==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 06-AUG-08 3E2R . COMPND 2 MOLECULE: PROLINE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR J.J.TANNER . 468 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21685.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 339 72.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 43 9.2 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 . 18 3.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 59 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 201 42.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.7 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 5 0 2 0 0 1 1 2 4 0 2 0 2 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 88 A Q 0 0 145 0, 0.0 2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 157.4 14.6 20.7 58.3 2 89 A S > - 0 0 56 1,-0.1 4,-2.7 4,-0.0 5,-0.2 -0.249 360.0-100.3 -66.2 167.5 12.2 21.5 61.1 3 90 A V H > S+ 0 0 136 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.919 123.7 43.4 -57.3 -46.3 8.5 20.9 60.5 4 91 A S H > S+ 0 0 18 2,-0.2 4,-1.5 1,-0.2 271,-0.2 0.906 114.5 48.5 -71.0 -42.1 7.9 24.6 59.7 5 92 A R H > S+ 0 0 20 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.896 110.9 52.4 -62.8 -39.5 11.0 25.1 57.6 6 93 A A H X S+ 0 0 44 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.890 106.4 52.8 -62.5 -39.8 10.1 21.9 55.6 7 94 A A H X S+ 0 0 39 -4,-1.8 4,-0.8 -5,-0.2 -1,-0.2 0.816 106.9 53.5 -68.5 -30.9 6.5 23.2 55.0 8 95 A I H >X S+ 0 0 0 -4,-1.5 3,-1.1 263,-0.2 4,-0.5 0.964 109.0 47.9 -63.6 -53.7 8.0 26.4 53.6 9 96 A T H >< S+ 0 0 59 -4,-2.0 3,-1.2 1,-0.3 4,-0.3 0.892 108.7 54.6 -54.7 -43.5 10.2 24.6 51.1 10 97 A A H 3< S+ 0 0 79 -4,-2.2 -1,-0.3 1,-0.2 3,-0.2 0.714 108.5 48.9 -66.8 -20.1 7.3 22.4 50.0 11 98 A A H X< S+ 0 0 0 -3,-1.1 3,-1.5 -4,-0.8 -1,-0.2 0.455 76.6 112.3 -98.0 -2.2 5.2 25.4 49.1 12 99 A Y T << S+ 0 0 42 -3,-1.2 255,-0.4 -4,-0.5 256,-0.3 0.843 98.4 3.5 -37.7 -58.6 7.9 27.3 47.1 13 100 A R T 3 S+ 0 0 55 -4,-0.3 -1,-0.3 -3,-0.2 299,-0.1 -0.192 85.7 165.4-127.3 41.5 6.1 27.0 43.7 14 101 A R < - 0 0 41 -3,-1.5 298,-0.1 1,-0.1 5,-0.1 -0.284 51.0 -86.9 -64.2 145.1 2.8 25.3 44.5 15 102 A P > - 0 0 73 0, 0.0 4,-2.5 0, 0.0 5,-0.2 -0.188 34.0-127.6 -51.6 140.2 0.2 25.5 41.7 16 103 A E H > S+ 0 0 8 1,-0.2 4,-2.8 2,-0.2 5,-0.4 0.857 106.8 57.8 -62.9 -38.7 -1.9 28.6 41.9 17 104 A T H > S+ 0 0 37 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.942 112.8 42.6 -55.9 -45.0 -5.2 26.8 41.8 18 105 A E H > S+ 0 0 87 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.938 