==== 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 03-JUL-09 3I58 . COMPND 2 MOLECULE: O-METHYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES CARZINOSTATICUS SUBSP. . AUTHOR H.A.COOKE,S.D.BRUNER . 658 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24804.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 490 74.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 44 6.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 43 6.5 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 . 3 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 1 0.2 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 . 41 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 85 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 239 36.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.8 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 6 4 3 3 3 3 0 3 1 1 3 2 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 0 6 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 . 1 0 2 0 1 1 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 2 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 A 0 0 108 0, 0.0 2,-0.7 0, 0.0 390,-0.2 0.000 360.0 360.0 360.0 124.4 -56.7 40.6 -15.2 2 6 A A + 0 0 5 389,-0.3 4,-0.1 1,-0.1 389,-0.1 -0.877 360.0 150.2-109.7 97.1 -55.0 40.5 -11.8 3 7 A H + 0 0 163 -2,-0.7 2,-0.3 2,-0.1 -1,-0.1 -0.246 60.0 81.9-115.7 35.8 -57.5 41.4 -9.1 4 8 A I S S- 0 0 80 2,-0.0 5,-0.1 0, 0.0 0, 0.0 -0.994 94.1 -77.8-145.4 136.9 -55.5 39.1 -6.7 5 9 A G >> - 0 0 39 -2,-0.3 4,-2.8 3,-0.1 3,-0.6 0.036 31.5-127.4 -40.9 126.2 -52.4 39.8 -4.7 6 10 A L H 3> S+ 0 0 3 1,-0.3 4,-0.9 2,-0.2 -1,-0.1 0.843 111.8 45.4 -38.9 -50.3 -48.9 39.7 -6.3 7 11 A R H 34 S+ 0 0 72 1,-0.2 3,-0.4 2,-0.2 -1,-0.3 0.890 114.3 48.6 -66.6 -36.7 -47.5 37.3 -3.8 8 12 A A H X4 S+ 0 0 58 -3,-0.6 3,-1.4 1,-0.2 -2,-0.2 0.817 104.9 59.7 -70.5 -30.0 -50.7 35.1 -4.1 9 13 A L H 3< S+ 0 0 22 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.774 108.9 45.1 -68.3 -24.0 -50.3 35.3 -7.9 10 14 A A T 3< S+ 0 0 0 -4,-0.9 -1,-0.3 -3,-0.4 -2,-0.2 0.161 84.1 137.7-104.9 17.4 -46.9 33.7 -7.4 11 15 A D < + 0 0 36 -3,-1.4 334,-0.1 1,-0.1 -3,-0.1 -0.417 26.2 176.0 -68.0 135.3 -48.0 31.0 -5.0 12 16 A L > + 0 0 4 -2,-0.2 4,-2.2 2,-0.1 5,-0.3 0.576 66.6 79.6-111.4 -17.2 -46.6 27.5 -5.5 13 17 A A H > S+ 0 0 0 