==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 01-SEP-05 2AWP . COMPND 2 MOLECULE: IRON SUPER-OXIDE DISMUTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PLASMODIUM KNOWLESI; . AUTHOR A.DONG,Y.ZHAO,J.LEW,Z.ALAM,M.MELONE,G.WASNEY,M.VEDADI, . 392 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17168.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 280 71.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 37 9.4 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 0.5 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 . 2 0.5 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 . 11 2.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 44 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 163 41.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 3.8 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 4 0 0 2 2 2 2 1 1 2 2 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 2 0 0 0 0 1 3 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 . 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 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 M 0 0 189 0, 0.0 39,-0.1 0, 0.0 36,-0.0 0.000 360.0 360.0 360.0 107.8 25.5 84.8 -1.7 2 2 A A + 0 0 78 38,-0.1 2,-0.5 47,-0.1 48,-0.0 0.771 360.0 55.8 -35.2 -46.9 25.2 81.1 -1.9 3 3 A I S S- 0 0 17 33,-0.2 2,-0.4 49,-0.1 37,-0.1 -0.856 72.1-165.8-101.2 125.7 28.0 80.4 0.7 4 4 A I - 0 0 138 -2,-0.5 -2,-0.0 33,-0.0 29,-0.0 -0.921 25.4-116.8-110.8 133.7 27.6 82.0 4.2 5 5 A L - 0 0 36 -2,-0.4 2,-0.1 28,-0.1 28,-0.1 -0.505 36.2-128.1 -60.8 113.3 30.3 82.4 6.8 6 6 A P - 0 0 60 0, 0.0 -1,-0.1 0, 0.0 2,-0.0 -0.439 26.8-107.9 -66.9 142.2 29.2 80.3 9.8 7 7 A K - 0 0 175 1,-0.1 2,-0.2 -2,-0.1 0, 0.0 -0.315 28.0-108.7 -62.2 146.1 29.2 82.1 13.1 8 8 A L - 0 0 25 2,-0.1 -1,-0.1 1,-0.1 4,-0.1 -0.522 22.8-132.8 -61.8 146.1 31.7 81.4 15.8 9 9 A K S S+ 0 0 148 -2,-0.2 2,-0.3 2,-0.1 -1,-0.1 0.248 85.5 31.6 -88.8 11.5 30.1 79.7 18.8 10 10 A Y S S- 0 0 30 72,-0.1 -2,-0.1 5,-0.0 5,-0.1 -0.947 98.0 -69.9-159.3 167.7 31.7 82.1 21.2 11 11 A A > - 0 0 56 -2,-0.3 3,-2.1 1,-0.1 4,-0.3 -0.242 44.4-110.9 -70.1 157.3 33.0 85.6 21.6 12 12 A L T 3 S+ 0 0 42 1,-0.3 12,-0.3 2,-0.1 3,-0.3 0.740 121.3 42.8 -61.5 -27.1 