115.9 46.3 -65.9 -50.0 -4.1 25.0 44.9 19 106 A A H X S+ 0 0 2 -4,-2.5 4,-1.1 1,-0.2 -2,-0.2 0.918 116.0 44.2 -63.8 -45.3 -2.6 27.9 46.8 20 107 A V H X S+ 0 0 2 -4,-2.8 4,-1.3 1,-0.2 3,-0.4 0.905 110.7 55.1 -67.2 -40.6 -5.4 30.3 46.1 21 108 A S H < S+ 0 0 64 -4,-1.9 4,-0.5 -5,-0.4 -1,-0.2 0.874 109.3 47.1 -60.9 -38.0 -8.1 27.7 47.0 22 109 A M H < S+ 0 0 82 -4,-1.8 4,-0.3 1,-0.2 -1,-0.2 0.745 112.4 50.2 -78.3 -20.5 -6.5 27.1 50.4 23 110 A L H X S+ 0 0 6 -4,-1.1 4,-1.7 -3,-0.4 3,-0.3 0.704 90.0 82.5 -84.4 -21.6 -6.2 30.8 51.2 24 111 A L H X S+ 0 0 11 -4,-1.3 4,-1.5 1,-0.3 3,-0.3 0.893 91.7 41.9 -60.2 -51.0 -9.8 31.8 50.3 25 112 A E H 4 S+ 0 0 123 -4,-0.5 -1,-0.3 1,-0.2 -2,-0.1 0.783 114.4 53.4 -70.6 -25.1 -11.6 30.9 53.5 26 113 A Q H 4 S+ 0 0 77 -4,-0.3 -1,-0.2 -3,-0.3 -2,-0.2 0.780 113.5 43.7 -75.6 -27.4 -8.8 32.3 55.7 27 114 A A H < S+ 0 0 0 -4,-1.7 -2,-0.2 -3,-0.3 -1,-0.2 0.697 88.0 109.9 -87.5 -20.3 -9.0 35.6 53.8 28 115 A R < - 0 0 67 -4,-1.5 3,-0.0 -5,-0.2 -3,-0.0 -0.364 62.9-140.3 -65.2 127.1 -12.8 35.8 53.8 29 116 A L - 0 0 7 -2,-0.1 5,-0.1 1,-0.1 -1,-0.1 -0.732 27.5-106.0 -84.8 131.7 -14.2 38.6 56.0 30 117 A P >> - 0 0 72 0, 0.0 4,-2.8 0, 0.0 3,-1.0 -0.292 39.3-105.3 -52.4 140.5 -17.3 37.7 57.9 31 118 A Q H 3> S+ 0 0 80 1,-0.3 4,-2.0 2,-0.2 5,-0.2 0.800 120.2 48.7 -40.0 -49.3 -20.3 39.5 56.3 32 119 A P H 3> S+ 0 0 94 0, 0.0 4,-1.6 0, 0.0 -1,-0.3 0.899 115.5 44.0 -61.2 -41.8 -20.6 42.1 59.1 33 120 A V H <> S+ 0 0 38 -3,-1.0 4,-2.8 2,-0.2 -2,-0.2 0.889 110.9 54.1 -70.0 -40.6 -16.8 42.9 59.0 34 121 A A H X S+ 0 0 29 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.875 107.9 51.8 -60.8 -36.9 -16.8 43.0 55.2 35 122 A E H X S+ 0 0 47 -4,-2.0 4,-2.1 -5,-0.3 -1,-0.2 0.906 111.6 44.6 -67.8 -42.9 -19.6 45.5 55.3 36 123 A Q H X S+ 0 0 103 -4,-1.6 4,-2.3 2,-0.2 5,-0.2 0.885 112.8 52.4 -69.4 -38.8 -17.7 47.8 57.7 37 124 A A H X S+ 0 0 0 -4,-2.8 4,-3.0 2,-0.2 5,-0.2 0.914 109.4 50.2 -60.6 -44.3 -14.5 47.4 55.7 38 125 A H H X S+ 0 0 70 -4,-2.4 4,-2.9 2,-0.2 -2,-0.2 0.936 110.7 47.7 -59.8 -48.8 -16.3 48.4 52.5 39 126 A K H X S+ 0 0 129 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.923 116.2 44.3 -59.7 -46.7 -17.8 51.5 54.1 40 127 A L H X S+ 0 0 28 -4,-2.3 4,-2.7 2,-0.2 5,-0.2 0.932 113.6 49.4 -63.6 -48.1 -14.5 52.6 55.5 41 128 A A H X S+ 0 0 0 -4,-3.0 4,-2.7 1,-0.2 5,-0.2 0.931 111.9 49.8 -56.7 -46.3 -12.5 51.8 52.4 42 129 A Y H X S+ 0 0 85 -4,-2.9 4,-2.7 -5,-0.2 -1,-0.2 0.922 111.5 48.4 -58.3 -46.0 -15.1 53.7 50.3 43 130 A Q H X S+ 0 0 38 