==== 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 LIGAND BINDING PROTEIN 06-DEC-04 1Y6I . COMPND 2 MOLECULE: MG-CHELATASE COFACTOR GUN4; . SOURCE 2 ORGANISM_SCIENTIFIC: SYNECHOCYSTIS SP.; . AUTHOR M.A.VERDECIA,R.M.LARKIN,J.L.FERRER,R.RIEK,J.CHORY,J.P.NOEL . 233 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11684.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 152 65.2 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 . 0 0.0 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 . 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 . 1 0.4 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 . 10 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 103 44.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 2.1 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 0 0 1 2 1 2 0 1 2 0 1 1 0 0 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 . 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 0 137 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -48.4 21.3 -5.7 -19.4 2 2 A S H > + 0 0 81 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.835 360.0 57.4 -55.8 -36.0 23.4 -4.2 -16.7 3 3 A D H > S+ 0 0 122 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.953 109.7 42.4 -61.3 -51.5 26.6 -4.9 -18.6 4 4 A N H > S+ 0 0 97 2,-0.2 4,-3.8 1,-0.2 5,-0.3 0.924 113.1 53.0 -63.0 -43.6 25.5 -3.0 -21.7 5 5 A L H X S+ 0 0 26 -4,-2.5 4,-3.3 1,-0.2 5,-0.2 0.942 110.4 47.4 -56.9 -48.9 24.1 -0.1 -19.6 6 6 A T H X S+ 0 0 79 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.934 115.3 45.1 -57.8 -47.2 27.4 0.2 -17.8 7 7 A E H X S+ 0 0 86 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.977 115.8 46.3 -60.7 -54.8 29.4 0.1 -21.0 8 8 A L H X S+ 0 0 23 -4,-3.8 4,-2.6 1,-0.2 -2,-0.2 0.877 112.3 52.2 -53.7 -42.1 27.0 2.6 -22.8 9 9 A S H X S+ 0 0 27 -4,-3.3 4,-2.2 -5,-0.3 -1,-0.2 0.900 107.7 50.9 -63.1 -42.1 27.1 4.8 -19.7 10 10 A Q H X S+ 0 0 102 -4,-2.3 4,-3.0 -5,-0.2 5,-0.4 0.891 110.8 49.4 -65.4 -34.9 30.9 4.8 -19.7 11 11 A Q H X S+ 0 0 53 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.937 108.5 52.7 -68.5 -44.2 30.9 5.8 -23.4 12 12 A L H < S+ 0 0 0 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.926 118.9 36.0 -58.0 -42.8 28.4 8.6 -22.8 