -4,-0.6 4,-2.1 2,-0.2 -1,-0.3 0.772 102.7 58.3 -70.6 -29.2 22.0 95.4 64.3 81 81 A V H X S+ 0 0 15 -4,-1.1 4,-1.1 -3,-0.5 -2,-0.2 0.917 105.2 50.0 -66.9 -42.0 22.8 96.3 60.6 82 82 A E H X S+ 0 0 29 -4,-1.6 4,-0.7 1,-0.2 3,-0.3 0.884 111.6 48.5 -63.0 -38.8 20.3 99.2 60.8 83 83 A V H >X S+ 0 0 0 -4,-1.4 4,-3.2 1,-0.2 3,-0.8 0.876 102.7 63.3 -68.7 -38.1 21.9 100.4 64.0 84 84 A M H 3< S+ 0 0 0 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.807 97.5 56.0 -56.1 -34.8 25.4 100.2 62.5 85 85 A H H 3< S+ 0 0 130 -4,-1.1 -1,-0.2 -3,-0.3 -2,-0.2 0.825 118.0 33.3 -69.0 -32.5 24.6 102.8 59.9 86 86 A K H << S+ 0 0 154 -3,-0.8 2,-0.6 -4,-0.7 -2,-0.2 0.814 116.2 55.8 -91.9 -37.9 23.6 105.4 62.6 87 87 A V S < S- 0 0 10 -4,-3.2 2,-0.3 -5,-0.1 -1,-0.2 -0.886 79.1-143.6-103.8 116.6 26.0 104.4 65.4 88 88 A E + 0 0 135 -2,-0.6 2,-0.3 -3,-0.1 -3,-0.1 -0.585 37.3 133.1 -84.5 135.0 29.6 104.4 64.5 89 89 A A - 0 0 0 -2,-0.3 -86,-0.2 -5,-0.2 3,-0.1 -0.960 52.8-134.2-167.7 159.5 32.1 101.8 66.0 90 90 A D S S+ 0 0 71 -88,-3.1 90,-1.9 1,-0.3 2,-0.4 0.758 99.4 31.3 -90.4 -30.9 34.8 99.5 64.8 91 91 A I E -aD 3 179A 0 -89,-2.1 -87,-2.1 88,-0.2 2,-0.5 -0.993 69.0-163.1-132.3 126.1 33.4 96.6 66.8 92 92 A Y E -aD 4 178A 0 86,-2.7 86,-3.1 -2,-0.4 2,-0.5 -0.939 5.5-158.6-110.8 130.7 29.8 95.9 67.7 93 93 A I E -aD 5 177A 0 -89,-2.4 -87,-3.2 -2,-0.5 2,-0.6 -0.925 6.5-151.7-110.0 128.6 28.8 93.5 70.4 94 94 A N E -aD 6 176A 5 82,-3.1 82,-1.5 -2,-0.5 2,-0.4 -0.911 15.0-173.7-103.2 115.2 25.3 92.0 70.3 95 95 A L - 0 0 3 -89,-2.2 2,-0.3 -2,-0.6 80,-0.1 -0.866 28.3-113.0-107.7 144.8 23.9 91.1 73.8 96 96 A Q > - 0 0 65 -2,-0.4 3,-1.2 -89,-0.1 6,-0.1 -0.591 14.4-144.0 -78.4 132.1 20.6 89.3 74.3 97 97 A G T 3 S+ 0 0 10 -89,-0.7 -64,-0.2 -2,-0.3 -1,-0.1 0.557 96.5 56.3 -72.1 -5.5 18.0 91.4 76.0 98 98 A D T 3 S+ 0 0 32 1,-0.1 126,-1.3 -65,-0.1 -1,-0.2 0.139 83.5 83.5-113.0 19.1 16.7 88.4 77.9 99 99 A E X + 0 0 43 -3,-1.2 3,-1.5 124,-0.2 -1,-0.1 -0.604 45.3 166.3-122.8 74.5 19.9 87.2 79.7 100 100 A P T 3 S+ 0 0 0 0, 0.0 -1,-0.1 0, 0.0 123,-0.1 0.600 70.5 65.3 -62.4 -15.8 20.0 89.4 82.8 101 101 A M T 3 + 0 0 29 121,-0.2 120,-0.4 -3,-0.1 122,-0.1 0.277 69.6 141.7 -96.3 16.1 22.6 87.2 84.4 102 102 