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.906 97.9 41.1 -58.3 -45.4 -48.2 25.9 -2.5 14 18 A T H > S+ 0 0 25 2,-0.2 4,-2.5 3,-0.2 5,-0.2 0.946 113.5 49.7 -72.8 -47.6 -51.6 25.4 -4.0 15 19 A P H > S+ 0 0 8 0, 0.0 4,-2.1 0, 0.0 -2,-0.2 0.947 118.0 42.2 -56.1 -46.6 -50.5 24.3 -7.5 16 20 A M H X S+ 0 0 2 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.849 111.2 55.3 -67.3 -36.7 -48.2 21.7 -6.0 17 21 A A H X S+ 0 0 0 -4,-1.9 4,-1.9 -5,-0.3 -1,-0.2 0.874 109.8 47.1 -64.4 -37.3 -50.8 20.7 -3.4 18 22 A V H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 -2,-0.2 0.927 112.2 49.2 -70.0 -44.4 -53.3 20.0 -6.2 19 23 A R H X S+ 0 0 4 -4,-2.1 4,-2.1 -5,-0.2 76,-0.5 0.880 111.1 50.4 -63.2 -37.4 -50.7 18.0 -8.2 20 24 A V H X S+ 0 0 0 -4,-2.4 4,-2.9 2,-0.2 -1,-0.2 0.914 111.1 47.9 -67.5 -40.9 -49.8 16.0 -5.1 21 25 A A H <>S+ 0 0 1 -4,-1.9 5,-1.9 1,-0.2 4,-0.4 0.924 112.0 50.6 -63.9 -42.6 -53.4 15.2 -4.4 22 26 A A H ><5S+ 0 0 1 -4,-2.8 3,-0.5 1,-0.2 -1,-0.2 0.883 113.1 46.4 -61.6 -37.7 -53.9 14.3 -8.0 23 27 A T H 3<5S+ 0 0 10 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.895 112.8 47.3 -73.2 -40.2 -50.8 12.0 -7.8 24 28 A L T 3<5S- 0 0 10 -4,-2.9 -1,-0.2 -5,-0.1 -2,-0.2 0.414 105.8-130.7 -79.6 2.7 -51.9 10.4 -4.5 25 29 A R T <>5 + 0 0 91 -3,-0.5 4,-2.0 -4,-0.4 3,-0.3 0.860 46.0 164.4 50.7 39.5 -55.3 9.9 -6.0 26 30 A V H >< + 0 0 0 -5,-1.9 4,-2.0 1,-0.2 5,-0.1 0.888 68.4 53.7 -54.4 -45.2 -56.9 11.4 -2.9 27 31 A A H > S+ 0 0 2 -6,-0.3 4,-2.5 1,-0.2 -1,-0.2 0.894 107.4 51.4 -60.2 -40.2 -60.3 12.0 -4.5 28 32 A D H > S+ 0 0 37 53,-0.3 4,-1.0 -3,-0.3 -1,-0.2 0.930 109.7 49.1 -63.3 -44.7 -60.5 8.3 -5.6 29 33 A H H <>S+ 0 0 36 -4,-2.0 5,-2.4 2,-0.2 -1,-0.2 0.855 112.0 50.1 -62.4 -36.0 -59.7 7.1 -2.1 30 34 A I H ><5S+ 0 0 0 -4,-2.0 3,-1.8 1,-0.2 -2,-0.2 0.967 110.5 46.4 -67.0 -54.6 -62.4 9.5 -0.6 31 35 A A H 3<5S+ 0 0 56 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.658 108.2 61.8 -63.3 -14.4 -65.2 8.4 -3.0 32 36 A A T 3<5S- 0 0 67 -4,-1.0 -1,-0.3 -5,-0.2 -2,-0.2 0.169 129.3 -87.4 -98.3 17.0 -64.2 4.8 -2.3 33 37 A G T < 5S+ 0 0 47 -3,-1.8 2,-0.8 1,-0.2 -3,-0.2 0.380 90.0 121.1 99.9 -7.8 -64.9 5.0 1.5 34 38 A H < + 0 0 66 -5,-2.4 -1,-0.2 1,-0.2 -2,-0.2 -0.845 25.8 157.2 -93.6 113.8 -61.7 6.3 3.0 35 39 A R + 0 0 93 -2,-0.8 37,-3.0 -3,-0.1 2,-0.2 0.756 43.9 70.0-108.4 -33.3 -62.7 