==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-FEB-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 23-MAR-09 2WDA . COMPND 2 MOLECULE: PUTATIVE SECRETED LYASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES VIOLACEORUBER; . AUTHOR Z.H.ELMABROUK,E.J.TAYLOR,F.VINCENT,N.L.SMITH,J.P.TURKENBURG, . 742 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25390.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 531 71.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 180 24.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 11 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 49 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 89 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 185 24.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 1.5 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 1 1 0 0 0 1 1 1 2 0 1 1 2 3 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 6 3 3 4 5 6 2 1 1 1 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 3 2 1 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 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 24 A A > 0 0 53 0, 0.0 4,-2.1 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 -45.0 12.8 42.8 10.1 2 25 A D H > + 0 0 119 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.714 360.0 60.3 -56.4 -30.4 10.7 39.6 9.5 3 26 A P H > S+ 0 0 60 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.952 112.4 41.7 -68.4 -39.0 13.5 37.2 8.6 4 27 A Y H > S+ 0 0 29 -3,-0.4 4,-2.5 2,-0.2 -2,-0.2 0.899 115.6 48.8 -63.7 -44.1 15.0 37.8 12.1 5 28 A D H X S+ 0 0 48 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.910 111.3 50.8 -63.8 -40.4 11.6 37.7 13.8 6 29 A A H X S+ 0 0 34 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.925 110.5 48.3 -62.3 -44.6 10.8 34.5 12.0 7 30 A L H X S+ 0 0 7 -4,-2.0 4,-3.0 2,-0.2 -2,-0.2 0.918 111.6 51.5 -62.2 -39.2 14.1 32.8 13.1 8 31 A R H X S+ 0 0 23 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.930 111.0 46.7 -65.4 -44.3 13.5 34.0 16.7 9 32 A R H X S+ 0 0 154 -4,-2.5 4,-1.8 2,-0.2 -1,-0.2 0.902 111.3 51.6 -62.6 -41.6 10.0 32.5 16.7 10 33 A R H X S+ 0 0 121 -4,-2.3 4,-2.0 1,-0.2 3,-0.2 0.938 108.0 52.7 -66.0 -40.2 11.4 29.3 15.2 11 34 A W H X S+ 0 0 3 -4,-3.0 4,-2.3 1,-0.2 -1,-0.2 0.899 108.3 51.3 -59.4 -38.5 14.0 29.1 18.0 12 35 A L H X>S+ 0 0 39 -4,-2.0 4,-2.8 