A I < - 0 0 14 -3,-1.5 3,-0.1 -6,-0.1 -7,-0.0 -0.175 50.0-129.9 -54.8 139.4 25.3 88.0 81.9 103 103 A R >> - 0 0 81 1,-0.1 3,-1.3 118,-0.1 4,-1.1 -0.891 3.3-144.7 -99.0 123.1 28.8 88.4 83.4 104 104 A P H 3> S+ 0 0 11 0, 0.0 4,-1.6 0, 0.0 3,-0.2 0.825 99.2 61.6 -52.7 -34.6 30.7 91.5 82.4 105 105 A R H 3> S+ 0 0 137 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.833 98.5 56.0 -64.4 -31.6 34.0 89.6 82.4 106 106 A D H <> S+ 0 0 16 -3,-1.3 4,-1.8 2,-0.2 -1,-0.2 0.875 106.4 49.3 -68.9 -37.4 32.7 87.3 79.6 107 107 A V H X S+ 0 0 0 -4,-1.1 4,-2.3 1,-0.2 -1,-0.2 0.854 109.5 53.4 -70.0 -31.3 32.0 90.2 77.3 108 108 A E H X S+ 0 0 48 -4,-1.6 4,-2.8 2,-0.2 -2,-0.2 0.872 105.6 52.7 -69.6 -36.9 35.5 91.5 78.1 109 109 A T H X S+ 0 0 61 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.940 111.3 47.5 -61.1 -47.0 37.0 88.1 77.1 110 110 A L H X S+ 0 0 0 -4,-1.8 4,-1.6 1,-0.2 -2,-0.2 0.900 113.7 46.9 -60.4 -44.3 35.1 88.4 73.8 111 111 A L H X S+ 0 0 5 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.867 109.7 52.8 -68.1 -40.4 36.3 92.0 73.3 112 112 A Q H X S+ 0 0 103 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.865 106.3 55.1 -64.1 -35.6 39.9 91.2 74.1 113 113 A G H X S+ 0 0 9 -4,-1.9 4,-0.8 1,-0.2 -1,-0.2 0.924 107.3 48.8 -63.4 -43.9 39.8 88.4 71.6 114 114 A M H < S+ 0 0 0 -4,-1.6 3,-0.3 1,-0.2 6,-0.2 0.864 114.5 45.8 -63.7 -37.8 38.7 90.8 68.8 115 115 A R H < S+ 0 0 81 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.813 106.6 57.5 -76.9 -29.9 41.4 93.3 69.7 116 116 A D H < S+ 0 0 120 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.643 115.2 38.8 -75.2 -13.9 44.2 90.7 70.0 117 117 A D >< - 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0 0 85 0, 0.0 2,-0.2 0, 0.0 17,-0.1 -0.462 27.8 -98.0 -81.5 156.7 22.3 84.8 50.6 191 191 A E - 0 0 99 -2,-0.1 2,-0.2 1,-0.1 10,-0.0 -0.547 42.6-134.7 -69.2 138.8 20.5 82.4 53.1 192 192 A S > - 0 0 3 -2,-0.2 4,-2.1 1,-0.1 5,-0.2 -0.593 12.9-120.4 -95.4 161.3 22.2 79.0 53.2 193 193 A M H > S+ 0 0 62 -2,-0.2 4,-2.4 2,-0.2 5,-0.2 0.927 114.8 49.6 -65.6 -44.7 20.6 75.6 53.0 194 194 A P H > S+ 0 0 8 0, 0.0 4,-2.8 0, 0.0 5,-0.3 0.896 109.6 53.0 -63.1 -35.9 22.1 74.6 56.4 195 195 A E H >>S+ 0 0 15 1,-0.2 