36.0 86.9 19.7 13 13 A N T > S+ 0 0 84 1,-0.2 3,-1.4 2,-0.1 -1,-0.3 0.273 84.9 102.0 -98.3 6.8 38.0 87.2 23.0 14 14 A A T < S+ 0 0 26 -3,-2.1 70,-0.2 1,-0.3 -1,-0.2 0.686 80.3 50.1 -72.0 -17.4 36.7 83.8 24.3 15 15 A L T >> S+ 0 0 0 -3,-0.3 4,-1.8 -4,-0.3 3,-0.9 0.374 93.3 159.2 -99.6 6.2 40.0 81.9 23.5 16 16 A S T <4 + 0 0 62 -3,-1.4 4,-0.1 1,-0.3 -3,-0.0 -0.367 53.9 15.1 -76.3 150.7 42.2 84.5 25.2 17 17 A P T 34 S+ 0 0 102 0, 0.0 -1,-0.3 0, 0.0 3,-0.3 -0.960 125.4 56.5 -86.7 6.7 45.0 84.5 26.3 18 18 A H T <4 S+ 0 0 49 -3,-0.9 2,-0.4 1,-0.3 -2,-0.2 0.912 131.9 7.2 -62.6 -48.0 45.7 81.2 24.4 19 19 A I S < S- 0 0 0 -4,-1.8 -1,-0.3 159,-0.1 -4,-0.2 -0.976 98.1-124.0-131.0 125.5 44.8 82.8 21.1 20 20 A S > - 0 0 22 -2,-0.4 4,-2.4 -3,-0.3 5,-0.2 -0.112 14.6-116.2 -68.4 158.3 44.1 86.6 21.4 21 21 A E H > S+ 0 0 101 2,-0.2 4,-3.1 1,-0.2 5,-0.1 0.905 118.8 56.8 -55.6 -43.2 41.1 88.5 20.4 22 22 A E H > S+ 0 0 82 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.932 106.8 48.9 -54.5 -47.8 43.3 90.3 17.8 23 23 A T H > S+ 0 0 0 2,-0.2 4,-3.4 1,-0.2 5,-0.3 0.960 111.8 47.6 -56.3 -53.2 44.1 86.9 16.3 24 24 A L H X>S+ 0 0 0 -4,-2.4 4,-2.6 -12,-0.3 5,-0.8 0.908 110.0 55.8 -55.5 -41.9 40.5 85.9 16.2 25 25 A N H X>S+ 0 0 64 -4,-3.1 4,-1.4 3,-0.2 5,-0.7 0.966 117.7 31.5 -55.3 -56.2 39.7 89.3 14.6 26 26 A F H X>S+ 0 0 44 -4,-2.6 5,-2.6 3,-0.2 4,-1.3 0.940 122.9 48.0 -66.0 -45.1 42.2 88.8 11.7 27 27 A H H <>S+ 0 0 0 -4,-3.4 5,-2.8 -5,-0.2 -3,-0.2 0.943 126.2 25.3 -68.2 -47.3 41.8 85.0 11.4 28 28 A Y H <>S+ 0 0 17 -4,-2.6 5,-1.8 -5,-0.3 -3,-0.2 0.950 130.2 36.7 -82.1 -53.1 38.0 84.9 11.4 29 29 A N H << S+ 0 0 5 -4,-2.2 3,-1.5 -5,-0.1 6,-0.7 0.656 78.1 112.2 -86.4 -14.9 31.6 79.8 -8.4 44 44 A K T 3< S+ 0 0 145 -4,-0.8 4,-0.1 -3,-0.3 -3,-0.0 -0.314 86.4 14.1 -51.8 131.3 29.4 82.2 -10.3 45 45 A D T 3 S+ 0 0 151 1,-0.3 -1,-0.3 2,-0.0 -2,-0.1 0.740 110.8 100.0 68.9 26.3 28.8 80.8 -13.9 46 46 A T S X S- 0 0 40 -3,-1.5 3,-1.5 1,-0.0 -1,-0.3 -0.911 88.2-111.0-128.4 160.4 30.0 77.4 -12.9 47 47 A P G > S+ 0 0 103 0, 0.0 3,-0.7 0, 0.0 4,-0.1 0.624 114.0 72.1 -61.6 -12.4 28.2 74.1 -12.0 48 48 A F G > S+ 0 0 38 1,-0.2 3,-1.8 -5,-0.2 8,-0.1 0.718 72.8 88.7 -74.2 -17.8 29.6 74.7 -8.5 49 49 A A G < S+ 