==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-JAN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 25-FEB-11 3QVB . COMPND 2 MOLECULE: GLYCOGENIN-1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.CHAIKUAD,D.S.FROESE,W.W.YUE,E.KRYSZTOFINSKA,F.VON DELFT,J. . 251 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12153.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 173 68.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 9.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 17 6.8 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 . 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 . 17 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 15.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 65 25.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.4 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 3 1 1 0 0 0 0 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 0 2 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 PARALLEL BRIDGES PER LADDER . 0 1 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 0 ANTIPARALLEL BRIDGES PER LADDER . 1 1 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 0 A S 0 0 130 0, 0.0 2,-0.6 0, 0.0 33,-0.2 0.000 360.0 360.0 360.0 176.2 0.5 16.4 24.4 2 1 A M E > +a 34 0A 66 31,-1.3 3,-0.8 3,-0.2 33,-0.6 -0.942 360.0 178.4-108.4 97.4 4.1 16.3 25.6 3 2 A T E 3 S+ 0 0 96 -2,-0.6 -1,-0.1 1,-0.2 31,-0.1 0.573 74.3 66.3 -75.8 -9.6 5.0 20.1 25.2 4 3 A D E 3 S+ 0 0 66 92,-0.1 93,-2.0 1,-0.1 94,-1.0 0.637 99.7 47.9 -83.2 -22.8 8.5 19.3 26.6 5 4 A Q E < + b 0 98A 18 -3,-0.8 30,-2.4 91,-0.2 2,-0.3 -0.952 61.6 179.5-137.1 146.0 9.7 17.0 23.7 6 5 A A E -ab 35 99A 0 92,-1.1 94,-2.2 -2,-0.4 2,-0.5 -0.983 32.0-129.1-145.7 147.2 9.9 17.2 20.0 7 6 A F E -ab 36 100A 4 28,-2.9 30,-2.6 -2,-0.3 2,-0.4 -0.860 38.7-162.2 -84.9 134.5 10.9 15.6 16.8 8 7 A V E +ab 37 101A 1 92,-2.7 94,-2.9 -2,-0.5 2,-0.2 -0.979 14.8 169.1-124.9 136.2 12.9 18.2 14.8 9 8 A T E -a 38 0A 1 28,-1.8 30,-3.0 -2,-0.4 2,-0.4 -0.771 22.1-126.6-135.6-177.7 13.7 18.3 11.1 10 9 A L E -a 39 0A 19 92,-0.3 94,-0.4 -2,-0.2 2,-0.4 -0.999 16.1-179.1-142.0 130.8 15.2 20.7 8.5 11 10 A T E +a 40 0A 0 28,-2.9 30,-1.4 -2,-0.4 33,-0.2 -0.961 9.0 171.8-132.3 118.7 14.1 22.1 5.2 12 11 A T S S+ 0 0 20 -2,-0.4 2,-0.3 28,-0.2 31,-0.2 0.511 73.6 13.1 -97.2 -7.2 16.2 24.5 3.1 13 12 A N S > S- 0 0 41 31,-0.1 4,-1.6 29,-0.1 31,-0.2 -0.946 86.1 -90.8-155.8 176.2 14.1 24.4 -0.0 14 13 A D H > S+ 0 0 56 29,-0.4 4,-0.7 -2,-0.3 30,-0.1 0.782 118.2 57.0 -64.7 -26.3 10.7 23.2 -1.4 15 14 A A H >> S+ 0 0 31 2,-0.2 3,-1.4 1,-0.2 4,-0.9 0.976 109.7 40.6 -69.2 -58.9 12.1 19.8 -2.4 16 15 A Y H 3> S+ 0 0 80 1,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.768 105.7 69.6 -60.9 -27.7 13.4 18.7 1.0 17 16 A A H 3X S+ 0 0 0 -4,-1.6 4,-1.8 2,-0.2 -1,-0.3 0.806 93.8 55.9 -55.7 -34.4 10.1 20.3 2.3 18 17 A K H S+ 0 0 6 -4,-2.0 5,-1.9 2,-0.2 -1,-0.2 0.885 113.2 46.2 -66.7 -38.1 