==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 08-MAY-07 2PTS . COMPND 2 MOLECULE: ADENYLOSUCCINATE LYASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR M.TSAI,P.L.HOWELL . 447 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21657.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 330 73.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 3 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 11 2.5 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 . 0 0.0 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 . 11 2.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 61 13.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 231 51.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.3 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 2 1 1 1 3 1 1 1 1 1 1 0 0 0 1 2 0 2 0 1 0 0 0 0 0 1 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 0 0 1 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 ANTIPARALLEL BRIDGES PER LADDER . 3 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 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 X 0 0 218 0, 0.0 2,-0.1 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 151.9 -10.1 -1.9 -32.6 2 2 A E - 0 0 173 1,-0.1 2,-0.4 6,-0.0 5,-0.1 -0.373 360.0 -93.4 -75.5 158.2 -6.4 -2.2 -33.5 3 3 A L + 0 0 141 -2,-0.1 2,-0.3 3,-0.1 -1,-0.1 -0.593 60.4 142.0 -78.4 128.7 -3.7 -1.0 -31.1 4 4 A S > - 0 0 56 -2,-0.4 4,-1.7 -3,-0.0 3,-0.3 -0.902 67.9 -90.9-151.4 171.8 -2.5 2.6 -31.6 5 5 A S T 4 S+ 0 0 81 -2,-0.3 12,-0.1 1,-0.2 11,-0.1 0.847 128.0 52.5 -59.5 -31.5 -1.5 5.4 -29.3 6 6 A L T 4 S+ 0 0 158 1,-0.2 -1,-0.2 8,-0.1 9,-0.1 0.837 115.1 37.6 -72.9 -34.8 -5.2 6.5 -29.4 7 7 A T T 4 S+ 0 0 51 -3,-0.3 -2,-0.2 -5,-0.1 -1,-0.2 0.545 83.6 121.5 -96.5 -8.5 -6.7 3.1 -28.5 8 8 A A < - 0 0 21 -4,-1.7 7,-0.2 5,-0.2 6,-0.0 -0.306 56.1-146.2 -58.1 134.1 -4.2 2.0 -25.9 9 9 A V S S+ 0 0 153 5,-0.1 -1,-0.1 2,-0.0 -4,-0.0 0.918 84.5 59.4 -67.5 -44.2 -5.8 1.3 -22.5 10 10 A S S >> S- 0 0 40 1,-0.1 4,-1.6 4,-0.1 3,-1.1 -0.723 75.5-143.8 -90.7 133.9 -2.7 2.5 -20.6 11 11 A P T 34>S+ 0 0 50 0, 0.0 5,-2.5 0, 0.0 -1,-0.1 0.606 95.7 76.1 -70.2 -9.9 -1.4 6.0 -21.1 12 12 A V T 345S+ 0 0 11 1,-0.2 8,-0.3 3,-0.1 7,-0.1 0.882 116.0 19.6 -66.7 -36.1 2.1 4.7 -20.7 13 13 A D T <45S+ 0 0 79 -3,-1.1 -1,-0.2 6,-0.1 -5,-0.2 0.538 133.4 51.4-105.3 -13.6 1.7 3.4 -24.3 14 14 A G T ><5S+ 0 0 4 -4,-1.6 3,-2.0 3,-0.1 4,-0.4 0.712 122.9 0.9 -88.9-109.9 -1.2 5.7 -25.1 15 15 A R T 3 5S+ 0 0 212 1,-0.3 3,-0.2 -7,-0.2 -3,-0.1 0.816 144.1 35.8 -52.7 -34.6 -1.1 9.5 -24.5 16 16 A Y T >>4 S+ 0 0 87 -4,-0.4 3,-1.0 -3,-0.2 -1,-0.3 0.816 102.0 60.1 -63.2 -30.9 6.2 8.9 -27.2 19 19 A K G <4 S+ 0 0 109 -3,-1.1 -1,-0.2 1,-0.2 -2,-0.2 0.645 110.8 38.9 -72.7 -17.6 7.7 9.9 -23.8 20 20 A V G XX S+ 0 0 5 -3,-1.1 3,-1.8 -4,-0.7 4,-0.7 0.051 71.8 126.0-121.4 25.8 8.7 6.3 -23.0 21 21 A S H X> + 0 0 73 -3,-1.0 3,-1.2 1,-0.3 4,-0.5 0.833 67.8 