==== 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 OXIDOREDUCTASE 03-JUN-04 1TJ1 . COMPND 2 MOLECULE: BIFUNCTIONAL PUTA PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR J.J.TANNER,M.ZHANG,T.A.WHITE,J.P.SCHUERMANN,B.A.BABAN,D.F.BE . 449 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20891.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 319 71.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 43 9.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 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 . 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 . 17 3.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 55 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 188 41.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.6 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 6 0 2 0 0 1 1 2 5 0 1 0 1 0 0 1 0 1 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 4 1 2 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 PARALLEL BRIDGES PER LADDER . 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 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 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 89 A S > 0 0 97 0, 0.0 4,-2.3 0, 0.0 5,-0.3 0.000 360.0 360.0 360.0 170.4 12.3 21.7 61.0 2 90 A V H > + 0 0 139 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.923 360.0 45.5 -54.4 -41.9 8.6 21.0 60.4 3 91 A S H > S+ 0 0 18 1,-0.2 4,-1.3 2,-0.2 254,-0.2 0.919 113.3 47.8 -77.9 -41.2 8.1 24.8 59.6 4 92 A R H > S+ 0 0 36 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.874 110.1 52.1 -60.6 -42.2 11.1 25.2 57.4 5 93 A A H X S+ 0 0 61 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.866 106.6 53.9 -63.8 -36.9 10.4 22.1 55.3 6 94 A A H X S+ 0 0 39 -4,-1.5 4,-0.8 -5,-0.3 -1,-0.2 0.835 106.5 52.3 -71.3 -27.7 6.9 23.3 54.7 7 95 A I H >X S+ 0 0 0 -4,-1.3 3,-1.1 246,-0.2 4,-0.6 0.960 109.3 50.0 -63.9 -52.5 8.3 26.6 53.3 8 96 A T H >< S+ 0 0 77 -4,-2.1 3,-0.9 1,-0.2 4,-0.2 0.867 108.4 52.1 -52.2 -42.0 10.5 24.7 51.0 9 97 A A H 3< S+ 0 0 72 -4,-2.0 -1,-0.2 1,-0.2 3,-0.2 0.651 108.5 51.0 -78.1 -15.3 7.6 22.6 49.7 10 98 A A H X< S+ 0 0 0 -3,-1.1 3,-1.3 -4,-0.8 -1,-0.2 0.473 75.9 112.3 -93.2 -5.3 5.5 25.7 48.9 11 99 A Y T << S- 0 0 47 -3,-0.9 238,-0.4 -4,-0.6 239,-0.3 0.820 98.6 -1.0 -35.5 -58.2 8.2 27.4 46.9 12 100 A R T 3 S+ 0 0 67 -4,-0.2 -1,-0.3 -3,-0.2 282,-0.1 -0.082 84.3 161.8-132.0 40.9 6.5 27.2 43.5 13 101 A R < - 0 0 53 -3,-1.3 281,-0.1 1,-0.1 5,-0.1 -0.240 53.0 -83.8 -64.8 149.4 3.2 25.4 44.1 14 102 A P > - 0 0 73 0, 0.0 4,-2.4 0, 0.0 3,-0.3 -0.211 34.2-126.8 -51.7 140.6 0.5 25.7 41.4 15 103 A E H > S+ 0 0 9 1,-0.2 4,-2.4 2,-0.2 5,-0.4 0.755 107.8 59.9 -62.8 -32.3 -1.6 28.9 41.7 16 104 A T H > S+ 0 0 32 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.939 112.7 40.5 -61.5 -42.9 -4.9 27.0 41.6 17 105 A E H > S+ 0 0 88 -3,-0.3 4,-2.0 2,-0.2 -2,-0.2 0.925 117.7 45.9 -66.7 -47.8 -3.7 25.1 44.7 18 106 A A H X S+ 0 0 3 -4,-2.4 4,-1.5 1,-0.2 -2,-0.2 0.952 116.7 43.7 -68.2 -45.2 -2.1 28.1 46.5 19 107 A V H X S+ 0 0 0 -4,-2.4 4,-1.1 1,-0.2 -1,-0.2 0.891 111.2 55.0 -67.3 -40.3 -5.0 30.5 45.8 20 108 A S H < S+ 0 0 65 -4,-1.8 4,-0.5 -5,-0.4 3,-0.3 0.874 108.7 48.6 -59.6 -42.4 -7.6 27.8 46.8 21 109 A M H < S+ 0 0 86 -4,-2.0 4,-0.5 1,-0.2 -1,-0.2 0.809 112.4 48.7 -66.8 -31.7 -6.0 27.3 50.2 22 110 A L H X S+ 0 0 5 -4,-1.5 4,-2.1 -3,-0.2 -1,-0.2 0.686 90.1 83.8 -77.2 -22.6 -5.8 31.1 50.9 23 111 A L H X S+ 0 0 11 -4,-1.1 4,-1.2 -3,-0.3 3,-0.2 0.903 94.2 37.6 -60.4 -51.3 -9.4 31.9 50.1 24 112 A E H 4 S+ 0 0 128 -4,-0.5 -1,-0.2 1,-0.2 -2,-0.1 0.832 115.2 55.5 -72.1 -30.8 -11.2 31.0 53.3 25 113 A Q H 4 S+ 0 0 79 -4,-0.5 -1,-0.2 1,-0.2 -2,-0.2 0.826 114.7 41.6 -63.4 -31.9 -8.3 32.3 55.4 26 114 A A H < S+ 0 0 0 -4,-2.1 -2,-0.2 -3,-0.2 2,-0.2 0.623 85.9 113.4 -90.2 -16.9 -8.7 35.7 53.5 27 115 A R < - 0 0 68 -4,-1.2 3,-0.0 -5,-0.2 -3,-0.0 -0.413 61.7-138.5 -66.1 123.9 -12.5 36.0 53.5 28 116 A L - 0 0 7 -2,-0.2 5,-0.1 2,-0.1 -1,-0.1 -0.723 29.6-110.2 -76.5 125.1 -13.8 38.9 55.5 29 117 A P >> - 0 0 71 0, 0.0 4,-2.7 0, 0.0 3,-0.8 -0.282 41.0 -95.4 -52.7 141.0 -16.9 37.7 57.5 30 118 A Q H 3> S+ 0 0 58 1,-0.2 4,-1.5 2,-0.2 -2,-0.1 0.710 121.5 39.8 -23.8 -60.8 -20.1 39.4 56.1 31 119 A P H 3> S+ 0 0 92 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.865 116.8 49.2 -71.3 -38.7 -20.4 42.3 58.5 32 120 A V H <> S+ 0 0 40 -3,-0.8 4,-2.2 2,-0.2 -2,-0.2 0.916 108.4 55.8 -62.2 -43.0 -16.6 43.0 58.6 33 121 A A H X S+ 0 0 30 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.867 108.7 47.7 -56.2 -38.6 -16.6 42.9 54.8 34 122 A E H X S+ 0 0 58 -4,-1.5 4,-2.1 -5,-0.2 -1,-0.2 0.876 111.0 47.4 -76.9 -39.4 -19.3 45.7 54.7 35 123 A Q H X S+ 0 0 92 -4,-1.9 4,-2.0 2,-0.2 5,-0.2 0.850 113.2 52.0 -65.9 -31.4 -17.6 48.0 57.2 36 124 A A H X S+ 0 0 0 -4,-2.2 4,-2.8 2,-0.2 5,-0.2 0.950 108.9 49.2 -68.9 -47.7 -14.4 47.5 55.2 37 125 A H H X S+ 0 0 77 -4,-2.2 4,-2.8 1,-0.2 -2,-0.2 0.923 112.6 48.0 -53.5 -47.7 -16.1 48.4 51.9 38 126 A K H X S+ 0 0 99 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.894 114.4 44.2 -64.9 -44.1 -17.6 51.6 53.5 39 127 A L H X S+ 0 0 15 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.909 114.1 50.3 -66.6 -45.5 -14.4 52.8 55.0 40 128 A A H X S+ 0 0 0 -4,-2.8 4,-2.5 2,-0.2 5,-0.3 0.919 109.6 51.9 -57.7 -45.1 -12.4 52.0 51.8 41 129 A Y H X S+ 0 0 88 -4,-2.8 4,-2.7 -5,-0.2 -2,-0.2 0.956 111.7 46.9 -56.4 -49.5 -15.0 53.9 49.8 42 130 A Q H X S+ 0 0 103 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.903 112.8 47.4 -60.2 -47.5 -14.6 57.0 52.1 43 131 A L H X S+ 0 0 5 -4,-2.6 4,-1.6 1,-0.2 -1,-0.2 0.930 116.2 44.1 -60.5 -48.0 -10.8 57.0 52.1 44 132 A A H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 5,-0.2 0.855 111.4 54.5 -68.2 -36.7 -10.7 56.6 48.3 45 133 A D H X S+ 0 0 60 -4,-2.7 4,-2.1 -5,-0.3 -2,-0.2 0.952 110.4 45.9 -59.0 -50.5 -13.4 59.2 47.7 46 134 A K H < S+ 0 0 117 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.849 112.2 53.8 -62.6 -33.0 -11.5 61.8 49.8 47 135 A L H >< S+ 0 0 38 -4,-1.6 3,-0.8 -5,-0.2 -1,-0.2 0.943 113.1 38.8 -67.2 -53.1 -8.3 60.9 47.9 48 136 A R H 3< S+ 0 0 32 -4,-2.2 3,-0.3 1,-0.2 5,-0.3 0.901 123.1 41.8 -62.1 -42.5 -9.6 61.4 44.4 49 137 A N T >< S+ 0 0 37 -4,-2.1 3,-1.1 -5,-0.2 -1,-0.2 -0.255 70.1 124.2-113.3 39.3 -11.6 64.4 45.3 50 138 A Q T < S+ 0 0 84 -3,-0.8 -1,-0.2 1,-0.3 -2,-0.1 0.952 91.9 26.2 -64.1 -52.7 -9.3 66.4 47.6 51 139 A K T 3 S- 0 0 162 -3,-0.3 -1,-0.3 0, 0.0 -2,-0.1 -0.370 128.9 -89.4-105.7 47.7 -9.5 69.5 45.4 52 140 A N S <> S+ 0 0 96 -3,-1.1 4,-1.3 1,-0.1 5,-0.2 0.796 72.4 159.8 51.2 37.5 -12.9 68.6 44.0 53 141 A A T 4 S+ 0 0 55 -5,-0.3 4,-0.2 1,-0.2 -4,-0.2 0.798 74.4 34.5 -63.3 -30.6 -11.2 66.7 41.1 54 142 A S T > S+ 0 0 38 2,-0.2 4,-1.3 1,-0.1 3,-0.3 0.780 112.5 58.0 -93.4 -33.4 -14.3 64.6 40.3 55 143 A G T 4 S+ 0 0 47 1,-0.2 -2,-0.2 2,-0.2 -1,-0.1 0.652 105.5 53.6 -66.3 -17.3 -17.0 67.3 41.1 56 144 A R T >< S+ 0 0 187 -4,-1.3 3,-0.5 2,-0.2 -1,-0.2 0.614 100.6 58.2 -90.9 -22.1 -15.2 69.4 38.5 57 145 A A T 34 S+ 0 0 60 -3,-0.3 -2,-0.2 2,-0.2 -1,-0.1 0.814 91.4 72.4 -65.6 -34.8 -15.6 66.5 36.0 58 146 A G T 3< 0 0 76 -4,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.677 360.0 360.0 -52.2 -21.5 -19.3 67.1 36.8 59 147 A M < 0 0 105 -3,-0.5 -2,-0.2 0, 0.0 -1,-0.2 0.698 360.0 360.0-105.1 360.0 -18.8 70.2 34.7 60 ! 