5.3 10.3 12.7 28 27 A K H ><5S+ 0 0 94 -4,-1.9 3,-1.9 3,-0.2 -2,-0.2 0.912 108.0 56.0 -69.5 -45.6 1.6 11.2 13.1 29 28 A Q H 3<5S+ 0 0 115 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.880 107.9 48.8 -49.5 -44.3 0.5 8.0 11.4 30 29 A H T 3<5S- 0 0 60 -4,-1.7 -1,-0.3 80,-0.1 -2,-0.2 0.234 119.0-116.4 -88.1 14.5 2.4 6.1 14.1 31 30 A R T < 5 - 0 0 209 -3,-1.9 -3,-0.2 1,-0.1 -2,-0.1 0.866 37.6-169.9 61.3 47.7 0.8 8.2 16.7 32 31 A T < - 0 0 23 -5,-1.9 -1,-0.1 1,-0.1 4,-0.1 -0.389 16.4-154.0 -58.6 144.9 3.7 10.1 18.3 33 32 A T + 0 0 78 2,-0.1 -31,-1.3 -32,-0.1 2,-0.1 0.351 68.7 91.2 -98.4 1.4 2.6 12.0 21.5 34 33 A R E S-a 2 0A 50 -33,-0.2 -28,-0.2 1,-0.1 2,-0.2 -0.434 84.4 -93.5 -95.2 171.0 5.5 14.5 21.0 35 34 A R E -a 6 0A 57 -30,-2.4 -28,-2.9 -33,-0.6 2,-0.5 -0.494 29.4-137.5 -84.4 151.4 5.6 17.8 19.2 36 35 A L E +a 7 0A 0 -30,-0.2 21,-1.8 -2,-0.2 22,-1.6 -0.962 24.4 179.9-114.9 120.7 6.7 18.1 15.5 37 36 A V E -ac 8 58A 0 -30,-2.6 -28,-1.8 -2,-0.5 2,-0.4 -0.966 10.6-166.6-125.4 134.5 9.0 20.9 14.7 38 37 A V E -ac 9 59A 0 20,-2.2 22,-2.3 -2,-0.4 2,-0.5 -0.992 14.1-144.9-120.2 129.1 10.5 21.9 11.3 39 38 A L E -ac 10 60A 0 -30,-3.0 -28,-2.9 -2,-0.4 2,-0.3 -0.788 28.4-172.1 -84.6 125.5 13.4 24.4 10.9 40 39 A A E -ac 11 61A 0 20,-2.7 22,-2.7 -2,-0.5 -28,-0.2 -0.918 15.9-144.7-123.9 147.4 12.9 26.3 7.6 41 40 A T > - 0 0 14 -30,-1.4 3,-1.7 -2,-0.3 22,-0.2 -0.623 34.6-107.0-100.7 166.2 14.9 28.8 5.6 42 41 A P T 3 S+ 0 0 64 0, 0.0 4,-0.1 0, 0.0 21,-0.1 0.657 114.8 74.7 -67.1 -13.4 13.6 31.8 3.6 43 42 A Q T 3 S+ 0 0 135 -31,-0.2 2,-0.5 2,-0.1 -29,-0.4 0.614 77.0 91.2 -67.6 -19.6 14.4 29.8 0.4 44 43 A V S < S- 0 0 0 -3,-1.7 -31,-0.1 -31,-0.2 5,-0.1 -0.744 91.8-115.3 -78.0 122.8 11.3 27.8 1.3 45 44 A S > - 0 0 45 -2,-0.5 4,-2.3 1,-0.1 3,-0.3 -0.246 14.7-120.9 -58.6 146.9 8.3 29.5 -0.5 46 45 A D H > S+ 0 0 116 1,-0.2 4,-1.6 2,-0.2 -1,-0.1 0.837 115.8 55.4 -57.6 -34.5 5.6 31.1 1.7 47 46 A S H > S+ 0 0 93 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.861 107.3 47.5 -68.4 -38.5 3.2 28.7 0.0 48 47 A M H > S+ 0 0 31 -3,-0.3 4,-2.4 2,-0.2 -2,-0.2 0.863 107.6 56.0 -71.5 -34.0 5.2 25.7 1.0 49 48 A R H X S+ 0 0 56 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.896 103.9 55.7 -59.7 -38.7 5.5 26.9 4.6 50 49 A K H < S+ 0 0 127 -4,-1.6 4,-0.3 2,-0.2 -1,-0.2 0.872 108.4 46.4 -61.8 -37.0 1.7 27.1 4.7 51 50 A V H >< S+ 0 0 32 -4,-1.1 3,-1.5 1,-0.2 4,-0.4 0.909 109.8 54.9 -71.1 -40.2 1.6 23.4 3.8 52 51 A L H >X S+ 0 0 0 -4,-2.4 4,-2.9 1,-0.3 3,-1.5 0.863 99.1 61.9 -58.9 -39.2 4.3 22.6 6.4 53 52 A E T 3< S+ 0 0 123 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.629 95.3 62.2 -61.9 -15.9 2.1 24.3 9.1 54 53 A T T <4 S+ 0 0 54 -3,-1.5 -1,-0.2 -4,-0.3 -2,-0.2 0.624 116.9 27.6 -81.6 -16.8 -0.6 21.6 8.4 55 54 A V T <4 S+ 0 0 3 -3,-1.5 2,-0.3 -4,-0.4 -2,-0.2 0.732 115.1 63.1-111.2 -40.7 1.8 18.8 9.5 56 55 A F < - 0 0 10 -4,-2.9 -19,-0.2 1,-0.1 3,-0.1 -0.687 63.1-147.3 -97.4 146.7 4.1 