9.5 4.8 36 40 A T S > S- 0 0 39 35,-0.2 4,-2.7 1,-0.1 3,-0.4 -0.603 82.7-115.7 -93.0 152.0 -60.2 10.3 7.5 37 41 A A H > S+ 0 0 13 33,-0.5 4,-2.9 1,-0.3 5,-0.3 0.901 117.0 55.4 -47.3 -48.2 -56.6 11.4 7.1 38 42 A A H > S+ 0 0 63 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.919 113.1 41.8 -53.0 -47.7 -55.4 8.1 8.7 39 43 A E H > S+ 0 0 85 -3,-0.4 4,-2.8 2,-0.2 5,-0.3 0.972 114.7 47.3 -65.4 -58.3 -57.4 6.1 6.2 40 44 A I H X S+ 0 0 0 -4,-2.7 4,-1.3 1,-0.2 -2,-0.2 0.897 112.5 53.1 -49.9 -45.5 -56.6 8.1 3.0 41 45 A A H X>S+ 0 0 3 -4,-2.9 5,-2.3 -5,-0.3 4,-2.1 0.929 111.3 42.7 -58.3 -50.8 -52.9 8.1 4.0 42 46 A S H <5S+ 0 0 93 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.894 113.8 52.7 -65.4 -38.0 -52.6 4.3 4.4 43 47 A A H <5S+ 0 0 38 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.718 121.7 32.3 -68.8 -20.9 -54.7 3.8 1.2 44 48 A A H <5S- 0 0 28 -4,-1.3 -2,-0.2 -3,-0.4 -1,-0.2 0.528 109.4-114.6-112.9 -10.9 -52.2 6.1 -0.6 45 49 A G T <5 + 0 0 55 -4,-2.1 2,-0.2 1,-0.2 -3,-0.2 0.814 68.2 136.2 80.9 31.0 -49.0 5.4 1.2 46 50 A A < - 0 0 15 -5,-2.3 2,-0.5 -6,-0.2 397,-0.3 -0.651 65.1 -92.0-109.1 165.8 -48.6 8.9 2.7 47 51 A H > - 0 0 70 395,-2.2 4,-3.1 -2,-0.2 5,-0.3 -0.660 37.4-136.6 -77.1 121.6 -47.6 10.2 6.1 48 52 A A H > S+ 0 0 41 -2,-0.5 4,-2.8 1,-0.2 5,-0.2 0.909 97.8 40.5 -44.6 -63.8 -50.8 10.6 8.1 49 53 A D H > S+ 0 0 112 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.877 117.4 49.2 -57.5 -42.3 -50.1 14.0 9.7 50 54 A S H > S+ 0 0 2 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.953 111.8 47.7 -63.8 -50.1 -48.5 15.5 6.6 51 55 A L H X S+ 0 0 0 -4,-3.1 4,-3.0 391,-0.4 5,-0.2 0.928 108.0 55.6 -57.5 -45.6 -51.4 14.3 4.4 52 56 A D H X S+ 0 0 32 -4,-2.8 4,-2.7 -5,-0.3 -1,-0.2 0.924 107.4 50.6 -52.8 -43.6 -53.9 15.7 6.8 53 57 A R H X S+ 0 0 27 -4,-1.9 4,-1.4 2,-0.2 -1,-0.2 0.866 110.0 49.1 -63.4 -35.9 -52.1 19.1 6.5 54 58 A L H X S+ 0 0 0 -4,-1.9 4,-2.2 -3,-0.2 -2,-0.2 0.941 111.9 49.1 -67.3 -47.2 -52.3 18.9 2.6 55 59 A L H X S+ 0 0 0 -4,-3.0 4,-2.1 1,-0.2 -2,-0.2 0.919 107.0 54.1 -58.8 -47.3 -56.0 18.1 2.8 56 60 A R H X S+ 0 0 101 -4,-2.7 4,-1.8 1,-0.2 -1,-0.2 0.875 109.8 48.8 -56.1 -37.4 -56.7 21.0 5.2 57 61 A H H X S+ 0 0 13 -4,-1.4 4,-1.6 1,-0.2 -1,-0.2 0.899 112.1 48.1 -70.0 -38.5 -55.1 23.3 2.7 58 62 A L H X>S+ 0 0 0 -4,-2.2 5,-2.5 2,-0.2 4,-1.2 0.735 