2,-0.2 5,-0.5 0.851 106.4 53.6 -67.6 -32.8 11.3 29.4 20.6 13 36 A G H X5S+ 0 0 25 -4,-1.8 4,-1.3 -3,-0.2 -1,-0.2 0.922 113.2 43.4 -66.7 -40.3 9.3 26.6 19.0 14 37 A I H <5S+ 0 0 11 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.868 122.8 38.2 -69.3 -38.3 12.4 24.4 19.2 15 38 A T H <5S+ 0 0 15 -4,-2.3 338,-0.3 -5,-0.2 -2,-0.2 0.806 128.7 26.1 -86.5 -33.6 13.2 25.5 22.7 16 39 A L H <5S- 0 0 15 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.2 0.540 107.6-117.4-116.7 -14.1 9.9 25.9 24.4 17 40 A G << - 0 0 17 -4,-1.3 2,-0.3 -5,-0.5 336,-0.1 0.186 21.3-131.7 92.8 159.3 7.8 23.4 22.4 18 41 A T + 0 0 104 335,-0.2 -1,-0.0 334,-0.1 -5,-0.0 -0.997 66.3 20.6-155.2 137.3 4.8 23.4 20.2 19 42 A G S S+ 0 0 81 -2,-0.3 2,-0.3 1,-0.3 -1,-0.1 0.912 83.2 116.5 68.8 47.0 1.5 21.7 19.6 20 43 A Y - 0 0 46 -3,-0.1 -1,-0.3 7,-0.0 3,-0.1 -0.925 67.5-113.4-133.7 162.8 0.9 20.1 22.9 21 44 A D > - 0 0 95 -2,-0.3 3,-1.8 1,-0.1 7,-0.2 -0.891 17.0-155.7-100.2 114.4 -1.9 20.6 25.5 22 45 A P T 3 S+ 0 0 36 0, 0.0 9,-0.2 0, 0.0 -1,-0.1 0.695 95.0 60.4 -62.6 -19.2 -0.4 22.1 28.8 23 46 A A T 3 S+ 0 0 77 4,-0.1 2,-0.1 2,-0.1 6,-0.1 0.741 90.8 88.0 -76.9 -23.4 -3.3 20.6 30.7 24 47 A A S <> S- 0 0 36 -3,-1.8 4,-2.9 4,-0.1 3,-0.1 -0.415 85.2 -78.8 -76.2 150.2 -2.2 17.1 29.6 25 48 A E T 4 S+ 0 0 120 1,-0.3 -4,-0.1 2,-0.2 -1,-0.1 -0.659 109.1 20.8 -81.3 146.1 0.2 14.9 31.6 26 49 A P T > S+ 0 0 21 0, 0.0 4,-1.9 0, 0.0 -1,-0.3 -0.993 123.4 54.8 -92.8 0.7 3.1 14.9 31.7 27 50 A Y H > S+ 0 0 23 2,-0.2 4,-3.1 -6,-0.2 5,-0.3 0.915 105.1 58.2 -47.8 -45.8 3.4 18.5 30.4 28 51 A A H X S+ 0 0 22 -4,-2.9 4,-2.3 1,-0.3 -1,-0.2 0.911 109.8 40.5 -59.9 -48.2 1.1 19.7 33.2 29 52 A S H > S+ 0 0 46 2,-0.2 4,-2.3 1,-0.2 -1,-0.3 0.838 114.5 51.6 -70.1 -35.4 3.2 18.4 36.0 30 53 A R H X S+ 0 0 25 -4,-1.9 4,-1.5 2,-0.2 -2,-0.2 0.916 113.4 45.9 -67.0 -41.1 6.6 19.5 34.4 31 54 A L H X S+ 0 0 4 -4,-3.1 4,-2.5 2,-0.2 -2,-0.2 0.923 112.5 50.8 -65.9 -40.1 5.2 23.1 33.9 32 55 A A H X S+ 0 0 36 -4,-2.3 4,-2.2 -5,-0.3 -2,-0.2 0.933 110.6 49.1 -64.4 -40.0 3.8 23.1 37.4 33 56 A E H X S+ 0 0 99 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.795 108.3 52.7 -68.5 -30.8 7.2 22.0 38.8 34 57 A T H X S+ 0 0 2 -4,-1.5 4,-3.0 2,-0.2 -1,-0.2 0.925 107.5 52.9 -70.9 -46.4 9.0 24.7 36.7 35 58 A G H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.938 110.1 48.9 -46.4 -54.0 6.6 27.3 38.2 36 59 A E H X S+ 0 0 114 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.887 111.0 47.1 -60.4 -45.0 7.5 26.1 41.7 37 60 A R H X S+ 0 0 33 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.911 113.3 51.3 -61.1 -41.7 11.3 26.2 41.1 38 61 A A H X S+ 0 0 1 -4,-3.0 4,-3.1 2,-0.2 5,-0.2 0.930 106.3 53.7 -57.9 -48.6 10.9 29.7 39.6 39 62 A R H X S+ 0 0 112 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.908 113.2 43.2 -56.7 -43.7 8.9 30.9 42.7 40 63 A E H X S+ 0 0 136 -4,-1.9 4,-1.5 2,-0.2 -1,-0.2 0.827 111.8 53.0 -75.9 -31.7 11.7 29.7 45.0 41 64 A H H X S+ 0 0 6 -4,-2.2 4,-1.2 2,-0.2 -2,-0.2 0.945 111.0 47.9 -66.2 -43.3 14.5 31.1 42.7 42 65 A R H >< S+ 0 0 80 -4,-3.1 3,-0.8 1,-0.2 -2,-0.2 0.950 110.1 52.4 -55.5 -49.7 12.7 34.5 42.8 43 66 A A H 3< S+ 0 0 85 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.818 116.6 38.6 -62.0 -29.3 12.3 34.3 46.6 44 67 A T H 3< S+ 0 0 57 -4,-1.5 -1,-0.2 -3,-0.2 -2,-0.2 0.503 79.1 124.0-104.5 -7.6 16.1 33.7 47.1 45 68 A M << + 0 0 13 -4,-1.2 8,-0.2 -3,-0.8 7,-0.0 -0.324 33.6 176.9 -56.3 135.6 17.8 35.9 44.5 46 69 A A - 0 0 39 6,-2.9 -1,-0.1 2,-0.1 5,-0.1 -0.630 18.9-147.6-148.8 86.3 20.2 38.2 46.3 47 70 A P + 0 0 42 0, 0.0 5,-0.2 0, 0.0 51,-0.0 -0.268 29.4 157.7 -60.6 131.5 22.3 40.5 44.2 48 71 A T B > -A 51 0A 55 3,-2.0 3,-1.2 5,-0.0 57,-0.1 -0.916 58.4 -96.2-143.7 166.5 25.8 41.2 45.6 49 72 A P T 3 S+ 0 0 109 0, 0.0 3,-0.1 0, 0.0 9,-0.0 0.704 124.0 31.6 -59.5 -14.7 29.0 42.4 43.9 50 73 A T T 3 S+ 0 0 92 1,-0.2 8,-2.0 7,-0.0 9,-0.3 0.254 122.8 19.1-128.1 12.2 30.1 38.8 43.7 51 74 A S B < -AB 48 57A 12 -3,-1.2 -3,-2.0 6,-0.2 -1,-0.2 -0.968 43.4-151.4-170.8 161.8 27.0 36.5 43.3 52 75 A L S S+ 0 0 0 4,-0.6 -6,-2.9 1,-0.4 -1,-0.1 0.507 92.7 32.2-118.8 -19.9 23.5 36.5 42.3 53 76 A W S > S- 0 0 1 3,-0.4 3,-1.8 -8,-0.2 -1,-0.4 -0.988 99.1 -98.2-133.4 141.8 22.3 33.6 44.5 54 77 A P T 3 S+ 0 0 84 0, 0.0 -2,-0.0 0, 0.0 -3,-0.0 -0.302 109.5 23.0 -62.6 148.1 23.9 32.9 47.9 55 78 A G T 3 S+ 0 0 72 1,-0.0 -4,-0.0 -4,-0.0 8,-0.0 0.343 105.0 94.7 77.4 -3.1 26.6 30.1 47.9 56 79 A H < - 0 0 48 -3,-1.8 -4,-0.6 7,-0.1 -3,-0.4 -0.539 57.0-177.4-123.6 66.9 27.1 30.8 44.1 57 80 A P B -B 51 0A 57 0, 0.0 6,-0.4 0, 0.0 -6,-0.2 -0.212 36.7-120.9 -62.9 155.7 30.0 33.2 43.7 58 81 A F S S+ 0 0 8 -8,-2.0 6,-0.2 1,-0.2 -7,-0.1 0.457 91.3 90.8 -80.9 -5.1 31.1 34.5 