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.911 113.1 47.0 -63.0 -44.9 -14.8 56.8 52.6 44 131 A L H X S+ 0 0 5 -4,-2.7 4,-1.9 2,-0.2 -2,-0.2 0.934 115.9 44.7 -60.4 -49.3 -11.0 56.8 52.6 45 132 A A H X S+ 0 0 0 -4,-2.7 4,-2.9 -5,-0.2 5,-0.3 0.878 112.3 52.4 -65.2 -38.7 -10.9 56.4 48.8 46 133 A D H X S+ 0 0 60 -4,-2.7 4,-2.3 -5,-0.2 -2,-0.2 0.943 112.6 43.8 -62.2 -49.4 -13.6 59.1 48.3 47 134 A K H < S+ 0 0 122 -4,-2.3 4,-0.3 -5,-0.2 -1,-0.2 0.835 116.5 48.5 -65.6 -32.8 -11.8 61.6 50.4 48 135 A L H >< S+ 0 0 45 -4,-1.9 3,-0.8 -5,-0.2 4,-0.2 0.958 116.8 38.8 -74.4 -51.3 -8.5 60.8 48.8 49 136 A R H 3< S+ 0 0 25 -4,-2.9 5,-0.4 1,-0.2 3,-0.3 0.862 126.6 36.9 -65.4 -35.9 -9.6 60.9 45.2 50 137 A N T >< S+ 0 0 32 -4,-2.3 3,-2.0 -5,-0.3 -1,-0.2 0.072 72.0 120.8-113.6 25.1 -11.9 63.9 45.7 51 138 A Q T < S+ 0 0 84 -3,-0.8 -1,-0.2 1,-0.3 -2,-0.1 0.875 92.8 31.4 -54.5 -40.3 -10.0 66.1 48.3 52 139 A K T 3 S- 0 0 189 -3,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 -0.047 124.9 -98.5-109.5 28.7 -9.9 68.9 45.7 53 140 A N <> + 0 0 94 -3,-2.0 4,-2.8 3,-0.1 5,-0.3 0.820 66.2 158.1 64.2 35.9 -13.3 68.0 44.1 54 141 A A H > S+ 0 0 38 -5,-0.4 4,-2.0 1,-0.2 -4,-0.1 0.898 72.8 42.7 -58.7 -46.4 -11.7 66.1 41.2 55 142 A S H > S+ 0 0 40 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.907 115.5 49.0 -69.7 -41.5 -14.8 64.0 40.4 56 143 A G H > S+ 0 0 34 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.915 112.9 47.3 -62.0 -44.6 -17.2 66.9 40.8 57 144 A R H X S+ 0 0 171 -4,-2.8 4,-1.3 1,-0.2 -1,-0.2 0.883 111.9 51.4 -63.6 -38.6 -15.1 69.2 38.6 58 145 A A H X S+ 0 0 44 -4,-2.0 4,-1.7 -5,-0.3 -1,-0.2 0.835 110.9 48.8 -66.6 -34.1 -14.9 66.4 36.1 59 146 A G H X S+ 0 0 42 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.906 105.1 55.4 -72.8 -44.5 -18.6 66.0 36.1 60 147 A M H X S+ 0 0 72 -4,-2.4 4,-1.4 1,-0.2 -1,-0.2 0.848 108.2 52.6 -56.6 -34.5 -19.4 69.7 35.7 61 148 A V H X S+ 0 0 102 -4,-1.3 4,-1.6 2,-0.2 3,-0.5 0.963 107.9 47.7 -65.0 -53.9 -17.3 69.5 32.6 62 149 A Q H < S+ 0 0 60 -4,-1.7 4,-0.4 1,-0.2 -2,-0.2 0.847 107.0 60.1 -56.7 -35.6 -19.1 66.6 31.1 63 150 A G H >X S+ 0 0 45 -4,-2.3 4,-2.0 1,-0.2 3,-0.9 0.902 108.1 42.0 -59.7 -44.3 -22.4 68.4 31.8 64 151 A L H 3< S+ 0 0 60 -4,-1.4 -1,-0.2 -3,-0.5 6,-0.2 0.726 104.9 66.6 -74.9 -22.4 -21.4 71.3 29.7 65 152 A L T 3<>S+ 0 0 44 -4,-1.6 5,-0.9 1,-0.2 -1,-0.2 0.594 111.4 35.7 -72.1 -10.1 -20.1 68.9 27.1 66 153 A Q T <45S+ 0 0 75 -3,-0.9 -2,-0.2 -4,-0.4 -1,-0.2 0.736 104.5 65.2-109.3 -39.6 -23.7 67.8 26.7 67 154 A E T <5S+ 0 0 94 -4,-2.0 -2,-0.1 1,-0.2 -3,-0.1 0.215 