106.0 57.9 -73.3 -21.8 -57.1 21.8 -0.2 59 63 A V H <5S+ 0 0 42 -4,-2.1 3,-0.4 4,-0.2 -1,-0.2 0.936 107.5 48.2 -69.4 -45.6 -60.3 22.2 1.9 60 64 A A H <5S+ 0 0 68 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.868 107.1 55.8 -59.7 -39.3 -59.5 25.9 2.1 61 65 A V H <5S- 0 0 15 -4,-1.6 -1,-0.2 -5,-0.1 -2,-0.2 0.816 121.2-109.2 -65.3 -29.8 -58.9 26.0 -1.6 62 66 A G T <5S+ 0 0 16 -4,-1.2 15,-0.4 -3,-0.4 16,-0.2 0.667 91.0 103.5 109.0 23.5 -62.3 24.6 -2.2 63 67 A L S - 0 0 67 4,-2.3 3,-3.1 -2,-0.4 4,-0.2 -0.359 41.9 -83.3 -92.2 173.4 -66.5 17.6 9.1 68 72 A G T 3 S+ 0 0 68 1,-0.3 -1,-0.0 2,-0.2 -2,-0.0 0.722 127.6 50.8 -46.0 -32.5 -66.2 17.6 12.9 69 73 A Q T 3 S- 0 0 155 2,-0.1 -1,-0.3 -33,-0.0 3,-0.1 0.366 122.8-101.8 -90.8 5.8 -64.9 14.1 13.1 70 74 A G S < S+ 0 0 7 -3,-3.1 2,-0.7 1,-0.3 -33,-0.5 0.683 70.2 156.1 81.8 18.1 -62.2 14.7 10.5 71 75 A V - 0 0 51 -4,-0.2 -4,-2.3 -35,-0.1 -1,-0.3 -0.715 31.9-147.6 -81.9 114.0 -64.3 13.0 7.9 72 76 A Y E -A 66 0A 1 -37,-3.0 2,-0.3 -2,-0.7 -6,-0.3 -0.576 18.6-179.7 -85.9 146.9 -63.2 14.3 4.5 73 77 A G E -A 65 0A 13 -8,-2.5 -8,-2.4 -2,-0.2 2,-0.3 -0.948 29.1-102.4-140.8 160.0 -65.6 14.7 1.6 74 78 A L E -A 64 0A 30 -2,-0.3 -10,-0.2 -10,-0.2 2,-0.1 -0.668 28.0-137.6 -89.6 139.6 -65.4 15.9 -2.0 75 79 A T > - 0 0 26 -12,-2.2 4,-0.8 -2,-0.3 -10,-0.1 -0.330 34.6-100.7 -81.2 170.4 -66.6 19.3 -3.1 76 80 A E T 4 S+ 0 0 145 1,-0.2 3,-0.5 2,-0.2 4,-0.3 0.895 129.9 43.0 -59.1 -38.2 -68.6 19.7 -6.3 77 81 A F T >4 S+ 0 0 77 -15,-0.4 3,-1.3 1,-0.2 -1,-0.2 0.805 103.4 64.7 -77.9 -31.3 -65.3 20.9 -7.8 78 82 A G G >4 S+ 0 0 0 1,-0.3 3,-1.7 -16,-0.2 4,-0.2 0.645 83.5 78.5 -67.6 -13.9 -63.2 18.2 -6.1 79 83 A E G >< S+ 0 0 58 -4,-0.8 3,-2.4 -3,-0.5 -1,-0.3 0.871 79.9 69.0 -60.9 -36.8 -65.0 15.6 -8.2 80 84 A Q G < S+ 0 0 47 -3,-1.3 10,-0.6 -4,-0.3 9,-0.3 0.547 89.1 65.4 -60.2 -7.3 -62.8 16.6 -11.1 81 85 A L G < S+ 0 0 3 -3,-1.7 -53,-0.3 -18,-0.1 -1,-0.3 0.601 76.8 104.3 -90.9 -13.7 -59.9 15.0 -9.3 82 86 A R S X S- 0 0 37 -3,-2.4 3,-1.5 -4,-0.2 8,-0.4 -0.444 75.6-131.6 -69.2 139.3 -61.4 11.5 -9.5 83 87 A D T 3 S+ 0 0 79 1,-0.3 -1,-0.1 -2,-0.1 8,-0.1 0.666 106.4 53.6 -66.0 -15.6 -59.7 9.3 -12.1 84 88 A D T 3 S+ 0 0 118 6,-0.0 -1,-0.3 3,-0.0 -4,-0.1 0.333 81.2 123.7-101.3 5.0 -63.1 8.3 -13.4 85 89 A H X - 0 0 49 -3,-1.5 3,-1.1 -6,-0.2 -5,-0.1 -0.292 70.0-117.7 -66.9 