40.2 59 82 A D S S+ 0 0 107 -9,-0.3 -1,-0.2 1,-0.1 56,-0.1 -0.921 79.5 42.9-135.1 113.2 34.4 33.0 40.9 60 83 A P S > S- 0 0 84 0, 0.0 3,-2.5 0, 0.0 4,-0.2 0.369 101.5-131.2 -64.0 154.2 34.6 30.3 39.9 61 84 A P T >> S+ 0 0 4 0, 0.0 3,-1.6 0, 0.0 4,-1.3 0.679 97.8 82.6 -62.3 -10.4 32.8 31.3 36.7 62 85 A A H 3> S+ 0 0 41 1,-0.3 4,-2.7 2,-0.2 5,-0.2 0.801 82.0 66.8 -57.6 -21.4 30.4 28.3 37.1 63 86 A G H <> S+ 0 0 6 -3,-2.5 4,-1.2 -6,-0.4 -1,-0.3 0.761 97.3 51.4 -73.1 -26.3 28.5 30.7 39.5 64 87 A I H <> S+ 0 0 1 -3,-1.6 4,-2.5 -4,-0.2 -1,-0.2 0.904 112.7 43.6 -67.9 -50.5 27.7 33.0 36.5 65 88 A T H X S+ 0 0 18 -4,-1.3 4,-3.3 1,-0.2 -2,-0.2 0.906 110.4 58.0 -64.1 -38.9 26.2 30.2 34.4 66 89 A F H X S+ 0 0 18 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.926 107.3 46.9 -54.3 -47.1 24.5 28.9 37.5 67 90 A A H X S+ 0 0 2 -4,-1.2 4,-2.2 1,-0.2 -2,-0.2 0.934 111.4 49.5 -64.9 -44.0 22.8 32.3 37.8 68 91 A Y H X S+ 0 0 3 -4,-2.5 4,-2.9 2,-0.2 -2,-0.2 0.912 106.8 58.1 -60.9 -38.0 21.8 32.3 34.1 69 92 A G H X S+ 0 0 24 -4,-3.3 4,-2.1 1,-0.2 -2,-0.2 0.938 108.6 44.2 -58.1 -46.0 20.4 28.8 34.5 70 93 A R H X S+ 0 0 35 -4,-2.2 4,-2.8 2,-0.2 -1,-0.2 0.894 110.7 53.2 -65.9 -37.0 18.0 30.0 37.2 71 94 A L H X S+ 0 0 0 -4,-2.2 4,-3.1 2,-0.2 -2,-0.2 0.876 107.8 54.1 -63.5 -36.4 17.0 33.1 35.2 72 95 A W H X S+ 0 0 28 -4,-2.9 4,-2.9 2,-0.2 -2,-0.2 0.944 107.2 48.2 -63.0 -46.6 16.2 30.7 32.4 73 96 A T H X S+ 0 0 16 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.929 112.9 49.7 -56.4 -43.2 13.9 28.6 34.7 74 97 A M H X S+ 0 0 0 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.946 109.8 51.4 -57.4 -45.5 12.3 32.0 35.8 75 98 A T H X S+ 0 0 0 -4,-3.1 4,-3.0 1,-0.2 5,-0.3 0.941 109.4 49.4 -59.6 -48.2 11.9 32.9 32.1 76 99 A E H X S+ 0 0 13 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.882 110.0 50.9 -52.8 -45.8 10.2 29.5 31.4 77 100 A A H < S+ 0 0 0 -4,-2.4 8,-0.4 -43,-0.2 -1,-0.2 0.888 112.9 48.1 -59.2 -40.2 7.9 30.1 34.3 78 101 A Y H < S+ 0 0 24 -4,-2.3 9,-2.4 8,-0.2 -2,-0.2 0.909 120.2 32.6 -69.7 -45.3 7.1 33.5 32.9 79 102 A V H < S+ 0 0 41 -4,-3.0 2,-0.4 7,-0.2 -2,-0.2 0.681 101.0 80.9 -93.7 -15.8 6.4 32.5 29.3 80 103 A Q S >< S- 0 0 18 -4,-2.4 3,-0.7 -5,-0.3 5,-0.3 -0.780 74.3-124.9 -95.5 137.9 4.9 29.1 29.4 81 104 A E T 3 S+ 0 0 125 -2,-0.4 -2,-0.1 1,-0.2 6,-0.0 -0.265 91.0 38.4 -54.7 155.0 1.3 28.4 30.2 