0 0 33 -3,-1.5 -1,-0.2 -6,-0.7 -5,-0.1 0.737 96.1 32.9 -52.9 -30.3 27.2 77.6 -8.0 50 50 A T G < S+ 0 0 137 -3,-0.7 -1,-0.3 -4,-0.2 2,-0.2 0.231 98.0 102.4-115.8 11.0 24.4 75.4 -6.6 51 51 A K S < S- 0 0 61 -3,-1.8 2,-0.0 1,-0.1 -3,-0.0 -0.623 75.4-107.7 -89.3 156.4 26.5 72.8 -4.8 52 52 A S > - 0 0 54 -2,-0.2 4,-2.9 1,-0.1 5,-0.2 -0.296 33.2-104.8 -73.6 165.6 27.0 72.8 -1.0 53 53 A L H > S+ 0 0 33 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.918 123.3 49.7 -55.9 -46.4 30.4 73.8 0.5 54 54 A V H > S+ 0 0 58 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.913 111.1 48.1 -61.0 -44.4 31.1 70.1 1.2 55 55 A E H > S+ 0 0 86 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.927 111.7 50.3 -62.3 -43.4 30.2 69.1 -2.4 56 56 A I H X S+ 0 0 0 -4,-2.9 4,-1.7 2,-0.2 3,-0.4 0.955 111.0 49.2 -58.3 -51.2 32.4 71.9 -3.9 57 57 A M H < S+ 0 0 0 -4,-2.7 3,-0.3 1,-0.2 -2,-0.2 0.903 114.5 45.0 -53.2 -48.6 35.3 70.8 -1.7 58 58 A K H < S+ 0 0 108 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.756 122.7 35.8 -68.5 -25.7 35.0 67.1 -2.7 59 59 A E H < S+ 0 0 99 -4,-1.8 -2,-0.2 -3,-0.4 -1,-0.2 0.473 102.7 73.3-113.0 -3.5 34.5 67.9 -6.4 60 60 A S < - 0 0 2 -4,-1.7 2,-0.2 -3,-0.3 -4,-0.0 -0.525 48.9-166.8-107.2 176.4 36.7 70.9 -7.3 61 61 A T >> + 0 0 119 -2,-0.2 4,-1.4 4,-0.0 3,-0.7 -0.835 53.8 25.1-143.5-179.5 40.4 71.7 -7.9 62 62 A G H 3> S- 0 0 47 -2,-0.2 4,-2.5 1,-0.2 5,-0.1 -0.196 122.9 -14.1 64.1-148.3 42.6 74.8 -8.2 63 63 A A H 3> S+ 0 0 55 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.820 135.8 56.6 -60.5 -36.6 41.4 78.1 -6.6 64 64 A I H <> S+ 0 0 31 -3,-0.7 4,-2.9 2,-0.2 5,-0.3 0.952 111.3 43.7 -61.8 -47.6 37.8 76.9 -6.1 65 65 A F H X S+ 0 0 25 -4,-1.4 4,-3.4 2,-0.2 5,-0.4 0.944 111.5 53.6 -60.9 -49.3 39.1 74.0 -4.0 66 66 A N H X S+ 0 0 42 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.928 116.2 38.5 -54.4 -49.1 41.6 76.1 -2.1 67 67 A N H X S+ 0 0 16 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.947 118.2 47.6 -67.4 -51.3 38.9 78.6 -1.1 68 68 A A H X S+ 0 0 0 -4,-2.9 4,-2.0 -5,-0.2 -2,-0.2 0.919 114.6 46.1 -53.1 -50.6 36.1 76.0 -0.4 69 69 A A H X S+ 0 0 0 -4,-3.4 4,-3.4 -5,-0.3 5,-0.3 0.922 111.3 52.6 -66.6 -39.9 38.4 73.7 1.6 70 70 A Q H X