==== 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-AUG-03 1Q6Y . COMPND 2 MOLECULE: HYPOTHETICAL PROTEIN YFDW; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR A.GOGOS,J.GORMAN,L.SHAPIRO,S.K.BURLEY,NEW YORK SGX RESEARCH . 417 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21063.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 282 67.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 26 6.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 17 4.1 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 . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 24 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 61 14.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 128 30.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.9 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 4 0 2 3 3 0 0 1 1 3 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 4 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 PARALLEL BRIDGES PER LADDER . 0 0 1 0 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 ANTIPARALLEL BRIDGES PER LADDER . 1 1 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 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 3 A L 0 0 157 0, 0.0 2,-0.3 0, 0.0 378,-0.1 0.000 360.0 360.0 360.0 -54.0 63.8 18.6 2.9 2 4 A S - 0 0 69 376,-0.4 28,-0.0 4,-0.0 3,-0.0 -0.968 360.0-155.7-141.2 158.1 60.0 18.2 3.1 3 5 A T > - 0 0 46 -2,-0.3 3,-1.2 27,-0.1 27,-0.1 -0.901 33.0-107.8-130.3 159.4 57.6 15.3 3.5 4 6 A P T 3 S+ 0 0 75 0, 0.0 26,-0.2 0, 0.0 -1,-0.1 0.855 115.0 29.4 -54.8 -38.0 54.0 14.9 2.4 5 7 A L T > S+ 0 0 15 24,-2.9 3,-2.6 21,-0.1 27,-0.2 0.079 76.7 149.7-115.2 17.7 52.5 15.2 5.9 6 8 A Q T < S+ 0 0 116 -3,-1.2 25,-0.2 23,-0.3 3,-0.1 -0.378 75.5 23.4 -52.3 135.5 55.0 17.4 7.8 7 9 A G T 3 S+ 0 0 69 23,-0.5 2,-0.3 1,-0.3 -1,-0.3 0.219 91.1 128.0 90.5 -15.1 53.0 19.2 10.4 8 10 A I < - 0 0 24 -3,-2.6 24,-2.9 18,-0.1 2,-0.6 -0.605 47.8-151.1 -78.4 131.8 50.2 16.7 10.5 9 11 A K E -a 32 0A 58 -2,-0.3 82,-2.7 22,-0.2 83,-1.7 -0.930 14.0-169.3-108.7 122.0 49.4 15.5 14.0 10 12 A V E -ab 33 92A 1 22,-3.0 24,-3.0 -2,-0.6 2,-0.6 -0.909 17.3-149.9-118.2 134.2 48.1 12.0 14.4 11 13 A L E -ab 34 93A 4 81,-3.1 83,-3.0 -2,-0.4 2,-0.9 -0.886 13.0-159.5-101.9 115.7 46.5 10.2 17.4 12 14 A D E +ab 35 94A 0 22,-2.9 24,-2.5 -2,-0.6 2,-1.0 -0.767 22.0 164.6-101.5 89.6 47.2 6.4 17.2 13 15 A F E + b 0 95A 8 81,-2.2 83,-1.0 -2,-0.9 2,-0.3 -0.576 41.1 115.4-103.3 61.3 44.6 4.8 19.4 14 16 A T - 0 0 4 -2,-1.0 2,-0.3 81,-0.2 -2,-0.1 -0.791 44.9-160.9-138.6 165.2 45.2 1.4 18.0 15 17 A G > + 0 0 6 -2,-0.3 4,-0.5 81,-0.1 2,-0.3 -0.979 55.7 8.3-143.3 163.7 46.3 -2.1 18.6 16 18 A V T 4 S- 0 0 33 -2,-0.3 -2,-0.1 1,-0.2 27,-0.0 -0.470 104.5 -50.6 67.8-127.2 47.4 -5.2 16.8 17 19 A Q T > S+ 0 0 36 -2,-0.3 4,-2.2 3,-0.1 5,-0.2 0.789 118.0 61.0-119.6 -44.1 48.1 -4.9 13.1 18 20 A S H > S+ 0 0 8 -3,-0.2 4,-1.4 2,-0.2 3,-0.1 0.997 115.7 33.3 -57.3 -61.2 45.2 -3.2 