13 13 A H H < S+ 0 0 63 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.900 132.0 20.2 -79.3 -40.0 30.7 10.0 -20.1 14 14 A D H < S+ 0 0 134 -4,-3.0 -3,-0.2 -5,-0.2 -2,-0.2 0.587 92.5 96.8-110.9 -15.0 34.2 9.3 -21.3 15 15 A A S < S- 0 0 37 -4,-2.2 2,-0.1 -5,-0.4 5,-0.1 -0.175 84.9 -77.5 -71.7 172.3 34.3 8.8 -25.1 16 16 A S >> - 0 0 71 1,-0.1 3,-2.2 3,-0.0 4,-1.1 -0.382 48.2-102.3 -67.8 150.1 35.2 11.5 -27.6 17 17 A E T 34 S+ 0 0 184 1,-0.3 -1,-0.1 2,-0.2 4,-0.1 0.246 122.2 61.7 -60.5 19.3 32.4 14.0 -28.5 18 18 A K T 34 S+ 0 0 171 -2,-0.8 4,-0.4 2,-0.1 -1,-0.3 0.647 105.8 40.0-113.0 -36.6 32.0 11.9 -31.7 19 19 A K T <> S+ 0 0 92 -3,-2.2 4,-1.5 1,-0.2 -2,-0.2 0.514 95.7 80.8 -94.5 -8.0 31.1 8.6 -30.1 20 20 A Q H X S+ 0 0 23 -4,-1.1 4,-2.6 1,-0.2 -1,-0.2 0.923 88.7 55.5 -62.4 -43.8 28.8 10.1 -27.4 21 21 A L H > S+ 0 0 59 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.881 104.8 53.3 -57.9 -40.8 25.9 10.5 -29.9 22 22 A T H > S+ 0 0 73 -4,-0.4 4,-1.9 1,-0.2 -1,-0.2 0.914 110.7 45.5 -60.2 -45.3 26.1 6.8 -30.7 23 23 A A H X S+ 0 0 0 -4,-1.5 4,-2.9 2,-0.2 -2,-0.2 0.907 110.5 54.8 -67.8 -38.4 25.8 5.8 -27.1 24 24 A I H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.942 107.2 49.6 -60.9 -48.6 23.0 8.3 -26.5 25 25 A A H X S+ 0 0 49 -4,-2.7 4,-1.1 1,-0.2 -1,-0.2 0.933 113.9 45.8 -56.6 -43.9 20.9 6.8 -29.3 26 26 A A H >< S+ 0 0 31 -4,-1.9 3,-0.6 1,-0.2 4,-0.2 0.918 110.5 52.8 -66.9 -44.0 21.4 3.3 -27.9 27 27 A L H >< S+ 0 0 0 -4,-2.9 3,-1.9 1,-0.2 -1,-0.2 0.891 102.8 58.9 -56.9 -40.7 20.7 4.3 -24.4 28 28 A A H 3< S+ 0 0 5 -4,-2.3 3,-0.3 1,-0.3 -1,-0.2 0.846 108.6 45.3 -58.8 -34.2 17.4 5.9 -25.5 29 29 A E T << S+ 0 0 163 -4,-1.1 -1,-0.3 -3,-0.6 -2,-0.2 0.354 90.6 85.0 -92.0 6.1 16.3 2.5 -26.8 30 30 A M S X> S- 0 0 50 -3,-1.9 4,-1.6 1,-0.3 3,-0.5 -0.092 93.4-129.7 -94.2 30.3 17.4 0.6 -23.7 31 31 A G H 3> - 0 0 34 -3,-0.3 4,-2.7 1,-0.2 -1,-0.3 -0.054 62.3 -18.6 59.1-154.5 14.1 1.3 -21.9 32 32 A E H 3> S+ 0 0 157 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.845 136.6 53.8 -56.5 -38.4 13.9 2.8 -18.4 33 33 A G H <> S+ 0 0 23 -3,-0.5 4,-1.3 2,-0.2 -1,-0.2 0.918 113.7 41.1 -66.1 -41.0 17.4 1.8 -17.5 34 34 A G H X S+ 0 0 0 -4,-1.6 4,-2.0 2,-0.2 -2,-0.2 0.927 115.7 49.6 -72.2 -42.9 19.0 3.6 -20.4 35 35 A Q H X S+ 0 0 42 -4,-2.7 4,-2.8 1,-0.2 -1,-0.2 0.862 107.4 57.1 -63.0 -31.4 16.7 6.6 -20.2 36 36 A G H X S+ 0 0 26 -4,-1.9 4,-2.1 -5,-0.3 -1,-0.2 0.891 105.5 49.0 -68.5 -34.7 17.5 6.8 -16.5 37 37 A I H X S+ 0 0 32 -4,-1.3 4,-1.8 2,-0.2 -1,-0.2 0.904 110.5 51.5 -69.9 -38.5 21.2 7.1 -17.3 38 38 A L H X S+ 0 0 0 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.927 109.5 50.6 -63.3 -44.6 20.4 9.8 -19.9 39 39 A L H X S+ 0 0 27 -4,-2.8 4,-2.0 1,-0.2 -2,-0.2 0.894 108.8 50.2 -62.5 -38.6 18.4 11.7 -17.2 40 40 A D H X S+ 0 0 80 -4,-2.1 4,-1.4 2,-0.2 -1,-0.2 0.866 107.4 55.2 -66.3 -38.2 21.2 11.5 -14.6 41 41 A Y H X S+ 0 0 16 -4,-1.8 4,-0.7 1,-0.2 3,-0.4 0.941 108.2 48.9 -61.6 -46.7 23.7 12.8 -17.2 42 42 A L H >X S+ 0 0 0 -4,-2.2 3,-1.7 1,-0.2 4,-0.9 0.951 107.7 54.3 -55.5 -50.4 21.5 15.9 -17.8 43 43 A A H 3< S+ 0 0 59 -4,-2.0 -1,-0.2 1,-0.3 3,-0.2 0.794 110.3 47.6 -56.1 -29.3 21.1 16.6 -14.1 44 44 A K H 3< S+ 0 0 112 -4,-1.4 -1,-0.3 -3,-0.4 -2,-0.2 0.562 117.6 39.8 -88.8 -8.4 24.9 16.7 -13.8 45 45 A N H << S+ 0 0 63 -3,-1.7 -2,-0.2 -4,-0.7 -1,-0.2 0.317 90.5 128.3-125.4 7.8 25.5 18.9 -16.7 46 46 A V < + 0 0 30 -4,-0.9 2,-0.1 -3,-0.2 37,-0.1 -0.963 50.1 42.9-122.8 142.7 22.7 21.5 -16.6 47 47 A P S S- 0 0 97 0, 0.0 2,-0.4 0, 0.0 36,-0.2 0.407 87.6-135.4 -72.2 155.4 22.6 24.5 -16.6 48 48 A L - 0 0 9 34,-1.2 -2,-0.1 -2,-0.1 -3,-0.0 -0.670 23.0-173.1 -84.3 131.5 25.1 24.9 -19.4 49 49 A E S S+ 0 0 171 -2,-0.4 -1,-0.1 1,-0.2 34,-0.1 0.506 86.0 19.0 -92.1 -10.9 27.8 27.7 -19.0 50 50 A K S S- 0 0 148 98,-0.0 2,-0.3 2,-0.0 -1,-0.2 -0.971 100.5 -90.6-151.2 151.8 28.9 26.9 -22.6 51 51 A P - 0 0 31 0, 0.0 2,-0.5 0, 0.0 32,-0.1 -0.555 43.6-176.4 -71.3 126.0 27.1 25.1 -25.4 52 52 A V >> - 0 0 61 -2,-0.3 4,-1.6 1,-0.1 3,-0.9 -0.973 17.4-151.7-125.2 112.7 27.9 21.4 -25.2 53 53 A L H 3> S+ 0 0 46 -2,-0.5 4,-2.7 1,-0.3 5,-0.2 0.859 91.2 58.4 -57.9 -38.4 26.4 19.3 -28.0 54 54 A A H 3> S+ 0 0 6 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.874 104.6 52.4 -60.0 -33.7 26.1 16.1 -26.2 55 55 A V H <> S+ 0 0 1 -3,-0.9 4,-2.5 2,-0.2 -1,-0.2 0.913 110.0 48.1 -70.1 -40.4 23.9 17.7 -23.5 56 56 A G H X S+ 0 0 0 -4,-1.6 4,-2.8 1,-0.2 5,-0.3 0.923 112.8 49.2 -64.8 -41.6 21.6 19.1 -26.3 57 57 A N H X S+ 0 0 14 -4,-2.7 4,-2.5 2,-0.2 5,-0.2 0.848 109.1 52.1 -67.8 -33.7 21.5 15.6 -27.9 58 58 A V H X S+ 0 0 0 -4,-2.3 4,-1.9 -5,-0.2 -2,-0.2 0.962 114.2 42.6 -64.0 -50.5 20.7 14.0 -24.6 59 59 A Y H X S+ 0 0 6 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.937 118.2 44.4 -59.0 -47.4 17.8 16.3 -24.0 60 60 A Q H X S+ 0 0 7 -4,-2.8 4,-2.7 92,-0.2 -1,-0.2 0.889 109.5 54.9 -70.5 -38.7 16.5 16.2 -27.5 61 61 A T H X S+ 0 0 30 -4,-2.5 4,-0.7 -5,-0.3 -1,-0.2 0.925 110.6 48.0 -58.7 -40.8 16.8 12.5 -27.9 62 62 A L H >< S+ 0 0 0 -4,-1.9 3,-0.8 -5,-0.2 5,-0.4 0.904 111.8 49.0 -67.8 -37.7 14.7 12.1 -24.7 63 63 A R H >< S+ 0 0 41 -4,-2.1 3,-2.0 1,-0.2 -1,-0.2 0.901 104.4 60.3 -66.6 -37.5 12.2 14.6 -26.1 64 64 A N H 3< S+ 0 0 78 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.656 86.2 74.5 -67.6 -14.2 12.0 12.7 -29.4 65 65 A L T << S- 0 0 46 -3,-0.8 -1,-0.3 -4,-0.7 -2,-0.2 0.681 92.6-146.6 -66.2 -20.1 10.8 9.6 -27.6 66 66 A E < + 0 0 161 -3,-2.0 2,-0.5 -4,-0.3 -2,-0.1 0.904 41.0 152.1 50.8 49.6 7.5 11.4 -27.3 67 67 A Q > - 0 0 100 -5,-0.4 4,-2.7 1,-0.1 5,-0.3 -0.950 44.6-143.6-109.0 123.4 6.6 9.9 -24.0 68 68 A E H > S+ 0 0 132 -2,-0.5 4,-2.9 1,-0.2 5,-0.3 0.911 100.1 53.2 -50.3 -46.0 4.3 12.0 -21.8 69 69 A T H > S+ 0 0 94 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.923 113.4 41.6 -58.7 -48.8 6.1 10.9 -18.6 70 70 A I H > S+ 0 0 9 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.908 116.3 48.2 -65.3 -46.1 9.6 11.8 -19.9 71 71 A T H X S+ 0 0 39 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.912 113.1 48.2 -63.0 -42.0 8.5 15.1 -21.5 72 72 A T H X S+ 0 0 72 -4,-2.9 4,-2.1 -5,-0.3 -1,-0.2 0.898 112.0 49.3 -64.6 -39.6 6.6 16.2 -18.3 73 73 A Q H X S+ 0 0 81 -4,-2.0 4,-2.7 -5,-0.3 5,-0.2 0.890 111.1 50.4 -68.0 -36.7 9.5 15.3 -16.1 74 74 A L H X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.872 109.5 50.3 -70.9 -35.3 11.8 17.3 -18.5 75 75 A Q H < S+ 0 0 99 -4,-2.2 -1,-0.2 2,-0.2 -2,-0.2 0.911 113.2 47.0 -65.9 -40.0 9.5 20.3 -18.3 76 76 A R H < S+ 0 0 209 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.947 120.9 35.9 -68.7 -45.7 9.5 20.1 -14.5 77 77 A N H < S+ 0 0 77 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.802 132.3 26.8 -79.9 -29.9 