==== 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 LYASE 12-JAN-05 1YIS . COMPND 2 MOLECULE: ADENYLOSUCCINATE LYASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CAENORHABDITIS ELEGANS; . AUTHOR J.SYMERSKY,N.SCHORMANN,S.LU,Y.ZHANG,E.KARPOVA,S.QIU,W.HUANG, . 421 3 1 0 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20910.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 325 77.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 11 2.6 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 . 16 3.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 43 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 237 56.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 2.4 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 0 0 3 1 1 1 0 2 0 0 0 0 0 0 1 0 1 0 1 0 0 1 1 1 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 . 0 1 0 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 2 A A > 0 0 95 0, 0.0 3,-1.2 0, 0.0 4,-0.2 0.000 360.0 360.0 360.0 140.5 3.7 56.0 36.2 2 3 A S G > + 0 0 68 1,-0.3 3,-1.2 2,-0.2 0, 0.0 0.790 360.0 63.7 -65.3 -27.0 3.3 58.1 33.0 3 4 A E G 3 S+ 0 0 154 1,-0.2 -1,-0.3 3,-0.0 4,-0.1 0.720 87.2 72.1 -69.4 -20.3 5.6 55.7 31.2 4 5 A D G < S+ 0 0 122 -3,-1.2 2,-0.3 2,-0.1 -1,-0.2 0.604 98.5 51.5 -72.4 -11.2 3.1 52.8 31.7 5 6 A K S < S- 0 0 159 -3,-1.2 0, 0.0 -4,-0.2 0, 0.0 -0.954 101.3 -87.8-128.0 148.3 0.7 54.4 29.1 6 7 A F - 0 0 200 -2,-0.3 2,-0.3 1,-0.1 -2,-0.1 -0.200 50.3-165.9 -50.5 137.7 1.3 55.6 25.5 7 8 A E - 0 0 81 -4,-0.1 2,-0.5 -3,-0.0 -1,-0.1 -0.926 30.0-101.5-130.1 154.2 2.4 59.2 25.5 8 9 A S > - 0 0 49 -2,-0.3 4,-2.4 1,-0.2 5,-0.3 -0.637 28.4-155.8 -72.2 119.8 2.6 61.9 22.8 9 10 A V H >>S+ 0 0 65 -2,-0.5 5,-2.0 2,-0.2 4,-1.4 0.772 92.6 54.3 -70.0 -24.6 6.4 61.9 22.1 10 11 A L H 4>S+ 0 0 13 3,-0.2 5,-2.5 4,-0.2 -1,-0.2 0.954 113.7 39.2 -70.9 -51.4 6.0 65.5 20.9 11 12 A S H 45S+ 0 0 41 1,-0.2 -2,-0.2 3,-0.2 7,-0.1 0.878 126.3 34.9 -65.6 -43.3 4.4 66.7 24.1 12 13 A T H <5S+ 0 0 69 -4,-2.4 -1,-0.2 3,-0.1 -3,-0.2 0.699 136.2 10.1 -89.3 -21.2 6.5 64.7 26.5 13 14 A R T ><5S+ 0 0 142 -4,-1.4 3,-0.6 -5,-0.3 -3,-0.2 0.723 125.2 37.5-121.9 -67.1 9.8 64.7 24.6 14 15 A Y T 3 > S+ 0 0 55 0, 0.0 4,-2.9 0, 0.0 3,-0.6 0.626 100.1 77.7 -68.0 -10.1 4.5 77.0 25.6 20 21 A L H 3> S+ 0 0 0 1,-0.2 4,-2.9 2,-0.2 5,-0.1 0.822 83.3 63.2 -67.5 -29.2 2.6 75.1 22.9 21 22 A V H <4 S+ 0 0 46 -3,-1.5 -1,-0.2 -6,-0.3 -5,-0.1 0.815 112.3 36.3 -64.8 -28.0 2.1 72.2 25.3 22 23 A S H X4 S+ 0 0 81 -3,-0.6 3,-1.4 -4,-0.4 6,-0.4 0.871 116.2 52.7 -87.9 -45.3 0.1 74.7 27.5 23 24 A I H 3< S+ 0 0 19 -4,-2.9 -2,-0.2 1,-0.3 -3,-0.2 0.877 114.3 42.6 -58.4 -39.9 -1.5 76.6 24.6 24 25 A L T 3< S+ 0 0 35 -4,-2.9 -1,-0.3 -5,-0.2 -2,-0.1 0.283 91.5 115.5 -93.1 11.7 -2.8 73.3 23.0 25 26 A S S <> S- 0 0 39 -3,-1.4 4,-2.1 1,-0.1 5,-0.2 -0.391 