11.0 19 21 A G H X S+ 0 0 0 -4,-0.5 4,-1.8 1,-0.2 3,-0.4 0.936 119.3 50.8 -63.0 -53.6 45.3 0.1 12.8 20 22 A P H > S+ 0 0 0 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.846 105.2 57.4 -57.2 -33.5 49.0 0.2 13.6 21 23 A S H X S+ 0 0 5 -4,-2.2 4,-1.5 1,-0.2 -2,-0.2 0.894 106.7 49.2 -62.7 -41.3 50.0 -0.5 9.9 22 24 A C H X S+ 0 0 0 -4,-1.4 4,-1.5 -3,-0.4 -1,-0.2 0.940 114.0 44.4 -61.5 -49.4 48.0 2.6 8.8 23 25 A T H X S+ 0 0 0 -4,-1.8 4,-2.0 1,-0.2 -2,-0.2 0.784 104.3 60.9 -71.8 -31.7 49.6 4.9 11.3 24 26 A Q H X S+ 0 0 11 -4,-2.3 4,-2.5 39,-0.3 -1,-0.2 0.911 106.4 49.6 -56.6 -45.6 53.1 3.7 10.8 25 27 A M H X S+ 0 0 5 -4,-1.5 4,-1.3 2,-0.2 -2,-0.2 0.893 105.1 56.5 -61.4 -38.9 52.8 4.8 7.2 26 28 A L H <>S+ 0 0 0 -4,-1.5 5,-2.5 2,-0.2 3,-0.3 0.908 108.6 47.5 -52.7 -43.3 51.5 8.2 8.3 27 29 A A H ><5S+ 0 0 9 -4,-2.0 3,-1.9 1,-0.2 -2,-0.2 0.917 108.9 54.6 -64.2 -44.1 54.7 8.6 10.4 28 30 A W H 3<5S+ 0 0 11 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.742 104.3 54.7 -63.5 -23.8 56.8 7.5 7.4 29 31 A F T 3<5S- 0 0 13 -4,-1.3 -24,-2.9 -3,-0.3 -1,-0.3 0.309 132.9 -91.6 -90.2 -0.2 55.1 10.3 5.3 30 32 A G T < 5S+ 0 0 27 -3,-1.9 -23,-0.5 1,-0.3 -3,-0.2 0.303 79.3 138.9 113.9 -1.5 56.2 12.8 7.9 31 33 A A < - 0 0 9 -5,-2.5 2,-0.8 -25,-0.2 -1,-0.3 -0.233 57.7-118.3 -70.0 155.6 53.3 13.0 10.4 32 34 A D E -a 9 0A 49 -24,-2.9 -22,-3.0 -27,-0.2 2,-0.6 -0.899 35.3-163.9 -92.0 115.0 53.9 13.1 14.1 33 35 A V E -a 10 0A 0 -2,-0.8 35,-3.1 33,-0.5 2,-0.7 -0.902 8.4-167.7-112.2 117.0 52.2 9.9 15.3 34 36 A I E -ac 11 68A 10 -24,-3.0 -22,-2.9 -2,-0.6 2,-0.4 -0.903 11.3-150.9-104.9 108.9 51.4 9.7 19.0 35 37 A K E -ac 12 69A 0 33,-3.6 35,-2.7 -2,-0.7 2,-0.6 -0.690 6.7-152.0 -84.2 129.8 50.4 6.2 20.0 36 38 A I E + c 0 70A 3 -24,-2.5 2,-0.3 -2,-0.4 35,-0.2 -0.933 23.4 176.0-111.1 115.3 48.1 6.3 23.0 37 39 A E E - c 0 71A 8 33,-2.5 35,-2.9 -2,-0.6 3,-0.1 -0.904 35.7 -99.4-129.2 146.2 48.4 3.1 25.0 38 40 A R >> - 0 0 143 -2,-0.3 4,-1.8 33,-0.2 3,-0.7 -0.449 54.9 -94.0 -67.0 138.4 47.0 1.8 28.2 39 41 A P T 34 S+ 0 0 27 0, 0.0 2,-0.7 0, 0.0 -1,-0.1 -0.169 99.4 4.0 -55.5 133.0 49.3 2.2 31.2 40 42 A G T 34 S+ 0 0 64 1,-0.2 349,-0.1 -3,-0.1 -2,-0.1 -0.097 134.7 39.2 87.9 -30.3 51.6 -0.7 32.1 41 43 A V T <4 S+ 0 0 71 -3,-0.7 -1,-0.2 -2,-0.7 5,-0.1 0.748 78.0 175.8-116.0 -41.8 50.7 -3.1 29.3 42 44 A G < + 0 0 3 -4,-1.8 5,-0.1 -3,-0.1 29,-0.0 -0.185 54.5 5.9 68.3-164.4 50.3 -1.1 26.1 43 45 A D S > S- 0 0 9 1,-0.1 3,-2.3 2,-0.1 4,-0.4 -0.295 70.8-129.0 -51.2 125.1 49.7 -2.6 22.7 44 46 A V G >> S+ 0 0 46 1,-0.3 3,-1.7 2,-0.2 4,-0.6 0.800 104.3 70.6 -48.6 -31.8 49.1 -6.3 23.0 45 47 A T G 34 S+ 0 0 0 1,-0.3 15,-0.9 2,-0.2 3,-0.3 0.739 82.2 72.0 -64.8 -19.8 51.8 -6.8 20.2 46 48 A R G <4 S+ 0 0 4 -3,-2.3 11,-1.6 1,-0.2 -1,-0.3 0.837 110.1 30.6 -61.8 -31.4 54.5 -5.7 22.6 47 49 A H T <4 S+ 0 0 92 -3,-1.7 3,-0.5 -4,-0.4 2,-0.5 0.372 97.5 100.8-111.9 1.7 54.1 -9.0 24.4 48 50 A Q S < S- 0 0 74 -4,-0.6 11,-0.5 -3,-0.3 12,-0.2 -0.794 94.1 -5.0 -96.0 133.5 53.0 -11.4 21.7 49 51 A L S S- 0 0 149 -2,-0.5 9,-0.3 1,-0.2 -1,-0.2 0.860 83.4-173.7 61.4 40.0 55.4 -13.9 20.1 50 52 A R - 0 0 104 -3,-0.5 -1,-0.2 7,-0.1 7,-0.1 -0.318 21.8-173.5 -63.2 139.9 58.4 -12.5 21.9 51 53 A D S S+ 0 0 90 1,-0.3 -1,-0.1 4,-0.1 6,-0.1 0.425 76.6 45.3-106.6 -15.1 61.7 -13.9 20.8 52 54 A I S > S- 0 0 59 3,-0.3 3,-1.2 4,-0.0 -1,-0.3 -0.989 97.1-103.9-129.9 128.5 63.7 -12.1 23.6 53 55 A P T 3 S- 0 0 102 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 -0.126 92.2 -5.0 -46.5 139.6 62.5 -12.0 27.3 54 56 A D T 3 S+ 0 0 142 1,-0.1 2,-0.3 -7,-0.1 3,-0.1 0.275 104.8 103.2 56.2 -0.8 61.0 -8.8 28.5 55 57 A I S < S- 0 0 24 -3,-1.2 -3,-0.3 1,-0.1 -1,-0.1 -0.735 84.4 -76.5-107.3 160.9 61.5 -6.6 25.5 56 58 A D - 0 0 20 -2,-0.3 -9,-0.2 1,-0.1 -10,-0.2 -0.184 54.0-116.5 -49.0 134.8 59.0 -5.5 22.9 57 59 A A >> - 0 0 0 -11,-1.6 4,-2.3 -12,-0.3 3,-1.0 -0.341 18.0-113.1 -72.1 153.7 58.2 -8.2 20.5 58 60 A L H 3> S+ 0 0 54 -9,-0.3 4,-2.4 1,-0.3 5,-0.2 0.804 117.3 67.9 -50.4 -31.4 58.9 -8.0 16.7 59 61 A Y H 34 S+ 0 0 57 -11,-0.5 -1,-0.3 -14,-0.3 4,-0.2 0.913 108.9 35.9 -55.7 -44.8 55.2 -7.9 16.2 60 62 A F H X> S+ 0 0 0 -3,-1.0 3,-1.5 -15,-0.9 4,-1.1 0.931 116.1 52.0 -73.3 -44.4 55.3 -4.5 17.9 61 63 A T H 3< S+ 0 0 0 -4,-2.3 4,-0.3 1,-0.3 -2,-0.2 0.786 108.2 51.6 -72.4 -28.3 58.6 -3.2 16.5 62 64 A M T 3< S+ 0 0 68 -4,-2.4 -1,-0.3 1,-0.2 308,-0.2 0.478 117.2 38.6 -83.7 -9.9 57.6 -4.0 12.9 63 65 A L T <4 S+ 0 0 15 -3,-1.5 -39,-0.3 -4,-0.2 -2,-0.2 0.425 116.2 47.5-116.1 -4.5 54.3 -2.1 13.1 64 66 A N >< + 0 0 0 -4,-1.1 3,-1.2 -3,-0.1 -2,-0.1 0.110 67.7 144.7-131.9 24.1 55.2 0.9 15.2 65 67 A S T 3 S+ 0 0 0 -4,-0.3 321,-0.3 1,-0.2 320,-0.2 -0.286 71.7 16.6 -57.2 143.0 58.4 2.4 13.8 66 68 A N T 3 S+ 0 0 37 319,-2.0 -33,-0.5 1,-0.2 2,-0.3 0.583 97.3 124.5 73.3 14.9 58.7 6.2 14.0 67 69 A K < - 0 0 7 -3,-1.2 2,-0.3 318,-0.3 -1,-0.2 -0.721 55.5-134.1-105.0 158.6 55.9 6.7 16.6 68 70 A R E -c 34 0A 41 -35,-3.1 -33,-3.6 -2,-0.3 2,-0.5 -0.816 22.2-141.9-103.8 148.0 55.9 8.3 20.0 69 71 A S E -c 35 0A 0 -2,-0.3 323,-2.3 -35,-0.2 2,-0.4 -0.954 18.2-179.9-119.2 124.5 54.2 6.5 22.9 70 72 A I E -c 36 0A 0 -35,-2.7 -33,-2.5 -2,-0.5 2,-0.5 -0.986 23.0-138.2-116.1 133.5 52.2 8.0 25.7 71 73 A E E +c 37 0A 61 -2,-0.4 2,-0.3 -35,-0.2 -33,-0.2 -0.813 37.7 159.1 -86.3 126.3 50.7 5.8 28.5 72 74 A L - 0 0 19 -35,-2.9 2,-1.0 -2,-0.5 -2,-0.1 -0.929 38.2-147.7-157.5 117.5 47.1 7.0 29.2 73 75 A N > - 0 0 63 -2,-0.3 3,-1.5 -35,-0.2 6,-0.4 -0.820 15.4-172.2 -85.3 100.0 44.1 5.4 30.8 74 76 A T T 3 S+ 0 0 7 -2,-1.0 -1,-0.1 1,-0.3 -36,-0.0 0.424 78.2 70.8 -79.0 0.2 41.2 7.0 28.9 75 77 A K T 3 S+ 0 0 161 4,-0.0 2,-0.3 5,-0.0 -1,-0.3 0.560 85.9 82.5 -83.9 -7.9 38.7 5.4 31.3 76 78 A T S <> S- 0 0 64 -3,-1.5 4,-2.7 1,-0.1 5,-0.2 -0.706 88.8-121.9 -97.7 149.6 39.9 7.8 34.0 77 79 A A H > S+ 0 0 88 -2,-0.3 4,-1.6 1,-0.2 -1,-0.1 0.866 116.4 48.4 -53.8 -35.4 38.5 