152.1 -64.4 11.8 -14.0 86 90 A A T 3 S+ 0 0 101 1,-0.2 -1,-0.1 2,-0.1 -6,-0.0 0.888 109.1 55.2 -55.6 -49.1 -65.6 12.9 -17.5 87 91 A A T 3 S- 0 0 37 1,-0.1 -1,-0.2 3,-0.0 -7,-0.0 0.590 91.9-144.3 -65.8 -12.8 -63.0 15.6 -18.1 88 92 A G < + 0 0 12 -3,-1.1 4,-0.3 -6,-0.2 3,-0.1 0.802 50.1 141.8 50.5 37.1 -60.1 13.2 -17.5 89 93 A K >> + 0 0 42 -9,-0.3 3,-2.2 1,-0.2 4,-0.8 0.884 49.6 71.8 -74.5 -44.4 -58.1 16.0 -15.9 90 94 A R H >> S+ 0 0 12 -10,-0.6 4,-1.5 -8,-0.4 3,-1.4 0.852 91.8 58.1 -43.5 -46.5 -56.4 14.1 -13.0 91 95 A K H 34 S+ 0 0 49 1,-0.3 9,-0.3 2,-0.2 -1,-0.3 0.784 100.9 57.7 -60.5 -24.3 -54.0 12.2 -15.4 92 96 A W H <4 S+ 0 0 21 -3,-2.2 -1,-0.3 -4,-0.3 -2,-0.2 0.767 111.3 41.6 -75.3 -23.6 -52.6 15.5 -16.7 93 97 A L H << S+ 0 0 3 -3,-1.4 -70,-0.2 -4,-0.8 -2,-0.2 0.623 83.6 117.0 -96.4 -16.8 -51.6 16.6 -13.2 94 98 A D >< - 0 0 9 -4,-1.5 3,-1.3 -72,-0.2 6,-0.4 -0.337 63.7-141.6 -56.7 119.4 -50.2 13.2 -12.0 95 99 A M T 3 S+ 0 0 23 -76,-0.5 -1,-0.2 1,-0.3 -75,-0.1 0.585 99.8 60.3 -61.2 -6.1 -46.5 13.7 -11.3 96 100 A N T 3 S+ 0 0 101 -5,-0.0 -1,-0.3 5,-0.0 45,-0.1 0.783 87.9 82.9 -92.0 -29.5 -46.0 10.3 -12.8 97 101 A S S <> S- 0 0 10 -3,-1.3 4,-1.6 -6,-0.2 5,-0.2 -0.287 92.8-109.2 -70.9 160.6 -47.4 11.1 -16.3 98 102 A A H > S+ 0 0 0 40,-0.4 4,-2.7 1,-0.2 5,-0.2 0.908 118.4 42.1 -57.5 -44.1 -45.1 12.7 -18.9 99 103 A V H > S+ 0 0 8 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.869 113.2 50.7 -73.2 -36.7 -47.0 16.0 -18.7 100 104 A G H 4 S+ 0 0 0 -6,-0.4 4,-0.3 -9,-0.3 -1,-0.2 0.750 117.2 43.6 -71.5 -21.2 -47.4 16.1 -14.9 101 105 A R H >< S+ 0 0 59 -4,-1.6 3,-0.5 -7,-0.2 -2,-0.2 0.863 113.8 48.1 -88.4 -41.7 -43.7 15.4 -14.8 102 106 A G H >< S+ 0 0 0 -4,-2.7 3,-2.7 -5,-0.2 4,-0.2 0.883 101.7 63.9 -67.1 -38.0 -42.6 17.8 -17.5 103 107 A D G >< S+ 0 0 5 -4,-2.3 3,-2.1 1,-0.3 -1,-0.2 0.803 90.3 66.4 -57.0 -30.5 -44.6 20.7 -16.0 104 108 A L G X S+ 0 0 8 -3,-0.5 3,-1.5 -4,-0.3 -1,-0.3 0.649 82.4 79.9 -66.1 -11.0 -42.5 20.6 -12.9 105 109 A G G X S+ 0 0 0 -3,-2.7 3,-2.2 1,-0.3 -1,-0.3 0.714 70.9 79.9 -67.7 -18.0 -39.8 21.7 -15.3 106 110 A F G X S+ 0 0 1 -3,-2.1 3,-2.6 1,-0.3 -1,-0.3 0.768 71.3 78.6 -59.7 -24.0 -41.2 25.2 -14.9 107 111 A V G < S+ 0 0 4 -3,-1.5 -1,-0.3 1,-0.3 -2,-0.1 0.571 96.7 47.9 -62.5 -4.5 -39.3 25.4 -11.7 108 112 A E G X> S+ 0 0 40 -3,-2.2 3,-1.0 1,-0.1 4,-0.9 0.012 