77.1-116.8 -79.7 158.3 -3.9 71.7 26.3 26 27 A E H > S+ 0 0 62 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.862 115.2 57.1 -61.2 -35.1 -7.5 70.9 27.1 27 28 A T H > S+ 0 0 61 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.912 108.0 45.8 -63.7 -42.3 -7.4 73.3 30.0 28 29 A N H > S+ 0 0 44 -6,-0.4 4,-2.2 2,-0.2 -1,-0.2 0.884 112.8 51.0 -68.8 -37.2 -6.4 76.2 27.8 29 30 A K H X S+ 0 0 37 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.935 111.9 45.7 -65.2 -45.4 -9.1 75.3 25.2 30 31 A A H X S+ 0 0 3 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.855 111.5 54.4 -65.2 -34.1 -11.8 75.1 27.9 31 32 A T H X S+ 0 0 16 -4,-1.9 4,-2.3 -5,-0.2 -1,-0.2 0.902 107.6 49.3 -65.4 -40.8 -10.5 78.4 29.2 32 33 A L H X S+ 0 0 18 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.855 106.6 56.5 -67.0 -34.5 -10.8 80.0 25.8 33 34 A W H X S+ 0 0 26 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.919 110.6 44.1 -61.1 -44.2 -14.4 78.7 25.5 34 35 A R H X S+ 0 0 2 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.872 111.5 53.1 -67.9 -39.1 -15.2 80.5 28.8 35 36 A Q H X S+ 0 0 32 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.899 110.4 48.6 -63.3 -40.3 -13.4 83.6 27.6 36 37 A L H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.904 109.9 49.9 -67.4 -43.2 -15.4 83.6 24.4 37 38 A W H X S+ 0 0 3 -4,-2.2 4,-2.4 2,-0.2 65,-0.2 0.878 111.5 52.2 -62.5 -34.2 -18.7 83.1 26.3 38 39 A I H X S+ 0 0 2 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.960 111.0 44.4 -65.2 -51.5 -17.5 86.1 28.4 39 40 A W H X S+ 0 0 47 -4,-2.7 4,-2.7 1,-0.2 5,-0.2 0.872 112.6 53.0 -60.6 -38.1 -16.8 88.3 25.4 40 41 A L H X S+ 0 0 1 -4,-2.7 4,-2.7 2,-0.2 -1,-0.2 0.942 110.8 47.1 -62.0 -46.8 -20.1 87.2 23.9 41 42 A A H X S+ 0 0 2 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.909 113.1 48.7 -60.8 -44.4 -21.9 88.2 27.1 42 43 A E H X S+ 0 0 35 -4,-2.7 4,-2.9 2,-0.2 -2,-0.2 0.938 113.5 45.8 -62.9 -47.9 -20.1 91.5 27.2 43 44 A A H X S+ 0 0 0 -4,-2.7 4,-1.7 2,-0.2 -2,-0.2 0.919 111.6 51.0 -63.1 -45.3 -20.8 92.4 23.6 44 45 A E H <>S+ 0 0 0 -4,-2.7 5,-2.5 -5,-0.2 -1,-0.2 0.900 113.5 46.6 -59.9 -39.1 -24.5 91.4 23.8 45 46 A K H ><5S+ 0 0 72 -4,-2.1 3,-2.2 -5,-0.2 -2,-0.2 0.941 109.4 52.8 -67.2 -47.4 -24.9 93.6 26.9 46 47 A E H 3<5S+ 0 0 112 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.785 108.2 54.2 -57.5 -28.1 -23.0 96.5 25.3 47 48 A L T 3<5S- 0 0 32 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.287 129.2 -90.2 -92.6 9.8 -25.5 96.2 22.4 48 49 A G T < 5S+ 0 0 47 -3,-2.2 2,-1.7 1,-0.2 -3,-0.2 0.441 76.0 140.5 103.3 -3.0 -28.6 96.4 24.5 49 50 A L > < - 0 0 14 -5,-2.5 3,-1.8 1,-0.2 -1,-0.2 -0.592 29.2-173.0 -78.8 90.2 -29.5 92.9 25.5 50 51 A K T 3 S+ 0 0 181 -2,-1.7 -1,-0.2 1,-0.3 -5,-0.1 0.717 70.2 79.3 -55.3 -29.1 -30.6 93.7 29.1 51 52 A Q T 3 S+ 0 0 98 -3,-0.1 2,-0.8 1,-0.1 -1,-0.3 0.710 80.2 78.7 -56.4 -19.2 -31.0 90.0 30.1 52 53 A V S < S- 0 0 0 -3,-1.8 2,-0.2 -11,-0.1 -1,-0.1 -0.827 75.1-164.4 -93.5 107.7 -27.2 89.9 30.5 53 54 A T > - 0 0 58 -2,-0.8 4,-1.9 43,-0.2 5,-0.1 -0.514 30.3-121.0 -92.0 161.0 -26.4 91.6 33.8 54 55 A Q H > S+ 0 0 87 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.785 114.1 57.6 -68.7 -27.3 -23.1 92.8 35.1 55 56 A D H > S+ 0 0 113 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.870 105.3 49.9 -70.0 -37.3 -23.3 90.5 38.0 56 57 A A H > S+ 0 0 1 40,-0.2 4,-2.0 1,-0.2 41,-0.3 0.948 112.2 47.9 -64.9 -47.4 -23.6 87.5 35.7 57 58 A I H X S+ 0 0 4 -4,-1.9 4,-2.5 1,-0.2 5,-0.2 0.878 108.3 54.7 -61.0 -40.0 -20.6 88.7 33.8 58 59 A D H X S+ 0 0 71 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.862 106.2 51.5 -63.8 -36.4 -18.6 89.2 37.0 59 60 A E H X S+ 0 0 43 -4,-1.7 4,-2.6 -3,-0.2 -1,-0.2 0.964 111.5 48.4 -62.2 -50.5 -19.2 85.7 38.1 60 61 A X H < S+ 0 0 0 -4,-2.0 4,-0.3 1,-0.2 -2,-0.2 0.888 113.7 45.0 -56.0 -46.6 -18.0 84.4 34.7 61 62 A K H >< S+ 0 0 108 -4,-2.5 3,-0.5 1,-0.2 4,-0.3 0.869 114.5 49.3 -68.8 -35.4 -14.9 86.6 34.7 62 63 A S H 3< S+ 0 0 94 -4,-2.2 3,-0.3 -5,-0.2 -2,-0.2 0.855 119.0 37.1 -72.4 -35.4 -14.1 85.7 38.3 63 64 A N T >< S+ 0 0 42 -4,-2.6 3,-1.4 -5,-0.2 -1,-0.2 0.216 81.3 111.8-102.3 15.1 -14.5 81.9 37.7 64 65 A R T < S+ 0 0 70 -3,-0.5 -1,-0.2 -4,-0.3 -30,-0.2 0.875 84.6 38.4 -54.9 -42.5 -13.0 81.7 34.3 65 66 A D T 3 S+ 0 0 93 -3,-0.3 2,-0.8 -4,-0.3 -1,-0.3 0.247 88.2 108.4 -97.1 12.9 -10.0 79.7 35.4 66 67 A V < - 0 0 68 -3,-1.4 2,-0.5 -35,-0.1 27,-0.1 -0.806 47.0-175.5 -95.2 110.2 -11.6 77.5 38.0 67 68 A F - 0 0 39 -2,-0.8 2,-0.8 1,-0.0 -2,-0.0 -0.917 22.2-172.8-115.4 125.0 -11.8 73.9 36.7 68 69 A D >> + 0 0 85 -2,-0.5 4,-2.8 1,-0.2 3,-0.6 -0.693 16.9 175.8-106.8 72.4 -13.6 71.0 38.5 69 70 A W H 3> S+ 0 0 56 -2,-0.8 4,-3.3 1,-0.2 5,-0.2 0.843 73.3 56.7 -50.0 -44.1 -12.3 68.3 36.1 70 71 A P H 3> S+ 0 0 98 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.936 114.1 41.7 -56.7 -42.1 -13.8 65.3 38.1 71 72 A F H <> S+ 0 0 43 -3,-0.6 4,-2.2 2,-0.2 -2,-0.2 0.943 113.4 52.0 -67.3 -48.8 -17.2 67.0 37.8 72 73 A I H X S+ 0 0 1 -4,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.897 108.8 52.5 -54.9 -42.5 -16.6 68.1 34.1 73 74 A R H X S+ 0 0 81 -4,-3.3 4,-0.6 1,-0.2 -1,-0.2 0.919 108.6 47.5 -61.2 -46.6 -15.7 64.5 33.3 74 75 A S H >X S+ 0 0 30 -4,-1.8 4,-2.5 -5,-0.2 3,-0.5 0.866 112.4 52.3 -63.5 -34.1 -18.9 63.0 34.8 75 76 A E H 3X S+ 0 0 12 -4,-2.2 4,-1.9 1,-0.2 6,-0.3 0.860 103.5 54.8 -69.2 -36.8 -20.8 65.7 32.9 76 77 A E H 3< S+ 0 0 28 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.634 112.6 48.4 -70.9 -11.2 -19.2 64.8 29.6 77 78 A R H << S+ 0 0 155 -4,-0.6 -2,-0.2 -3,-0.5 -1,-0.2 0.904 107.2 48.3 -92.1 -54.8 -20.5 61.3 30.4 78 79 A K