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 61 162 A G > 0 0 91 0, 0.0 4,-1.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -46.4 -15.1 73.2 25.2 62 163 A V H > + 0 0 117 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.861 360.0 51.9 -74.8 -40.2 -11.6 74.3 26.1 63 164 A A H > S+ 0 0 75 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.856 107.1 54.8 -65.2 -35.8 -11.5 77.2 23.6 64 165 A L H > S+ 0 0 111 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.885 106.1 52.0 -60.6 -40.6 -14.8 78.4 25.0 65 166 A M H X S+ 0 0 122 -4,-1.1 4,-2.2 1,-0.2 -2,-0.2 0.884 105.1 54.5 -65.3 -38.8 -13.2 78.5 28.5 66 167 A C H X S+ 0 0 73 -4,-1.7 4,-1.7 1,-0.2 -1,-0.2 0.821 111.7 45.8 -62.9 -31.6 -10.2 80.6 27.3 67 168 A L H X S+ 0 0 97 -4,-1.2 4,-2.0 2,-0.2 -2,-0.2 0.856 110.7 51.1 -79.2 -40.3 -12.8 83.1 26.0 68 169 A A H X S+ 0 0 38 -4,-2.3 4,-1.5 2,-0.2 -2,-0.2 0.841 111.0 51.7 -63.3 -31.3 -14.8 83.0 29.2 69 170 A E H X S+ 0 0 105 -4,-2.2 4,-0.9 2,-0.2 -2,-0.2 0.915 109.3 46.8 -71.9 -47.9 -11.5 83.7 31.0 70 171 A A H < S+ 0 0 53 -4,-1.7 3,-0.3 1,-0.2 -2,-0.2 0.851 112.0 53.1 -61.8 -36.6 -10.5 86.7 28.9 71 172 A L H >< S+ 0 0 49 -4,-2.0 3,-1.2 1,-0.2 -1,-0.2 0.863 105.3 53.4 -65.7 -38.9 -14.0 88.0 29.3 72 173 A L H 3< S+ 0 0 120 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.679 99.2 64.0 -71.9 -16.4 -13.7 87.7 33.1 73 174 A R T 3< S+ 0 0 180 -4,-0.9 -1,-0.2 -3,-0.3 -2,-0.2 0.448 75.8 101.8 -85.5 -2.4 -10.5 89.8 33.0 74 175 A I S < S- 0 0 36 -3,-1.2 6,-0.1 1,-0.1 -3,-0.0 -0.790 72.5-146.0 -77.5 117.6 -12.6 92.7 31.8 75 176 A P S S+ 0 0 113 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 0.732 74.4 57.9 -64.2 -32.1 -12.8 94.7 35.0 76 177 A D S > S- 0 0 110 1,-0.1 4,-2.2 -3,-0.0 5,-0.1 -0.896 70.4-144.8-111.1 127.6 -16.3 96.3 34.7 77 178 A K H > S+ 0 0 130 -2,-0.5 4,-2.7 2,-0.2 5,-0.2 0.800 98.1 56.2 -58.0 -32.0 -19.4 94.1 34.2 78 179 A A H > S+ 0 0 74 2,-0.2 4,-3.1 1,-0.2 5,-0.3 0.978 107.8 46.1 -68.7 -55.1 -21.1 96.6 31.9 79 180 A T H > S+ 0 0 85 1,-0.2 4,-1.6 2,-0.2 -2,-0.2 0.919 114.6 50.7 -48.5 -49.9 -18.2 96.7 29.4 80 181 A R H < S+ 0 0 58 -4,-2.2 -2,-0.2 2,-0.2 -1,-0.2 0.893 113.6 42.2 -56.2 -50.1 -18.2 92.9 29.6 81 182 A D H < S+ 0 0 104 -4,-2.7 -1,-0.2 2,-0.2 -2,-0.2 0.886 113.4 53.1 -65.6 -41.9 -21.9 92.4 28.9 82 183 A A H < 0 0 91 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.742 360.0 360.0 -65.1 -27.3 -21.9 95.1 26.2 83 184 A L < 0 0 157 -4,-1.6 -2,-0.2 -5,-0.3 -1,-0.2 0.857 360.0 360.0 -80.6 360.0 -19.1 93.3 24.4 84 ! 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 85 244 A I > 0 0 187 0, 0.0 4,-1.6 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -50.8 21.1 58.7 25.9 86 245 A R H > + 0 0 84 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.820 360.0 46.5 -66.1 -34.6 23.2 58.1 29.1 87 246 A K H > S+ 0 0 99 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.842 110.3 52.7 -75.7 -36.2 22.9 61.7 30.2 88 247 A G H > S+ 0 0 47 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.816 111.1 48.5 -66.1 -31.9 19.1 61.8 29.5 89 248 A V H X S+ 0 0 89 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.948 110.2 48.7 -73.7 -51.7 18.7 58.7 31.7 90 249 A D H X S+ 0 0 68 -4,-1.9 4,-1.7 1,-0.2 -2,-0.2 0.879 116.5 45.2 -54.8 -39.1 20.8 60.0 34.6 91 250 A M H X S+ 0 0 114 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.902 