11.2 34.3 78 80 A E H > S+ 0 0 65 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.923 108.9 51.4 -72.0 -44.1 42.1 12.5 34.0 79 81 A G H > S+ 0 0 2 -6,-0.4 4,-2.3 1,-0.2 -5,-0.2 0.898 109.2 52.4 -56.5 -43.5 42.9 10.3 31.0 80 82 A K H X S+ 0 0 63 -4,-2.7 4,-2.3 -7,-0.2 -1,-0.2 0.855 106.2 53.6 -61.5 -41.7 39.8 11.7 29.3 81 83 A E H X S+ 0 0 58 -4,-1.6 4,-1.9 -5,-0.2 -2,-0.2 0.903 111.7 43.9 -58.2 -46.7 40.9 15.3 30.0 82 84 A V H X S+ 0 0 1 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.924 113.4 53.4 -62.4 -45.1 44.3 14.7 28.3 83 85 A M H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.880 106.3 50.8 -58.7 -44.6 42.6 12.9 25.5 84 86 A E H X S+ 0 0 59 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.905 110.6 49.8 -63.1 -43.4 40.3 15.7 24.8 85 87 A K H X S+ 0 0 79 -4,-1.9 4,-0.9 1,-0.2 -2,-0.2 0.846 109.7 51.3 -64.5 -33.6 43.2 18.1 24.7 86 88 A L H X S+ 0 0 8 -4,-2.2 4,-0.6 2,-0.2 3,-0.3 0.876 109.3 49.9 -67.7 -39.8 45.0 15.9 22.3 87 89 A I H >< S+ 0 0 0 -4,-2.1 3,-0.8 1,-0.2 -2,-0.2 0.894 105.9 59.2 -68.5 -36.9 41.9 15.7 20.0 88 90 A R H 3< S+ 0 0 108 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.808 114.8 33.7 -58.6 -29.2 41.8 19.5 20.1 89 91 A E H 3< S+ 0 0 124 -4,-0.9 -1,-0.2 -3,-0.3 -2,-0.2 0.468 102.3 96.3-108.7 -4.3 45.2 19.8 18.7 90 92 A A << - 0 0 4 -3,-0.8 -80,-0.2 -4,-0.6 28,-0.1 -0.534 53.8-158.4 -92.2 157.9 45.2 16.8 16.3 91 93 A D S S+ 0 0 25 -82,-2.7 29,-2.6 1,-0.3 2,-0.3 0.705 82.9 22.8 -91.6 -33.0 44.5 16.5 12.6 92 94 A I E -bd 10 120A 0 -83,-1.7 -81,-3.1 27,-0.2 2,-0.4 -0.998 56.2-168.5-142.5 134.9 43.7 12.7 12.6 93 95 A L E -bd 11 121A 0 27,-1.9 29,-3.2 -2,-0.3 2,-0.4 -1.000 12.9-169.2-120.2 130.4 42.5 10.1 15.2 94 96 A V E +bd 12 122A 0 -83,-3.0 -81,-2.2 -2,-0.4 2,-0.3 -0.958 9.5 170.8-120.6 135.7 42.7 6.4 14.3 95 97 A E E +bd 13 123A 3 27,-1.9 29,-2.1 -2,-0.4 -81,-0.2 -0.993 19.1 173.6-140.0 146.1 41.1 3.7 16.4 96 98 A N + 0 0 23 -83,-1.0 -77,-0.1 -2,-0.3 2,-0.1 -0.195 35.2 136.8-142.8 45.3 40.5 -0.0 15.8 97 99 A F - 0 0 45 1,-0.2 3,-0.1 -84,-0.2 5,-0.1 -0.454 65.7 -64.7 -87.9 172.6 39.2 -1.3 19.1 98 100 A H S > S- 0 0 100 1,-0.1 3,-2.6 -2,-0.1 4,-0.4 -0.056 72.3 -76.0 -54.9 151.8 36.3 -3.7 19.5 99 101 A P T 3 S+ 0 0 22 0, 0.0 -1,-0.1 0, 0.0 36,-0.1 -0.189 121.5 13.5 -49.0 133.4 32.9 -2.5 18.3 100 102 A G T 3> S+ 0 0 39 -3,-0.1 4,-2.4 1,-0.1 5,-0.2 0.102 95.5 112.2 86.8 -25.1 31.5 -0.1 20.9 101 103 A A H <> S+ 0 0 20 -3,-2.6 4,-0.7 1,-0.2 -1,-0.1 0.933 81.5 33.8 -52.5 -61.9 34.9 0.4 22.8 102 104 A I H >4>S+ 0 0 7 -4,-0.4 5,-1.9 1,-0.2 3,-0.8 0.864 115.3 58.6 -70.2 -29.7 35.7 4.1 22.1 103 105 A D H >45S+ 0 0 87 1,-0.3 3,-2.1 2,-0.2 -1,-0.2 0.954 102.9 54.5 -59.0 -45.5 32.0 5.1 22.0 104 106 A H H 3<5S+ 0 0 91 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.617 102.0 56.7 -68.0 -16.9 31.7 3.8 25.6 105 107 A M T <<5S- 0 0 34 -3,-0.8 -1,-0.3 -4,-0.7 -2,-0.2 0.545 123.6-107.3 -80.1 -13.0 34.7 6.1 26.7 106 108 A G