S+ 0 0 0 -4,-2.0 4,-2.2 -5,-0.4 5,-0.2 0.897 107.5 51.2 -60.9 -41.3 39.7 76.6 3.6 71 71 A I H X S+ 0 0 1 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.952 115.9 42.1 -57.2 -48.7 36.2 77.8 4.5 72 72 A W H X S+ 0 0 42 -4,-2.0 4,-2.5 1,-0.2 5,-0.2 0.932 114.1 50.8 -65.6 -46.6 35.4 74.2 5.7 73 73 A N H X S+ 0 0 0 -4,-3.4 4,-1.9 1,-0.2 -1,-0.2 0.866 111.3 49.1 -59.2 -40.7 38.7 73.7 7.5 74 74 A H H X S+ 0 0 0 -4,-2.2 4,-2.8 -5,-0.3 -1,-0.2 0.913 109.3 50.1 -70.9 -40.9 38.4 77.0 9.4 75 75 A S H X S+ 0 0 19 -4,-2.0 4,-2.3 -5,-0.2 -2,-0.2 0.924 112.6 47.9 -60.0 -42.0 34.9 76.3 10.5 76 76 A F H X S+ 0 0 14 -4,-2.5 4,-1.2 2,-0.2 80,-0.4 0.846 111.5 52.5 -63.1 -37.8 36.0 72.9 11.8 77 77 A Y H < S+ 0 0 0 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.934 110.2 45.6 -62.7 -49.6 39.0 74.6 13.5 78 78 A W H >< S+ 0 0 3 -4,-2.8 3,-1.4 1,-0.2 -2,-0.2 0.915 114.4 48.7 -61.3 -45.8 36.8 77.2 15.3 79 79 A D H 3< S+ 0 0 28 -4,-2.3 -1,-0.2 1,-0.3 108,-0.2 0.707 100.9 66.1 -66.7 -23.2 34.3 74.4 16.4 80 80 A S T 3< S+ 0 0 0 -4,-1.2 104,-2.8 -3,-0.2 -1,-0.3 0.450 106.5 48.1 -74.7 -3.5 37.3 72.3 17.6 81 81 A M B < +A 183 0A 1 -3,-1.4 102,-0.2 102,-0.3 101,-0.1 -0.791 62.8 152.1-128.5 174.0 37.9 75.0 20.3 82 82 A G > - 0 0 2 100,-1.0 3,-0.7 -2,-0.2 2,-0.1 -0.923 45.2 -81.3 174.0 165.1 36.0 76.9 22.9 83 83 A P T 3 S+ 0 0 47 0, 0.0 -68,-0.1 0, 0.0 3,-0.1 -0.479 113.0 24.6 -75.4 154.8 35.9 78.7 26.2 84 84 A N T 3 S+ 0 0 170 -70,-0.2 2,-0.1 1,-0.2 98,-0.1 0.839 107.7 100.6 62.6 31.1 35.6 76.4 29.3 85 85 A C < + 0 0 38 -3,-0.7 98,-0.2 96,-0.4 99,-0.2 -0.256 37.1 76.5-122.9-148.2 37.1 73.5 27.3 86 86 A G + 0 0 8 97,-2.9 95,-0.2 96,-0.3 99,-0.2 -0.329 57.3 91.4 70.5-158.2 40.6 71.9 27.1 87 87 A G S S- 0 0 50 93,-0.7 -1,-0.1 -2,-0.0 96,-0.1 -0.312 89.4 -12.0 68.1-154.3 41.9 69.6 29.8 88 88 A E S S- 0 0 106 1,-0.1 97,-0.1 -2,-0.0 6,-0.1 -0.513 77.9-104.3 -78.3 146.5 41.4 65.8 29.7 89 89 A P - 0 0 2 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.251 40.8-169.0 -62.6 161.9 39.1 64.3 27.1 90 90 A H > + 0 0 84 4,-0.0 3,-0.5 95,-0.0 4,-0.2 -0.962 43.3 21.1-148.9 160.9 35.7 63.1 28.4 91 91 A G T >> S- 0 0 38 -2,-0.3 3,-1.1 1,-0.2 4,-0.9 -0.358 120.3 -19.7 74.1-158.3 32.9 61.0 27.1 92 92 