20.5 12.0 57 56 A D S S+ 0 0 68 -21,-1.8 2,-0.4 -2,-0.3 -20,-0.2 0.861 91.2 25.0 -71.7 -42.1 3.3 22.1 15.3 58 57 A E E -c 37 0A 69 -22,-1.6 -20,-2.2 -6,-0.1 2,-0.6 -0.997 58.3-167.6-126.3 133.4 6.1 24.7 14.9 59 58 A V E -c 38 0A 31 -2,-0.4 2,-0.6 -22,-0.2 -20,-0.2 -0.959 21.2-166.1-111.9 106.5 7.6 26.0 11.7 60 59 A I E -c 39 0A 43 -22,-2.3 -20,-2.7 -2,-0.6 2,-0.3 -0.845 11.6-138.7-105.1 117.0 10.7 27.9 12.9 61 60 A M E -c 40 0A 80 -2,-0.6 2,-0.4 -22,-0.2 -20,-0.2 -0.578 21.2-178.0 -77.3 133.6 12.4 30.2 10.5 62 61 A V + 0 0 10 -22,-2.7 2,-0.4 -2,-0.3 24,-0.1 -0.992 6.2 178.1-132.4 124.5 16.2 30.2 10.5 63 62 A D > - 0 0 54 -2,-0.4 3,-1.8 -22,-0.2 6,-0.3 -0.829 9.6-178.0-130.5 95.5 18.2 32.5 8.3 64 63 A V T 3 S+ 0 0 10 -2,-0.4 11,-0.2 1,-0.3 -1,-0.1 0.743 83.3 66.9 -64.0 -23.8 22.0 32.3 8.7 65 64 A L T 3 S+ 0 0 127 10,-0.1 2,-0.3 3,-0.0 -1,-0.3 0.630 82.5 94.7 -69.3 -17.4 22.5 35.1 6.1 66 65 A D S X S- 0 0 83 -3,-1.8 3,-0.8 1,-0.1 6,-0.2 -0.616 75.7-139.9 -77.9 135.7 20.8 37.5 8.5 67 66 A S T 3 S+ 0 0 109 -2,-0.3 -1,-0.1 1,-0.2 6,-0.1 0.680 102.7 62.4 -69.8 -22.6 23.3 39.5 10.7 68 67 A G T 3 S+ 0 0 64 -5,-0.1 -1,-0.2 4,-0.1 2,-0.1 0.729 83.4 102.6 -70.6 -27.0 20.9 39.0 13.7 69 68 A D S X S- 0 0 30 -3,-0.8 3,-1.4 -6,-0.3 4,-0.4 -0.358 76.1-131.7 -64.2 136.4 21.4 35.2 13.5 70 69 A S T 3 S+ 0 0 65 1,-0.2 3,-0.3 2,-0.1 4,-0.2 0.734 106.0 46.4 -50.3 -32.9 23.8 33.5 16.0 71 70 A A T 3> S+ 0 0 0 1,-0.2 4,-2.6 2,-0.1 3,-0.3 0.454 83.2 98.2 -93.2 -3.8 25.6 31.6 13.3 72 71 A H H <> S+ 0 0 33 -3,-1.4 4,-1.3 1,-0.3 -1,-0.2 0.867 82.5 48.6 -63.6 -37.9 26.1 34.5 10.9 73 72 A L H > S+ 0 0 130 -4,-0.4 4,-0.9 -3,-0.3 -1,-0.3 0.852 111.6 50.7 -67.7 -34.2 29.7 35.2 12.0 74 73 A T H > S+ 0 0 18 -3,-0.3 4,-2.4 -4,-0.2 3,-0.5 0.890 104.8 58.0 -70.7 -35.6 30.6 31.6 11.7 75 74 A L H < S+ 0 0 17 -4,-2.6 -1,-0.2 1,-0.2 6,-0.2 0.844 101.2 55.8 -60.1 -36.5 29.1 31.5 8.2 76 75 A M H < S+ 0 0 118 -4,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.816 111.5 43.3 -70.4 -27.7 31.5 34.3 7.1 77 76 A K H < S+ 0 0 112 -4,-0.9 -2,-0.2 -3,-0.5 -1,-0.2 0.865 131.6 24.7 -76.2 -39.6 34.4 32.2 8.2 78 77 A R >< + 0 0 54 -4,-2.4 3,-1.6 1,-0.1 -1,-0.2 -0.739 67.7 167.1-127.9 77.4 32.9 29.0 6.6 79 78 A P G > S+ 0 0 95 0, 0.0 3,-0.6 0, 0.0 -1,-0.1 0.615 72.6 68.0 -74.6 -9.3 30.6 30.0 3.8 80 79 A E G 3 S+ 0 0 117 1,-0.2 3,-0.2 2,-0.1 4,-0.2 0.439 92.0 65.5 -82.1 -0.0 30.4 26.5 2.5 81 80 A L G <> + 0 0 1 -3,-1.6 4,-2.9 -6,-0.2 5,-0.3 0.084 56.0 120.8-113.1 22.1 28.5 25.4 5.7 82 81 A G H <> S+ 0 0 20 -3,-0.6 4,-1.4 1,-0.2 -1,-0.1 0.899 80.8 45.4 -53.1 -47.5 25.2 27.3 5.5 83 82 A V H > S+ 0 0 86 -3,-0.2 4,-2.4 2,-0.2 3,-0.4 0.962 114.8 49.0 -62.6 -49.8 23.0 24.2 5.5 84 83 A T H > S+ 0 0 7 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.927 109.8 50.0 -54.1 -49.6 25.1 22.6 8.4 85 84 A L H < S+ 0 0 0 -4,-2.9 4,-0.5 1,-0.2 -1,-0.2 0.790 109.7 52.6 -66.7 -25.8 24.9 25.8 10.5 86 85 A T H >< S+ 0 0 3 -4,-1.4 3,-1.5 -3,-0.4 -1,-0.2 0.946 107.9 50.6 -71.1 -47.9 21.2 25.9 10.0 87 86 A K H >< S+ 0 0 5 -4,-2.4 3,-2.2 1,-0.3 -2,-0.2 0.902 103.4 59.9 -55.1 -43.4 20.8 22.3 11.2 88 87 A L G >< S+ 0 0 0 -4,-2.3 3,-1.6 1,-0.3 -1,-0.3 0.649 83.8 78.5 -66.7 -15.4 22.8 23.0 14.3 89 88 A H G X S+ 0 0 11 -3,-1.5 3,-2.5 -4,-0.5 4,-0.3 0.614 70.4 86.6 -60.9 -12.8 20.3 25.6 15.4 90 89 A C G X S+ 0 0 0 -3,-2.2 3,-1.2 1,-0.3 -1,-0.3 0.865 82.4 58.7 -54.9 -34.6 18.3 22.5 16.4 91 90 A W G < S+ 0 0 0 -3,-1.6 52,-2.7 1,-0.2 56,-0.3 0.552 93.5 67.5 -68.2 -10.4 20.3 22.9 19.7 92 91 A S G < + 0 0 35 -3,-2.5 2,-2.5 50,-0.2 -1,-0.2 0.494 67.7 100.9 -87.9 -6.0 18.8 26.4 20.1 93 92 A L X + 0 0 9 -3,-1.2 3,-1.8 -4,-0.3 -1,-0.1 -0.395 42.1 159.6 -79.9 67.2 15.3 25.1 20.7 94 93 A T T 3 + 0 0 79 -2,-2.5 -1,-0.2 1,-0.3 -2,-0.0 0.605 58.8 78.5 -76.4 -10.2 15.7 25.6 24.5 95 94 A Q T 3 S+ 0 0 110 -3,-0.2 2,-0.4 2,-0.0 -1,-0.3 0.638 92.0 65.5 -60.7 -17.4 11.9 25.6 25.0 96 95 A Y < - 0 0 9 -3,-1.8 -91,-0.2 1,-0.1 3,-0.1 -0.904 69.7-155.8-107.6 139.6 12.3 21.7 24.7 97 96 A S S S+ 0 0 52 -93,-2.0 2,-0.3 -2,-0.4 -92,-0.2 0.699 82.1 8.9 -84.8 -20.8 14.2 19.5 27.3 98 97 A K E -b 5 0A 47 -94,-1.0 -92,-1.1 43,-0.2 2,-0.3 -0.952 69.6-177.8-159.3 141.6 15.0 16.7 24.8 99 98 A C E -bD 6 140A 0 41,-2.7 41,-2.9 -2,-0.3 2,-0.6 -0.975 23.4-137.6-142.4 150.9 14.6 16.3 21.1 100 99 A V E -bD 7 139A 0 -94,-2.2 -92,-2.7 -2,-0.3 2,-0.4 -0.975 23.1-149.7-106.5 116.4 15.1 13.7 18.3 101 100 A F E -bD 8 138A 0 37,-2.9 37,-1.9 -2,-0.6 2,-0.4 -0.717 17.8-178.0 -79.5 137.5 16.6 15.3 15.2 102 101 A M E - D 0 137A 0 -94,-2.9 -92,-0.3 -2,-0.4 35,-0.2 -0.991 25.7-121.9-137.0 128.6 15.6 13.6 12.0 103 102 A D > - 0 0 33 33,-2.6 3,-1.3 -2,-0.4 -92,-0.1 -0.259 28.1-116.6 -58.7 152.7 16.7 14.4 8.4 104 103 A A T 3 S+ 0 0 5 -94,-0.4 -81,-0.3 1,-0.3 -82,-0.2 0.640 113.4 67.5 -71.0 -13.2 13.9 15.3 5.9 105 104 A D T 3 S+ 0 0 6 -83,-0.1 105,-3.0 31,-0.1 2,-0.3 0.042 83.1 98.4 -93.3 25.0 15.0 12.2 3.9 106 105 A T E < -G 209 0B 0 -3,-1.3 2,-0.3 103,-0.2 103,-0.2 -0.768 53.9-161.8-105.3 157.2 13.8 9.8 6.7 107 106 A L E -G 208 0B 0 101,-1.9 101,-2.2 -2,-0.3 2,-0.4 -0.988 15.8-133.7-138.4 127.5 10.5 7.9 6.8 108 107 A V E +G 207 0B 1 -2,-0.3 99,-0.2 -85,-0.3 3,-0.1 -0.681 22.3 176.2 -90.3 133.7 9.1 6.4 10.0 109 108 A L + 0 0 33 97,-3.0 2,-0.3 -2,-0.4 98,-0.2 0.570 68.1 12.8-108.5 -16.5 7.7 2.9 9.9 110 109 A A S S- 0 0 29 96,-1.1 2,-0.3 94,-0.0 -1,-0.2 -0.950 95.4 -72.1-151.8 167.8 6.8 2.4 13.6 111 110 A N + 0 0 67 -2,-0.3 3,-0.2 1,-0.1 -80,-0.1 -0.540 42.4 178.3 -66.9 127.6 6.3 4.4 16.8 112 111 A I > + 0 0 1 -2,-0.3 3,-1.4 1,-0.1 4,-0.2 -0.118 38.5 123.4-124.1 33.7 9.8 5.5 18.0 113 112 A D G > + 0 0 15 1,-0.2 3,-1.5 2,-0.2 -1,-0.1 0.718 61.7 76.2 -66.3 -21.9 8.7 7.5 21.1 114 113 A D G > S+ 0 0 65 1,-0.3 3,-1.7 -3,-0.2 -1,-0.2 0.646 74.1 80.8 -64.8 -13.9 11.0 5.3 23.2 115 114 A L G X S+ 0 0 1 -3,-1.4 3,-2.3 1,-0.3 -1,-0.3 0.829 78.2 69.1 -56.6 -32.6 14.0 7.2 21.8 116 