T < 5S+ 0 0 33 -3,-2.1 2,-1.1 -4,-0.5 -3,-0.2 0.480 86.6 121.4 97.4 7.4 32.7 9.0 25.4 107 109 A F < + 0 0 5 -5,-1.9 2,-0.2 4,-0.1 -3,-0.1 -0.574 36.5 162.1-102.1 73.3 34.7 9.6 22.2 108 110 A T > - 0 0 38 -2,-1.1 4,-2.6 -5,-0.2 3,-0.4 -0.591 55.7-110.7 -83.2 148.9 31.9 9.2 19.8 109 111 A W H > S+ 0 0 29 1,-0.2 4,-2.5 -2,-0.2 5,-0.2 0.902 121.0 56.9 -43.1 -42.5 32.3 10.5 16.4 110 112 A E H > S+ 0 0 122 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.918 111.2 40.4 -63.5 -41.7 29.7 13.1 17.3 111 113 A H H >> S+ 0 0 72 -3,-0.4 4,-2.4 1,-0.2 3,-0.9 0.943 109.8 56.9 -72.9 -45.0 31.6 14.3 20.3 112 114 A I H 3X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.3 -1,-0.2 0.894 105.0 56.1 -47.8 -48.8 35.1 14.3 18.6 113 115 A Q H 3< S+ 0 0 85 -4,-2.5 -1,-0.3 -5,-0.3 -2,-0.2 0.824 105.8 49.8 -55.1 -36.6 33.4 16.6 16.0 114 116 A E H << S+ 0 0 79 -4,-0.9 -2,-0.2 -3,-0.9 -1,-0.2 0.932 111.4 47.7 -72.1 -43.7 32.5 19.1 18.7 115 117 A I H < S+ 0 0 16 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.896 135.1 4.9 -58.7 -43.4 36.0 19.2 20.2 116 118 A N >< - 0 0 18 -4,-2.4 3,-1.5 -5,-0.2 -1,-0.2 -0.764 56.0-172.1-155.1 97.6 37.6 19.6 16.7 117 119 A P T 3 S+ 0 0 80 0, 0.0 76,-2.2 0, 0.0 -4,-0.1 0.469 90.1 58.4 -72.0 -4.8 35.7 20.1 13.5 118 120 A R T 3 S+ 0 0 108 74,-0.3 2,-0.3 -28,-0.1 76,-0.1 0.452 82.9 112.6 -95.1 -6.3 38.9 19.8 11.4 119 121 A L < - 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0 0 64 -3,-2.5 -10,-0.4 1,-0.1 2,-0.2 -0.502 66.6-121.3 -85.7 144.5 31.6 -9.3 16.1 137 139 A K - 0 0 144 -2,-0.2 2,-0.5 -11,-0.1 -1,-0.1 -0.552 29.9-160.6 -84.2 141.1 35.3 -9.5 16.9 138 140 A A + 0 0 24 -2,-0.2 2,-0.3 4,-0.1 62,-0.0 -0.977 17.8 177.1-134.8 125.8 37.5 -10.0 14.0 139 141 A Y >> - 0 0 159 -2,-0.5 3,-2.1 -13,-0.0 4,-1.5 -0.778 56.2 -78.5-105.4 162.8 41.1 -11.1 13.6 140 142 A E H >> S+ 0 0 27 -2,-0.3 4,-1.5 1,-0.3 3,-0.6 0.741 127.3 40.8 -19.7 -69.7 42.9 -11.6 10.3 141 143 A N H 3> S+ 0 0 77 1,-0.3 4,-1.7 2,-0.2 -1,-0.3 0.686 105.0 64.4 -72.3 -17.4 41.4 -15.0 9.3 142 144 A V H <> S+ 0 0 67 -3,-2.1 4,-2.4 2,-0.2 -1,-0.3 0.913 108.1 43.7 -69.4 -39.2 37.9 -14.2 10.4 143 145 A A H S+ 0 0 0 -4,-1.5 6,-2.3 -5,-0.3 5,-0.8 0.869 110.9 45.0 -62.4 -34.2 39.4 -13.7 5.2 145 147 A A H ><5S+ 0 0 64 -4,-1.7 3,-0.8 4,-0.2 6,-0.2 0.937 116.0 44.6 -73.3 -44.3 36.5 -16.1 5.8 146 148 A A H 3<5S+ 0 0 34 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.742 110.4 56.1 -70.4 -19.0 33.9 -13.3 5.7 147 149 A G T 3<5S- 0 0 5 -4,-1.7 -1,-0.2 -5,-0.1 61,-0.2 0.478 112.7-105.7-103.5 -0.9 35.3 -11.6 2.7 148 150 A G T <>5S+ 0 0 29 -3,-0.8 4,-1.1 -4,-0.4 -3,-0.1 0.219 92.5 105.2 99.0 -5.5 35.4 -14.5 0.1 149 151 A A H >>4 S+ 0 0 8 -6,-2.3 11,-1.3 1,-0.2 3,-0.8 0.915 110.9 54.3 -57.0 -41.4 39.1 -18.4 2.2 151 153 A S H 34 S+ 0 0 59 -7,-0.4 -1,-0.2 -6,-0.2 -2,-0.2 0.830 116.6 37.7 -59.9 -32.8 36.2 -19.8 0.0 152 154 A T H << S+ 0 0 16 -4,-1.1 90,-0.7 -3,-0.5 2,-0.4 0.398 102.2 81.2-100.7 -4.4 