A E H 3> S+ 0 0 128 1,-0.3 4,-2.0 2,-0.2 3,-0.3 0.829 133.2 58.8 -56.5 -40.3 33.3 58.6 24.2 93 93 A I H <> S+ 0 0 0 -3,-0.5 4,-2.4 1,-0.2 -1,-0.3 0.794 97.9 60.4 -61.7 -33.3 36.5 60.2 22.8 94 94 A K H <> S+ 0 0 66 -3,-1.1 4,-2.0 2,-0.2 -1,-0.2 0.938 109.6 41.5 -58.0 -48.8 38.4 59.7 26.1 95 95 A E H X S+ 0 0 94 -4,-0.9 4,-2.2 -3,-0.3 -2,-0.2 0.901 113.7 52.7 -69.8 -39.2 38.0 55.9 25.9 96 96 A K H X S+ 0 0 22 -4,-2.0 4,-2.3 2,-0.2 38,-0.2 0.878 109.4 49.4 -63.1 -41.7 38.7 55.8 22.1 97 97 A I H X>S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 5,-0.7 0.907 109.0 52.8 -63.5 -44.1 42.0 57.7 22.7 98 98 A Q H X5S+ 0 0 92 -4,-2.0 4,-1.5 -5,-0.2 -2,-0.2 0.940 112.9 45.7 -52.4 -47.4 42.9 55.3 25.4 99 99 A E H <5S+ 0 0 136 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.904 122.1 33.2 -65.3 -42.6 42.3 52.4 23.0 100 100 A D H <5S+ 0 0 38 -4,-2.3 -1,-0.2 -5,-0.1 -2,-0.2 0.689 134.3 22.6 -97.0 -19.9 44.1 53.8 20.0 101 101 A F H <5S- 0 0 23 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.2 0.502 94.9-123.1-121.5 -9.1 47.0 55.8 21.6 102 102 A G S < S- 0 0 37 -6,-0.3 4,-2.0 1,-0.1 5,-0.1 -0.974 74.8-109.1-163.7 157.6 46.7 57.4 26.9 104 104 A F H > S+ 0 0 15 -2,-0.3 4,-3.0 1,-0.2 5,-0.2 0.911 119.1 56.3 -57.9 -43.2 45.7 61.0 26.4 105 105 A N H > S+ 0 0 94 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.878 105.4 50.6 -59.0 -39.2 49.3 62.0 27.1 106 106 A N H > S+ 0 0 74 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.951 112.9 46.0 -60.7 -49.3 50.6 59.8 24.3 107 107 A F H X S+ 0 0 1 -4,-2.0 4,-3.1 1,-0.2 5,-0.2 0.938 112.3 51.1 -57.8 -46.7 48.1 61.3 21.9 108 108 A K H X S+ 0 0 61 -4,-3.0 4,-2.5 1,-0.2 -1,-0.2 0.889 110.7 49.7 -59.0 -43.9 49.0 64.9 23.1 109 109 A N H X S+ 0 0 96 -4,-2.4 4,-1.9 -5,-0.2 -1,-0.2 0.919 114.3 42.2 -61.1 -50.0 52.7 64.2 22.6 110 110 A E H X S+ 0 0 90 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.914 115.4 50.0 -66.7 -43.8 52.4 62.8 19.0 111 111 A F H X S+ 0 0 0 -4,-3.1 4,-2.7 -5,-0.2 5,-0.2 0.926 111.2 48.6 -60.6 -45.1 49.8 65.4 18.0 112 112 A S H X S+ 0 0 22 -4,-2.5 4,-2.7 -5,-0.2 -1,-0.2 0.876 111.1 51.8 -61.4 -40.0 52.1 68.3 19.3 113 113 A N H X S+ 0 0 116 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.924 