71.6 122.8-121.0 24.2 -36.4 26.1 -14.0 109 113 A L H <> + 0 0 0 -3,-2.6 4,-2.8 1,-0.3 3,-0.4 0.861 64.5 69.3 -55.3 -37.6 -38.1 28.8 -16.2 110 114 A A H 3> S+ 0 0 10 1,-0.3 4,-2.3 -4,-0.2 -1,-0.3 0.905 95.8 54.8 -50.0 -42.0 -35.3 31.3 -15.3 111 115 A H H <> S+ 0 0 62 -3,-1.0 4,-2.8 1,-0.2 6,-0.5 0.913 109.9 44.8 -60.6 -41.8 -32.9 29.2 -17.4 112 116 A S H X S+ 0 0 0 -4,-0.9 4,-2.9 -3,-0.4 -1,-0.2 0.942 111.7 52.1 -67.5 -45.4 -35.1 29.3 -20.5 113 117 A I H < S+ 0 0 0 -4,-2.8 263,-2.5 1,-0.2 267,-0.4 0.846 117.0 40.0 -60.3 -33.0 -35.8 33.0 -20.1 114 118 A R H < S+ 0 0 111 -4,-2.3 -2,-0.2 -5,-0.3 -1,-0.2 0.928 131.8 21.0 -81.3 -46.5 -32.0 33.7 -19.9 115 119 A T H < S- 0 0 57 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.2 0.697 88.8-127.7 -97.2 -24.0 -30.7 31.2 -22.5 116 120 A G S < S+ 0 0 14 -4,-2.9 -4,-0.2 -5,-0.4 -3,-0.1 0.524 71.8 123.8 84.5 4.4 -33.6 30.5 -24.8 117 121 A Q S S- 0 0 113 -6,-0.5 -1,-0.4 -5,-0.1 -2,-0.2 -0.632 72.1 -87.2 -97.0 156.3 -32.9 26.8 -24.1 118 122 A P - 0 0 26 0, 0.0 4,-0.3 0, 0.0 170,-0.2 -0.259 26.2-152.6 -61.5 151.5 -35.4 24.2 -22.8 119 123 A A S > S+ 0 0 0 169,-1.4 4,-1.6 168,-0.2 3,-0.5 0.711 79.9 82.1 -96.6 -27.7 -35.6 23.9 -19.0 120 124 A Y H > S+ 0 0 1 168,-3.0 4,-2.4 1,-0.3 5,-0.2 0.878 92.3 50.7 -46.8 -46.3 -36.7 20.3 -18.9 121 125 A P H > S+ 0 0 39 0, 0.0 4,-3.4 0, 0.0 -1,-0.3 0.895 101.7 61.8 -61.5 -40.2 -33.1 19.1 -19.2 122 126 A V H 4 S+ 0 0 68 -3,-0.5 -2,-0.2 -4,-0.3 -3,-0.1 0.920 114.7 33.7 -52.6 -45.6 -32.0 21.4 -16.4 123 127 A R H < S+ 0 0 51 -4,-1.6 -1,-0.2 -3,-0.2 -3,-0.1 0.819 132.0 29.5 -81.7 -31.3 -34.2 19.5 -14.0 124 128 A Y H < S- 0 0 47 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.1 0.481 96.5-123.5-110.7 -1.7 -34.1 16.0 -15.4 125 129 A G S < S+ 0 0 70 -4,-3.4 2,-0.3 -5,-0.2 -3,-0.1 0.716 83.4 52.5 69.8 22.8 -30.6 15.8 -17.0 126 130 A T S S- 0 0 33 -6,-0.2 -2,-0.2 -5,-0.1 -1,-0.1 -0.951 91.5 -80.6-176.0 159.0 -31.8 14.9 -20.5 127 131 A S > - 0 0 37 -2,-0.3 4,-1.9 1,-0.1 5,-0.1 -0.128 42.3-111.0 -65.7 169.1 -34.2 16.0 -23.2 128 132 A F H > S+ 0 0 3 161,-0.4 4,-2.4 2,-0.2 5,-0.2 0.945 117.7 45.7 -65.9 -49.0 -37.9 15.2 -23.1 129 133 A W H > S+ 0 0 35 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.841 110.8 52.3 -65.0 -36.7 -37.7 12.7 -26.0 130 134 A E H > S+ 0 0 129 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.929 