66.6 -52.9 -34.7 10.0 5.2 -26.4 22 22 A A H >4 S+ 0 0 52 1,-0.3 3,-0.6 -4,-0.2 -1,-0.3 0.813 97.4 53.6 -57.9 -31.4 13.3 4.2 -24.8 23 23 A L H X>>S+ 0 0 11 -3,-1.8 3,-2.1 1,-0.2 4,-2.0 0.697 88.0 78.7 -79.1 -18.4 11.6 1.4 -22.8 24 24 A R H <<5S+ 0 0 111 -3,-1.2 7,-0.4 -4,-0.7 -1,-0.2 0.804 96.5 47.5 -59.1 -28.8 10.0 -0.1 -25.9 25 25 A G T <<5S+ 0 0 22 -3,-0.6 -1,-0.3 -4,-0.5 -2,-0.2 0.376 123.0 33.1 -93.3 6.6 13.3 -1.7 -26.7 26 26 A I T <45S+ 0 0 9 -3,-2.1 -2,-0.2 8,-0.0 9,-0.2 0.730 123.2 24.2-123.1 -59.8 13.8 -3.0 -23.1 27 27 A F T <5S+ 0 0 17 -4,-2.0 313,-0.3 4,-0.1 312,-0.2 0.548 96.4 94.7 -94.7 -9.0 10.7 -4.0 -21.1 28 28 A S S > S+ 0 0 66 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.838 129.0 56.4 -67.1 -28.8 7.8 -8.4 -25.1 30 30 A Y H > S+ 0 0 63 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.933 108.5 46.0 -65.1 -44.0 10.2 -7.4 -27.9 31 31 A G H > S+ 0 0 0 -7,-0.4 4,-2.1 2,-0.2 -2,-0.2 0.921 112.0 51.1 -63.1 -43.6 12.7 -6.4 -25.3 32 32 A L H X S+ 0 0 10 -4,-2.6 4,-1.8 1,-0.2 -2,-0.2 0.914 112.9 45.7 -58.9 -46.6 12.1 -9.7 -23.4 33 33 A L H X S+ 0 0 2 -4,-2.6 4,-1.8 2,-0.2 -1,-0.2 0.859 108.5 56.9 -66.9 -36.6 12.6 -11.7 -26.6 34 34 A K H X S+ 0 0 53 -4,-2.4 4,-1.7 1,-0.2 -2,-0.2 0.927 111.5 41.9 -61.0 -45.5 15.7 -9.7 -27.6 35 35 A F H X S+ 0 0 10 -4,-2.1 4,-2.7 2,-0.2 -1,-0.2 0.819 108.4 58.3 -73.8 -30.8 17.5 -10.5 -24.3 36 36 A R H X S+ 0 0 5 -4,-1.8 4,-2.5 -5,-0.2 -1,-0.2 0.896 107.8 49.6 -63.1 -37.8 16.4 -14.2 -24.3 37 37 A V H X S+ 0 0 0 -4,-1.8 4,-2.6 2,-0.2 5,-0.2 0.918 109.3 50.6 -65.8 -44.3 18.1 -14.5 -27.6 38 38 A Q H X S+ 0 0 40 -4,-1.7 4,-2.4 1,-0.2 -2,-0.2 0.937 112.2 47.7 -58.7 -47.9 21.3 -12.8 -26.2 39 39 A V H X S+ 0 0 0 -4,-2.7 4,-2.0 2,-0.2 -2,-0.2 0.941 113.4 45.8 -59.6 -51.3 21.3 -15.2 -23.3 40 40 A E H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 78,-0.3 0.912 113.0 50.1 -60.1 -45.5 20.8 -18.4 -25.4 41 41 A V H X S+ 0 0 4 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.933 111.9 47.4 -60.6 -45.7 23.4 -17.4 -27.9 42 42 A R H X S+ 0 0 66 -4,-2.4 4,-2.0 -5,-0.2 -1,-0.2 0.850 109.6 54.5 -64.6 -33.7 26.0 -16.7 -25.2 43 43 A W H X S+ 0 0 2 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.940 109.6 46.1 -65.1 -46.4 25.2 -20.0 -23.5 44 44 A L H X S+ 0 0 6 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.924 111.4 53.9 -60.7 -44.0 25.8 -21.9 -26.7 45 45 A Q H X S+ 0 0 32 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.859 108.2 48.1 -59.8 -38.0 29.0 -19.9 -27.2 46 46 A K H X S+ 0 0 41 -4,-2.0 4,-1.6 2,-0.2 -1,-0.2 0.877 108.4 54.7 -72.2 -35.4 30.3 -20.8 -23.7 47 47 A L H < S+ 0 0 1 -4,-2.1 6,-0.3 2,-0.2 9,-0.2 0.925 111.5 45.2 -60.7 -43.8 29.5 -24.5 -24.3 48 48 A A H < S+ 0 0 3 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.910 111.5 52.1 -65.4 -43.9 31.6 -24.4 -27.5 49 49 A A H < S+ 0 0 79 -4,-2.2 2,-0.8 -5,-0.2 -1,-0.2 0.745 90.5 91.4 -65.8 -24.1 34.4 -22.5 -25.8 50 50 A