H < S+ 0 0 171 -4,-2.5 2,-0.5 1,-0.2 -2,-0.2 0.931 127.9 28.9 -51.0 -48.6 -24.1 61.9 31.3 79 80 A L S < S- 0 0 40 -4,-1.9 2,-1.5 -5,-0.2 -1,-0.2 -0.965 82.6-139.6-116.0 127.0 -24.4 64.0 28.2 80 81 A K S S+ 0 0 160 -2,-0.5 2,-0.3 -3,-0.1 -4,-0.1 -0.313 73.4 94.7 -84.1 55.3 -22.1 63.2 25.3 81 82 A H > - 0 0 119 -2,-1.5 4,-2.8 -6,-0.3 5,-0.2 -0.830 56.3-160.6-148.9 104.0 -21.3 66.8 24.3 82 83 A D H > S+ 0 0 52 -2,-0.3 4,-2.9 1,-0.2 5,-0.2 0.882 93.5 49.3 -49.2 -50.3 -18.2 68.5 25.6 83 84 A V H > S+ 0 0 11 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.920 113.2 46.6 -59.5 -45.4 -19.4 72.0 25.0 84 85 A X H > S+ 0 0 102 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.911 113.0 51.0 -63.2 -41.8 -22.8 71.4 26.7 85 86 A A H X S+ 0 0 0 -4,-2.8 4,-3.0 1,-0.2 -2,-0.2 0.935 112.7 44.7 -61.0 -47.8 -20.9 69.7 29.6 86 87 A H H X S+ 0 0 2 -4,-2.9 4,-2.7 2,-0.2 -1,-0.2 0.818 112.4 52.0 -67.0 -32.0 -18.5 72.7 30.0 87 88 A N H X S+ 0 0 27 -4,-2.2 4,-2.4 -5,-0.2 -2,-0.2 0.946 112.0 46.5 -68.0 -47.2 -21.4 75.1 29.7 88 89 A H H X S+ 0 0 74 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.947 114.4 47.8 -57.4 -50.4 -23.3 73.2 32.4 89 90 A A H X S+ 0 0 4 -4,-3.0 4,-1.3 1,-0.2 -1,-0.2 0.911 114.2 45.3 -58.5 -45.0 -20.1 73.2 34.5 90 91 A F H X S+ 0 0 0 -4,-2.7 4,-1.4 1,-0.2 -1,-0.2 0.826 110.2 58.1 -68.8 -29.4 -19.5 76.9 34.0 91 92 A G H < S+ 0 0 8 -4,-2.4 7,-0.4 1,-0.2 -2,-0.2 0.904 102.9 50.7 -66.4 -42.5 -23.2 77.4 34.7 92 93 A K H < S+ 0 0 132 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.829 110.6 50.0 -65.3 -31.6 -22.9 75.8 38.1 93 94 A L H < S+ 0 0 58 -4,-1.3 -1,-0.2 1,-0.3 -2,-0.2 0.794 121.5 35.1 -74.0 -30.1 -20.0 78.0 39.0 94 95 A C >X + 0 0 0 -4,-1.4 4,-1.4 -5,-0.1 3,-0.8 -0.621 68.9 168.5-125.6 71.7 -21.9 81.1 37.8 95 96 A P T 34 S+ 0 0 94 0, 0.0 4,-0.4 0, 0.0 -1,-0.1 0.769 78.8 54.0 -55.4 -30.1 -25.6 80.4 38.8 96 97 A T T 34 S+ 0 0 83 1,-0.2 3,-0.2 2,-0.1 -40,-0.2 0.835 116.7 37.4 -74.6 -31.8 -26.6 84.0 38.1 97 98 A A T X> S+ 0 0 0 -3,-0.8 3,-1.6 -41,-0.3 4,-1.1 0.531 87.8 100.9 -95.4 -9.1 -25.2 83.8 34.6 98 99 A A G >< S+ 0 0 41 -4,-1.4 3,-0.6 -7,-0.4 -1,-0.2 0.852 81.3 50.6 -43.3 -48.4 -26.2 80.2 33.9 99 100 A G G 34 S+ 0 0 72 -4,-0.4 -1,-0.3 -3,-0.2 -2,-0.1 0.705 114.7 40.5 -68.4 -22.5 -29.2 81.2 31.8 100 101 A I G X4 S+ 0 0 18 -3,-1.6 3,-2.0 -4,-0.1 -1,-0.2 0.419 78.4 125.0-108.1 1.9 -27.4 83.6 29.5 101 102 A I T << S- 0 0 3 -4,-1.1 3,-0.2 -3,-0.6 -63,-0.1 -0.454 91.2 -0.6 -65.0 129.7 -24.2 81.7 28.9 102 103 A H T > S- 0 0 76 -65,-0.2 3,-2.5 1,-0.2 -1,-0.3 0.611 90.9-169.6 63.6 18.6 -23.7 81.3 25.1 103 104 A L T < - 0 0 36 -3,-2.0 -1,-0.2 1,-0.3 3,-0.1 -0.093 69.8 -8.1 -44.1 113.6 -27.0 83.2 24.5 104 105 A G T 3 S+ 0 0 22 1,-0.3 -1,-0.3 -3,-0.2 99,-0.2 0.220 112.1 115.2 81.9 -14.6 -28.0 82.8 20.9 105 106 A A < - 0 0 12 -3,-2.5 -1,-0.3 