110.0 51.5 -64.7 -41.6 -34.6 11.1 -24.7 131 135 A D H >X S+ 0 0 17 -4,-1.9 4,-0.9 1,-0.2 3,-0.8 0.938 112.2 43.1 -59.2 -51.6 -36.5 10.6 -21.4 132 136 A L H 3< S+ 0 0 6 -4,-2.4 7,-0.5 1,-0.2 3,-0.3 0.853 110.5 58.7 -64.0 -34.9 -39.5 9.0 -23.0 133 137 A G H 3< S+ 0 0 61 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.714 111.3 39.3 -68.3 -21.4 -37.2 6.9 -25.2 134 138 A S H << S+ 0 0 93 -4,-1.1 -1,-0.2 -3,-0.8 -2,-0.2 0.491 114.1 56.9-104.8 -7.5 -35.5 5.3 -22.2 135 139 A D X - 0 0 66 -4,-0.9 4,-2.5 -3,-0.3 -1,-0.2 -0.853 61.5-175.6-126.7 94.9 -38.7 5.0 -20.1 136 140 A P H > S+ 0 0 102 0, 0.0 4,-1.8 0, 0.0 -1,-0.1 0.856 85.9 50.8 -58.3 -39.1 -41.4 2.9 -22.0 137 141 A V H > S+ 0 0 118 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.920 110.8 49.0 -64.9 -43.1 -44.0 3.4 -19.2 138 142 A L H > S+ 0 0 7 1,-0.2 4,-1.9 2,-0.2 -40,-0.4 0.934 110.4 51.4 -60.2 -47.4 -43.4 7.2 -19.3 139 143 A S H X S+ 0 0 13 -4,-2.5 4,-2.1 -7,-0.5 -1,-0.2 0.845 106.0 55.4 -59.6 -36.4 -43.7 7.2 -23.1 140 144 A A H X S+ 0 0 46 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.937 105.0 51.7 -63.6 -46.6 -47.0 5.3 -22.9 141 145 A S H X S+ 0 0 27 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.903 108.6 51.6 -58.3 -40.7 -48.5 7.9 -20.6 142 146 A F H X S+ 0 0 8 -4,-1.9 4,-2.6 1,-0.2 5,-0.3 0.945 108.1 52.2 -61.1 -43.8 -47.5 10.6 -23.0 143 147 A D H X S+ 0 0 11 -4,-2.1 4,-1.6 1,-0.2 33,-0.2 0.891 110.1 49.0 -56.3 -42.6 -49.2 8.6 -25.8 144 148 A T H X S+ 0 0 75 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.865 110.8 50.6 -64.4 -40.5 -52.4 8.4 -23.8 145 149 A L H X S+ 0 0 2 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.915 111.0 45.6 -67.5 -45.9 -52.3 12.2 -23.1 146 150 A M H X S+ 0 0 25 -4,-2.6 4,-1.3 1,-0.2 -1,-0.2 0.856 109.9 57.3 -67.1 -31.0 -51.9 13.2 -26.7 147 151 A S H X S+ 0 0 29 -4,-1.6 4,-0.9 -5,-0.3 3,-0.4 0.930 109.0 45.2 -62.8 -43.2 -54.6 10.8 -27.5 148 152 A H H >X S+ 0 0 16 -4,-1.9 4,-2.2 1,-0.2 3,-0.6 0.895 104.0 62.3 -66.6 -40.8 -56.9 12.6 -25.1 149 153 A H H 3X S+ 0 0 17 -4,-2.5 4,-3.1 1,-0.2 5,-0.4 0.828 97.9 60.2 -55.1 -30.1 -55.8 16.0 -26.4 150 154 A L H 3X S+ 0 0 21 -4,-1.3 4,-2.2 -3,-0.4 -1,-0.2 0.916 106.1 44.1 -63.8 -45.6 -57.3 14.9 -29.8 151 155 A E H << S+ 0 0 140 -4,-0.9 4,-0.3 -3,-0.6 -2,-0.2 0.905 116.4 49.9 -64.1 -42.5 -60.8 14.4 -28.3 152 