111.7 45.6 -61.4 -47.9 55.0 66.7 17.4 114 114 A V H X S+ 0 0 36 -4,-2.5 4,-1.0 2,-0.2 -2,-0.2 0.939 114.5 47.8 -60.5 -51.3 53.2 66.5 14.2 115 115 A L H < S+ 0 0 1 -4,-2.7 3,-0.5 1,-0.2 -2,-0.2 0.894 115.1 45.7 -56.4 -45.4 51.8 70.1 14.5 116 116 A C H < S+ 0 0 51 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.806 112.9 51.5 -67.0 -30.8 55.2 71.5 15.4 117 117 A G H < S+ 0 0 59 -4,-1.9 2,-0.2 -5,-0.2 -1,-0.2 0.593 76.6 117.6 -86.8 -11.8 56.9 69.6 12.6 118 118 A H < - 0 0 18 -4,-1.0 2,-0.4 -3,-0.5 4,-0.1 -0.404 57.1-141.8 -68.1 124.5 54.8 70.6 9.7 119 119 A F - 0 0 44 -2,-0.2 2,-0.1 2,-0.1 -1,-0.1 -0.732 62.0 -13.8 -86.6 129.0 56.7 72.6 7.0 120 120 A G S S- 0 0 3 -2,-0.4 2,-0.2 39,-0.1 197,-0.0 -0.364 114.9 -14.2 78.7-161.4 54.9 75.5 5.3 121 121 A S S S+ 0 0 0 39,-0.1 20,-2.8 -2,-0.1 2,-0.3 -0.516 87.5 106.9 -77.2 138.3 51.2 76.1 5.5 122 122 A G E -B 140 0B 0 18,-0.3 37,-2.4 -2,-0.2 38,-0.7 -0.981 51.8-100.0 175.1-162.8 49.0 73.3 6.8 123 123 A W E -BC 139 158B 1 16,-2.3 16,-2.7 -2,-0.3 2,-0.4 -0.990 14.9-141.3-152.2 137.3 46.8 71.5 9.3 124 124 A G E -BC 138 157B 1 33,-2.6 33,-2.0 -2,-0.3 2,-0.4 -0.868 28.4-163.9-101.4 143.3 47.1 68.7 11.9 125 125 A W E -BC 137 156B 0 12,-3.3 12,-1.9 -2,-0.4 2,-0.5 -0.961 27.1-152.1-129.9 143.7 44.1 66.4 12.2 126 126 A L E +BC 136 155B 0 29,-2.4 28,-3.1 -2,-0.4 29,-1.5 -0.978 40.3 174.5 -98.8 128.4 42.7 63.8 14.6 127 127 A V E -BC 135 153B 0 8,-2.6 8,-2.5 -2,-0.5 2,-0.8 -0.960 41.3-127.2-134.8 149.4 40.8 61.5 12.3 128 128 A L E -BC 134 152B 3 24,-2.3 24,-2.7 -2,-0.3 6,-0.2 -0.909 43.7-142.7 -88.9 113.2 38.9 58.2 12.5 129 129 A N E > - 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0 0 25 -2,-0.4 4,-2.3 -3,-0.3 5,-0.2 -0.155 13.0-119.6 -69.1 160.6 60.3 96.7 10.0 218 21 B E H > S+ 0 0 98 2,-0.2 4,-2.3 1,-0.2 -1,-0.1 0.841 117.1 55.7 -62.2 -35.6 63.4 96.1 12.0 219 22 B E H > S+ 0 0 82 2,-0.2 4,-2.4 1,-0.2 5,-0.3 0.941 106.2 50.6 -64.4 -45.8 61.3 93.7 14.2 220 23 B T H > S+ 0 0 1 1,-0.2 4,-3.2 2,-0.2 5,-0.3 0.955 111.2 47.7 -54.4 -50.2 60.4 91.7 11.1 221 24 B L H X>S+ 0 0 0 -4,-2.3 4,-2.6 -12,-0.3 5,-0.6 0.868 109.1 56.1 -60.3 -37.5 64.1 91.5 10.0 222 25 B N H X>S+ 0 0 76 -4,-2.3 4,-1.8 3,-0.2 5,-0.6 0.967 116.4 33.4 -58.0 -55.3 