38.2 -19.2 -3.2 153 155 A T S << S+ 0 0 54 -4,-0.9 8,-1.5 -3,-0.8 2,-0.3 -0.904 78.5 28.1-111.1 138.4 41.8 -20.0 -2.1 154 156 A G S S- 0 0 16 89,-0.4 89,-2.4 -2,-0.4 2,-0.3 -0.772 97.3 -37.8 115.6-157.0 43.2 -23.5 -1.8 155 157 A F > - 0 0 84 4,-0.4 3,-1.7 -2,-0.3 87,-0.1 -0.725 45.4-117.6-108.0 157.4 42.2 -26.7 -3.8 156 158 A W T 3 S+ 0 0 114 1,-0.3 85,-0.1 -2,-0.3 -1,-0.1 0.756 116.8 41.0 -62.0 -31.6 38.9 -28.0 -5.0 157 159 A D T 3 S+ 0 0 132 2,-0.1 -1,-0.3 0, 0.0 -3,-0.0 0.093 109.8 71.5-104.8 15.2 39.2 -31.1 -2.9 158 160 A G S < S- 0 0 24 -3,-1.7 83,-0.1 1,-0.1 3,-0.1 -0.678 90.4 -83.8-122.2 177.7 40.7 -29.4 0.2 159 161 A P - 0 0 85 0, 0.0 -4,-0.4 0, 0.0 -1,-0.1 -0.283 58.7 -78.5 -72.6 163.6 39.3 -27.0 2.8 160 162 A P - 0 0 77 0, 0.0 2,-0.4 0, 0.0 -9,-0.2 -0.393 57.9-142.3 -52.4 146.5 39.0 -23.3 2.4 161 163 A L - 0 0 78 -8,-1.5 -8,-0.2 -11,-1.3 2,-0.1 -0.971 6.6-134.2-129.6 134.1 42.4 -21.8 2.9 162 164 A V - 0 0 66 -2,-0.4 2,-0.4 1,-0.1 -21,-0.0 -0.443 25.5-124.5 -74.9 151.1 43.7 -18.7 4.6 163 165 A S - 0 0 37 2,-0.2 4,-0.2 -2,-0.1 -19,-0.1 -0.760 7.3-134.7 -98.4 144.6 46.3 -16.7 2.9 164 166 A A S S+ 0 0 112 -2,-0.4 -1,-0.1 2,-0.1 -2,-0.0 0.847 84.2 94.0 -64.9 -33.6 49.6 -15.8 4.6 165 167 A A S S- 0 0 54 1,-0.1 2,-2.4 2,-0.0 3,-0.3 -0.317 93.3-112.0 -62.5 139.9 49.1 -12.2 3.3 166 168 A A > + 0 0 28 1,-0.2 5,-2.5 2,-0.1 6,-0.2 -0.458 55.1 155.4 -76.1 71.6 47.5 -10.0 5.8 167 169 A L T 5S+ 0 0 27 -2,-2.4 -1,-0.2 -4,-0.2 40,-0.1 0.790 78.9 36.7 -66.3 -30.5 44.2 -9.6 3.8 168 170 A G T 5S+ 0 0 0 -3,-0.3 -1,-0.2 3,-0.1 35,-0.1 0.779 127.5 29.3 -92.7 -36.3 42.3 -8.8 7.0 169 171 A D T >5S+ 0 0 13 3,-0.1 4,-2.3 2,-0.1 5,-0.1 0.900 127.0 20.1 -93.8 -85.2 44.9 -6.7 8.9 170 172 A S H >5S+ 0 0 32 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.883 124.0 57.7 -65.0 -33.6 47.6 -4.7 7.1 171 173 A N H > S+ 0 0 0 -6,-0.2 4,-2.4 1,-0.2 5,-0.2 0.913 111.1 54.3 -60.7 -45.3 42.5 -3.1 6.0 173 175 A G H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.900 107.2 50.0 -51.9 -40.7 45.2 -0.6 7.3 174 176 A M H X S+ 0 0 62 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.877 109.5 51.3 -67.7 -40.4 46.2 0.3 3.8 175 177 A H H X S+ 0 0 33 -4,-2.1 4,-1.6 2,-0.2 -1,-0.2 0.862 110.5 46.9 -65.2 -49.7 42.6 0.9 2.8 176 178 A L H X S+ 0 0 0 -4,-2.4 4,-2.9 2,-0.2 5,-0.2 0.901 108.1 58.8 -57.7 -41.6 41.9 3.2 5.8 177 179 A L H X S+ 0 0 9 -4,-2.3 4,-2.3 -5,-0.2 -2,-0.2 0.912 102.9 51.6 -52.8 -46.1 45.1 5.0 4.9 178 180 A I H X S+ 0 0 111 -4,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.922 111.2 47.7 -55.3 -47.8 43.7 5.7 1.5 179 181 A G H X S+ 0 0 20 -4,-1.6 4,-2.1 1,-0.2 -2,-0.2 0.902 110.0 52.3 -61.3 -41.5 40.6 7.2 3.0 180 182 A L H X S+ 0 0 0 -4,-2.9 4,-1.5 2,-0.2 -1,-0.2 0.875 110.7 46.6 -65.5 -38.5 42.6 9.3 5.5 181 183 A L H X S+ 0 0 51 -4,-2.3 4,-1.9 -5,-0.2 -1,-0.2 0.906 111.8 51.0 -70.2 -36.9 44.7 10.8 2.8 182 184 A A H X S+ 0 0 56 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.820 