125.2 19.9 -71.8 18.8 -25.6 71.1 27.1 68 155 A F T 5S- 0 0 74 -5,-0.1 -1,-0.2 2,-0.1 -2,-0.1 0.283 101.6-123.7-160.8 -8.8 -23.9 72.2 23.9 69 156 A S T 5 + 0 0 91 1,-0.2 2,-0.3 -3,-0.1 -3,-0.2 0.959 55.1 160.6 52.9 58.4 -22.8 68.9 22.3 70 157 A L < - 0 0 42 -5,-0.9 -1,-0.2 -6,-0.2 2,-0.1 -0.711 37.7-121.1-110.1 159.5 -19.1 69.9 22.2 71 158 A S > - 0 0 69 -2,-0.3 4,-2.9 1,-0.1 5,-0.2 -0.318 35.7-100.4 -85.5 176.3 -15.9 68.0 21.8 72 159 A S H > S+ 0 0 84 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.958 126.4 45.8 -62.4 -51.8 -13.0 68.0 24.3 73 160 A Q H > S+ 0 0 80 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.799 113.7 53.0 -61.6 -28.6 -11.0 70.5 22.2 74 161 A E H > S+ 0 0 45 2,-0.2 4,-2.3 3,-0.1 -2,-0.2 0.967 108.9 45.9 -69.3 -55.8 -14.2 72.5 21.9 75 162 A G H X S+ 0 0 28 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.919 113.4 50.6 -52.5 -48.9 -15.0 72.7 25.6 76 163 A V H X S+ 0 0 91 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.923 108.3 51.6 -55.8 -48.6 -11.4 73.6 26.3 77 164 A A H X S+ 0 0 61 -4,-1.8 4,-1.8 1,-0.2 -1,-0.2 0.893 109.3 51.3 -57.2 -41.2 -11.4 76.4 23.7 78 165 A L H X S+ 0 0 101 -4,-2.3 4,-3.2 1,-0.2 -1,-0.2 0.910 107.4 52.6 -62.6 -42.7 -14.6 77.7 25.3 79 166 A M H X S+ 0 0 111 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.871 106.8 52.8 -61.8 -38.0 -13.0 77.7 28.7 80 167 A C H X S+ 0 0 72 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.892 111.9 45.9 -64.7 -39.5 -10.0 79.7 27.4 81 168 A L H X S+ 0 0 91 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.950 113.0 49.4 -64.3 -50.4 -12.5 82.3 26.0 82 169 A A H X S+ 0 0 34 -4,-3.2 4,-1.9 1,-0.2 -2,-0.2 0.861 109.9 52.9 -55.7 -38.5 -14.4 82.3 29.3 83 170 A E H < S+ 0 0 97 -4,-2.5 4,-0.4 1,-0.2 -1,-0.2 0.891 109.0 47.9 -66.5 -41.0 -11.1 82.8 31.1 84 171 A A H >< S+ 0 0 57 -4,-1.8 3,-0.7 1,-0.2 -2,-0.2 0.858 111.0 51.6 -68.4 -35.2 -10.2 85.8 29.0 85 172 A L H >< S+ 0 0 51 -4,-2.3 3,-1.5 1,-0.2 -2,-0.2 0.860 103.9 57.3 -69.6 -35.5 -13.6 87.3 29.5 86 173 A L T 3< S+ 0 0 127 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.599 97.7 63.8 -71.4 -10.4 -13.3 86.9 33.2 87 174 A R T < S+ 0 0 179 -3,-0.7 -1,-0.3 -4,-0.4 -2,-0.2 0.458 73.8 103.7 -92.6 -2.9 -10.1 89.0 33.1 88 175 A I S < S- 0 0 30 -3,-1.5 6,-0.1 -4,-0.2 -3,-0.0 -0.740 70.7-146.3 -75.2 119.1 -12.1 92.0 31.9 89 176 A P S S+ 0 0 116 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 0.795 76.3 57.6 -64.1 -34.3 -12.2 94.1 35.1 90 177 A D > - 0 0 106 1,-0.1 4,-2.2 -3,-0.0 3,-0.3 -0.880 69.6-148.0-109.3 125.0 -15.7 95.7 