65.0 90.4 13.5 223 26 B F H X>S+ 0 0 50 -4,-2.4 5,-2.5 3,-0.2 4,-1.6 0.932 120.9 49.9 -65.2 -45.2 62.6 87.4 13.6 224 27 B H H <>S+ 0 0 0 -4,-3.2 5,-2.7 -5,-0.3 -3,-0.2 0.914 124.3 27.6 -64.4 -44.4 63.0 86.6 9.9 225 28 B Y H <>S+ 0 0 19 -4,-2.6 5,-2.1 -5,-0.3 -3,-0.2 0.955 128.9 36.9 -84.3 -53.8 66.8 86.6 9.9 226 29 B N H << S+ 0 0 6 -4,-2.2 3,-1.9 -5,-0.1 6,-0.7 0.561 80.4 115.1 -94.9 -11.5 73.3 66.4 7.5 241 44 B K T 3< S+ 0 0 147 -4,-1.3 4,-0.1 1,-0.3 -3,-0.0 -0.359 88.4 15.4 -51.9 130.4 75.8 65.4 10.2 242 45 B D T 3 S+ 0 0 144 1,-0.3 -1,-0.3 2,-0.0 -2,-0.1 0.710 109.1 101.7 75.3 16.5 76.8 61.8 9.4 243 46 B T S X S- 0 0 45 -3,-1.9 3,-1.4 1,-0.0 -1,-0.3 -0.834 88.9-107.3-121.1 165.8 75.5 61.9 5.9 244 47 B P G > S+ 0 0 101 0, 0.0 3,-0.7 0, 0.0 -4,-0.1 0.598 116.0 72.6 -63.3 -8.9 77.2 62.3 2.5 245 48 B F G > S+ 0 0 38 1,-0.2 3,-1.6 -5,-0.2 8,-0.1 0.716 74.2 81.1 -76.0 -22.9 75.7 65.8 2.6 246 49 B A G < S+ 0 0 47 -3,-1.4 -1,-0.2 -6,-0.7 -5,-0.1 0.687 98.5 39.2 -56.1 -20.6 78.1 67.0 5.3 247 50 B T G < S+ 0 0 132 -3,-0.7 -1,-0.3 -4,-0.2 2,-0.2 0.296 98.6 94.6-115.6 6.9 80.8 67.6 2.7 248 51 B K S < S- 0 0 61 -3,-1.6 2,-0.1 1,-0.1 -3,-0.0 -0.576 77.9-108.5 -96.1 159.4 78.7 69.0 -0.1 249 52 B S > - 0 0 55 -2,-0.2 4,-2.9 1,-0.1 5,-0.2 -0.353 34.3-103.2 -78.5 165.3 78.1 72.8 -0.7 250 53 B L H > S+ 0 0 32 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.900 124.9 49.7 -52.4 -45.8 74.6 74.4 -0.0 251 54 B V H > S+ 0 0 57 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.920 111.8 48.5 -61.4 -44.8 73.8 74.4 -3.8 252 55 B E H > S+ 0 0 89 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.954 113.3 46.7 -62.7 -49.0 74.8 70.6 -4.0 253 56 B I H X S+ 0 0 0 -4,-2.9 4,-1.5 1,-0.2 -2,-0.2 0.931 112.3 51.3 -52.9 -51.5 72.7 69.7 -1.0 254 57 B M H < S+ 0 0 0 -4,-2.8 3,-0.3 1,-0.2 -2,-0.2 0.912 114.4 43.5 -52.5 -46.5 69.8 71.7 -2.4 255 58 B K H < S+ 0 0 112 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.863 120.3 39.4 -71.4 -32.0 70.1 69.9 -5.7 256 59 B E H < S+ 0 0 105 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.436 102.4 78.2-103.7 -3.5 70.5 66.4 -4.4 257 60 B S < - 0 0 5 -4,-1.5 2,-0.2 -3,-0.3 -4,-0.0 -0.534 48.6-170.6-105.9 169.9 68.1 66.3 -1.4 258 61 B T >> + 