111.7 48.1 -74.4 -48.0 18.7 63.3 34.5 92 251 A A H X S+ 0 0 39 -4,-2.1 4,-2.3 1,-0.2 5,-0.2 0.827 110.2 56.1 -62.5 -32.4 15.3 61.8 34.2 93 252 A M H X S+ 0 0 12 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.950 110.5 41.7 -63.8 -51.5 16.1 59.4 37.0 94 253 A R H X S+ 0 0 106 -4,-1.7 4,-1.2 -5,-0.2 -2,-0.2 0.855 115.2 52.2 -70.5 -28.5 17.0 62.3 39.4 95 254 A L H < S+ 0 0 128 -4,-2.2 4,-0.3 2,-0.2 -2,-0.2 0.926 117.3 35.5 -69.3 -49.4 14.0 64.4 38.3 96 255 A M H < S+ 0 0 78 -4,-2.3 3,-0.4 1,-0.2 -2,-0.2 0.786 117.6 56.9 -74.9 -23.9 11.4 61.7 38.8 97 256 A G H >< S+ 0 0 0 -4,-1.8 3,-1.9 -5,-0.2 4,-0.4 0.703 82.1 79.5 -84.7 -25.4 13.2 60.3 41.8 98 257 A E G >< S+ 0 0 63 -4,-1.2 3,-1.4 1,-0.3 -1,-0.2 0.817 85.7 62.0 -55.4 -37.1 13.4 63.4 44.1 99 258 A Q G 3 S+ 0 0 116 -3,-0.4 -1,-0.3 -4,-0.3 -2,-0.1 0.725 105.7 48.3 -62.8 -21.4 9.8 63.0 45.2 100 259 A F G < S+ 0 0 7 -3,-1.9 2,-0.5 -4,-0.1 -1,-0.3 0.400 95.9 85.2 -98.9 -1.0 10.7 59.6 46.8 101 260 A V < - 0 0 27 -3,-1.4 283,-0.2 -4,-0.4 3,-0.1 -0.899 54.1-167.5-107.5 125.5 13.9 60.8 48.6 102 261 A T S S- 0 0 27 281,-2.2 2,-0.3 -2,-0.5 282,-0.2 0.819 70.6 -29.3 -80.5 -31.5 13.6 62.4 52.1 103 262 A G B -a 384 0A 4 280,-1.0 282,-2.0 282,-0.1 -1,-0.3 -0.957 47.9-116.1-173.0 169.2 17.2 63.7 52.1 104 263 A E S S+ 0 0 108 -2,-0.3 2,-0.3 280,-0.2 282,-0.2 0.750 100.7 31.0 -83.3 -29.5 20.8 63.2 50.8 105 264 A T S > S- 0 0 71 280,-0.2 4,-2.4 1,-0.1 5,-0.2 -0.912 83.0-117.5-127.0 156.7 22.3 62.7 54.2 106 265 A I H > S+ 0 0 6 -2,-0.3 4,-3.2 1,-0.2 5,-0.2 0.906 115.5 54.7 -64.6 -38.9 20.9 61.1 57.4 107 266 A A H > S+ 0 0 66 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.924 108.7 48.5 -58.9 -42.9 21.3 64.4 59.3 108 267 A E H > S+ 0 0 83 2,-0.2 4,-0.7 1,-0.2 -2,-0.2 0.957 114.5 44.8 -63.0 -49.8 19.3 66.2 56.6 109 268 A A H >< S+ 0 0 4 -4,-2.4 3,-0.8 1,-0.2 -2,-0.2 0.919 115.5 48.1 -56.8 -45.9 16.5 63.6 56.7 110 269 A L H >< S+ 0 0 22 -4,-3.2 3,-1.8 1,-0.2 4,-0.4 0.849 103.1 60.6 -66.3 -34.6 16.5 63.5 60.5 111 270 A A H 3< S+ 0 0 80 -4,-2.3 -1,-0.2 1,-0.3 3,-0.2 0.734 107.2 47.4 -69.1 -18.4 16.4 67.3 60.9 112 271 A N T << S+ 0 0 96 -3,-0.8 4,-0.5 -4,-0.7 3,-0.4 0.285 85.6 97.2 -98.9 5.8 13.0 67.2 59.0 113 272 A A <> + 0 0 8 -3,-1.8 4,-1.7 1,-0.2 3,-0.4 0.863 69.0 68.3 -63.7 -38.9 11.6 64.4 61.2 114 273 A R H > S+ 0 0 71 -4,-0.4 4,-2.1 -3,-0.2 5,-0.3 0.788 84.1 66.3 -57.8 -45.6 9.7 66.6 63.5 115 274 A K H 4 S+ 0 0 99 -3,-0.4 4,-0.5 1,-0.2 3,-0.3 0.928 116.2 25.4 -45.2 -60.0 6.9 67.9 61.2 116 275 A L H >4>S+ 0 0 35 -4,-0.5 5,-2.2 -3,-0.4 3,-0.5 0.794 115.4 66.3 -82.2 -23.8 5.1 64.6 60.7 117 276 A E H ><5S+ 0 0 38 -4,-1.7 3,-0.7 1,-0.2 -1,-0.2 0.811 98.5 52.7 -64.7 -29.6 6.4 63.1 64.0 118 277 A E T 3<5S+ 0 0 74 -4,-2.1 -1,-0.2 -3,-0.3 -2,-0.2 0.747 104.3 57.0 -77.1 -23.3 4.3 65.6 66.0 119 278 A K T < 5S- 0 0 108 -3,-0.5 -1,-0.2 -4,-0.5 -2,-0.2 0.539 131.3 -93.5 -83.6 -7.0 1.2 64.6 64.0 120 279 A G T < 5S+ 0 0 34 -3,-0.7 258,-0.6 -4,-0.4 -3,-0.2 0.480 81.6 135.4 106.4 8.6 1.8 60.9 65.1 121 280 A F E < -b 378 0A 7 -5,-2.2 -1,-0.4 256,-0.2 2,-0.2 -0.564 36.7-156.8 -82.4 149.9 3.9 59.6 62.2 122 281 A R E -b 379 0A 8 256,-2.4 258,-2.6 -2,-0.2 2,-0.3 -0.719 9.4-133.2-113.1 177.9 7.0 57.5 62.7 123 282 A Y E -b 380 0A 16 256,-0.3 43,-2.0 -2,-0.2 2,-0.4 -0.967 17.3-170.2-135.6 146.0 10.0 56.9 60.5 124 283 A S E -bc 381 166A 5 256,-2.5 258,-3.4 -2,-0.3 2,-0.4 -0.963 26.6-145.8-126.4 114.6 12.2 54.0 59.1 125 284 A Y E -bc 382 167A 0 41,-2.4 43,-2.5 -2,-0.4 2,-0.6 -0.682 8.8-161.9 -87.8 134.5 15.3 55.4 57.4 126 285 A D E -bc 383 168A 