34.6 91 178 A K H > S+ 0 0 134 -2,-0.5 4,-3.3 1,-0.2 5,-0.2 0.855 97.8 54.6 -58.4 -40.0 -18.8 93.5 34.2 92 179 A A H > S+ 0 0 76 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.911 109.1 48.0 -61.6 -43.0 -20.6 96.0 31.9 93 180 A T H > S+ 0 0 81 -3,-0.3 4,-1.6 2,-0.2 -2,-0.2 0.939 114.3 47.4 -61.3 -46.8 -17.6 96.1 29.5 94 181 A R H < S+ 0 0 60 -4,-2.2 3,-0.2 2,-0.2 -2,-0.2 0.928 112.3 48.9 -58.0 -50.8 -17.5 92.3 29.6 95 182 A D H < S+ 0 0 97 -4,-3.3 -1,-0.2 1,-0.2 -2,-0.2 0.920 110.6 50.7 -55.7 -47.6 -21.3 92.0 29.0 96 183 A A H < 0 0 91 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.796 360.0 360.0 -65.5 -30.1 -21.2 94.5 26.1 97 184 A L < 0 0 151 -4,-1.6 -12,-0.0 -3,-0.2 -4,-0.0 -0.524 360.0 360.0 -69.0 360.0 -18.4 92.6 24.4 98 ! 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 99 240 A G >> 0 0 95 0, 0.0 4,-1.1 0, 0.0 3,-0.9 0.000 360.0 360.0 360.0-143.6 24.7 58.9 20.5 100 241 A E H 3> + 0 0 144 1,-0.2 4,-3.5 2,-0.2 5,-0.3 0.836 360.0 69.4 -64.7 -33.7 24.4 56.6 23.5 101 242 A P H 3> S+ 0 0 91 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.832 100.7 50.1 -55.0 -29.5 26.0 59.2 25.8 102 243 A L H <> S+ 0 0 67 -3,-0.9 4,-2.8 2,-0.2 -2,-0.2 0.921 112.4 45.2 -69.7 -46.6 22.9 61.2 25.3 103 244 A I H X S+ 0 0 62 -4,-1.1 4,-2.8 2,-0.2 5,-0.2 0.890 114.2 48.8 -64.2 -42.0 20.6 58.3 26.1 104 245 A R H X S+ 0 0 95 -4,-3.5 4,-2.0 2,-0.2 -1,-0.2 0.903 114.8 45.7 -63.1 -42.5 22.8 57.4 29.1 105 246 A K H X S+ 0 0 62 -4,-1.8 4,-2.2 -5,-0.3 -2,-0.2 0.882 113.4 50.2 -67.9 -39.7 22.7 61.0 30.3 106 247 A G H X S+ 0 0 40 -4,-2.8 4,-2.8 2,-0.2 5,-0.2 0.913 109.8 49.3 -64.8 -45.7 18.9 61.2 29.6 107 248 A V H X S+ 0 0 97 -4,-2.8 4,-1.9 1,-0.2 -2,-0.2 0.919 112.8 47.7 -60.2 -45.4 18.2 58.0 31.6 108 249 A D H X S+ 0 0 64 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.899 114.0 46.7 -63.2 -42.0 20.2 59.2 34.5 109 250 A M H X S+ 0 0 114 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.916 110.9 51.0 -67.4 -44.1 18.6 62.6 34.5 110 251 A A H X S+ 0 0 40 -4,-2.8 4,-2.5 1,-0.2 5,-0.3 0.859 108.0 55.3 -60.6 -36.0 15.1 61.2 34.2 111 252 A M H X S+ 0 0 8 -4,-1.9 4,-1.6 -5,-0.2 -1,-0.2 0.928 110.0 44.3 -61.6 -47.5 15.9 59.0 37.2 112 253 A R H X S+ 0 0 103 -4,-1.8 4,-1.3 2,-0.2 -2,-0.2 0.911 115.0 48.6 -64.1 -45.4 16.9 61.9 39.4 113 254 A L H < S+ 0 0 115 -4,-2.5 4,-0.4 1,-0.2 3,-0.3 0.942 118.7 36.9 -62.5 -52.2 13.8 64.0 38.3 114 255 A M H < S+ 0 0 76 -4,-2.5 3,-0.3 1,-0.2 -1,-0.2 0.752 116.3 56.2 -71.3 -24.3 11.2 61.3 38.8 115 256 A G H >X S+ 0 0 0 -4,-1.6 3,-1.8 -5,-0.3 4,-0.7 0.705 