0 0 122 -2,-0.2 4,-1.8 4,-0.0 3,-0.6 -0.791 55.7 13.9-137.3-176.8 64.4 65.9 -0.8 259 62 B G H 3> S- 0 0 45 -2,-0.2 4,-3.0 1,-0.2 5,-0.2 -0.066 124.6 -6.3 52.9-141.8 62.2 66.2 2.3 260 63 B A H 3> S+ 0 0 46 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.864 135.7 52.2 -55.9 -46.9 63.5 68.0 5.4 261 64 B I H <> S+ 0 0 32 -3,-0.6 4,-2.5 2,-0.2 5,-0.2 0.936 114.3 43.6 -56.7 -46.4 67.1 68.3 4.2 262 65 B F H X S+ 0 0 21 -4,-1.8 4,-3.0 2,-0.2 5,-0.4 0.959 111.3 54.0 -62.4 -52.2 65.8 70.0 1.0 263 66 B N H X S+ 0 0 41 -4,-3.0 4,-1.5 1,-0.2 -2,-0.2 0.902 115.8 38.9 -49.3 -48.6 63.3 72.2 2.8 264 67 B N H X S+ 0 0 6 -4,-2.4 4,-1.6 2,-0.2 -1,-0.2 0.932 117.6 47.0 -69.3 -49.2 66.0 73.6 5.1 265 68 B A H X S+ 0 0 0 -4,-2.5 4,-2.0 -5,-0.2 -2,-0.2 0.911 114.7 46.3 -57.7 -49.2 68.9 73.9 2.5 266 69 B A H X S+ 0 0 0 -4,-3.0 4,-3.2 -5,-0.2 -1,-0.2 0.884 110.4 53.4 -66.4 -37.4 66.8 75.6 -0.1 267 70 B Q H X S+ 0 0 0 -4,-1.5 4,-2.1 -5,-0.4 -1,-0.2 0.826 107.1 52.8 -65.8 -34.4 65.2 78.0 2.5 268 71 B I H X S+ 0 0 1 -4,-1.6 4,-1.9 2,-0.2 -2,-0.2 0.969 115.1 40.5 -61.0 -53.1 68.8 79.0 3.5 269 72 B W H X S+ 0 0 46 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.900 114.8 52.4 -63.2 -45.6 69.7 79.8 -0.1 270 73 B N H X S+ 0 0 0 -4,-3.2 4,-1.9 1,-0.2 -1,-0.2 0.891 109.6 49.3 -58.2 -43.6 66.3 81.4 -0.8 271 74 B H H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.870 109.4 49.9 -69.0 -37.3 66.6 83.8 2.1 272 75 B S H X S+ 0 0 18 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.892 112.0 49.2 -62.9 -40.6 70.1 84.9 1.3 273 76 B F H X S+ 0 0 18 -4,-2.2 4,-1.2 -5,-0.2 80,-0.4 0.889 111.1 51.1 -64.7 -36.4 68.9 85.6 -2.2 274 77 B Y H < S+ 0 0 0 -4,-1.9 3,-0.3 2,-0.2 -2,-0.2 0.935 110.8 46.5 -64.8 -50.2 65.9 87.5 -0.8 275 78 B W H >< S+ 0 0 3 -4,-2.6 3,-1.4 1,-0.2 -2,-0.2 0.913 113.3 48.9 -59.0 -44.3 68.1 89.7 1.5 276 79 B D H 3< S+ 0 0 35 -4,-2.3 -1,-0.2 1,-0.3 108,-0.2 0.719 100.9 66.2 -68.5 -23.6 70.5 90.4 -1.3 277 80 B S T 3< S+ 0 0 0 -4,-1.2 104,-3.1 -3,-0.3 -1,-0.3 0.446 106.6 48.1 -73.9 -3.5 67.5 91.3 -3.6 278 81 B M B < +D 380 0C 1 -3,-1.4 102,-0.2 102,-0.3 101,-0.1 -0.810 62.5 156.3-127.8 170.0 66.8 94.3 -1.3 279 82 B G > - 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