156 A L H < S+ 0 0 54 -4,-2.2 -2,-0.2 1,-0.1 -1,-0.2 0.926 129.0 14.4 -61.8 -49.7 -60.4 17.8 -26.5 153 157 A D H < S+ 0 0 20 -4,-3.1 166,-0.9 -5,-0.2 167,-0.5 0.764 117.8 58.4-104.3 -29.7 -59.2 19.9 -29.4 154 158 A Y >< + 0 0 7 -4,-2.2 3,-2.9 -5,-0.4 4,-0.2 0.202 65.4 158.3 -92.0 19.4 -59.9 18.1 -32.7 155 159 A T T 3 S+ 0 0 83 -4,-0.3 -4,-0.1 1,-0.3 -3,-0.0 -0.170 75.3 4.6 -47.5 115.3 -63.7 17.7 -32.3 156 160 A G T >> S+ 0 0 47 162,-0.1 4,-1.7 161,-0.0 3,-1.0 0.471 83.5 140.0 86.4 3.9 -65.2 17.3 -35.7 157 161 A I H <> + 0 0 11 -3,-2.9 4,-0.6 1,-0.2 -2,-0.1 0.763 60.0 71.4 -48.4 -32.3 -61.9 17.2 -37.5 158 162 A A H 34 S+ 0 0 28 -4,-0.2 5,-0.4 1,-0.2 3,-0.4 0.921 110.4 25.4 -51.3 -55.4 -63.2 14.4 -39.8 159 163 A A H <4 S+ 0 0 87 -3,-1.0 -1,-0.2 1,-0.2 -2,-0.2 0.762 101.7 82.4 -84.8 -29.0 -65.6 16.6 -41.8 160 164 A K H < S+ 0 0 91 -4,-1.7 2,-0.3 2,-0.1 -1,-0.2 0.642 101.9 30.1 -54.2 -15.4 -63.9 20.0 -41.4 161 165 A Y S < S- 0 0 24 -4,-0.6 2,-1.4 -3,-0.4 3,-0.3 -0.953 87.7-106.1-142.6 160.3 -61.5 19.1 -44.2 162 166 A D + 0 0 100 -2,-0.3 -3,-0.1 1,-0.2 -4,-0.1 -0.642 51.3 151.7 -93.2 83.2 -61.6 17.0 -47.4 163 167 A W > + 0 0 0 -2,-1.4 3,-3.7 -5,-0.4 4,-0.5 0.930 62.4 66.1 -73.9 -52.5 -59.5 14.0 -46.4 164 168 A A G > S+ 0 0 50 1,-0.3 3,-1.2 -3,-0.3 -1,-0.2 0.809 91.4 66.5 -41.2 -37.8 -61.0 11.4 -48.7 165 169 A A G 3 S+ 0 0 73 1,-0.2 -1,-0.3 2,-0.1 -2,-0.1 0.508 92.8 63.6 -66.9 -1.6 -59.7 13.4 -51.7 166 170 A L G < S- 0 0 24 -3,-3.7 2,-2.6 1,-0.1 67,-0.3 0.731 79.0-162.9 -93.7 -26.2 -56.1 12.5 -50.5 167 171 A G S < S+ 0 0 37 -3,-1.2 24,-2.5 -4,-0.5 2,-0.4 -0.402 74.9 30.1 77.5 -66.5 -56.4 8.7 -50.9 168 172 A H E S-b 191 0B 56 -2,-2.6 65,-1.6 22,-0.2 66,-1.4 -0.985 71.9-169.0-130.2 124.7 -53.4 8.0 -48.7 169 173 A V E -bc 192 234B 0 22,-2.2 24,-2.0 -2,-0.4 2,-0.6 -0.900 11.4-150.6-115.1 140.2 -52.3 10.2 -45.8 170 174 A V E -bc 193 235B 1 64,-3.3 66,-2.8 -2,-0.4 2,-1.3 -0.935 7.8-153.2-109.7 115.0 -49.0 10.1 -43.8 171 175 A D E > -bc 194 236B 3 22,-2.4 24,-2.2 -2,-0.6 3,-1.9 -0.734 14.3-154.1 -89.9 93.4 -49.4 11.2 -40.2 172 176 A V E 3 S+b 195 0B 0 64,-1.8 66,-0.4 -2,-1.3 24,-0.2 -0.580 83.6 2.6 -71.4 110.8 -45.8 12.4 -39.5 173 177 A G T 3 S+ 0 0 0 22,-3.1 -1,-0.3 -2,-0.7 23,-0.2 0.748 87.4 160.9 81.3 26.9 -45.3 12.1 -35.8 174 178 A G X - 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