97,-0.1 2,-0.2 -0.417 60.6-127.1 -88.9 162.5 -24.6 81.2 20.0 106 107 A T >> - 0 0 29 -2,-0.1 3,-1.8 -3,-0.1 4,-0.5 -0.626 29.0-108.5-101.5 163.2 -23.8 77.7 18.7 107 108 A S H >> S+ 0 0 58 1,-0.3 4,-2.2 -2,-0.2 3,-1.4 0.889 119.3 65.3 -57.6 -39.1 -21.3 75.3 20.2 108 109 A C H 3>>S+ 0 0 0 1,-0.3 4,-1.9 2,-0.2 5,-0.8 0.708 85.1 76.0 -57.4 -20.0 -19.1 76.0 17.2 109 110 A F H <>5S+ 0 0 2 -3,-1.8 4,-0.8 1,-0.2 -1,-0.3 0.929 109.0 25.7 -57.9 -46.8 -18.9 79.5 18.5 110 111 A V H < S+ 0 0 58 -4,-2.6 3,-1.8 1,-0.2 4,-0.2 0.934 109.0 55.2 -61.5 -44.6 28.1 86.0 7.2 143 144 A K H 3< S+ 0 0 166 -4,-2.6 3,-0.3 1,-0.3 -1,-0.2 0.846 119.1 33.9 -56.2 -34.4 30.8 84.3 9.2 144 145 A N T >< S+ 0 0 11 -4,-1.5 20,-1.9 -5,-0.2 3,-1.6 0.102 78.6 121.5-109.9 21.7 31.6 82.1 6.2 145 146 A K T < S+ 0 0 53 -3,-1.8 -1,-0.2 1,-0.3 20,-0.1 0.708 87.6 32.4 -58.2 -19.8 30.8 84.6 3.5 146 147 A E T 3 S+ 0 0 109 -3,-0.3 2,-0.9 -4,-0.2 -1,-0.3 0.171 85.4 114.3-124.6 18.1 34.4 84.2 2.2 147 148 A V < - 0 0 41 -3,-1.6 16,-2.8 249,-0.0 17,-0.3 -0.817 61.6-142.1 -90.9 108.3 35.2 80.6 3.0 148 149 A V E +A 162 0A 23 -2,-0.9 2,-0.3 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169 A V H X S+ 0 0 10 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.755 106.0 58.6 -76.4 -24.7 22.1 82.0 2.2 169 170 A L H X S+ 0 0 77 -4,-1.5 4,-1.3 2,-0.2 -2,-0.2 0.923 111.8 41.4 -68.1 -42.9 20.6 79.5 -0.3 170 171 A W H X S+ 0 0 2 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.920 111.4 57.0 -67.2 -44.1 19.3 77.5 2.7 171 172 A A H X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.844 104.0 53.4 -55.9 -37.2 18.3 80.8 4.4 172 173 A Q H X S+ 0 0 80 -4,-1.9 4,-2.6 2,-0.2 -1,-0.2 0.892 105.4 52.6 -67.6 -40.3 16.1 81.7 1.4 173 174 A E H X S+ 0 0 65 -4,-1.3 4,-1.4 -3,-0.2 -2,-0.2 0.963 115.6 41.1 -58.7 -50.7 14.3 78.4 1.5 174 175 A L H X S+ 0 0 0 -4,-2.1 4,-2.7 1,-0.2 -2,-0.2 0.880 113.0 54.6 -64.8 -38.7 13.5 78.9 5.2 175 176 A L H X S+ 0 0 2 -4,-2.7 4,-2.9 1,-0.2 -1,-0.2 0.886 106.2 51.2 -64.4 -38.7 12.8 82.7 4.7 176 177 A X H X S+ 0 0 81 -4,-2.6 4,-1.7 2,-0.2 -1,-0.2 0.869 111.5 48.0 -66.6 -33.6 10.2 81.9 2.0 177 178 A A H X S+ 0 0 2 -4,-1.4 4,-2.5 -5,-0.2 5,-0.2 0.928 111.3 51.4 -69.8 -42.8 8.5 79.5 4.4 178 179 A F H X S+ 0 0 1 -4,-2.7 4,-3.0 1,-0.2 -2,-0.2 0.926 109.0 50.0 -57.4 -48.3 8.7 82.1 7.1 179 180 A Q H X S+ 0 0 67 -4,-2.9 4,-2.5 2,-0.2 -1,-0.2 0.872 109.8 51.6 -61.2 -37.2 7.0 84.7 4.8 180 181 A S H X S+ 0 0 24 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.954 114.7 41.1 -64.6 -49.8 4.2 82.2 4.0 181 182 A L H X S+ 0 0 2 -4,-2.5 4,-1.9 68,-0.3 -2,-0.2 0.872 114.7 53.7 -65.4 -36.3 3.5 81.5 7.6 182 183 A S H X S+ 0 0 16 -4,-3.0 4,-1.6 -5,-0.2 -1,-0.2 0.896 110.7 45.1 -65.1 -42.0 3.9 85.2 8.5 183 184 A E H X S+ 0 0 104 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.891 110.2 