82.7 81.9 -84.4 -21.6 13.0 60.0 41.9 116 257 A E G >< S+ 0 0 68 -4,-1.3 3,-1.3 -3,-0.3 -1,-0.2 0.876 86.7 58.0 -53.7 -41.7 13.1 63.1 44.0 117 258 A Q G 34 S+ 0 0 114 -4,-0.4 -1,-0.3 -3,-0.3 -2,-0.1 0.717 107.4 48.2 -63.4 -20.9 9.5 62.7 45.2 118 259 A F G <4 S+ 0 0 6 -3,-1.8 2,-0.5 -4,-0.2 -1,-0.3 0.536 94.6 86.5 -97.5 -8.4 10.4 59.3 46.7 119 260 A V << - 0 0 27 -3,-1.3 283,-0.1 -4,-0.7 3,-0.1 -0.813 52.8-167.2-102.2 131.3 13.6 60.3 48.5 120 261 A T S S- 0 0 11 281,-1.9 2,-0.3 -2,-0.5 282,-0.2 0.904 71.9 -18.4 -81.9 -43.4 13.4 61.7 52.1 121 262 A G B -a 402 0A 9 280,-1.4 282,-2.1 1,-0.1 -1,-0.3 -0.985 46.1-130.1-159.1 157.0 17.0 62.9 52.2 122 263 A E S S+ 0 0 125 -2,-0.3 2,-0.3 280,-0.2 282,-0.1 0.785 101.8 27.2 -77.4 -27.6 20.4 62.5 50.5 123 264 A T S > S- 0 0 72 280,-0.1 4,-2.7 1,-0.1 5,-0.2 -0.910 86.8-113.6-129.6 158.5 22.0 62.0 53.9 124 265 A I H > S+ 0 0 7 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.869 117.2 56.0 -61.6 -35.2 20.7 60.6 57.2 125 266 A A H > S+ 0 0 68 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.928 110.2 44.4 -61.3 -45.6 21.1 64.1 58.8 126 267 A E H > S+ 0 0 40 2,-0.2 4,-1.3 1,-0.2 -2,-0.2 0.951 113.8 49.9 -63.8 -48.9 19.0 65.7 56.1 127 268 A A H >< S+ 0 0 0 -4,-2.7 3,-0.7 1,-0.2 -2,-0.2 0.925 110.1 50.2 -55.1 -47.9 16.3 62.9 56.3 128 269 A L H >< S+ 0 0 32 -4,-2.8 3,-1.4 1,-0.3 4,-0.5 0.850 103.9 60.1 -62.0 -34.1 16.1 63.2 60.0 129 270 A A H 3< S+ 0 0 70 -4,-1.7 3,-0.4 1,-0.3 4,-0.3 0.845 101.3 54.4 -60.7 -34.4 15.6 67.0 59.7 130 271 A N T << S+ 0 0 99 -4,-1.3 -1,-0.3 -3,-0.7 4,-0.3 0.058 93.4 79.4 -88.7 27.7 12.5 66.4 57.6 131 272 A A S X> S+ 0 0 3 -3,-1.4 4,-2.8 2,-0.1 3,-0.6 0.825 71.5 66.4-105.4 -40.7 10.9 64.2 60.4 132 273 A R H 3> S+ 0 0 50 -4,-0.5 4,-2.9 -3,-0.4 5,-0.3 0.883 90.1 69.9 -53.6 -42.5 9.5 66.4 63.1 133 274 A K H 34 S+ 0 0 69 -4,-0.3 -1,-0.2 1,-0.2 -2,-0.1 0.880 117.6 19.4 -42.4 -55.2 6.8 67.8 60.7 134 275 A L H X>>S+ 0 0 25 -3,-0.6 5,-2.3 -4,-0.3 3,-1.2 0.757 117.5 66.6 -90.7 -27.6 4.9 64.5 60.6 135 276 A E H ><5S+ 0 0 42 -4,-2.8 3,-0.8 1,-0.3 -2,-0.2 0.846 98.5 55.3 -60.7 -32.0 6.4 63.0 63.7 136 277 A E T 3<5S+ 0 0 169 -4,-2.9 -1,-0.3 -5,-0.2 -2,-0.2 0.672 103.6 56.2 -74.4 -15.2 4.6 65.7 65.7 137 278 A K T <45S- 0 0 99 -3,-1.2 -1,-0.2 -5,-0.3 -2,-0.2 0.544 130.8 -92.8 -90.7 -9.2 1.4 64.5 64.0 138 279 A G T <<5S+ 0 0 36 -3,-0.8 258,-0.5 -4,-0.5 -3,-0.2 0.421 82.6 135.9 109.7 2.2 1.8 60.9 65.2 139 280 A F E < -b 396 0A 5 -5,-2.3 -1,-0.4 256,-0.1 2,-0.3 -0.531 38.2-154.3 -78.1 149.6 3.7 59.5 62.2 140 281 A R E -b 397 0A 14 