115 A F G < S+ 0 0 7 -3,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.601 84.0 70.5 -67.5 -7.2 13.1 9.9 24.4 117 116 A D G < S+ 0 0 131 -3,-1.7 -1,-0.3 -4,-0.1 -2,-0.2 0.668 90.7 83.5 -75.0 -17.5 14.4 7.3 27.0 118 117 A R S < S- 0 0 63 -3,-2.3 2,-0.3 -4,-0.2 64,-0.1 -0.378 73.0-133.3 -86.8 165.7 17.9 8.0 25.6 119 118 A E - 0 0 109 -2,-0.1 20,-0.2 2,-0.1 2,-0.1 -0.822 43.1 -46.1-116.1 155.9 20.3 10.8 26.4 120 119 A E S S+ 0 0 46 -2,-0.3 20,-0.2 1,-0.3 62,-0.1 -0.376 118.8 22.8 -52.9 131.8 22.5 13.1 24.4 121 120 A L S S+ 0 0 8 18,-0.5 2,-0.5 61,-0.1 -1,-0.3 0.385 75.5 150.5-107.5 118.6 24.1 12.1 22.1 122 121 A S E +E 139 0A 1 17,-1.4 17,-2.9 61,-0.1 2,-0.3 -0.934 18.1 146.3-110.0 124.2 22.4 8.9 21.1 123 122 A A E -Ef 138 183A 0 59,-2.0 61,-1.6 -2,-0.5 15,-0.2 -0.971 44.3-104.2-152.4 159.9 22.7 7.9 17.4 124 123 A A E - 0 0 0 13,-0.6 10,-2.5 10,-0.4 13,-0.1 -0.540 46.2 -92.5 -84.6 153.7 22.9 4.9 15.2 125 124 A P E -E 133 0A 35 0, 0.0 8,-0.3 0, 0.0 6,-0.1 -0.421 36.5-124.0 -62.4 139.4 26.2 3.7 13.5 126 125 A D - 0 0 27 6,-2.6 3,-0.5 3,-0.5 6,-0.3 -0.686 25.9-120.2 -80.3 128.9 26.9 4.9 10.0 127 126 A P S S+ 0 0 61 0, 0.0 2,-0.7 0, 0.0 -1,-0.1 -0.378 96.9 28.1 -62.1 149.9 27.5 2.2 7.5 128 127 A G S S+ 0 0 73 1,-0.0 -2,-0.0 -2,-0.0 0, 0.0 -0.112 134.0 33.5 91.0 -44.5 30.9 2.3 5.8 129 128 A W S > S+ 0 0 176 -2,-0.7 3,-2.4 -3,-0.5 -3,-0.5 -0.634 74.2 175.7-131.3 81.4 32.6 4.0 8.8 130 129 A P T 3 S+ 0 0 79 0, 0.0 4,-0.1 0, 0.0 -4,-0.0 0.533 70.5 70.0 -75.2 -3.8 30.6 2.4 11.7 131 130 A D T 3 S+ 0 0 112 -6,-0.1 2,-0.4 2,-0.1 45,-0.3 0.380 94.8 69.4 -84.0 -1.0 32.7 4.1 14.5 132 131 A C S < S- 0 0 21 -3,-2.4 -6,-2.6 -6,-0.3 2,-0.3 -0.926 88.3-128.3-103.7 144.5 31.1 7.3 13.3 133 132 A F E - E 0 125A 0 -2,-0.4 2,-0.4 -8,-0.3 36,-0.1 -0.650 22.5-113.8 -82.0 146.6 27.4 7.8 14.0 134 133 A N E > - 0 0 4 -10,-2.5 3,-0.6 -2,-0.3 -10,-0.4 -0.680 19.6-147.8 -77.9 134.1 25.1 8.7 11.2 135 134 A S E 3 S+ 0 0 4 -2,-0.4 3,-0.2 1,-0.2 -1,-0.1 0.259 77.8 91.2 -92.6 13.7 23.7 12.3 11.9 136 135 A G E 3 S+ 0 0 0 1,-0.3 -33,-2.6 -12,-0.1 2,-0.3 0.664 98.2 24.3 -79.0 -19.8 20.3 11.7 10.2 137 136 A V E < S+D 102 0A 0 -3,-0.6 -13,-0.6 -35,-0.2 2,-0.3 -0.928 77.9 150.3-145.6 116.0 18.7 10.5 13.5 138 137 A F E -DE 101 123A 0 -37,-1.9 -37,-2.9 -2,-0.3 2,-0.5 -0.992 39.1-131.5-151.5 145.5 20.0 11.6 16.9 139 138 A V E +DE 100 122A 0 -17,-2.9 -17,-1.4 -2,-0.3 -18,-0.5 -0.837 40.5 164.9 -94.7 127.2 18.7 12.2 20.4 140 139 A Y E -D 99 0A 0 -41,-2.9 -41,-2.7 -2,-0.5 -2,-0.0 -0.932 38.4-124.5-141.7 164.2 19.9 15.5 21.9 141 140 A Q - 0 0 113 -2,-0.3 -43,-0.2 -43,-0.2 5,-0.1 -0.961 36.5-121.0-109.9 113.0 19.4 18.1 24.7 142 141 A P + 0 0 12 0, 0.0 2,-0.3 0, 0.0 -50,-0.2 -0.227 45.3 158.8 -52.4 139.1 18.8 21.6 23.5 143 142 A S > - 0 0 24 -52,-2.7 4,-2.2 1,-0.1 -50,-0.1 -0.848 44.9-147.5-169.6 130.3 21.4 24.1 24.9 144 143 A V H > S+ 0 0 82 -2,-0.3 4,-2.6 2,-0.2 5,-0.2 0.882 105.5 52.6 -64.7 -42.9 22.8 27.5 23.9 145 