4,-2.2 2,-0.2 5,-1.1 0.931 113.5 42.1 -62.2 -46.8 20.8 77.9 58.0 196 196 A Q H <5S+ 0 0 64 -4,-2.1 -1,-0.2 2,-0.2 216,-0.2 0.812 116.7 48.4 -70.1 -34.3 17.3 77.3 56.7 197 197 A A H <5S+ 0 0 0 -4,-2.4 212,-2.4 215,-0.3 211,-0.7 0.966 124.0 29.9 -69.5 -52.8 17.3 73.6 57.7 198 198 A E H <5S- 0 0 0 -4,-2.8 -2,-0.2 -5,-0.2 -3,-0.2 0.687 99.2-132.2 -78.3 -25.6 18.7 74.1 61.2 199 199 A S T <5 + 0 0 65 -4,-2.2 2,-0.5 -5,-0.3 -3,-0.2 0.942 60.2 137.0 67.8 46.9 17.1 77.6 61.7 200 200 A L > < - 0 0 8 -5,-1.1 3,-1.8 -6,-0.2 4,-0.3 -0.942 43.0-160.0-126.8 105.7 20.5 79.0 62.9 201 201 A E T > S+ 0 0 47 -2,-0.5 3,-2.1 1,-0.3 4,-0.4 0.800 84.5 70.1 -58.7 -30.6 21.3 82.4 61.5 202 202 A Q T >> S+ 0 0 16 1,-0.3 4,-1.1 2,-0.2 3,-0.6 0.677 84.6 70.6 -64.5 -14.7 25.0 82.2 62.3 203 203 A L H <> S+ 0 0 2 -3,-1.8 4,-2.1 1,-0.2 -1,-0.3 0.730 83.6 70.8 -74.7 -16.8 25.3 79.5 59.6 204 204 A R H <> S+ 0 0 14 -3,-2.1 4,-0.9 -4,-0.3 -1,-0.2 0.870 99.9 47.3 -65.4 -33.0 24.7 82.3 57.0 205 205 A L H <4>S+ 0 0 3 -3,-0.6 5,-2.4 -4,-0.4 3,-0.3 0.888 110.1 50.8 -73.2 -42.7 28.2 83.6 57.9 206 206 A M H ><5S+ 0 0 12 -4,-1.1 3,-1.4 1,-0.2 -2,-0.2 0.841 103.7 59.3 -64.9 -33.7 29.9 80.2 57.7 207 207 A N H 3<5S+ 0 0 19 -4,-2.1 185,-2.0 1,-0.3 186,-0.3 0.859 106.0 49.2 -61.4 -35.7 28.3 79.6 54.2 208 208 A A T 3<5S- 0 0 42 -4,-0.9 -1,-0.3 -3,-0.3 -2,-0.2 0.323 121.6-107.1 -87.0 4.0 30.1 82.7 53.0 209 209 A G T < 5 + 0 0 53 -3,-1.4 2,-0.6 1,-0.3 -3,-0.2 0.658 66.4 152.1 80.6 16.4 33.4 81.7 54.4 210 210 A I < - 0 0 39 -5,-2.4 -1,-0.3 -6,-0.1 2,-0.1 -0.715 42.8-128.5 -86.2 119.8 33.4 84.2 57.3 211 211 A N - 0 0 52 -2,-0.6 -89,-0.9 -3,-0.1 2,-0.5 -0.408 19.5-164.8 -68.9 140.3 35.4 82.8 60.2 212 212 A I E -f 122 0A 0 -62,-0.3 -62,-2.7 -2,-0.1 2,-0.4 -0.976 6.9-154.5-127.9 111.1 33.8 82.8 63.7 213 213 A R E -fI 123 149A 35 -91,-2.2 -89,-2.0 -2,-0.5 2,-0.5 -0.735 9.5-151.7 -87.4 139.5 36.2 82.3 66.6 214 214 A T E -f 124 0A 2 -66,-2.9 2,-0.4 -2,-0.4 -89,-0.2 -0.945 4.5-158.6-118.5 115.6 34.6 80.8 69.8 215 215 A F E -f 125 0A 31 -91,-2.6 -89,-1.8 -2,-0.5 2,-0.4 -0.739 16.9-129.5 -94.4 137.1 35.9 81.6 73.2 216 216 A E E +f 126 0A 89 -2,-0.4 2,-0.2 -91,-0.2 -89,-0.2 -0.710 31.4 169.4 -90.4 130.3 35.1 