1 256,-2.6 258,-2.9 -2,-0.4 2,-1.1 -0.961 12.1-146.4-115.3 109.2 16.6 53.5 54.4 127 286 A M E -b 384 0A 14 41,-0.6 258,-0.2 -2,-0.6 43,-0.2 -0.710 34.5-123.9 -73.2 101.2 20.2 54.4 53.4 128 287 A L + 0 0 8 256,-2.1 258,-0.1 -2,-1.1 262,-0.1 -0.146 67.1 86.9 -52.7 141.5 19.9 53.9 49.6 129 288 A G + 0 0 5 260,-0.2 2,-0.3 256,-0.1 41,-0.2 -0.152 40.6 167.5 133.6 135.1 22.2 51.5 47.9 130 289 A E + 0 0 34 1,-0.1 3,-0.1 42,-0.1 43,-0.1 -0.924 46.4 52.3-155.6 174.5 22.1 47.7 47.3 131 290 A A - 0 0 56 -2,-0.3 42,-0.2 1,-0.2 -1,-0.1 0.916 68.1-150.4 54.8 50.7 23.6 44.8 45.4 132 291 A A - 0 0 1 40,-1.8 45,-2.8 43,-0.2 46,-0.4 -0.327 13.3-169.1 -52.0 123.4 27.2 45.5 46.5 133 292 A L + 0 0 113 43,-0.2 2,-0.3 -3,-0.1 -1,-0.2 0.784 64.6 38.1 -88.2 -30.8 29.5 44.2 43.7 134 293 A T S > S- 0 0 67 42,-0.1 4,-1.9 1,-0.1 5,-0.2 -0.789 80.0-114.9-120.8 164.1 32.8 44.5 45.6 135 294 A A H > S+ 0 0 70 -2,-0.3 4,-1.4 1,-0.2 5,-0.1 0.857 120.7 51.5 -59.0 -37.6 34.3 43.9 49.0 136 295 A A H > S+ 0 0 72 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.875 105.8 54.8 -67.7 -37.9 34.9 47.7 49.2 137 296 A D H > S+ 0 0 63 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.925 110.1 45.6 -59.2 -44.7 31.3 48.5 48.2 138 297 A A H X S+ 0 0 0 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.772 109.9 54.8 -72.6 -31.8 29.9 46.4 51.1 139 298 A Q H X S+ 0 0 88 -4,-1.4 4,-1.8 2,-0.2 -1,-0.2 0.940 108.9 47.9 -64.5 -49.3 32.4 47.9 53.5 140 299 A A H X S+ 0 0 60 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.864 110.9 50.5 -62.2 -36.8 31.2 51.4 52.5 141 300 A Y H X S+ 0 0 53 -4,-1.8 4,-2.3 32,-0.3 -1,-0.2 0.922 108.1 55.1 -67.2 -38.9 27.5 50.4 52.9 142 301 A M H X S+ 0 0 9 -4,-1.9 4,-2.4 31,-0.2 -2,-0.2 0.877 110.0 44.4 -55.8 -43.8 28.4 49.0 56.3 143 302 A V H X S+ 0 0 68 -4,-1.8 4,-2.5 2,-0.2 -1,-0.2 0.839 110.7 53.7 -77.4 -34.7 29.9 52.3 57.5 144 303 A S H X S+ 0 0 38 -4,-2.1 4,-1.9 -5,-0.2 -2,-0.2 0.895 112.1 46.3 -61.6 -38.0 27.0 54.3 56.0 145 304 A Y H X S+ 0 0 1 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.913 112.1 49.9 -71.4 -44.7 24.6 52.0 58.1 146 305 A Q H X S+ 0 0 63 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.951 112.5 47.7 -53.2 -53.6 26.7 52.4 61.3 147 306 A Q H X S+ 0 0 112 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.883 110.5 51.8 -54.7 -44.1 26.8 56.2 60.9 148 307 A A H X S+ 0 0 0 -4,-1.9 4,-3.0 2,-0.2 5,-0.2 0.882 106.8 52.9 -66.1 -36.2 23.0 56.2 60.3 149 308 A I H X S+ 0 0 0 -4,-2.0 4,-2.8 2,-0.2 -1,-0.2 0.915 108.3 50.9 -68.4 -41.1 22.3 54.2 63.5 150 309 A H H X S+ 0 0 74 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.961 115.8 41.4 -56.6 -52.5 24.3 56.6 65.6 151 310 A A H X S+ 0 0 26 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.909 117.2 46.8 -66.0 -39.2 22.4 59.6 64.2 152 311 A I H X S+ 0 0 0 -4,-3.0 4,-2.5 1,-0.2 -2,-0.2 0.942 113.1 49.4 -69.2 -45.1 19.0 57.9 64.3 153 312 A G H X S+ 0 0 3 -4,-2.8 4,-1.9 -5,-0.2 5,-0.4 0.784 109.8 50.4 -61.9 -33.6 19.5 56.7 67.8 154 313 A K H < S+ 0 0 141 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.882 114.3 44.8 -73.6 -39.5 20.6 60.1 69.1 155 314 A A H < S+ 0 0 43 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.864 109.2 56.3 -70.2 -32.8 17.6 61.7 67.6 156 315 A S H >< S- 0 0 0 -4,-2.5 3,-1.5 -5,-0.2 -2,-0.2 0.937 83.8-174.6 -62.5 -46.7 15.4 58.8 69.0 157 316 A N T 3< - 0 0 137 -4,-1.9 -3,-0.1 1,-0.3 -4,-0.1 0.850 69.8 -43.1 59.0 42.8 16.7 59.7 72.4 158 317 A G T 3 S+ 0 0 63 46,-0.5 -1,-0.3 -5,-0.4 3,-0.1 0.372 99.6 127.5 88.3 -3.7 15.1 56.8 74.3 159 318 A R <> - 0 0 105 -3,-1.5 