H >< - 0 0 52 -4,-1.6 3,-1.3 -3,-0.2 6,-0.2 -0.646 64.4-158.6 -80.0 112.0 34.5 -25.1 -23.0 51 51 A A T 3 S+ 0 0 93 -2,-0.8 -1,-0.2 1,-0.3 5,-0.1 0.805 88.2 61.7 -58.3 -34.2 37.1 -27.8 -23.9 52 52 A A T 3 S+ 0 0 54 1,-0.2 2,-1.4 2,-0.1 -1,-0.3 0.742 90.6 71.8 -66.6 -22.9 35.5 -30.4 -21.6 53 53 A I X + 0 0 2 -3,-1.3 3,-1.5 -6,-0.3 -1,-0.2 -0.637 63.4 170.2 -94.4 77.3 32.3 -30.3 -23.6 54 54 A K T 3 + 0 0 170 -2,-1.4 -1,-0.2 1,-0.3 -2,-0.1 0.802 64.6 71.6 -58.4 -35.3 33.6 -32.0 -26.6 55 55 A E T 3 S+ 0 0 108 1,-0.3 -1,-0.3 -3,-0.2 -7,-0.1 0.650 101.1 48.6 -59.6 -15.2 30.2 -32.4 -28.3 56 56 A V S < S- 0 0 1 -3,-1.5 -1,-0.3 -9,-0.2 -3,-0.1 -0.775 88.3-156.8-125.9 84.7 30.2 -28.7 -29.0 57 57 A P - 0 0 81 0, 0.0 -8,-0.1 0, 0.0 -7,-0.1 -0.157 35.1 -76.3 -60.9 156.0 33.7 -27.9 -30.5 58 58 A A - 0 0 82 -9,-0.1 2,-0.3 1,-0.1 -9,-0.1 -0.159 50.6-119.4 -52.2 143.1 35.2 -24.4 -30.3 59 59 A F - 0 0 27 -14,-0.2 -1,-0.1 -3,-0.1 2,-0.1 -0.670 20.9-127.1 -88.5 141.4 33.6 -21.9 -32.7 60 60 A A > - 0 0 69 -2,-0.3 4,-2.6 1,-0.1 5,-0.2 -0.358 33.8 -98.5 -78.9 167.2 35.8 -20.2 -35.4 61 61 A A H > S+ 0 0 85 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.881 124.3 52.1 -53.9 -43.1 35.8 -16.4 -35.7 62 62 A D H > S+ 0 0 52 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.904 110.2 47.4 -62.2 -43.6 33.3 -16.5 -38.5 63 63 A A H > S+ 0 0 2 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.928 111.9 49.8 -64.0 -45.7 30.8 -18.7 -36.6 64 64 A I H X S+ 0 0 67 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.877 110.4 53.1 -60.1 -36.3 31.1 -16.5 -33.5 65 65 A G H X S+ 0 0 34 -4,-2.2 4,-1.8 -5,-0.2 -1,-0.2 0.883 105.9 51.0 -66.7 -40.6 30.5 -13.6 -35.9 66 66 A Y H X S+ 0 0 116 -4,-2.1 4,-1.5 2,-0.2 -1,-0.2 0.910 113.4 46.6 -63.2 -42.3 27.3 -15.1 -37.3 67 67 A L H X S+ 0 0 3 -4,-2.2 4,-1.6 1,-0.2 -2,-0.2 0.910 109.4 52.3 -66.8 -43.6 26.0 -15.6 -33.8 68 68 A D H X S+ 0 0 60 -4,-2.5 4,-3.0 1,-0.2 5,-0.2 0.851 107.3 55.0 -61.8 -32.5 27.0 -12.2 -32.5 69 69 A A H X S+ 0 0 49 -4,-1.8 4,-2.6 2,-0.2 -1,-0.2 0.880 102.1 55.4 -67.5 -39.4 25.0 -10.8 -35.5 70 70 A I H < S+ 0 0 20 -4,-1.5 4,-0.3 2,-0.2 -1,-0.2 0.891 115.0 41.4 -59.6 -38.7 21.9 -12.6 -34.5 71 71 A V H >< S+ 0 0 15 -4,-1.6 3,-0.8 2,-0.2 -2,-0.2 0.949 119.0 41.3 -73.9 -52.9 22.1 -11.0 -31.2 72 72 A A H 3< S+ 0 0 93 -4,-3.0 -2,-0.2 1,-0.2 -3,-0.2 0.760 119.2 44.5 -70.5 -25.7 23.1 -7.4 -32.2 73 73 A S T 3< S+ 0 0 75 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.388 74.2 146.7-101.2 5.1 20.7 -7.3 -35.2 74 74 A F < - 0 0 9 -3,-0.8 2,-0.2 -4,-0.3 -3,-0.1 -0.171 30.8-171.6 -45.6 118.6 17.7 -8.7 -33.5 75 75 A S > - 0 0 43 1,-0.1 4,-2.0 -41,-0.0 3,-0.2 -0.570 40.6-101.6-113.2 174.6 14.7 -6.9 -35.1 76 76 A E H > S+ 0 0 159 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.859 123.5 56.5 -62.8 -34.9 11.0 -6.6 -34.7 77 77 A E H > S+ 0 0 162 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.867 105.2 51.1 -64.9 -35.8 10.6 -9.0 -37.6 78 78 A D H > S+ 0 0 23 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.918 111.1 47.3 -66.1 -43.3 12.7 -11.5 -35.6 79 79 A A H X S+ 0 0 9 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.886 109.7 53.8 -64.0 -39.5 10.4 -11.1 -32.6 80 80 A A H X S+ 0 0 54 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.834 107.0 52.3 -64.2 -32.5 7.4 -11.4 -34.8 81 81 A R H X S+ 0 0 97 -4,-1.6 4,-2.5 2,-0.2 -2,-0.2 0.919 107.8 50.9 -69.3 -42.5 8.8 -14.7 -36.0 82 82 A I H X S+ 0 0 1 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.915 109.6 50.5 -60.3 -42.5 9.2 -15.9 -32.5 83 83 A K H X S+ 0 0 78 -4,-2.3 4,-1.0 2,-0.2 -1,-0.2 0.903 108.9 52.1 -62.0 -41.2 5.6 -15.0 -31.7 84 84 A T H >< S+ 0 0 79 -4,-1.9 3,-0.8 1,-0.2 4,-0.4 0.929 110.5 47.5 -59.9 -45.9 4.5 -16.9 -34.8 85 85 A I H >X S+ 0 0 15 -4,-2.5 4,-2.2 1,-0.2 3,-1.6 0.859 104.5 62.0 -63.7 -34.5 6.4 -20.0 -33.6 86 86 A E H 3X S+ 0 0 39 -4,-2.2 4,-2.6 1,-0.3 -1,-0.2 0.747 89.2 68.8 -64.5 -24.5 4.9 -19.5 -30.2 87 87 A R H << S+ 0 0 206 -4,-1.0 -1,-0.3 -3,-0.8 -2,-0.2 0.770 111.3 34.3 -64.4 -23.5 1.4 -20.1 -31.7 88 88 A T H <4 S+ 0 0 117 -3,-1.6 -2,-0.2 -4,-0.4 -1,-0.2 0.823 123.3 41.3 -98.2 -41.9 2.6 -23.7 -32.2 89 89 A T H < S- 0 0 33 -4,-2.2 -3,-0.2 2,-0.1 -2,-0.2 0.832 82.1-152.8 -76.4 -31.7 4.8 -24.3 -29.2 90 90 A N S < S+ 0 0 134 -4,-2.6 2,-0.3 -5,-0.2 -3,-0.1 0.824 71.1 96.0 59.9 29.2 2.5 -22.5 -26.7 91 91 A H > - 0 0 59 -5,-0.2 4,-2.0 1,-0.1 -1,-0.1 -0.881 64.8-156.5-151.7 111.5 5.7 -21.9 -24.8 92 92 A D H > S+ 0 0 22 -2,-0.3 4,-1.3 2,-0.2 5,-0.1 0.870 94.5 46.5 -62.1 -40.6 7.6 -18.6 -25.3 93 93 A V H > S+ 0 0 1 1,-0.2 4,-1.7 2,-0.2 3,-0.2 0.906 112.3 51.8 -69.2 -38.2 11.1 -19.8 -24.3 94 94 A K H > S+ 0 0 87 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.882 104.8 57.9 -62.4 -37.6 10.7 -22.9 -26.5 95 95 A A H X S+ 0 0 0 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.860 104.8 50.4 -61.4 -36.2 9.7 -20.5 -29.3 96 96 A V H X S+ 0 0 0 -4,-1.3 4,-2.5 -3,-0.2 -1,-0.2 0.892 107.3 53.6 -68.9 -40.4 13.1 -18.8 -28.9 97 97 A E H X S+ 0 0 20 -4,-1.7 4,-1.9 1,-0.2 -2,-0.2 0.928 112.0 44.5 -59.3 -46.8 15.0 -22.1 -29.1 98 98 A Y H X S+ 0 0 114 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.880 110.3 55.9 -64.7 -39.8 13.3 -23.0 -32.3 99 99 A F H X S+ 0 0 0 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.919 108.9 46.5 -58.6 -46.5 13.9 -19.5 -33.7 100 100 A L H X S+ 0 0 6 -4,-2.5 4,-1.6 1,-0.2 -1,-0.2 0.875 108.7 55.3 -65.5 -37.7 17.6 -19.8 -33.1 101 101 A K H X S+ 0 0 48 -4,-1.9 4,-1.3 1,-0.2 -1,-0.2 0.899 108.9 48.5 -62.1 -38.8 17.7 -23.3 -34.7 102 102 A E H < S+ 0 0 81 -4,-2.1 4,-0.4 1,-0.2 3,-0.3 0.917 109.4 52.2 -66.0 -43.7 16.1 -21.7 -37.8 103 103 A K H < S+ 0 0 78 -4,-2.1 3,-0.2 1,-0.2 -1,-0.2 0.786 116.8 39.6 -62.7 -28.6 18.6 -18.9 -37.9 104 104 A V H >< S+ 0 0 3 -4,-1.6 3,-2.0 1,-0.2 7,-0.5 0.591 86.1 96.1 -97.9 -13.9 21.5 -21.4 -37.7 105 