82 105 A G T 3 S+ 0 0 41 1,-0.1 -1,-0.2 4,-0.1 -47,-0.1 0.437 83.1 104.7 84.7 2.8 0.5 26.0 33.1 83 106 A T S < S- 0 0 2 -3,-0.7 -2,-0.1 -6,-0.2 -1,-0.1 0.662 85.0-122.0 -92.6 -15.8 3.3 27.2 35.4 84 107 A G S S+ 0 0 65 -49,-0.1 -3,-0.1 -7,-0.1 -6,-0.1 0.510 104.8 61.3 87.0 4.6 1.2 29.2 37.9 85 108 A A > + 0 0 11 -8,-0.4 3,-1.8 -5,-0.3 2,-0.1 0.207 64.6 148.9-147.0 9.2 3.3 32.3 37.0 86 109 A T T 3 S- 0 0 54 1,-0.3 -8,-0.2 -6,-0.1 -7,-0.2 -0.300 80.3 -4.3 -54.4 121.6 2.7 32.9 33.3 87 110 A G T 3 S+ 0 0 41 -9,-2.4 -1,-0.3 1,-0.2 -9,-0.1 0.780 86.3 160.7 67.3 25.6 2.9 36.6 32.5 88 111 A D X> - 0 0 56 -3,-1.8 4,-2.3 1,-0.1 3,-0.7 -0.739 33.2-151.1 -82.0 117.9 3.4 37.6 36.1 89 112 A P H 3> S+ 0 0 98 0, 0.0 4,-2.3 0, 0.0 -1,-0.1 0.762 94.1 55.9 -64.2 -27.9 4.9 41.2 36.1 90 113 A A H 3> S+ 0 0 41 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.811 107.8 47.2 -72.0 -34.9 6.7 40.6 39.4 91 114 A L H <> S+ 0 0 3 -3,-0.7 4,-2.4 2,-0.2 3,-0.3 0.946 111.7 53.4 -65.0 -49.4 8.5 37.5 38.0 92 115 A L H X S+ 0 0 23 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.902 107.3 50.8 -50.7 -46.5 9.3 39.6 34.9 93 116 A A H X S+ 0 0 57 -4,-2.3 4,-2.8 1,-0.2 -1,-0.2 0.865 109.6 49.6 -60.2 -42.5 10.8 42.4 37.1 94 117 A D H X S+ 0 0 26 -4,-1.5 4,-2.3 -3,-0.3 -1,-0.2 0.867 109.1 51.4 -69.8 -34.6 13.1 39.9 39.0 95 118 A I H X S+ 0 0 0 -4,-2.4 4,-3.0 2,-0.2 5,-0.2 0.978 112.6 46.6 -59.5 -49.8 14.3 38.3 35.8 96 119 A L H X S+ 0 0 26 -4,-2.4 4,-3.2 1,-0.3 5,-0.3 0.933 111.0 52.8 -63.0 -41.3 15.2 41.8 34.5 97 120 A R H X S+ 0 0 123 -4,-2.8 4,-3.0 -5,-0.2 -1,-0.3 0.933 110.7 46.6 -56.9 -45.7 16.8 42.6 37.8 98 121 A G H X S+ 0 0 0 -4,-2.3 4,-2.8 2,-0.2 5,-0.2 0.930 113.2 48.8 -68.1 -41.5 19.0 39.5 37.6 99 122 A L H X S+ 0 0 13 -4,-3.0 4,-3.0 2,-0.2 -1,-0.2 0.935 112.6 47.3 -60.5 -48.2 20.0 40.1 34.0 100 123 A D H X S+ 0 0 63 -4,-3.2 4,-2.9 1,-0.2 -2,-0.2 0.936 112.1 51.2 -63.4 -39.6 20.9 43.7 34.7 101 124 A H H X S+ 0 0 30 -4,-3.0 4,-2.8 -5,-0.3 5,-0.4 0.914 112.2 45.4 -63.9 -41.6 22.8 42.6 37.8 102 125 A L H X>S+ 0 0 0 -4,-2.8 5,-2.4 1,-0.2 4,-1.8 0.911 113.8 49.8 -66.8 -41.0 24.8 40.0 35.8 103 126 A S H <5S+ 0 0 46 -4,-3.0 -2,-0.2 -5,-0.2 -1,-0.2 0.917 116.1 43.2 -62.5 -38.8 25.4 42.6 33.0 104 127 A A H <5S+ 0 0 75 -4,-2.9 -2,-0.2 -5,-0.2 -1,-0.2 0.920 124.3 30.4 -69.6 -46.2 26.6 45.2 35.6 105 128 A T H <5S- 0 0 43 