79.2 76.1 217 217 A V - 0 0 17 -91,-2.7 -89,-0.4 -2,-0.4 3,-0.1 -0.724 40.7 -79.6-126.6 175.5 33.8 80.6 79.4 218 218 A A S S- 0 0 67 -2,-0.2 -1,-0.1 1,-0.2 -92,-0.0 -0.278 71.2 -65.0 -72.5 164.1 32.3 79.0 82.5 219 219 A A - 0 0 66 1,-0.1 -1,-0.2 -91,-0.0 2,-0.1 -0.276 61.5-130.9 -52.4 128.1 28.6 77.8 82.5 220 220 A T - 0 0 39 1,-0.1 3,-0.1 -3,-0.1 -118,-0.1 -0.465 24.4 -92.4 -83.6 157.3 26.5 80.9 82.1 221 221 A G - 0 0 24 -120,-0.4 2,-0.2 1,-0.1 -1,-0.1 -0.141 56.2 -78.9 -62.6 162.2 23.5 81.7 84.3 222 222 A P - 0 0 33 0, 0.0 -121,-0.2 0, 0.0 -1,-0.1 -0.427 45.8-138.2 -67.9 132.4 19.9 80.6 83.3 223 223 A G - 0 0 31 -2,-0.2 2,-0.5 -3,-0.1 3,-0.2 -0.089 21.4-105.6 -76.3-175.9 18.3 82.7 80.6 224 224 A V S S+ 0 0 3 -126,-1.3 -1,-0.0 1,-0.1 -205,-0.0 -0.941 72.6 107.7-124.0 113.6 14.6 83.8 80.7 225 225 A D S S+ 0 0 83 -2,-0.5 -1,-0.1 1,-0.4 -210,-0.1 0.349 73.7 57.6-149.9 -24.2 12.1 82.1 78.4 226 226 A T S > S- 0 0 43 -3,-0.2 4,-1.9 1,-0.1 -1,-0.4 -0.938 77.5-130.2-118.5 138.8 10.1 79.9 80.8 227 227 A P H > S+ 0 0 75 0, 0.0 4,-1.2 0, 0.0 -1,-0.1 0.674 112.0 58.1 -59.7 -16.0 8.2 81.2 83.9 228 228 A A H > S+ 0 0 67 2,-0.2 4,-1.2 1,-0.1 5,-0.1 0.909 108.1 41.9 -79.1 -46.4 10.0 78.4 85.8 229 229 A C H > S+ 0 0 37 -3,-0.3 4,-2.1 1,-0.2 -1,-0.1 0.735 109.2 62.5 -71.5 -22.9 13.5 79.7 84.8 230 230 A L H X S+ 0 0 10 -4,-1.9 4,-2.7 2,-0.2 -1,-0.2 0.924 103.3 47.2 -66.7 -44.5 12.2 83.2 85.5 231 231 A E H X S+ 0 0 106 -4,-1.2 4,-2.0 1,-0.2 -1,-0.2 0.810 111.4 52.4 -66.2 -31.8 11.6 82.3 89.2 232 232 A K H X S+ 0 0 92 -4,-1.2 4,-2.5 2,-0.2 -1,-0.2 0.898 110.3 47.0 -71.0 -41.0 15.1 80.8 89.3 233 233 A V H X S+ 0 0 0 -4,-2.1 4,-3.2 2,-0.2 5,-0.3 0.932 110.6 53.5 -65.8 -44.1 16.7 83.9 88.0 234 234 A R H X S+ 0 0 72 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.918 114.8 39.8 -56.1 -47.2 14.7 86.0 90.4 235 235 A A H X S+ 0 0 61 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.859 116.7 50.8 -70.3 -36.8 15.9 84.0 93.4 236 236 A L H X S+ 0 0 61 -4,-2.5 4,-0.9 2,-0.2 -2,-0.2 0.848 112.6 46.3 -68.9 -35.6 19.4 83.7 91.9 237 237 A M H X S+ 0 0 4 -4,-3.2 4,-1.5 2,-0.2 -2,-0.2 0.897 114.9 46.6 -72.9 -43.1 19.5 87.5 91.4 238 238 A A H X S+ 0 0 44 -4,-2.3 4,-1.6 -5,-0.3 -2,-0.2 0.862 110.0 53.3 -66.4 -38.1 18.1 88.1 94.9 239 239 A Q H X S+ 0 0 109 -4,-2.4 4,-0.8 1,-0.2 -1,-0.2 0.801 107.7 54.0 -66.6 -27.8 20.6 85.6 96.4 240 240 A E H X S+ 0 0 56 -4,-0.9 4,-1.1 2,-0.2 -2,-0.2 0.852 103.8 53.3 -75.1 -37.8 23.3 87.6 94.6 241 241 A L H < S+ 0 0 110 -4,-1.5 3,-0.5 1,-0.2 -2,-0.2 0.928 110.1 46.5 -62.7 -48.7 22.3 91.0 96.1 242 242 A A H < S+ 0 0 81 -4,-1.6 3,-0.5 1,-0.2 -1,-0.2 0.725 107.8 58.7 -66.7 -24.3 22.5 89.7 99.7 243 243 A E H < S+ 0 0 129 -4,-0.8 2,-0.6 1,-0.3 -1,-0.2 0.790 104.2 51.6 -75.2 -30.7 25.9 88.0 98.9 244 244 A N < 0 0 119 -4,-1.1 -1,-0.3 -3,-0.5 -2,-0.1 -0.528 360.0 360.0-105.8 62.3 27.4 91.3 98.0 245 245 A A 0 0 151 -2,-0.6 -3,-0.1 -3,-0.5 -4,-0.0 -0.935 360.0 360.0-115.1 360.0 26.5 93.3 101.1 246 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 247 1 B S 0 0 94 0, 0.0 2,-0.5 0, 0.0 114,-0.0 0.000 360.0 360.0 360.0 85.0 52.1 68.6 38.1 248 2 B K - 0 0 77 41,-0.1 88,-3.0 42,-0.0 89,-1.9 -0.695 360.0-170.8 -84.4 125.1 52.6 64.9 38.5 249 3 B A E -k 337 0C 0 -2,-0.5 41,-2.8 39,-0.5 42,-0.7 -0.927 3.5-173.7-117.4 139.3 49.8 62.9 40.0 250 4 B V E -kl 338 291C 0 87,-2.0 89,-2.8 -2,-0.4 2,-0.4 -0.951 18.6-135.8-130.6 147.7 49.9 59.2 41.1 251 5 B I E -kl 339 292C 0 40,-2.5 42,-2.4 -2,-0.3 2,-0.4 -0.893 18.9-166.5-103.1 132.3 47.1 56.9 42.4 252 6 B V E -kl 340 293C 0 87,-3.1 89,-2.3 -2,-0.4 42,-0.2 -0.981 4.3-161.3-120.5 132.9 47.9 54.8 45.4 253 7 B I E - l 0 294C 0 40,-2.3 42,-2.9 -2,-0.4 2,-0.3 -0.951 10.1-148.6-117.9 105.8 45.6 51.8 46.4 254 8 B P E + l 0 295C 18 0, 0.0 89,-0.7 0, 0.0 42,-0.2 -0.604 25.0 168.7 -72.2 131.5 46.0 50.6 50.0 255 9 B A - 0 0 6 40,-2.8 42,-0.4 -2,-0.3 43,-0.3 -0.580 8.1-179.1-148.9 78.7 45.3 46.9 50.1 256 10 B R - 0 0 121 40,-0.2 9,-0.1 -2,-0.1 40,-0.1 -0.504 30.5-130.2 -75.7 152.0 46.2 45.1 53.3 257 11 B Y S S+ 0 0 56 -2,-0.2 7,-1.2 8,-0.1 8,-1.0 0.936 78.3 86.4 -69.1 -44.5 45.5 41.4 53.3 258 12 B G + 0 0 24 5,-0.2 2,-0.2 6,-0.2 -2,-0.1 -0.070 40.2 155.1 -65.2 155.6 43.7 41.4 56.6 259 13 B S - 0 0 26 1,-0.1 212,-0.0 6,-0.1 6,-0.0 -0.805 38.8-136.4-174.7 130.5 40.0 42.0 57.4 260 14 B S S S+ 0 0 127 -2,-0.2 -1,-0.1 1,-0.2 -2,-0.0 0.818 107.9 31.2 -65.1 -30.7 38.0 40.7 60.4 261 