105 A A T 3< S+ 0 0 44 -4,-1.3 -1,-0.2 -3,-0.3 -2,-0.1 0.766 84.9 52.9 -47.7 -31.9 20.1 -24.1 -40.0 106 106 A E T 3 S+ 0 0 167 -4,-0.4 -1,-0.3 -3,-0.2 -2,-0.1 0.684 94.4 75.4 -81.0 -20.4 22.1 -22.6 -42.9 107 107 A I X> - 0 0 29 -3,-2.0 4,-4.1 1,-0.2 3,-0.5 -0.825 67.5-159.7 -98.1 104.7 25.4 -22.6 -41.1 108 108 A P H 3> S+ 0 0 86 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.850 90.9 51.2 -48.9 -43.9 26.7 -26.3 -41.0 109 109 A E H 34 S+ 0 0 94 2,-0.2 4,-0.4 1,-0.2 -2,-0.0 0.884 119.8 36.1 -64.2 -38.3 29.1 -25.7 -38.1 110 110 A L H X4 S+ 0 0 1 -3,-0.5 3,-1.1 -6,-0.2 4,-0.3 0.882 115.2 53.5 -81.6 -41.0 26.3 -24.1 -36.1 111 111 A H H >< S+ 0 0 96 -4,-4.1 3,-0.9 -7,-0.5 4,-0.3 0.814 100.2 64.7 -63.4 -28.9 23.6 -26.4 -37.3 112 112 A A T 3< S+ 0 0 77 -4,-1.9 -1,-0.3 -5,-0.3 -2,-0.2 0.771 113.9 30.9 -65.8 -26.0 25.7 -29.3 -36.3 113 113 A V T X S+ 0 0 6 -3,-1.1 3,-2.4 -4,-0.4 -1,-0.2 0.206 84.5 115.5-115.8 13.5 25.5 -28.3 -32.6 114 114 A S G X + 0 0 9 -3,-0.9 3,-1.3 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46.3 -61.1 -42.2 7.0 10.6 -17.7 349 356 A A H X S+ 0 0 0 -4,-1.8 4,-2.7 2,-0.2 5,-0.2 0.899 108.5 54.4 -66.9 -43.2 7.3 12.4 -14.4 350 357 A Y H X S+ 0 0 1 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.910 110.5 46.6 -58.7 -43.4 11.0 13.1 -14.8 351 358 A Q H X S+ 0 0 47 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.887 111.5 52.1 -66.6 -38.2 10.4 14.7 -18.1 352 359 A S H X S+ 0 0 19 -4,-1.8 4,-2.6 -5,-0.2 -2,-0.2 0.909 110.4 46.8 -65.2 -42.5 7.5 16.8 -16.8 353 360 A T H X S+ 0 0 0 -4,-2.7 4,-2.9 2,-0.2 -2,-0.2 0.916 111.5 51.4 -66.7 -41.0 9.5 18.1 -13.9 354 361 A L H X S+ 0 0 36 -4,-2.2 4,-1.5 -5,-0.2 -1,-0.2 0.908 111.0 49.3 -60.7 -40.0 12.4 19.0 -16.2 355 362 A K H < S+ 0 0 118 -4,-2.2 4,-0.2 1,-0.2 -2,-0.2 0.934 112.6 46.9 -64.4 -45.4 9.9 20.8 -18.4 356 363 A G H >< S+ 0 0 0 -4,-2.6 3,-1.7 1,-0.2 4,-0.4 0.891 106.8 57.4 -63.8 -40.3 8.5 22.7 -15.5 357 364 A V H >< S+ 0 0 17 -4,-2.9 3,-1.3 1,-0.3 -1,-0.2 0.857 98.0 61.5 -59.3 -36.3 11.9 23.6 -14.1 358 365 A S T 3< S+ 0 0 69 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.555 102.0 53.8 -69.0 -7.0 12.8 25.4 -17.4 359 366 A K T < S+ 0 0 53 -3,-1.7 -72,-2.0 -4,-0.2 -1,-0.3 0.516 84.3 112.3-103.7 -8.0 9.9 27.8 -16.9 360 367 A L E < +C 286 0C 0 -3,-1.3 2,-0.3 -4,-0.4 -74,-0.1 -0.463 31.6 163.7 -75.9 135.5 10.9 28.9 -13.4 361 368 A E E -C 285 0C 49 -76,-1.0 -76,-3.6 -2,-0.2 -66,-0.1 -0.971 37.7-117.3-146.1 128.7 12.0 32.5 -12.7 362 369 A V E -C 284 0C 11 -2,-0.3 2,-1.1 -78,-0.2 -78,-0.3 -0.406 12.8-136.7 -70.5 145.8 12.1 33.9 -9.1 363 370 A N > + 0 0 19 -80,-2.9 4,-2.4 1,-0.2 3,-0.3 -0.740 29.7 176.3-101.2 79.7 9.9 36.9 -8.4 364 371 A R H > S+ 0 0 134 -2,-1.1 4,-2.7 1,-0.2 5,-0.3 0.875 73.8 54.9 -53.2 -45.1 12.6 38.8 -6.4 365 372 A D H > S+ 0 0 118 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.907 111.2 44.8 -58.8 -42.9 10.4 41.8 -5.8 366 373 A H H > S+ 0 