144 A E H > S+ 0 0 112 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.924 111.1 44.9 -58.4 -51.1 26.2 26.5 25.4 146 145 A T H > S+ 0 0 20 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.941 113.0 52.4 -60.6 -47.5 26.4 23.3 23.3 147 146 A Y H X S+ 0 0 4 -4,-2.2 4,-2.1 -56,-0.3 -2,-0.2 0.907 110.4 47.0 -52.4 -47.0 25.2 25.2 20.3 148 147 A N H X S+ 0 0 76 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.838 110.6 52.4 -68.4 -35.3 28.0 27.8 20.8 149 148 A Q H X S+ 0 0 89 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.936 110.2 49.4 -61.1 -45.7 30.6 25.1 21.3 150 149 A L H X S+ 0 0 0 -4,-2.9 4,-2.5 1,-0.2 -2,-0.2 0.885 109.2 51.7 -61.4 -41.4 29.4 23.5 18.0 151 150 A L H X S+ 0 0 10 -4,-2.1 4,-2.0 -5,-0.2 -1,-0.2 0.932 109.6 50.4 -60.9 -44.4 29.7 26.9 16.2 152 151 A H H X S+ 0 0 111 -4,-2.0 4,-3.1 2,-0.2 -2,-0.2 0.907 109.8 48.6 -61.5 -45.2 33.2 27.3 17.5 153 152 A L H X>S+ 0 0 21 -4,-2.3 4,-3.2 1,-0.2 5,-0.7 0.957 111.1 51.0 -59.1 -50.1 34.3 23.9 16.3 154 153 A A H X5S+ 0 0 0 -4,-2.5 4,-1.1 1,-0.2 -1,-0.2 0.858 112.7 48.2 -53.7 -36.9 32.7 24.6 12.9 155 154 A S H <5S+ 0 0 24 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.956 118.0 38.2 -70.0 -49.7 34.7 27.9 12.9 156 155 A E H <5S+ 0 0 111 -4,-3.1 -2,-0.2 1,-0.1 -3,-0.2 0.832 136.0 12.2 -68.6 -39.5 38.1 26.3 13.9 157 156 A Q H <5S- 0 0 126 -4,-3.2 -3,-0.2 1,-0.3 -2,-0.1 0.522 81.4-147.4-121.1 -12.0 38.0 23.1 11.9 158 157 A G << - 0 0 5 -4,-1.1 2,-0.4 -5,-0.7 -1,-0.3 -0.473 52.6 -58.1 64.8-149.5 35.2 23.2 9.4 159 158 A S > - 0 0 18 -2,-0.1 3,-1.2 7,-0.1 5,-0.1 -0.999 35.6-135.3-125.4 134.9 33.8 19.7 8.9 160 159 A F T 3 S+ 0 0 141 -2,-0.4 -1,-0.1 1,-0.2 -2,-0.0 0.662 109.4 33.7 -62.1 -14.4 35.9 16.8 7.8 161 160 A D T 3 S- 0 0 82 2,-0.3 -1,-0.2 -3,-0.0 3,-0.1 0.273 109.5-112.9-122.3 10.9 33.1 15.8 5.4 162 161 A G S < S+ 0 0 50 -3,-1.2 -78,-0.2 1,-0.3 2,-0.2 0.457 92.7 70.1 74.0 -1.2 31.5 19.2 4.3 163 162 A G S > S- 0 0 19 -80,-0.1 4,-0.6 -79,-0.1 -2,-0.3 -0.535 102.4 -82.5-126.0-161.7 28.2 18.5 6.2 164 163 A D H > S+ 0 0 26 -2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.697 108.0 75.5 -84.8 -21.1 27.2 18.1 9.8 165 164 A Q H > S+ 0 0 29 2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.904 95.1 48.7 -62.6 -43.9 28.2 14.5 10.5 166 165 A G H > S+ 0 0 0 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.956 114.3 44.9 -60.6 -50.6 32.0 15.2 10.8 167 166 A I H X S+ 0 0 1 -4,-0.6 4,-2.4 2,-0.2 5,-0.2 0.892 114.5 49.2 -63.3 -39.8 31.5 18.1 13.1 168 167 A L H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 -1,-0.2 0.907 113.7 46.1 -67.7 -43.1 28.9 16.2 15.2 169 168 A N H < S+ 0 0 15 -4,-3.1 6,-0.2 2,-0.2 -2,-0.2 0.879 112.4 51.4 -65.7 -38.0 31.2 13.1 15.4 170 169 A T H >< S+ 0 0 46 -4,-2.8 3,-0.7 -5,-0.2 -2,-0.2 0.913 116.7 39.3 -63.4 -45.1 34.3 15.4 16.3 171 170 A F H 3< S+ 0 0 66 -4,-2.4 2,-0.7 1,-0.3 3,-0.2 0.923 122.2 42.9 -69.5 -45.5 32.4 17.1 19.1 172 171 A F T >< S+ 0 0 27 -4,-2.7 3,-1.4 -5,-0.2 -1,-0.3 -0.338 77.9 146.0 -97.0 55.5 30.7 13.9 20.2 173 172 A S T < + 0 0 93 -2,-0.7 3,-0.4 -3,-0.7 -1,-0.2 0.547 57.3 65.2 -73.6 -12.5 34.0 11.9 19.8 174 173 A S T >> S+ 0 0 65 -3,-0.2 4,-1.5 1,-0.2 3,-0.7 0.451 72.8 96.7 -90.4 -3.8 33.4 9.5 22.7 175 174 A W T <4 S+ 0 0 10 -3,-1.4 3,-0.3 1,-0.2 -1,-0.2 0.877 78.7 53.6 -53.0 -44.5 30.4 7.8 21.1 176 175 A A T 34 S+ 0 0 33 -3,-0.4 -1,-0.2 -45,-0.3 -2,-0.1 0.784 122.7 25.9 -65.4 -28.8 32.3 4.9 19.6 177 176 A T T <4 S+ 0 0 126 -3,-0.7 2,-0.4 -4,-0.2 -1,-0.2 0.379 108.8 71.8-119.0 -1.9 33.9 3.8 22.9 178 177 A T S < S- 0 0 78 -4,-1.5 4,-0.2 -3,-0.3 -1,-0.1 -0.979 96.7 -11.9-126.2 131.0 31.6 5.0 25.8 179 178 A D > - 0 0 52 -2,-0.4 3,-1.9 1,-0.1 -1,-0.2 0.944 52.9-144.1 54.6 93.7 28.2 3.8 26.9 180 179 A I G > S+ 0 0 131 1,-0.3 3,-2.1 2,-0.2 -1,-0.1 0.683 93.5 72.8 -56.9 -25.9 26.5 1.3 24.6 181 180 A R G 3 S+ 0 0 156 1,-0.3 -1,-0.3 -59,-0.0 -2,-0.1 0.788 88.1 64.0 -66.5 -23.5 23.0 2.7 25.3 182 181 A K G < S+ 0 0 54 -3,-1.9 -59,-2.0 -4,-0.2 2,-0.9 0.430 83.4 90.7 -75.2 0.9 24.0 5.8 23.2 183 182 A H B < S-f 123 0A 42 -3,-2.1 -59,-0.2 -61,-0.2 -1,-0.1 -0.828 74.5-149.6 -96.9 96.9 24.2 3.4 20.3 184 183 A L - 0 0 2 -61,-1.6 -2,-0.1 -2,-0.9 -61,-0.0 -0.428 29.8 -99.5 -60.1 136.7 20.8 3.5 18.7 185 184 A P > - 0 0 52 0, 0.0 3,-2.7 0, 0.0 4,-0.1 -0.374 30.9-116.8 -53.4 141.1 19.9 0.2 17.0 186 185 A F G > S+ 0 0 81 1,-0.3 3,-1.9 2,-0.2 21,-0.1 0.747 112.1 71.5 -56.7 -28.5 20.5 0.4 13.3 187 186 A I G 3 S+ 0 0 38 1,-0.3 20,-2.2 2,-0.1 19,-2.1 0.682 88.6 62.8 -63.7 -17.5 16.8 -0.2 12.8 188 187 A Y G < S+ 0 0 12 -3,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.383 122.4 19.3 -85.3 2.7 16.2 3.4 14.1 189 188 A N S < S+ 0 0 4 -3,-1.9 2,-0.8 18,-0.2 -1,-0.3 -0.315 82.4 180.0-166.4 67.7 18.2 4.8 11.1 190 189 A L E -h 208 0B 17 17,-2.7 19,-2.5 -3,-0.5 2,-0.2 -0.668 21.9-138.8 -85.9 107.3 18.3 2.1 8.5 191 190 A S E -h 209 0B 10 -2,-0.8 19,-0.2 17,-0.2 -2,-0.0 -0.485 7.2-140.2 -64.2 127.4 20.2 3.2 5.3 192 191 A S 0 0 51 17,-2.1 41,-0.3 -2,-0.2 -1,-0.2 0.585 360.0 360.0 -62.6 -12.9 18.5 2.1 2.1 193 192 A I 0 0 121 16,-0.3 -1,-0.2 39,-0.1 17,-0.1 0.882 360.0 360.0 -73.8 360.0 22.2 1.5 0.9 194 ! 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 0.0 195 198 A L > 0 0 167 0, 0.0 4,-1.8 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -51.6 21.5 -8.0 2.1 196 199 A P H > + 0 0 109 0, 0.0 4,-1.2 0, 0.0 5,-0.1 0.814 360.0 56.9 -63.4 -27.6 21.2 -11.4 3.9 197 200 A A H > S+ 0 0 61 2,-0.2 4,-2.9 1,-0.2 5,-0.4 0.854 103.8 53.0 -66.7 -34.9 21.1 -9.4 7.2 198 201 A F H >>S+ 0 0 62 3,-0.2 4,-2.3 2,-0.2 5,-0.5 0.910 103.3 55.7 -66.7 -42.9 18.1 -7.4 5.8 199 202 A K H <5S+ 0 0 195 -4,-1.8 -1,-0.2 1,-0.2 4,-0.2 0.900 118.6 35.6 -51.4 -40.7 16.2 -10.7 5.1 200 203 A V H <5S+ 0 0 105 -4,-1.2 -2,-0.2 -5,-0.1 -1,-0.2 0.858 138.8 14.2 -83.5 -36.3 16.7 -11.6 8.8 201 204 A F H ><5S+ 0 0 130 -4,-2.9 3,-1.5 2,-0.1 -3,-0.2 0.619 100.1 87.1-117.6 -22.0 16.4 -8.1 10.4 202 205 A G G ><5S+ 0 0 5 -4,-2.3 3,-2.0 -5,-0.4 -3,-0.1 0.785 80.2 66.5 -54.6 -33.9 14.9 -5.7 7.8 203 206 A A G 3 > - 0 0 15 -2,-0.6 3,-2.0 1,-0.1 4,-0.5 -0.613 33.4-104.9 -96.4 158.1 15.9 11.4 -3.0 216 219 A P G >4 S+ 0 0 1 0, 0.0 3,-0.8 0, 0.0 -1,-0.1 0.799 120.1 52.3 -55.8 -36.0 12.4 9.9 -3.1 217 220 A W G 34 S+ 0 0 19 1,-0.2 4,-0.1 -202,-0.1 -3,-0.0 0.502 95.5 69.4 -77.3 -10.2 10.8 13.1 -4.5 218 221 A N G <4 S+ 0 0 91 -3,-2.0 -1,-0.2 2,-0.1 2,-0.1 0.663 86.2 92.4 -74.9 -17.8 13.4 13.2 -7.3 219 222 A Y S << S- 0 0 73 -3,-0.8 2,-0.6 -4,-0.5 11,-0.1 -0.446 82.9-121.4 -77.0 152.1 11.5 10.1 -8.7 220 223 A T - 0 0 94 9,-0.3 9,-2.1 -2,-0.1 2,-0.4 -0.852 29.8-151.6 -87.5 117.4 8.7 10.3 -11.2 221 224 A Y E -I 228 0C 50 -2,-0.6 7,-0.2 7,-0.2 -4,-0.0 -0.792 4.7-157.6 -93.4 136.9 5.7 8.6 -9.6 222 225 A D E >>> -I 227 0C 39 5,-2.4 5,-1.4 -2,-0.4 4,-1.1 -0.951 8.4-166.7-117.1 106.2 3.1 7.0 -11.9 223 226 A P T 345S+ 0 0 83 0, 0.0 -1,-0.1 0, 0.0 5,-0.1 0.758 87.8 66.7 -59.4 -29.1 -0.4 6.6 -10.4 224 227 A K T 345S+ 0 0 181 1,-0.2 -2,-0.0 3,-0.1 0, 0.0 0.891 119.3 21.4 -59.5 -40.6 -1.3 4.2 -13.2 225 228 A T T <45S- 0 0 84 -3,-0.7 -1,-0.2 2,-0.3 3,-0.1 0.429 101.5-129.5-104.2 -4.6 1.2 1.7 -11.9 226 229 A K T <5S+ 0 0 130 -4,-1.1 2,-0.3 1,-0.2 -2,-0.1 0.850 78.3 77.6 49.8 40.2 1.3 3.0 -8.3 227 230 A S E - 0 0 30 -41,-0.3 3,-1.1 1,-0.2 4,-0.4 -0.789 360.0-172.8 -84.1 96.5 14.1 -3.1 -1.4 234 243 A P T 3> + 0 0 77 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.627 65.5 86.3 -77.1 -16.5 11.7 -0.9 -3.4 235 244 A E H 3> S+ 0 0 96 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.809 86.5 55.0 -44.5 -39.3 8.8 -1.1 -0.8 236 245 A F H <> S+ 0 0 23 -3,-1.1 4,-1.7 2,-0.2 -1,-0.2 0.943 108.7 45.3 -69.2 -46.4 10.4 1.8 1.1 237 246 A L H > S+ 0 0 25 -4,-0.4 4,-1.8 1,-0.2 -2,-0.2 0.925 114.5 49.8 -61.0 -41.9 10.4 4.1 -1.8 238 247 A I H X S+ 0 0 71 -4,-2.5 4,-1.2 1,-0.2 -2,-0.2 0.885 109.1 52.2 -63.7 -38.9 6.8 3.0 -2.7 239 248 A L H X S+ 0 0 62 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.810 105.2 56.8 -65.2 -30.3 5.7 3.6 1.0 240 249 A W H X S+ 0 0 0 -4,-1.7 4,-2.2 1,-0.2 -2,-0.2 0.958 110.8 41.8 -65.3 -51.0 7.2 7.1 0.7 241 250 A W H X S+ 0 0 26 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.657 109.6 59.4 -70.0 -21.5 5.0 8.0 -2.2 242 251 A N H X S+ 0 0 77 -4,-1.2 4,-2.7 2,-0.2 5,-0.4 0.946 109.5 43.1 -70.0 -47.7 2.0 6.2 -0.6 243 252 A I H X>S+ 0 0 9 -4,-2.3 4,-1.9 3,-0.2 5,-1.8 0.913 115.0 51.0 -61.8 -40.0 2.2 8.6 2.3 244 253 A F H X>S+ 0 0 28 -4,-2.2 5,-2.8 3,-0.2 4,-0.7 0.982 117.6 36.3 -62.6 -57.4 2.8 11.5 -0.0 245 254 A T H <5S+ 0 0 40 -4,-2.2 -1,-0.2 3,-0.2 -2,-0.2 0.810 129.6 33.7 -62.8 -34.1 -0.2 10.7 -2.3 246 255 A T H <5S+ 0 0 74 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.2 0.925 131.1 20.5 -91.6 -52.6 -2.5 9.5 0.5 247 256 A N H <5S+ 0 0 42 -4,-1.9 -3,-0.2 -5,-0.4 -2,-0.1 0.789 129.2 35.3 -92.8 -33.7 -1.7 11.5 3.7 248 257 A V T ><