54.5 -69.3 -40.0 1.4 86.2 5.8 184 185 A F H X S+ 0 0 14 -4,-2.3 4,-1.3 1,-0.2 -2,-0.2 0.891 106.6 53.0 -59.0 -40.6 -1.1 83.5 6.9 185 186 A R H < S+ 0 0 58 -4,-1.9 3,-0.2 1,-0.2 -1,-0.2 0.904 110.4 46.4 -62.9 -42.3 -0.9 84.8 10.4 186 187 A D H < S+ 0 0 93 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.831 117.3 43.0 -70.2 -32.8 -1.8 88.4 9.2 187 188 A K H < S+ 0 0 128 -4,-2.1 -1,-0.2 -5,-0.1 -2,-0.2 0.550 79.8 130.2 -91.6 -9.1 -4.7 87.2 7.0 188 189 A X < - 0 0 5 -4,-1.3 41,-0.5 -3,-0.2 2,-0.4 -0.197 49.0-143.8 -48.0 126.8 -6.2 84.7 9.4 189 190 A R - 0 0 115 39,-0.1 41,-0.3 38,-0.1 2,-0.2 -0.816 2.8-133.3-105.2 137.5 -9.9 85.3 9.7 190 191 A F B -b 230 0B 0 39,-2.5 41,-3.0 -2,-0.4 -77,-0.1 -0.484 8.0-141.5 -78.8 149.6 -12.0 84.9 12.9 191 192 A R + 0 0 1 39,-0.2 -1,-0.1 -2,-0.2 2,-0.1 0.910 36.1 173.5 -77.9 -44.9 -15.3 83.0 12.7 192 193 A G - 0 0 0 -83,-0.2 2,-0.5 29,-0.1 -1,-0.1 -0.412 52.8 -23.1 71.4-148.5 -17.1 85.3 15.0 193 194 A I S S+ 0 0 1 21,-0.1 25,-0.1 1,-0.1 -88,-0.1 -0.861 70.3 142.9-100.6 130.9 -20.9 84.7 15.5 194 195 A K > - 0 0 1 -2,-0.5 6,-1.4 1,-0.1 4,-0.6 0.394 50.6-122.9-143.8 -7.2 -22.6 82.9 12.6 195 196 A G T 4 - 0 0 3 4,-0.2 -1,-0.1 3,-0.2 -89,-0.1 -0.242 49.2 -56.7 83.9-178.8 -25.2 80.6 14.1 196 197 A A T 4 S+ 0 0 45 1,-0.2 -1,-0.2 -91,-0.1 40,-0.1 0.721 139.1 20.8 -73.2 -22.8 -25.5 76.9 13.7 197 198 A T T 4 S- 0 0 71 -3,-0.3 39,-0.3 38,-0.1 -1,-0.2 0.351 116.4 -97.2-126.2 2.1 -25.7 77.1 9.9 198 199 A G S < S+ 0 0 16 -4,-0.6 36,-0.3 38,-0.2 -3,-0.2 0.428 97.8 102.8 97.8 0.1 -24.2 80.5 9.2 199 200 A T S S- 0 0 91 34,-0.1 -4,-0.2 1,-0.0 36,-0.0 0.679 73.3-139.9 -89.6 -18.8 -27.4 82.5 8.8 200 201 A Q > + 0 0 37 -6,-1.4 4,-2.3 1,-0.1 3,-0.2 0.699 50.7 146.7 67.1 20.6 -27.3 84.2 12.3 201 202 A D H > + 0 0 98 1,-0.2 4,-2.3 -7,-0.2 5,-0.2 0.847 65.9 54.2 -55.7 -39.2 -31.0 83.7 12.6 202 203 A S H > S+ 0 0 67 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.901 110.9 44.1 -64.1 -43.7 -30.9 83.2 16.3 203 204 A F H > S+ 0 0 1 -99,-0.2 4,-1.5 -3,-0.2 -1,-0.2 0.860 111.0 55.8 -69.4 -35.5 -29.0 86.5 16.9 204 205 A L H <>S+ 0 0 43 -4,-2.3 5,-3.0 2,-0.2 3,-0.5 0.947 110.1 44.1 -61.4 -49.1 -31.3 88.3 14.5 205 206 A T H ><5S+ 0 0 101 -4,-2.3 3,-1.8 1,-0.2 -1,-0.2 0.887 109.9 57.6 -60.9 -39.2 -34.4 87.2 16.5 206 207 A L H 3<5S+ 0 0 43 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.804 110.2 43.7 -61.8 -30.5 -32.5 88.1 19.7 207 208 A F T ><5S- 0 0 14 -4,-1.5 3,-1.7 -3,-0.5 -1,-0.3 0.071 118.8-111.1-102.9 22.1 -32.1 91.6 18.3 208 209 A A T < 5S- 0 0 94 -3,-1.8 -3,-0.2 1,-0.3 -2,-0.1 0.846 76.7 -49.2 52.2 40.9 -35.7 91.8 17.1 209 210 A G T 3 - 0 0 63 -3,-1.7 4,-1.1 -6,-0.4 3,-0.4 -0.656 28.8-173.5 -79.5 106.4 -32.0 94.5 13.6 211 212 A E H > S+ 0 0 146 -2,-1.0 4,-2.6 1,-0.2 5,-0.2 0.825 79.7 62.1 -68.9 -32.7 -29.3 93.2 11.2 212 213 