109.0 52.3 -64.4 -35.7 41.6 11.5 0.7 183 185 A A H X S+ 0 0 1 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.831 105.7 55.0 -70.4 -32.6 40.0 13.2 3.7 184 186 A L H X S+ 0 0 19 -4,-1.5 4,-0.9 2,-0.2 -2,-0.2 0.914 110.6 44.9 -65.2 -40.6 43.1 15.4 4.1 185 187 A L H >< S+ 0 0 122 -4,-1.9 3,-0.6 1,-0.2 4,-0.4 0.908 111.8 52.2 -69.0 -44.3 42.7 16.5 0.5 186 188 A H H >X S+ 0 0 86 -4,-2.2 4,-2.0 1,-0.2 3,-1.5 0.868 104.4 56.6 -57.8 -41.4 39.0 17.1 0.9 187 189 A R H 3X S+ 0 0 10 -4,-2.3 4,-1.8 1,-0.3 -1,-0.2 0.731 93.7 68.6 -63.9 -27.9 39.6 19.2 4.0 188 190 A E H << S+ 0 0 142 -4,-0.9 -1,-0.3 -3,-0.6 -2,-0.2 0.723 112.5 31.8 -58.3 -24.2 41.8 21.5 1.9 189 191 A K H <4 S+ 0 0 176 -3,-1.5 -2,-0.2 -4,-0.4 -1,-0.2 0.708 129.1 33.2-102.1 -38.0 38.5 22.5 0.1 190 192 A T H < S- 0 0 69 -4,-2.0 -3,-0.2 2,-0.2 -2,-0.1 0.581 89.2-133.1 -93.9 -16.0 35.9 22.3 2.8 191 193 A G S < S+ 0 0 36 -4,-1.8 2,-0.3 -5,-0.2 -4,-0.1 0.544 72.8 107.9 68.7 6.8 37.8 23.3 5.9 192 194 A R - 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0 0 2 -16,-3.3 -16,-0.1 -2,-0.5 -1,-0.1 0.108 42.7 -45.9 -87.1-165.2 59.9 -0.4 4.6 372 374 A C - 0 0 6 -18,-0.3 -1,-0.2 1,-0.1 11,-0.0 -0.585 56.3-151.8 -66.4 111.7 57.8 2.1 2.8 373 375 A P S S+ 0 0 75 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.834 74.0 59.8 -68.1 -36.3 56.5 -0.0 -0.1 374 376 A M S S- 0 0 91 -3,-0.0 2,-0.4 -19,-0.0 -2,-0.0 -0.647 79.7-137.2 -92.7 148.6 56.0 2.8 -2.7 375 377 A K - 0 0 111 -2,-0.3 2,-0.4 5,-0.1 5,-0.1 -0.887 13.8-159.1-114.8 133.2 59.0 4.9 -3.7 376 378 A F - 0 0 78 3,-0.6 3,-0.2 -2,-0.4 0, 0.0 -0.910 17.3-149.3-119.1 137.4 58.9 8.7 -4.2 377 379 A S S S+ 0 0 136 -2,-0.4 -1,-0.1 1,-0.2 3,-0.1 0.686 97.5 51.4 -77.7 -15.3 61.2 10.8 -6.2 378 380 A A S S+ 0 0 92 1,-0.2 -376,-0.4 -377,-0.0 2,-0.3 0.595 119.1 10.0-101.5 -13.4 60.9 13.8 -3.9 379 381 A F - 0 0 23 -3,-0.2 -3,-0.6 -378,-0.1 -1,-0.2 -0.986 53.0-149.4-160.6 163.3 61.5 12.1 -0.5 380 382 A T - 0 0 123 -2,-0.3 2,-0.1 -5,-0.1 -5,-0.1 -0.993 27.2-126.2-134.8 124.6 62.7 9.0 1.2 381 383 A P - 0 0 30 0, 0.0 2,-0.7 0, 0.0 -9,-0.1 -0.420 12.7-139.2 -71.1 147.4 61.4 8.0 4.6 382 384 A D - 0 0 114 -354,-0.1 2,-0.6 -2,-0.1 -2,-0.0 -0.940 18.5-143.9-107.9 113.0 63.9 7.2 7.3 383 385 A I - 0 0 19 -2,-0.7 2,-0.2 -25,-0.1 -12,-0.0 -0.689 26.1-177.7 -89.4 120.7 62.7 4.2 9.2 384 386 A K - 0 0 116 -2,-0.6 -317,-0.1 1,-0.2 -318,-0.1 -0.529 29.1 -73.6-116.1 174.2 63.4 4.5 12.8 385 387 A A - 0 0 29 -25,-0.2 -319,-2.0 -320,-0.2 -318,-0.3 -0.063 47.8-107.9 -66.2 166.2 62.9 2.4 16.0 386 388 A A - 0 0 3 -321,-0.3 2,-0.2 -320,-0.1 -321,-0.2 -0.617 42.1 -98.2 -90.9 157.3 59.6 1.8 17.7 387 389 A P - 0 0 2 0, 0.0 2,-0.1 0, 0.0 3,-0.1 -0.524 27.2-122.5 -77.8 146.3 58.9 3.5 21.0 388 390 A L > - 0 0 49 -2,-0.2 3,-2.1 1,-0.1 4,-0.3 -0.478 54.4 -74.6 -77.2 161.2 59.3 2.0 24.4 389 391 A L T 3 S- 0 0 46 1,-0.3 -1,-0.1 2,-0.1 -318,-0.1 -0.322 115.6 -5.0 -64.3 125.2 56.2 2.0 26.4 390 392 A G