13.2 19.7 -14.2 78 78 A Y >< + 0 0 25 -4,-2.7 3,-2.4 -5,-0.2 -1,-0.2 -0.569 68.8 167.5-132.7 65.3 14.3 22.0 -17.1 79 79 A P T 3 S+ 0 0 65 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.673 85.0 32.0 -54.3 -23.9 11.4 24.5 -17.4 80 80 A T T 3 S- 0 0 71 1,-0.5 3,-0.4 -3,-0.1 2,-0.1 0.090 119.2-109.3-121.0 23.0 13.4 26.7 -19.6 81 81 A G < - 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0 0 56 -3,-1.8 -3,-0.2 1,-0.2 -2,-0.2 0.765 67.3 -69.5 70.8 24.8 35.8 30.9 -50.1 172 172 A K T 3 - 0 0 106 -3,-0.7 4,-2.0 -6,-0.4 3,-1.5 -0.839 38.9-163.2 -99.8 110.9 31.4 33.0 -52.2 174 174 A F H 3> S+ 0 0 22 -2,-0.8 4,-2.4 1,-0.3 -1,-0.2 0.819 86.3 67.8 -62.8 -28.8 27.7 33.2 -51.8 175 175 A T H 34 S+ 0 0 115 1,-0.2 -1,-0.3 2,-0.2 10,-0.1 0.793 110.7 36.2 -61.5 -26.5 27.1 31.7 -55.3 176 176 A K H <> S+ 0 0 101 -3,-1.5 4,-1.4 -6,-0.2 -1,-0.2 0.801 113.9 57.1 -93.4 -33.1 28.6 28.4 -53.9 177 177 A L H X S+ 0 0 0 -4,-2.0 4,-2.0 1,-0.2 5,-0.2 0.926 98.8 58.7 -64.1 -46.8 27.1 28.7 -50.4 178 178 A W H X>S+ 0 0 21 -4,-2.4 5,-2.4 1,-0.2 4,-0.8 0.893 107.5 43.1 -54.0 -45.2 23.5 28.9 -51.4 179 179 A P H >45S+ 0 0 95 0, 0.0 3,-0.6 0, 0.0 -1,-0.2 0.897 110.3 59.6 -70.3 -31.2 23.3 25.6 -53.2 180 180 A K H 3<5S+ 0 0 132 -4,-1.4 -2,-0.2 1,-0.2 -3,-0.1 0.905 114.6 33.6 -59.3 -40.3 25.2 24.0 -50.5 181 181 A I H 3<5S- 0 0 0 -4,-2.0 -1,-0.2 2,-0.1 -3,-0.1 0.402 117.0-108.5-100.6 8.2 22.6 25.0 -47.8 182 182 A G T <<5 + 0 0 17 -4,-0.8 2,-0.7 -3,-0.6 15,-0.1 0.798 69.8 138.4 77.0 30.0 19.6 24.6 -50.2 183 183 A W < - 0 0 11 -5,-2.4 -1,-0.2 -6,-0.1 2,-0.2 -0.913 43.7-147.5-110.9 102.4 18.5 28.2 -50.7 184 184 A K > - 0 0 155 -2,-0.7 3,-2.2 1,-0.1 -6,-0.0 -0.432 23.2-101.6 -73.7 142.0 17.7 28.4 -54.4 185 185 A S T 3 S+ 0 0 116 1,-0.3 -1,-0.1 -2,-0.2 3,-0.1 -0.333 108.9 20.9 -59.3 139.1 18.3 31.6 -56.3 186 186 A G T 3 S+ 0 0 68 1,-0.2 2,-1.7 26,-0.1 -1,-0.3 0.412 84.8 120.1 82.2 -7.2 15.1 33.5 -56.7 187 187 A N < + 0 0 41 -3,-2.2 25,-0.4 2,-0.0 2,-0.3 -0.687 46.0 133.2 -92.2 83.8 13.3 31.7 -53.9 188 188 A V - 0 0 56 -2,-1.7 2,-0.3 23,-0.1 4,-0.1 -0.904 38.7-150.3-130.5 158.1 12.7 35.0 -52.1 189 189 A W - 0 0 14 -2,-0.3 24,-0.2 -61,-0.2 -2,-0.0 -0.923 27.5-172.2-137.2 161.1 9.7 36.5 -50.4 190 190 A T S S+ 0 0 88 -2,-0.3 -62,-0.2 2,-0.2 -1,-0.1 0.572 97.2 16.2-116.8 -23.6 7.9 39.7 -49.4 191 191 A R S S- 0 0 189 1,-0.3 -2,-0.1 -63,-0.1 0, 0.0 0.730 129.2 -8.0-118.5 -43.9 5.1 38.3 -47.2 192 192 A W - 0 0 162 -4,-0.1 -1,-0.3 -64,-0.0 -2,-0.2 -0.971 68.9-107.1-157.6 143.3 6.0 34.7 -46.2 193 193 A P + 0 0 10 0, 0.0 2,-0.3 0, 0.0 -5,-0.0 -0.393 37.3 178.4 -73.4 147.5 8.6 32.1 -47.1 194 194 A K + 0 0 130 -2,-0.1 3,-0.1 1,-0.1 -2,-0.0 -0.974 50.6 35.7-146.2 159.5 7.9 29.1 -49.2 195 195 A G S S+ 0 0 73 -2,-0.3 2,-0.2 1,-0.3 -1,-0.1 0.542 81.2 126.7 80.1 5.0 9.6 26.0 -50.7 196 196 A F - 0 0 22 -13,-0.1 2,-0.8 -3,-0.0 -1,-0.3 -0.519 63.5-117.1 -93.4 169.1 12.0 25.5 -47.7 197 197 A T - 0 0 51 -2,-0.2 2,-1.2 -15,-0.1 5,-0.1 -0.856 24.3-172.9-109.7 94.4 12.6 22.3 -45.7 198 198 A W + 0 0 44 -2,-0.8 -92,-0.5 3,-0.1 -93,-0.5 -0.305 59.0 66.4 -87.5 51.9 11.6 22.9 -42.1 199 199 A D S > S- 0 0 75 -2,-1.2 3,-1.9 -94,-0.1 -2,-0.1 -0.958 97.3 -87.8-155.8 170.6 12.9 19.6 -40.7 200 200 A L T 3 S+ 0 0 81 -2,-0.3 -2,-0.1 1,-0.3 4,-0.0 0.427 111.7 76.8 -68.3 4.7 16.1 17.8 -40.1 201 201 A S T 3 S+ 0 0 97 2,-0.0 -1,-0.3 3,-0.0 3,-0.1 0.640 79.1 104.2 -84.9 -10.2 16.1 16.1 -43.5 202 202 A A S < S- 0 0 12 -3,-1.9 3,-0.1 -5,-0.1 -20,-0.1 -0.180 86.5 -86.4 -64.0 160.4 17.3 19.5 -44.7 203 203 A P > - 0 0 50 0, 0.0 3,-2.0 0, 0.0 4,-0.2 -0.246 56.0 -84.9 -62.3 155.0 20.9 20.3 -45.7 204 204 A Q T 3 S+ 0 0 101 1,-0.3 -46,-0.2 -24,-0.1 -47,-0.1 -0.413 120.0 20.4 -58.9 132.4 23.3 21.3 -43.0 205 205 A G T 3 S+ 0 0 0 -48,-3.1 -1,-0.3 2,-0.1 -47,-0.1 0.415 83.3 127.6 88.3 -2.1 22.9 25.1 -42.5 206 206 A H < + 0 0 3 -3,-2.0 -2,-0.1 -49,-0.3 -48,-0.1 0.830 55.7 85.3 -57.6 -36.6 19.4 25.3 -44.1 207 207 A L + 0 0 0 -4,-0.2 -48,-2.3 -50,-0.2 -2,-0.1 -0.873 61.4 43.1-125.6 156.2 17.9 27.1 -41.1 208 208 A P S S- 0 0 1 0, 0.0 2,-0.2 0, 0.0 -49,-0.1 0.596 87.5-131.8 -72.1 154.2 17.4 29.7 -39.7 209 209 A L - 0 0 12 -2,-0.1 2,-0.5 1,-0.0 -2,-0.1 -0.521 16.7-161.0 -79.8 144.8 16.5 31.4 -43.0 210 210 A L - 0 0 14 -2,-0.2 -81,-0.1 -81,-0.0 9,-0.1 -0.973 29.4-124.3-121.8 107.4 17.9 34.7 -44.1 211 211 A N - 0 0 23 -2,-0.5 3,-0.5 1,-0.2 -81,-0.2 -0.289 15.7-158.4 -51.3 128.9 15.6 36.1 -46.9 212 212 A Q > + 0 0 35 -25,-0.4 3,-2.1 1,-0.2 -1,-0.2 0.340 63.1 