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.2 0.900 133.2 -13.1 -92.0 -39.3 28.8 43.0 37.8 106 129 A V T <5S+ 0 0 5 -4,-1.8 2,-1.7 -5,-0.4 -3,-0.2 0.745 107.7 69.0-135.4 -48.4 30.3 40.2 35.7 107 130 A Y S S- 0 0 39 -2,-1.7 3,-1.7 -3,-0.1 39,-0.0 -0.945 85.9 -87.8-159.1 170.7 30.3 42.3 30.2 109 132 A P T 3 S+ 0 0 71 0, 0.0 -2,-0.1 0, 0.0 41,-0.0 0.479 113.8 63.8 -77.6 0.1 33.1 43.5 28.1 110 133 A A T 3 S+ 0 0 86 2,-0.1 2,-0.4 -4,-0.0 -3,-0.1 0.584 82.2 99.2 -89.7 -9.1 35.3 45.0 30.8 111 134 A T < - 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0 0 22 -5,-2.5 3,-1.6 -6,-0.2 4,-1.4 -0.843 29.4-171.8-120.0 88.2 23.4 40.9 12.3 189 212 A P H 3> S+ 0 0 61 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.804 83.7 60.5 -53.8 -35.1 23.2 38.8 9.1 190 213 A A H 3> S+ 0 0 79 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.792 101.9 51.8 -64.6 -32.4 27.0 38.4 9.0 191 214 A K H <> S+ 0 0 28 -3,-1.6 4,-2.4 2,-0.2 -1,-0.2 0.890 110.6 49.2 -69.0 -42.4 27.0 36.7 12.5 192 215 A I H X S+ 0 0 0 -4,-1.4 4,-2.5 1,-0.2 -2,-0.2 0.930 112.7 46.0 -60.0 -47.9 24.3 34.2 11.3 193 216 A A H X S+ 0 0 22 -4,-2.4 4,-3.0 2,-0.2 -1,-0.2 0.855 111.8 53.2 -61.7 -37.8 26.3 33.4 8.1 194 217 A L H X S+ 0 0 47 -4,-1.7 4,-2.9 -5,-0.2 -2,-0.2 0.963 109.3 47.5 -63.4 -44.8 29.4 33.1 10.2 195 218 A A H X S+ 0 0 2 -4,-2.4 4,-0.6 1,-0.2 -2,-0.2 0.899 114.2 47.4 -66.1 -41.3 27.8 30.6 12.5 196 219 A R H >X S+ 0 0 54 -4,-2.5 3,-1.4 1,-0.2 4,-0.5 0.958 114.5 46.1 -64.0 -48.9 26.4 28.6 9.6 197 220 A D H >< S+ 0 0 87 -4,-3.0 3,-1.7 1,-0.3 -2,-0.2 0.904 105.4 60.5 -62.2 -36.1 29.8 28.5 7.8 198 221 A A H 3< S+ 0 0 6 -4,-2.9 -1,-0.3 1,-0.3 -2,-0.2 0.598 92.6 67.3 -72.5 -12.4 31.7 27.6 10.9 199 222 A L H XX S+ 0 0 0 -3,-1.4 3,-2.2 -4,-0.6 4,-0.6 0.763 80.7 82.5 -71.0 -27.3 29.7 24.4 11.2 200 223 A S G X< S+ 0 0 36 -3,-1.7 3,-1.3 -4,-0.5 -1,-0.2 0.825 82.9 55.1 -51.5 -46.2 31.3 23.0 8.0 201 224 A P G 34 S+ 0 0 51 0, 0.0 -1,-0.3 0, 0.0 -32,-0.1 0.634 98.2 66.6 -69.2 -5.9 34.5 21.6 9.4 202 225 A V G <4 S+ 0 0 3 -3,-2.2 10,-0.4 -4,-0.1 -2,-0.2 0.763 94.3 62.1 -76.2 -24.7 32.5 19.6 11.9 203 226 A F S << S+ 0 0 1 -3,-1.3 -1,-0.1 -4,-0.6 -3,-0.1 0.921 76.9 84.9 -77.2 -49.2 31.1 17.3 9.2 204 227 A P S S- 0 0 69 0, 0.0 8,-0.3 0, 0.0 2,-0.1 -0.193 83.7-105.5 -58.2 148.0 33.9 15.4 7.4 205 228 A Y - 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