T > S+ 0 0 11 -2,-0.2 3,-1.5 -3,-0.1 4,-0.4 0.586 87.3 141.9 68.1 16.7 55.4 5.5 27.7 391 393 A E T < S+ 0 0 97 -3,-2.1 4,-0.2 1,-0.3 3,-0.1 0.808 76.8 31.5 -60.1 -33.6 58.7 6.8 26.4 392 394 A H T 3> S+ 0 0 42 -323,-2.3 4,-2.5 -4,-0.3 5,-0.3 0.154 81.4 111.6-113.4 17.1 57.2 10.1 25.4 393 395 A T H <> S+ 0 0 13 -3,-1.5 4,-2.8 -324,-0.3 5,-0.2 0.953 83.2 45.6 -53.7 -53.0 54.5 10.6 27.9 394 396 A A H > S+ 0 0 30 -4,-0.4 4,-2.7 1,-0.2 -1,-0.2 0.932 113.8 47.8 -57.9 -52.2 56.3 13.6 29.5 395 397 A A H > S+ 0 0 29 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.880 113.1 48.2 -56.6 -43.0 57.2 15.3 26.2 396 398 A V H X S+ 0 0 1 -4,-2.5 4,-1.2 2,-0.2 -1,-0.2 0.912 111.9 49.3 -72.7 -37.2 53.6 14.9 24.9 397 399 A L H <>S+ 0 0 11 -4,-2.8 5,-1.6 -5,-0.3 3,-0.4 0.920 109.3 51.6 -64.1 -37.8 52.2 16.2 28.1 398 400 A Q H ><5S+ 0 0 98 -4,-2.7 3,-1.7 1,-0.2 -1,-0.2 0.885 106.3 55.9 -65.8 -33.2 54.6 19.2 28.1 399 401 A E H 3<5S+ 0 0 119 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.793 103.9 54.4 -69.0 -26.4 53.4 19.9 24.5 400 402 A L T 3<5S- 0 0 32 -4,-1.2 -1,-0.3 -3,-0.4 -2,-0.2 0.415 128.3 -97.4 -80.8 0.9 49.9 20.0 25.8 401 403 A G T < 5S+ 0 0 62 -3,-1.7 -3,-0.2 1,-0.3 -2,-0.1 0.190 74.8 143.7 97.9 -13.9 50.8 22.7 28.4 402 404 A Y < - 0 0 33 -5,-1.6 -1,-0.3 -6,-0.2 2,-0.1 -0.342 44.8-131.0 -62.6 140.2 51.3 20.5 31.5 403 405 A S > - 0 0 53 1,-0.1 4,-2.2 4,-0.0 5,-0.2 -0.363 25.0-102.6 -83.3 167.5 54.1 21.6 33.8 404 406 A D H > S+ 0 0 110 1,-0.2 4,-2.7 2,-0.2 5,-0.1 0.862 122.7 48.3 -54.1 -39.8 56.8 19.3 35.1 405 407 A D H > S+ 0 0 134 2,-0.2 4,-3.0 1,-0.2 -1,-0.2 0.812 108.9 53.9 -72.0 -34.7 55.1 19.1 38.5 406 408 A E H > S+ 0 0 96 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.938 111.4 45.1 -63.3 -48.0 51.8 18.3 37.0 407 409 A I H X S+ 0 0 10 -4,-2.2 4,-2.4 2,-0.2 5,-0.2 0.958 114.2 48.7 -59.8 -48.0 53.4 15.5 35.0 408 410 A A H X S+ 0 0 55 -4,-2.7 4,-2.7 1,-0.3 -2,-0.2 0.922 111.8 50.5 -64.1 -40.0 55.2 14.3 38.1 409 411 A A H X S+ 0 0 46 -4,-3.0 4,-2.3 1,-0.2 -1,-0.3 0.877 109.2 49.4 -64.8 -44.8 52.0 14.5 40.1 410 412 A M H X S+ 0 0 49 -4,-2.6 4,-1.5 2,-0.2 -1,-0.2 0.889 114.2 46.1 -61.6 -38.6 50.0 12.5 37.6 411 413 A K H X S+ 0 0 113 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.941 113.8 48.4 -69.7 -43.7 52.7 9.7 37.4 412 414 A Q H X S+ 0 0 116 -4,-2.7 4,-2.5 -5,-0.2 -2,-0.2 0.935 111.3 49.1 -59.9 -50.9 53.0 9.6 41.2 413 415 A N H X S+ 0 0 109 -4,-2.3 4,-0.7 1,-0.2 -1,-0.2 0.860 111.9 49.7 -55.7 -40.0 49.3 9.4 41.7 414 416 A H H >< S+ 0 0 111 -4,-1.5 3,-0.6 2,-0.2 -1,-0.2 0.889 112.1 47.3 -66.4 -41.5 49.1 6.6 39.1 415 417 A A H 3< S+ 0 0 76 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.871 108.5 56.6 -67.9 -33.4 51.9 4.7 40.8 416 418 A I H 3< 0 0 116 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.636 360.0 360.0 -76.4 -15.2 50.3 5.2 44.2 417 419 A E << 0 0 123 -4,-0.7 -3,-0.0 -3,-0.6 -4,-0.0 -0.583 360.0 360.0 -86.6 360.0 47.0 3.5 43.0