0 57 -3,-0.3 4,-2.5 2,-0.2 5,-0.2 0.921 112.2 51.3 -67.8 -44.3 7.7 39.8 -4.3 367 374 A L H X S+ 0 0 0 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.925 114.6 43.6 -58.0 -45.4 10.1 37.7 -2.1 368 375 A L H X S+ 0 0 44 -4,-2.7 4,-2.2 2,-0.2 -1,-0.2 0.874 112.1 51.9 -69.6 -39.1 11.7 40.9 -0.8 369 376 A D H < S+ 0 0 91 -4,-2.3 4,-0.3 -5,-0.3 -2,-0.2 0.920 109.9 49.5 -64.7 -42.6 8.5 42.7 -0.2 370 377 A E H >< S+ 0 0 26 -4,-2.5 3,-1.6 1,-0.2 -2,-0.2 0.926 110.5 50.4 -61.9 -44.6 7.0 39.8 1.8 371 378 A L H >< S+ 0 0 0 -4,-1.9 3,-2.3 1,-0.3 -1,-0.2 0.918 103.7 58.6 -59.3 -43.7 10.2 39.6 3.9 372 379 A D T 3< S+ 0 0 90 -4,-2.2 -1,-0.3 1,-0.3 3,-0.2 0.542 104.7 53.5 -64.8 -5.4 10.0 43.4 4.6 373 380 A H T < S+ 0 0 124 -3,-1.6 -1,-0.3 -4,-0.3 -2,-0.2 0.181 99.9 63.6-112.8 14.4 6.6 42.8 6.1 374 381 A N X + 0 0 28 -3,-2.3 3,-1.6 1,-0.1 -1,-0.2 -0.359 48.5 147.7-135.2 55.9 7.7 40.0 8.5 375 382 A W G > + 0 0 28 30,-0.6 3,-1.7 1,-0.3 4,-0.1 0.589 57.7 87.5 -67.4 -8.3 10.1 41.7 11.0 376 383 A E G > S+ 0 0 78 1,-0.3 3,-1.7 29,-0.2 4,-0.3 0.764 73.2 72.6 -61.7 -24.1 8.8 39.3 13.6 377 384 A V G X S+ 0 0 15 -3,-1.6 3,-0.9 1,-0.3 -1,-0.3 0.746 83.4 67.6 -64.6 -21.8 11.5 36.8 12.4 378 385 A L G <> S+ 0 0 6 -3,-1.7 4,-1.6 1,-0.2 -1,-0.3 0.519 76.3 84.2 -77.4 -2.6 14.2 39.0 14.0 379 386 A A H <> S+ 0 0 26 -3,-1.7 4,-2.0 1,-0.2 -1,-0.2 0.899 85.9 59.0 -63.7 -37.1 12.9 38.1 17.4 380 387 A E H <> S+ 0 0 90 -3,-0.9 4,-1.8 -4,-0.3 5,-0.2 0.950 106.7 41.2 -57.5 -57.4 15.0 34.9 17.2 381 388 A P H > S+ 0 0 4 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.858 113.0 55.7 -62.9 -33.0 18.5 36.5 16.7 382 389 A I H X S+ 0 0 3 -4,-1.6 4,-2.1 1,-0.2 -2,-0.2 0.897 107.0 51.3 -64.8 -38.4 17.7 39.1 19.3 383 390 A Q H X S+ 0 0 47 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.897 108.9 47.9 -66.9 -42.6 16.9 36.4 21.8 384 391 A T H X S+ 0 0 78 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.881 112.7 48.9 -68.0 -36.7 20.2 34.4 21.3 385 392 A V H X S+ 0 0 14 -4,-1.8 4,-1.7 2,-0.2 -1,-0.2 0.915 112.3 49.0 -67.2 -41.1 22.3 37.6 21.6 386 393 A X H <>S+ 0 0 0 -4,-2.1 5,-2.8 1,-0.2 -2,-0.2 0.916 112.4 48.9 -61.8 -42.8 20.3 38.5 24.8 387 394 A R H ><5S+ 0 0 142 -4,-2.5 3,-1.5 1,-0.2 -2,-0.2 0.878 105.9 56.9 -65.3 -39.1 20.9 35.0 26.1 388 395 A R H 3<5S+ 0 0 180 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.877 110.3 44.8 -60.7 -37.5 24.7 35.2 25.3 389 396 A Y T 3<5S- 0 0 75 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.186 118.8-108.0 -94.5 17.9 25.0 38.2 27.4 390 397 A G T < 5 + 0 0 61 -3,-1.5 2,-0.5 1,-0.2 -3,-0.2 0.681 57.7 162.5 68.8 20.5 23.0 36.9 30.3 391 398 A I < - 0 0 22 -5,-2.8 -1,-0.2 -6,-0.2 -2,-0.1 -0.628 37.2-124.9 -75.4 121.8 19.9 39.0 29.9 392 399 A E S S+ 0 0 165 -2,-0.5 5,-0.1 1,-0.2 -1,-0.1 -0.167 78.3 11.0 -67.4 158.8 17.1 37.4 31.8 393 400 A K S > S+ 0 0 54 1,-0.1 4,-2.2 3,-0.1 -1,-0.2 0.845 70.1 163.2 40.9 52.9 13.7 36.3 30.5 394 401 