4,-0.6 1,-0.1 5,-0.3 0.683 63.3-145.2 -57.4 -22.0 11.7 57.0 72.6 160 319 A G H > - 0 0 8 44,-0.3 4,-1.6 45,-0.3 47,-0.2 -0.048 27.4 -49.2 86.1-175.5 12.1 53.3 71.9 161 320 A I H 4 S+ 0 0 14 1,-0.2 46,-0.2 45,-0.2 -1,-0.2 0.687 127.2 40.6 -74.1 -25.4 11.2 50.9 69.1 162 321 A Y H 4 S+ 0 0 62 -3,-0.2 -1,-0.2 44,-0.1 -2,-0.1 0.924 127.2 24.6 -87.0 -55.2 7.5 51.7 68.6 163 322 A E H < S+ 0 0 104 -4,-0.6 -3,-0.2 -41,-0.1 -2,-0.2 0.777 115.1 71.0 -83.3 -31.9 7.3 55.5 68.9 164 323 A G S < S- 0 0 0 -4,-1.6 43,-0.2 -5,-0.3 -8,-0.1 -0.454 91.8 -86.5 -88.2 164.9 10.8 56.3 67.9 165 324 A P - 0 0 0 0, 0.0 42,-0.3 0, 0.0 2,-0.2 -0.230 41.0-168.2 -66.5 154.8 12.5 56.0 64.5 166 325 A G E -c 124 0A 4 -43,-2.0 -41,-2.4 40,-0.2 2,-0.3 -0.673 16.2-116.6-130.7-178.5 14.1 52.8 63.2 167 326 A I E -cd 125 208A 1 40,-2.6 42,-2.8 -43,-0.2 2,-0.4 -0.945 12.4-150.1-125.4 148.3 16.4 51.8 60.4 168 327 A S E -cd 126 209A 0 -43,-2.5 -41,-0.6 -2,-0.3 2,-0.3 -0.979 17.7-168.2-116.6 134.5 15.9 49.5 57.4 169 328 A I E - d 0 210A 0 40,-2.8 42,-2.9 -2,-0.4 2,-0.6 -0.905 17.6-140.7-124.8 149.0 18.8 47.5 55.9 170 329 A K >> - 0 0 8 -2,-0.3 3,-1.6 -41,-0.2 4,-0.5 -0.948 8.0-151.4-107.8 118.2 19.3 45.5 52.7 171 330 A L H >> S+ 0 0 3 -2,-0.6 3,-1.4 40,-0.4 4,-0.5 0.828 95.5 66.6 -56.0 -32.2 21.4 42.4 53.2 172 331 A S H 34 S+ 0 0 4 1,-0.3 -40,-1.8 2,-0.2 6,-0.4 0.734 95.1 58.2 -62.6 -24.2 22.5 42.7 49.5 173 332 A A H <4 S+ 0 0 0 -3,-1.6 -32,-0.3 -42,-0.2 -1,-0.3 0.711 104.1 52.2 -72.4 -23.3 24.4 45.9 50.6 174 333 A L H << S+ 0 0 0 -3,-1.4 -1,-0.2 -4,-0.5 -2,-0.2 0.501 106.9 47.0 -99.2 -8.6 26.5 44.0 53.2 175 334 A H S >< S- 0 0 2 -4,-0.5 3,-1.3 -3,-0.3 -43,-0.2 -0.994 85.8-112.9-137.3 129.2 27.9 41.1 51.2 176 335 A P T 3 S- 0 0 19 0, 0.0 -43,-0.2 0, 0.0 -42,-0.1 -0.372 99.1 -1.3 -61.2 131.1 29.6 41.3 47.8 177 336 A R T >> S+ 0 0 151 -45,-2.8 3,-1.7 -5,-0.1 4,-0.7 0.867 77.4 170.3 55.2 41.8 27.6 39.5 45.0 178 337 A Y G X4 + 0 0 5 -3,-1.3 3,-1.1 -46,-0.4 -1,-0.1 0.819 64.1 75.3 -46.0 -38.5 24.9 38.5 47.5 179 338 A S G 34 S+ 0 0 54 1,-0.3 -1,-0.3 -7,-0.1 -2,-0.1 0.779 113.8 20.0 -54.3 -32.4 22.8 37.4 44.6 180 339 A R G <4 S+ 0 0 206 -3,-1.7 -1,-0.3 2,-0.1 -2,-0.2 0.302 91.8 137.6-117.7 6.9 24.9 34.2 44.2 181 340 A A << - 0 0 17 -3,-1.1 2,-0.2 -4,-0.7 -4,-0.1 -0.204 49.6-125.4 -61.3 144.4 26.6 34.0 47.6 182 341 A Q > - 0 0 154 1,-0.1 4,-1.8 38,-0.0 3,-0.4 -0.556 22.0-109.1 -91.1 154.1 26.9 30.5 49.2 183 342 A Y H > S+ 0 0 128 1,-0.2 4,-2.0 -2,-0.2 5,-0.2 0.850 114.4 52.5 -47.4 -45.7 25.7 29.7 52.7 184 343 A D H > S+ 0 0 118 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.881 110.8 44.5 -67.1 -40.6 29.2 29.3 54.2 185 344 A R H >>S+ 0 0 121 -3,-0.4 4,-2.2 2,-0.2 5,-0.6 0.819 110.9 55.4 -73.2 -28.8 30.6 32.7 53.0 186 345 A V H X>S+ 0 0 0 -4,-1.8 5,-2.3 3,-0.2 4,-1.3 0.942 111.0 43.9 -70.5 -44.9 27.4 34.6 54.1 187 346 A M H <5S+ 0 0 25 -4,-2.0 -2,-0.2 3,-0.2 -1,-0.2 0.865 116.3 46.8 -65.4 -39.9 27.6 33.3 57.6 188 347 A E H <5S+ 0 0 142 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.905 133.4 13.3 -67.1 -40.1 31.4 33.9 57.9 189 348 A E H X5S+ 0 0 73 -4,-2.2 4,-0.7 -5,-0.1 -3,-0.2 0.851 129.1 40.8-111.1 -51.1 31.1 37.5 56.4 190 349 A L H >X S+ 0 0 65 0, 0.0 4,-1.6 0, 0.0 -1,-0.3 0.818 111.5 49.0 -58.5 -30.5 29.0 39.3 61.8 193 352 A R H X S+ 0 0 20 -4,-1.8 4,-1.2 2,-0.2 3,-0.5 0.937 108.7 50.1 -61.5 -46.5 24.3 48.9 67.9 201 360 A A H 3<>S+ 0 0 0 -4,-2.3 5,-2.2 1,-0.3 4,-0.4 0.863 108.3 54.4 -61.5 -34.7 20.5 49.5 67.2 202 361 A R H 3<5S+ 0 0 93 -4,-2.1 3,-0.3 1,-0.2 -1,-0.3 0.808 100.9 58.4 -70.4 -30.9 19.8 