256,-2.8 258,-3.3 -2,-0.2 2,-0.3 -0.775 7.6-137.7-117.5 167.0 6.8 57.4 62.8 141 282 A Y E -b 398 0A 8 256,-0.3 43,-1.8 -2,-0.3 2,-0.4 -0.931 15.5-168.7-129.0 150.8 9.7 56.8 60.5 142 283 A S E -bc 399 184A 0 256,-2.6 258,-3.0 -2,-0.3 2,-0.6 -0.970 23.8-142.7-131.4 119.2 11.9 53.9 59.3 143 284 A Y E -bc 400 185A 0 41,-2.5 43,-2.7 -2,-0.4 2,-0.7 -0.726 14.3-167.9 -89.8 122.4 15.1 55.0 57.4 144 285 A D E -bc 401 186A 8 256,-1.9 258,-2.0 -2,-0.6 2,-0.2 -0.925 17.6-136.6-114.7 107.6 15.9 52.8 54.6 145 286 A M E -b 402 0A 14 41,-0.9 2,-0.3 -2,-0.7 258,-0.2 -0.440 19.7-127.7 -64.2 129.9 19.4 53.4 53.1 146 287 A L + 0 0 15 256,-3.3 258,-0.2 -2,-0.2 262,-0.1 -0.607 69.7 87.3 -76.4 141.3 19.3 53.4 49.3 147 288 A G + 0 0 3 260,-0.4 2,-0.3 -2,-0.3 41,-0.2 0.054 44.8 164.0 128.1 117.4 21.9 51.0 48.0 148 289 A E + 0 0 39 1,-0.2 3,-0.1 42,-0.1 43,-0.1 -0.876 46.6 43.6-151.4 171.4 21.6 47.4 47.3 149 290 A A S S- 0 0 55 -2,-0.3 42,-0.2 1,-0.1 -1,-0.2 0.909 70.9-149.3 48.0 56.0 23.2 44.4 45.5 150 291 A A - 0 0 2 40,-1.9 45,-2.6 43,-0.2 46,-0.5 -0.313 11.2-164.9 -53.8 133.6 26.8 45.3 46.5 151 292 A L + 0 0 112 43,-0.2 2,-0.3 44,-0.1 -1,-0.2 0.741 64.9 30.9 -96.7 -26.9 29.0 44.1 43.6 152 293 A T S > S- 0 0 66 1,-0.1 4,-2.0 42,-0.1 5,-0.2 -0.813 81.2-109.7-129.0 167.4 32.4 44.2 45.4 153 294 A A H > S+ 0 0 68 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.889 120.5 53.3 -61.4 -40.9 33.9 43.9 48.9 154 295 A A H > S+ 0 0 73 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.927 107.0 51.9 -59.6 -46.3 34.6 47.6 48.9 155 296 A D H > S+ 0 0 65 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.922 110.9 46.6 -54.5 -49.4 30.9 48.3 48.0 156 297 A A H X S+ 0 0 0 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.889 110.7 53.0 -66.7 -38.8 29.6 46.2 50.9 157 298 A Q H X S+ 0 0 84 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.919 108.4 50.3 -59.0 -47.2 32.1 47.7 53.3 158 299 A A H X S+ 0 0 58 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.918 110.4 49.3 -59.2 -44.8 30.9 51.2 52.4 159 300 A Y H X S+ 0 0 52 -4,-2.2 4,-2.5 32,-0.3 -1,-0.2 0.911 109.6 52.8 -61.3 -41.4 27.2 50.2 52.9 160 301 A M H X S+ 0 0 8 -4,-2.3 4,-2.5 31,-0.2 -2,-0.2 0.939 109.6 47.7 -57.9 -49.2 28.1 48.8 56.3 161 302 A V H X S+ 0 0 68 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.879 111.0 52.3 -61.2 -38.6 29.8 52.0 57.3 162 303 A S H X S+ 0 0 41 -4,-2.3 4,-2.4 -5,-0.2 -1,-0.2 0.906 109.4 48.5 -64.3 -43.2 26.8 53.9 56.1 163 304 A Y H X S+ 0 0 3 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.911 111.4 50.3 -61.2 -44.8 24.4 51.8 58.1 164 305 A Q H X S+ 0 0 63 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.933 112.2 46.8 -59.5 -48.8 26.5 52.1 61.3 165 306 A Q H X S+ 0 0 106 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.915 112.1 51.3 -57.0 -46.6 26.6 55.9 60.9 166 307 A A H X S+ 0 0 0 -4,-2.4 4,-3.2 1,-0.2 5,-0.3 0.889 106.7 52.9 -60.4 -42.3 22.9 56.0 60.3 167 308 A I H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.895 108.9 50.6 -63.4 -38.6 22.1 53.9 63.4 168 309 A H H X S+ 0 0 69 -4,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.922 115.2 42.8 -61.9 -44.9 24.2 56.4 65.5 169 310 A A H X S+ 0 0 27 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.913 117.6 43.9 -69.6 -46.1 22.3 59.4 64.0 170 311 A I H X S+ 0 0 0 -4,-3.2 4,-2.8 1,-0.2 -2,-0.2 0.911 113.7 52.8 -64.7 -42.4 18.8 57.8 64.2 171 312 A G H X S+ 0 0 4 -4,-2.6 4,-1.8 -5,-0.3 5,-0.4 0.868 110.0 47.1 -61.6 -39.2 19.5 56.5 67.7 172 313 A K H < S+ 0 0 137 -4,-1.8 -1,-0.2 2,-0.2 -2,-0.2 0.880 113.6 48.3 -70.4 -38.6 20.6 59.9 68.9 173 314 A A H < S+ 0 0 43 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.886 108.3 54.6 -66.2 -40.5 17.5 61.5 67.3 174 315 A S H >< S- 0 0 0 -4,-2.8 3,-1.2 -5,-0.1 -2,-0.2 0.906 84.2-170.7 -60.9 -44.1 15.2 58.8 68.9 175 316 A N T 3< S- 0 0 138 -4,-1.8 -3,-0.1 1,-0.3 -4,-0.1 0.856 70.6 -42.6 55.5 43.3 16.7 59.7 72.3 176 317 A G T 3 S+ 0 0 61 46,-0.5 -1,-0.3 -5,-0.4 3,-0.1 0.488 97.4 131.3 87.6 3.9 15.1 56.7 74.2 177 318 A R <> - 0 0 101 -3,-1.2 4,-0.6 1,-0.2 3,-0.2 0.737 62.1-137.4 -61.9 -23.9 11.6 56.8 72.5 178 319 A G H > - 0 0 8 44,-0.3 4,-1.4 45,-0.2 47,-0.3 -0.161 26.4 -57.0 94.5 176.5 11.9 53.1 71.9 179 320 A I H 4 S+ 0 0 14 45,-0.2 46,-0.2 1,-0.2 -1,-0.2 0.706 128.1 39.8 -73.2 -20.7 11.2 50.6 69.1 180 321 A Y H 4 S+ 0 0 63 -3,-0.2 -1,-0.2 44,-0.0 -2,-0.1 0.924 126.0 26.3 -92.7 -56.4 7.5 51.5 68.8 181 322 A E H < S+ 0 0 120 -4,-0.6 -3,-0.2 2,-0.1 -2,-0.2 0.725 114.9 69.9 -81.7 -23.5 7.1 55.3 69.1 182 323 A G S < S- 0 0 1 -4,-1.4 43,-0.2 -5,-0.2 -8,-0.1 -0.444 91.0 -89.6 -97.7 167.9 10.6 56.1 67.9 183 324 A P - 0 0 0 0, 0.0 42,-0.4 0, 0.0 2,-0.2 -0.307 41.4-168.5 -72.7 159.2 12.2 55.9 64.5 184 325 A G E -c 142 0A 5 -43,-1.8 -41,-2.5 40,-0.2 2,-0.3 -0.721 17.3-112.6-133.5-175.1 14.1 52.8 63.3 185 326 A I E -cd 143 226A 0 40,-2.3 42,-2.7 -43,-0.2 2,-0.4 -0.890 16.3-151.5-122.4 155.5 16.3 51.7 60.5 186 327 A S E -cd 144 227A 0 -43,-2.7 -41,-0.9 -2,-0.3 2,-0.3 -0.993 15.4-165.5-129.2 134.2 15.7 49.2 57.6 187 328 A I E - 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