15 B R S S+ 0 0 150 210,-0.2 -1,-0.2 1,-0.2 210,-0.0 0.671 134.3 24.6-100.0 -23.0 35.0 39.8 58.2 262 16 B L S > S- 0 0 18 210,-0.1 3,-0.9 208,-0.1 -1,-0.2 -0.505 76.0-156.8-144.6 73.7 36.8 38.8 55.0 263 17 B P T 3 S+ 0 0 91 0, 0.0 -5,-0.2 0, 0.0 -3,-0.1 -0.132 84.3 20.1 -50.5 142.3 40.4 37.7 55.5 264 18 B G T > S+ 0 0 5 -7,-1.2 3,-1.7 1,-0.1 4,-0.4 0.806 81.3 167.2 63.8 32.8 42.4 38.2 52.3 265 19 B K G X + 0 0 30 -8,-1.0 3,-1.4 -3,-0.9 10,-0.3 0.794 64.4 57.4 -48.6 -45.2 39.9 40.7 51.0 266 20 B P G 3 S+ 0 0 6 0, 0.0 10,-2.4 0, 0.0 11,-0.3 0.722 106.4 51.7 -64.1 -18.6 41.9 42.1 48.1 267 21 B L G < S+ 0 0 53 -3,-1.7 -2,-0.2 7,-0.2 2,-0.1 0.449 78.2 124.2 -97.4 -0.0 42.3 38.6 46.5 268 22 B L < - 0 0 42 -3,-1.4 7,-2.1 -4,-0.4 2,-0.2 -0.381 66.5-113.7 -64.4 134.3 38.6 37.7 46.6 269 23 B D E -T 274 0D 80 5,-0.2 2,-0.4 -2,-0.1 -1,-0.1 -0.474 32.2-178.3 -74.5 133.6 37.3 36.7 43.2 270 24 B I E > S-T 273 0D 0 3,-2.7 3,-1.9 -2,-0.2 207,-0.0 -0.963 73.9 -35.2-134.6 110.2 34.8 38.9 41.4 271 25 B V T 3 S- 0 0 63 -2,-0.4 -2,-0.0 1,-0.3 -1,-0.0 0.800 129.4 -34.1 41.7 44.4 33.6 37.6 38.1 272 26 B G T 3 S+ 0 0 59 1,-0.2 -1,-0.3 0, 0.0 -3,-0.1 0.189 125.0 71.6 108.2 -19.5 37.0 36.2 37.2 273 27 B K E < S-T 270 0D 70 -3,-1.9 -3,-2.7 -5,-0.1 -1,-0.2 -0.944 84.3-100.2-131.8 150.8 39.5 38.6 38.7 274 28 B P E >> -T 269 0D 30 0, 0.0 3,-1.2 0, 0.0 4,-1.1 -0.366 41.3-111.2 -64.9 150.1 40.6 39.4 42.3 275 29 B M H >> S+ 0 0 1 -7,-2.1 4,-1.6 -10,-0.3 3,-0.8 0.901 116.2 59.2 -48.9 -44.3 38.9 42.5 43.7 276 30 B I H 3> S+ 0 0 0 -10,-2.4 4,-2.5 1,-0.3 -1,-0.3 0.807 100.3 56.3 -57.9 -31.3 42.2 44.4 43.6 277 31 B Q H <> S+ 0 0 30 -3,-1.2 4,-2.2 -11,-0.3 -1,-0.3 0.851 103.4 53.4 -71.3 -35.4 42.6 43.9 39.9 278 32 B H H < S+ 0 0 35 -4,-1.6 3,-1.1 1,-0.2 -2,-0.2 0.872 108.8 56.5 -72.1 -33.1 39.8 51.3 36.5 283 37 B A H >< S+ 0 0 2 -4,-2.2 3,-1.7 1,-0.3 -2,-0.2 0.867 100.5 57.9 -64.8 -36.9 42.5 53.4 38.0 284 38 B L T 3< S+ 0 0 106 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.660 97.8 63.1 -67.3 -16.9 44.6 53.0 34.8 285 39 B Q T < S+ 0 0 124 -3,-1.1 2,-0.7 -4,-0.4 -1,-0.3 0.426 77.4 107.6 -86.3 -1.2 41.7 54.5 32.9 286 40 B V X - 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