47.8 70.5 203 362 A Q H <<5S+ 0 0 149 -4,-1.4 -1,-0.2 -3,-0.5 -2,-0.2 0.818 115.3 36.6 -64.7 -33.4 22.1 50.2 72.4 204 363 A Y T <5S- 0 0 58 -4,-1.2 -46,-0.5 -3,-0.2 -44,-0.3 0.423 110.5-126.5 -93.2 -2.9 20.0 53.1 71.1 205 364 A D T 5 + 0 0 62 -4,-0.4 2,-0.3 -3,-0.3 -45,-0.3 0.961 60.1 141.5 50.3 56.0 16.8 51.0 71.4 206 365 A I < - 0 0 0 -5,-2.2 -1,-0.2 -47,-0.1 -40,-0.2 -0.942 56.2-102.1-117.9 150.3 15.7 51.6 67.8 207 366 A G - 0 0 8 -2,-0.3 -40,-2.6 -42,-0.3 2,-0.4 -0.413 29.4-163.1 -65.6 142.1 14.0 49.2 65.5 208 367 A I E -de 167 240A 3 31,-2.0 33,-2.6 -42,-0.2 2,-0.4 -0.956 8.6-166.6-131.6 115.1 16.2 47.5 62.8 209 368 A N E -de 168 241A 9 -42,-2.8 -40,-2.8 -2,-0.4 2,-0.8 -0.837 17.0-140.9-106.2 132.1 14.3 45.9 59.9 210 369 A I E -de 169 242A 6 31,-2.3 33,-2.2 -2,-0.4 -40,-0.2 -0.851 26.5-138.5 -89.4 109.7 15.8 43.5 57.4 211 370 A D - 0 0 10 -42,-2.9 -40,-0.4 -2,-0.8 2,-0.4 -0.347 14.1-121.7 -64.6 147.9 14.2 44.4 54.0 212 371 A A + 0 0 22 1,-0.1 65,-0.2 -42,-0.1 3,-0.1 -0.807 37.7 168.1 -93.4 133.7 13.1 41.6 51.7 213 372 A E - 0 0 13 -2,-0.4 65,-0.2 1,-0.4 64,-0.1 0.081 47.6 -2.3-116.6-129.8 14.7 41.5 48.2 214 373 A E > - 0 0 40 1,-0.1 3,-1.8 -2,-0.1 -1,-0.4 -0.302 66.2-119.2 -72.3 150.5 14.7 38.8 45.5 215 374 A S G > S+ 0 0 7 1,-0.3 3,-1.4 2,-0.2 4,-0.4 0.770 108.2 63.7 -64.6 -28.0 12.9 35.5 46.2 216 375 A D G 3 S+ 0 0 39 1,-0.3 -1,-0.3 2,-0.1 4,-0.2 0.544 101.2 55.8 -75.2 -5.4 16.0 33.3 45.8 217 376 A R G <> S+ 0 0 38 -3,-1.8 4,-2.0 2,-0.1 -1,-0.3 0.462 80.0 91.5 -98.1 -5.1 17.4 35.1 48.8 218 377 A L H <> S+ 0 0 19 -3,-1.4 4,-1.9 -4,-0.3 5,-0.2 0.942 84.8 50.7 -52.1 -54.1 14.5 34.3 51.1 219 378 A E H > S+ 0 0 53 -4,-0.4 4,-1.5 1,-0.2 -1,-0.2 0.872 111.1 46.1 -57.8 -43.5 16.0 31.1 52.5 220 379 A I H > S+ 0 0 13 -4,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.859 109.0 56.2 -70.4 -32.1 19.4 32.6 53.4 221 380 A S H X S+ 0 0 13 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.889 106.4 51.4 -65.8 -32.2 17.7 35.6 55.1 222 381 A L H X S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 -1,-0.2 0.870 108.1 51.1 -71.5 -34.8 15.8 33.1 57.3 223 382 A D H X S+ 0 0 42 -4,-1.5 4,-1.7 2,-0.2 -1,-0.2 0.869 111.9 47.7 -65.0 -38.8 19.1 31.4 58.3 224 383 A L H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.915 112.7 48.4 -68.5 -44.6 20.6 34.7 59.2 225 384 A L H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.894 108.0 55.0 -59.9 -47.2 17.4 35.7 61.2 226 385 A E H X S+ 0 0 47 -4,-2.5 4,-0.7 2,-0.2 -2,-0.2 0.952 112.5 42.1 -50.5 -55.1 17.4 32.4 63.1 227 386 A K H >< S+ 0 0 101 -4,-1.7 3,-1.5 1,-0.2 -2,-0.2 0.945 113.2 53.6 -60.0 -47.5 21.0 32.9 64.3 228 387 A L H >< S+ 0 0 0 -4,-2.4 3,-1.8 1,-0.3 -1,-0.2 0.899 101.7 57.9 -58.7 -43.7 20.5 36.5 65.1 229 388 A C H 3< S+ 0 0 3 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.676 103.5 54.9 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103.8 59.6 -62.7 -27.3 3.6 31.5 47.6 250 409 A R T >> S+ 0 0 2 45,-0.5 4,-2.0 -239,-0.3 3,-0.9 0.644 76.8 97.4 -75.7 -13.5 5.8 30.9 50.6 251 410 A C H <> S+ 0 0 4 -3,-1.3 4,-2.1 -6,-0.3 -1,-0.2 0.829 81.0 47.1 -52.6 -53.8 4.5 33.8 52.7 252 411 A P H 3> S+ 0 0 14 0, 0.0 4,-1.5 0, 0.0 -1,-0.3 0.871 115.3 48.6 -55.0 -35.0 1.9 32.0 54.9 253 412 A L H <> S+ 0 0 30 -3,-0.9 4,-2.1 -4,-0.3 -2,-0.2 0.813 106.0 55.8 -78.7 -31.0 4.5 29.3 55.6 254 413 A V H X S+ 0 0 2 -4,-2.0 4,-2.7 2,-0.2 -1,-0.2 0.907 105.6 54.1 -63.4 -38.9 7.1 31.8 56.5 255 414 A I H X S+ 0 0 0 -4,-2.1 4,-2.7 2,-0.2 5,-0.2 0.919 105.1 51.6 -61.5 -42.4 4.7 33.2 59.0 256 415 A D H X S+ 0 0 67 -4,-1.5 4,-2.0 