A P H > S+ 0 0 13 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.949 73.2 45.5 -62.7 -49.7 14.6 36.8 26.8 395 402 A Y H > S+ 0 0 58 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.892 113.4 51.1 -61.0 -40.9 11.7 34.8 25.4 396 403 A E H > S+ 0 0 63 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.913 111.1 47.6 -63.4 -44.0 9.2 36.4 27.8 397 404 A K H X S+ 0 0 89 -4,-2.2 4,-1.4 1,-0.2 -2,-0.2 0.909 112.9 47.3 -65.2 -43.8 10.4 39.9 26.8 398 405 A L H X S+ 0 0 10 -4,-2.4 4,-3.4 1,-0.2 -1,-0.2 0.861 107.0 58.4 -66.4 -34.8 10.2 39.3 23.1 399 406 A K H < S+ 0 0 68 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.932 106.4 47.9 -59.1 -45.8 6.8 37.7 23.5 400 407 A E H < S+ 0 0 88 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.837 114.8 47.5 -63.4 -33.3 5.5 41.0 25.0 401 408 A L H < 0 0 50 -4,-1.4 -2,-0.2 -5,-0.1 -1,-0.2 0.890 360.0 360.0 -74.9 -42.6 7.2 42.8 22.1 402 409 A T < 0 0 78 -4,-3.4 -26,-0.0 -5,-0.1 3,-0.0 -0.216 360.0 360.0 -76.7 360.0 5.8 40.5 19.3 403 ! 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 0.0 404 413 A R 0 0 143 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 136.7 2.8 44.8 15.2 405 414 A V + 0 0 15 -32,-0.1 -30,-0.6 4,-0.0 2,-0.2 -0.992 360.0 156.4-132.5 130.5 6.6 44.7 14.6 406 415 A D > - 0 0 89 -2,-0.4 4,-2.2 -31,-0.1 5,-0.2 -0.819 56.6 -84.6-139.3 178.0 8.7 46.9 12.3 407 416 A A H > S+ 0 0 45 -2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.906 126.0 47.7 -52.9 -48.1 12.2 48.1 11.9 408 417 A E H > S+ 0 0 113 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.901 109.9 52.2 -62.9 -43.0 11.7 51.1 14.2 409 418 A G H > S+ 0 0 22 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.883 113.2 44.9 -61.2 -37.7 10.1 48.9 16.9 410 419 A X H X S+ 0 0 10 -4,-2.2 4,-2.9 2,-0.2 5,-0.2 0.918 110.4 53.1 -72.7 -43.8 13.0 46.5 16.9 411 420 A K H X S+ 0 0 25 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.920 110.7 48.0 -57.1 -44.9 15.6 49.2 16.9 412 421 A Q H X S+ 0 0 127 -4,-2.4 4,-1.1 2,-0.2 -1,-0.2 0.876 111.5 49.4 -64.8 -38.5 14.0 50.8 20.0 413 422 A F H < S+ 0 0 43 -4,-1.6 3,-0.4 -5,-0.2 4,-0.2 0.929 112.9 47.7 -66.1 -44.0 13.8 47.4 21.8 414 423 A I H >< S+ 0 0 4 -4,-2.9 3,-1.7 1,-0.2 -2,-0.2 0.898 107.5 54.8 -63.0 -43.5 17.4 46.7 21.0 415 424 A D H 3< S+ 0 0 77 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.778 106.0 54.5 -62.3 -25.5 18.6 50.1 22.1 416 425 A G T 3< S+ 0 0 69 -4,-1.1 -1,-0.3 -3,-0.4 -2,-0.2 0.481 89.8 102.6 -87.5 -2.5 16.9 49.5 25.4 417 426 A L S < S- 0 0 13 -3,-1.7 2,-1.9 -4,-0.2 7,-0.1 -0.481 82.6-115.7 -82.4 152.2 18.8 46.2 26.0 418 427 A A S S+ 0 0 86 -2,-0.2 -1,-0.1 -32,-0.0 -2,-0.1 -0.546 72.0 127.3 -84.9 72.6 21.7 45.8 28.4 419 428 A L - 0 0 17 -2,-1.9 5,-0.1 -5,-0.2 -33,-0.0 -0.931 69.0 -93.0-129.5 152.7 24.1 44.9 25.5 420 429 A P >> - 0 0 58 0, 0.0 4,-1.7 0, 0.0 3,-1.0 -0.366 41.4-115.2 -63.1 145.3 27.5 46.3 24.5 421 430 A E H 3> S+ 0 0 81 1,-0.3 