A S H > S+ 0 0 79 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.833 102.6 52.1 -63.9 -30.2 -26.8 96.0 12.1 213 214 A K H > S+ 0 0 65 -3,-0.4 4,-2.3 2,-0.2 -1,-0.2 0.863 108.7 50.1 -72.9 -34.7 -26.8 94.8 15.7 214 215 A V H X S+ 0 0 5 -4,-1.1 4,-2.3 2,-0.2 -2,-0.2 0.933 114.3 44.7 -66.2 -45.1 -26.0 91.3 14.5 215 216 A E H X S+ 0 0 69 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.905 112.9 51.3 -65.1 -41.1 -23.2 92.7 12.4 216 217 A A H X S+ 0 0 33 -4,-2.5 4,-3.1 1,-0.2 -1,-0.2 0.891 109.9 49.9 -63.8 -39.0 -22.1 94.9 15.3 217 218 A L H X S+ 0 0 0 -4,-2.3 4,-2.8 2,-0.2 5,-0.3 0.918 110.4 49.7 -65.1 -42.6 -22.0 91.9 17.6 218 219 A D H X S+ 0 0 1 -4,-2.3 4,-1.5 1,-0.2 -2,-0.2 0.896 116.4 42.4 -62.4 -40.9 -20.0 89.9 15.1 219 220 A E H X S+ 0 0 110 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.888 113.4 52.8 -72.4 -41.0 -17.5 92.7 14.8 220 221 A L H X S+ 0 0 35 -4,-3.1 4,-2.3 2,-0.2 -2,-0.2 0.946 110.5 45.3 -62.3 -50.4 -17.5 93.4 18.5 221 222 A V H X S+ 0 0 0 -4,-2.8 4,-2.0 1,-0.2 -1,-0.2 0.894 112.4 52.7 -61.6 -39.2 -16.7 89.8 19.5 222 223 A T H <>S+ 0 0 4 -4,-1.5 5,-2.4 -5,-0.3 -1,-0.2 0.904 109.4 49.7 -62.1 -40.0 -14.0 89.7 16.8 223 224 A K H ><5S+ 0 0 151 -4,-2.2 3,-1.2 1,-0.2 -2,-0.2 0.892 109.5 50.2 -66.3 -41.1 -12.5 92.9 18.2 224 225 A K H 3<5S+ 0 0 56 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.866 107.0 54.6 -65.5 -35.7 -12.5 91.5 21.8 225 226 A A T 3<5S- 0 0 6 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.450 118.3-116.5 -76.4 -1.4 -10.8 88.4 20.6 226 227 A N T < 5 + 0 0 120 -3,-1.2 2,-0.4 1,-0.2 -3,-0.2 0.842 66.3 141.1 68.5 38.0 -8.1 90.6 19.0 227 228 A F < - 0 0 9 -5,-2.4 -1,-0.2 1,-0.1 -2,-0.1 -0.928 38.8-165.7-112.4 135.4 -8.7 89.7 15.4 228 229 A S S S+ 0 0 117 -2,-0.4 2,-0.3 -40,-0.2 -1,-0.1 0.706 77.6 47.1 -87.7 -22.9 -8.6 92.3 12.6 229 230 A N 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99.5-145.1 4.3 45.1 83.6 -20.1 385 430 A R H X S+ 0 0 34 -4,-2.3 4,-2.8 1,-0.2 5,-0.2 0.957 87.7 44.2 -61.9 -53.7 47.8 81.8 -18.1 386 431 A D H > S+ 0 0 132 -4,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.888 112.6 52.6 -59.6 -41.7 48.4 84.6 -15.6 387 432 A R H > S+ 0 0 181 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.920 113.5 42.8 -61.9 -45.3 44.7 85.2 -15.1 388 433 A V H X S+ 0 0 3 -4,-2.0 4,-2.5 2,-0.2 3,-0.2 0.913 111.6 53.9 -67.1 -44.8 44.0 81.6 -14.3 389 434 A V H X S+ 0 0 39 -4,-2.8 4,-1.6 1,-0.3 -1,-0.2 0.889 107.2 53.4 -56.7 -38.6 47.1 81.2 -12.1 390 435 A G H X S+ 0 0 28 -4,-2.2 4,-0.6 -5,-0.2 -1,-0.3 0.868 107.8 49.6 -64.5 -36.6 45.8 84.2 -10.2 391 436 A L H < S+ 0 0 20 -4,-1.4 3,-0.5 -3,-0.2 6,-0.3 0.898 109.6 51.3 -68.7 -40.7 42.4 82.5 -9.7 392 437 A V H < S+ 0 0 32 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.788 111.7 46.4 -67.7 -28.7 44.1 79.3 -8.4 393 438 A N H < S+ 0 0 113 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.581 124.7 35.0 -87.7 -10.5 46.2 81.2 -5.9 394 439 A N >< + 0 0 82 -4,-0.6 3,-2.6 -3,-0.5 -1,-0.3 -0.560 68.0 177.9-143.3 72.0 43.1 83.1 -4.8 395 440 A P G > S+ 0 0 36 0, 0.0 3,-3.0 0, 0.0 4,-0.3 0.788 75.4 73.0 -44.1 -37.8 40.1 80.7 -5.0 396 441 A I G > S+ 0 0 52 1,-0.3 3,-1.2 2,-0.2 7,-0.2 0.788 91.0 57.4 -52.9 -29.5 37.7 83.4 -3.7 397 442 A N G < S+ 0 0 108 -3,-2.6 3,-0.3 -6,-0.3 -1,-0.3 0.493 97.5 63.9 -81.0 -0.9 38.0 85.2 -7.1 398 443 A F G < S+ 0 0 30 -3,-3.0 -238,-0.5 -7,-0.2 -1,-0.2 0.396 84.9 77.9 -98.6 -1.4 36.7 82.0 -8.7 399 444 A T S X S- 0 0 7 -3,-1.2 3,-2.2 1,-0.3 -1,-0.2 0.125 81.8-149.1 -98.4 20.2 33.4 82.3 -6.9 400 445 A G T 3 - 0 0 70 -3,-0.3 3,-0.3 1,-0.2 -1,-0.3 -0.202 69.3 -19.0 50.7-130.5 31.7 85.0 -9.1 401 446 A R T 3> S+ 0 0 171 1,-0.2 4,-2.6 2,-0.1 5,-0.3 0.124 94.3 122.7 -97.6 22.2 29.4 87.1 -7.1 402 447 A C H <> S+ 0 0 7 -3,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.892 74.8 49.6 -47.5 -49.2 28.9 84.8 -4.1 403 448 A V H > S+ 0 0 29 -3,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.942 114.3 40.1 -60.3 -54.6 30.1 87.4 -1.6 404 449 A S H > S+ 0 0 47 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.881 115.1 53.8 -65.3 -36.6 28.0 90.4 -2.7 405 450 A Q H X S+ 0 0 70 -4,-2.6 4,-2.2 1,-0.2 5,-0.2 0.928 109.1 49.5 -61.0 -45.4 24.9 88.1 -3.2 406 451 A T H X S+ 0 0 0 -4,-2.4 4,-1.7 -5,-0.3 -2,-0.2 0.901 115.4 42.2 -59.8 -45.8 25.3 86.8 0.3 407 452 A E H X S+ 0 0 79 -4,-2.0 4,-2.8 2,-0.2 5,-0.3 0.931 114.9 47.1 -71.1 -47.8 25.6 90.2 1.9 408 453 A S H X S+ 0 0 42 -4,-2.8 4,-2.8 2,-0.2 5,-0.4 0.897 111.5 52.1 -64.3 -38.1 22.9 92.0 -0.0 409 454 A F H X>S+ 0 0 28 -4,-2.2 5,-2.4 -5,-0.3 4,-2.1 0.959 114.6 42.4 -61.4 -49.5 20.4 89.1 0.5 410 455 A I H <>S+ 0 0 2 -4,-1.7 5,-2.9 -5,-0.2 -2,-0.2 0.945 121.1 39.9 -62.0 -50.0 20.9 89.2 4.2 411 456 A A H <5S+ 0 0 61 -4,-2.8 -2,-0.2 1,-0.2 -3,-0.2 0.888 127.6 30.2 -68.4 -42.3 20.9 93.0 4.6 412 457 A K H <5S+ 0 0 158 -4,-2.8 -3,-0.2 -5,-0.3 -2,-0.2 0.618 135.6 15.1 -97.8 -12.9 18.1 93.8 2.2 413 458 A E T X5S+ 0 0 81 -4,-2.1 4,-1.0 -5,-0.4 -3,-0.2 0.701 122.6 43.7-124.6 -53.2 15.9 90.8 2.3 414 459 A L H >X S+ 0 0 0 -4,-2.1 3,-2.8 1,-0.1 4,-0.8 0.664 95.6 92.1 -98.2 -19.1 12.6 88.8 10.4 419 464 A D G >< S+ 0 0 85 -4,-3.3 3,-1.0 -5,-0.3 -1,-0.1 0.824 82.1 58.8 -44.9 -40.9 13.9 91.7 12.4 420 465 A K G 34 S+ 0 0 159 -4,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.610 106.6 49.0 -68.7 -10.2 10.5 92.6 13.8 421 466 A Y G <4 S+ 0 0 53 -3,-2.8 2,-0.7 -294,-0.1 -1,-0.2 0.536 92.9 84.3-103.7 -12.0 10.3 89.1 15.4 422 467 A L << 0 0 32 -3,-1.0 -293,-0.0 -4,-0.8 -294,-0.0 -0.850 360.0 360.0 -94.4 115.9 13.7 89.1 17.0 423 468 A D 0 0 207 -2,-0.7 -3,-0.0 -295,-0.1 -4,-0.0 -0.165 360.0 360.0 45.3 360.0 13.5 90.8 20.4