110.3 -96.0 8.2 17.6 36.8 -50.0 213 213 A L T 3 S+ 0 0 68 1,-0.3 -1,-0.2 -24,-0.2 3,-0.1 0.912 88.8 36.7 -41.5 -45.2 15.1 39.3 -51.4 214 214 A R T 3 S- 0 0 141 -3,-0.5 3,-0.4 1,-0.3 -1,-0.3 0.254 118.4-110.7 -97.1 12.4 17.6 42.0 -50.7 215 215 A G X - 0 0 33 -3,-2.1 3,-0.5 1,-0.2 -1,-0.3 -0.260 49.0 -49.5 90.4-177.8 20.8 40.2 -51.6 216 216 A V T 3> S+ 0 0 52 1,-0.2 4,-2.8 2,-0.1 5,-0.2 0.394 99.1 97.7 -79.7 -4.6 23.7 38.9 -49.5 217 217 A R H 3> S+ 0 0 150 -3,-0.4 4,-2.5 1,-0.2 -1,-0.2 0.844 84.3 47.9 -58.2 -44.3 24.6 42.0 -47.4 218 218 A V H <> S+ 0 0 25 -3,-0.5 4,-2.0 2,-0.2 -1,-0.2 0.887 114.1 47.8 -64.8 -39.8 22.7 41.0 -44.3 219 219 A A H > S+ 0 0 0 -4,-0.3 4,-3.1 2,-0.2 5,-0.3 0.962 111.9 49.4 -66.5 -45.7 24.1 37.5 -44.3 220 220 A E H X S+ 0 0 51 -4,-2.8 4,-2.0 1,-0.2 -2,-0.2 0.951 112.1 48.5 -57.0 -46.3 27.7 38.7 -44.9 221 221 A S H < S+ 0 0 15 -4,-2.5 4,-0.3 1,-0.2 -1,-0.2 0.866 113.1 49.3 -63.0 -35.7 27.3 41.2 -42.0 222 222 A L H >< S+ 0 0 3 -4,-2.0 3,-1.0 -5,-0.2 -1,-0.2 0.938 111.5 46.0 -70.1 -42.7 25.9 38.5 -39.8 223 223 A Y H 3< S+ 0 0 1 -4,-3.1 -2,-0.2 1,-0.3 -1,-0.2 0.787 114.1 49.9 -71.9 -23.2 28.7 36.0 -40.6 224 224 A R T 3< S+ 0 0 146 -4,-2.0 -1,-0.3 -5,-0.3 -2,-0.2 0.486 83.4 122.4 -92.4 -0.3 31.3 38.7 -40.0 225 225 A H S X S- 0 0 13 -3,-1.0 3,-1.1 -4,-0.3 4,-0.4 -0.337 71.7-122.2 -61.1 141.8 29.8 39.7 -36.7 226 226 A P T 3> S+ 0 0 83 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.674 96.6 83.4 -62.5 -15.4 32.3 39.5 -33.8 227 227 A V H 3> S+ 0 0 0 1,-0.2 4,-2.8 2,-0.2 6,-0.3 0.851 83.0 59.4 -57.2 -36.9 30.1 37.1 -31.8 228 228 A W H <4>S+ 0 0 0 -3,-1.1 5,-2.8 1,-0.2 4,-0.3 0.959 115.0 32.9 -62.1 -53.7 31.3 33.9 -33.6 229 229 A S H >45S+ 0 0 91 -4,-0.4 3,-0.9 3,-0.2 -1,-0.2 0.874 116.3 59.5 -65.4 -38.2 35.0 34.4 -32.8 230 230 A Q H 3<5S+ 0 0 119 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.887 115.6 32.3 -58.7 -41.2 34.1 35.9 -29.5 231 231 A Y T 3<5S- 0 0 84 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.194 116.2-105.1-103.9 13.9 32.2 32.8 -28.3 232 232 A G T < 5 0 0 66 -3,-0.9 -3,-0.2 -4,-0.3 -4,-0.1 0.770 360.0 360.0 72.6 28.0 34.3 30.2 -30.1 233 233 A W < 0 0 44 -5,-2.8 -4,-0.2 -6,-0.3 -5,-0.1 0.508 360.0 360.0 -83.4 360.0 32.0 29.2 -33.0