1,-0.2 -1,-0.2 0.953 112.4 48.7 -59.4 -42.1 4.3 29.7 60.7 257 416 A Y H X S+ 0 0 1 -4,-2.1 4,-2.2 -254,-0.2 -2,-0.2 0.920 111.6 47.4 -60.5 -47.4 8.1 29.7 60.8 258 417 A L H X S+ 0 0 0 -4,-2.7 4,-2.7 2,-0.2 -1,-0.2 0.859 108.1 54.9 -65.6 -39.1 8.3 33.2 62.4 259 418 A I H X S+ 0 0 37 -4,-2.7 4,-1.6 2,-0.2 -1,-0.2 0.929 111.3 45.8 -60.2 -46.1 5.7 32.4 65.0 260 419 A D H X S+ 0 0 66 -4,-2.0 4,-2.6 -5,-0.2 -2,-0.2 0.860 112.2 51.8 -64.7 -35.2 7.7 29.4 66.1 261 420 A L H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.883 107.5 50.9 -69.0 -39.6 10.9 31.5 66.0 262 421 A A H <>S+ 0 0 1 -4,-2.7 5,-2.2 2,-0.2 4,-0.4 0.886 113.8 46.9 -65.2 -36.9 9.4 34.2 68.2 263 422 A T H ><5S+ 0 0 80 -4,-1.6 3,-0.9 -5,-0.2 -2,-0.2 0.968 116.1 41.8 -65.7 -53.9 8.3 31.5 70.7 264 423 A R H 3<5S+ 0 0 98 -4,-2.6 -2,-0.2 1,-0.2 -3,-0.2 0.853 120.3 42.8 -66.1 -37.4 11.6 29.6 70.8 265 424 A S T 3<5S- 0 0 13 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.405 108.5-126.9 -91.5 1.1 13.8 32.8 70.9 266 425 A R T < 5 + 0 0 218 -3,-0.9 -30,-0.5 -4,-0.4 2,-0.3 0.948 65.3 107.3 54.7 61.7 11.4 34.4 73.5 267 426 A R S + 0 0 27 -65,-0.2 4,-2.4 1,-0.1 5,-0.2 0.029 59.7 126.4-117.5 25.2 10.3 43.0 42.5 279 438 A W H > S+ 0 0 74 -3,-0.3 4,-2.2 1,-0.2 5,-0.2 0.889 73.1 49.8 -57.2 -47.1 7.4 41.4 40.7 280 439 A D H > S+ 0 0 58 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.942 115.3 44.7 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57.1 38.1 12.6 27.2 33.1 291 450 A L < - 0 0 66 -5,-0.7 159,-0.4 2,-0.2 -1,-0.1 -0.255 64.2 -81.4 -93.7-178.4 11.4 25.6 36.4 292 451 A E S S- 0 0 76 157,-0.1 2,-0.3 156,-0.1 158,-0.1 0.683 96.6 -40.5 -60.8 -16.5 8.1 24.0 37.3 293 452 A G S S- 0 0 4 155,-0.1 -2,-0.2 -7,-0.1 -280,-0.1 -0.979 73.0 -53.4 176.4-173.4 6.5 27.4 38.1 294 453 A Y - 0 0 3 -2,-0.3 -45,-0.1 -282,-0.1 -11,-0.1 -0.712 23.8-146.5 -94.3 140.9 6.6 30.9 39.6 295 454 A P S S+ 0 0 7 0, 0.0 -46,-1.9 0, 0.0 -45,-0.5 0.578 89.3 49.4 -75.8 -10.3 7.6 31.7 43.2 296 455 A V B S-J 248 0B 0 -48,-0.2 -48,-0.2 -47,-0.1 -2,-0.1 -0.838 96.4 -95.4-122.0 161.7 5.1 34.6 43.0 297 456 A Y - 0 0 2 -50,-1.9 -1,-0.1 -2,-0.3 3,-0.1 -0.306 22.4-148.6 -67.7 158.8 1.4 34.9 42.0 298 457 A T S S+ 0 0 2 1,-0.1 2,-0.4 -4,-0.1 -1,-0.1 0.535 79.3 63.7-111.7 -13.2 0.7 36.1 38.4 299 458 A R S >> S- 0 0 33 1,-0.1 3,-1.4 144,-0.1 4,-1.1 -0.966 76.8-139.1-111.0 134.1 -2.6 37.9 39.0 300 459 A K H 3> S+ 0 0 67 -2,-0.4 4,-1.8 1,-0.3 3,-0.4 0.862 101.0 62.1 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36.4-109.9 -21.0 4.7 37.0 69.2 321 480 A I E < -g 269 0A 0 -4,-1.5 -1,-0.3 -53,-0.3 -51,-0.2 -0.998 49.4-157.1-146.8 132.5 4.5 39.6 66.5 322 481 A Y E -g 270 0A 0 -53,-3.1 -51,-2.5 -2,-0.3 2,-0.2 -0.943 33.6-146.8-101.6 101.3 4.1 43.4 66.0 323 482 A P E -g 271 0A 2 0, 0.0 27,-1.6 0, 0.0 2,-0.5 -0.505 12.9-163.9 -78.2 139.8 2.6 43.6 62.5 324 483 A Q E -gh 272 350A 8 -53,-2.6 -51,-2.2 -2,-0.2 2,-1.1 -0.969 10.9-153.9-126.6 102.2 3.5 46.5 60.3 325 484 A F E -gh 273 351A 0 25,-2.7 27,-1.9 -2,-0.5 2,-0.6 -0.746 8.6-165.7 -94.2 96.2 1.1 46.7 57.5 326 485 A A E + h 0 352A 20 -53,-1.8 2,-0.3 -2,-1.1 -51,-0.2 -0.741 32.2 124.5 -84.4 113.3 2.8 48.5 54.6 327 486 A T - 0 0 14 25,-1.9 25,-0.1 -2,-0.6 -2,-0.0 -0.944 48.2-161.3-165.7 153.0 0.3 49.6 51.9 328 487 A H + 0 0 20 -2,-0.3 2,-0.5 25,-0.1 25,-0.1 0.152 66.7 110.6-113.5 10.2 -1.0 52.6 49.8 329 488 A N > - 0 0 12 1,-0.1 4,-2.4 2,-0.0 5,-0.2 -0.801 60.1-151.7 -98.3 124.4 -4.2 50.7 49.0 330 489 A A H > S+ 0 0 0 -2,-0.5 4,-2.1 1,-0.2 -1,-0.1 0.808 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