4,-2.0 2,-0.2 5,-0.2 0.855 114.2 59.4 -48.4 -42.7 27.1 49.1 21.9 422 431 A E H 3> S+ 0 0 75 1,-0.2 4,-1.5 2,-0.2 -1,-0.3 0.874 107.2 46.1 -56.7 -40.1 28.9 47.0 19.2 423 432 A E H <> S+ 0 0 25 -3,-1.0 4,-2.2 2,-0.2 -1,-0.2 0.835 106.9 57.3 -73.6 -33.7 26.3 44.2 19.6 424 433 A K H X S+ 0 0 44 -4,-1.7 4,-2.4 1,-0.2 -2,-0.2 0.904 108.4 48.0 -62.8 -40.3 23.3 46.6 19.5 425 434 A A H X S+ 0 0 54 -4,-2.0 4,-1.0 2,-0.2 -1,-0.2 0.886 107.9 54.4 -67.4 -39.5 24.6 47.9 16.1 426 435 A R H < S+ 0 0 120 -4,-1.5 4,-0.4 1,-0.2 3,-0.4 0.920 113.0 43.4 -61.2 -42.2 25.0 44.3 14.8 427 436 A L H >< S+ 0 0 4 -4,-2.2 3,-1.0 1,-0.2 -2,-0.2 0.877 112.2 51.7 -70.2 -39.0 21.4 43.6 15.7 428 437 A K H 3< S+ 0 0 95 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.611 103.5 62.6 -74.0 -9.9 20.1 46.9 14.3 429 438 A A T 3< S+ 0 0 65 -4,-1.0 -1,-0.2 -3,-0.4 -2,-0.2 0.632 87.5 89.7 -88.3 -16.9 22.0 46.1 11.1 430 439 A X < - 0 0 33 -3,-1.0 -52,-0.0 -4,-0.4 3,-0.0 -0.525 50.1-178.4 -86.9 151.9 20.0 43.0 10.3 431 440 A T >> - 0 0 46 -2,-0.2 4,-1.6 1,-0.1 3,-0.7 -0.908 45.2-104.0-135.7 160.5 16.8 42.9 8.3 432 441 A P T 34 S+ 0 0 2 0, 0.0 3,-0.3 0, 0.0 -266,-0.1 0.904 122.7 56.7 -55.9 -35.5 14.6 39.9 7.5 433 442 A A T 34 S+ 0 0 31 1,-0.2 -267,-0.1 -65,-0.1 -3,-0.0 0.813 114.8 34.6 -65.2 -32.9 16.1 40.0 4.0 434 443 A N T <4 S+ 0 0 84 -3,-0.7 2,-1.8 1,-0.1 3,-0.2 0.487 91.4 93.4-102.5 -2.3 19.7 39.7 5.2 435 444 A Y < + 0 0 44 -4,-1.6 -1,-0.1 -3,-0.3 -5,-0.0 -0.479 48.9 122.5 -86.8 66.6 19.0 37.4 8.2 436 445 A I > - 0 0 26 -2,-1.8 3,-1.8 1,-0.3 -1,-0.2 0.234 54.0-153.9-112.6 11.4 19.8 34.3 6.2 437 446 A G T 3 - 0 0 72 -3,-0.2 3,-0.3 1,-0.2 -1,-0.3 -0.219 65.6 -21.2 54.9-134.0 22.6 32.8 8.2 438 447 A R T 3> S+ 0 0 123 1,-0.2 4,-2.3 2,-0.1 -1,-0.2 0.251 98.3 119.4 -93.9 11.0 25.0 30.5 6.3 439 448 A A H <> S+ 0 0 6 -3,-1.8 4,-1.6 1,-0.2 -1,-0.2 0.858 73.6 45.7 -44.3 -53.6 22.5 29.9 3.4 440 449 A I H > S+ 0 0 47 -3,-0.3 4,-2.2 1,-0.2 3,-0.3 0.934 113.5 47.9 -61.3 -48.3 24.6 31.3 0.6 441 450 A T H > S+ 0 0 64 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.857 108.8 56.0 -62.1 -34.4 27.9 29.7 1.6 442 451 A X H X S+ 0 0 86 -4,-2.3 4,-0.6 2,-0.2 -1,-0.2 0.867 106.4 49.8 -67.4 -33.8 26.1 26.4 1.9 443 452 A V H >< S+ 0 0 5 -4,-1.6 3,-1.1 -3,-0.3 4,-0.4 0.942 110.5 50.5 -67.0 -45.4 24.9 26.7 -1.7 444 453 A D H 3< S+ 0 0 61 -4,-2.2 3,-0.5 1,-0.2 -2,-0.2 0.804 109.3 52.2 -62.1 -29.2 28.5 27.4 -2.8 445 454 A E H >< S+ 0 0 57 -4,-1.7 3,-2.6 1,-0.2 4,-0.5 0.577 80.1 92.6 -85.1 -9.7 29.7 24.4 -0.9 446 455 A L G X< S+ 0 0 16 -3,-1.1 3,-1.8 -4,-0.6 -1,-0.2 0.867 77.4 64.7 -51.3 -38.7 27.3 21.9 -2.4 447 456 A K G 3 S+ 0 0 151 -3,-0.5 -1,-0.3 -4,-0.4 -2,-0.1 0.624 94.7 60.8 -61.4 -13.2 29.9 21.1 -5.1 448 457 A H G < 0 0 133 -3,-2.6 -1,-0.3 -4,-0.0 -2,-0.2 0.622 360.0 360.0 -89.4 -14.6 32.2 19.7 -2.4 449 458 A H < 0 0 138 -3,-1.8 0, 0.0 -4,-0.5 0, 0.0 -0.731 360.0 360.0 -97.1 360.0 29.7 16.9 -1.3