==== 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 HYDROLASE 22-NOV-04 1WTD . COMPND 2 MOLECULE: ECOO109IR; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR H.HASHIMOTO,T.SHIMIZU,T.IMASAKI,M.KATO,N.SHICHIJO,K.KITA,M.S . 531 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25159.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 401 75.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 4.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 20 3.8 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 . 4 0.8 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 0.2 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 . 30 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 57 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 240 45.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 2.6 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 4 1 2 5 1 1 0 0 0 0 0 1 3 1 0 0 2 0 0 1 0 0 0 2 0 0 0 RESIDUES PER ALPHA HELIX . 2 1 1 0 1 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 PARALLEL BRIDGES PER LADDER . 2 2 0 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 ANTIPARALLEL BRIDGES PER LADDER . 0 1 0 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 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 85 0, 0.0 2,-0.3 0, 0.0 84,-0.0 0.000 360.0 360.0 360.0-145.4 -13.9 40.0 20.5 2 2 A N >> - 0 0 95 1,-0.1 4,-2.2 202,-0.0 3,-1.2 -0.749 360.0-111.1-105.9 149.1 -15.6 43.0 22.2 3 3 A K H 3> S+ 0 0 81 -2,-0.3 4,-1.9 1,-0.3 5,-0.1 0.847 115.9 44.5 -44.8 -48.9 -15.0 46.5 20.8 4 4 A Q H 3> S+ 0 0 110 2,-0.2 4,-2.2 1,-0.2 -1,-0.3 0.707 110.8 53.7 -75.0 -21.0 -13.0 47.8 23.8 5 5 A E H <> S+ 0 0 26 -3,-1.2 4,-1.9 2,-0.2 5,-0.3 0.892 111.2 45.4 -78.7 -43.1 -10.8 44.6 24.0 6 6 A V H X S+ 0 0 0 -4,-2.2 4,-2.0 2,-0.2 5,-0.2 0.903 117.3 46.2 -62.9 -41.9 -9.8 44.8 20.4 7 7 A I H X S+ 0 0 2 -4,-1.9 4,-2.8 -5,-0.3 5,-0.2 0.962 113.5 46.4 -66.7 -53.3 -9.1 48.6 20.8 8 8 A L H X S+ 0 0 104 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.898 117.8 42.0 -55.9 -47.8 -7.1 48.4 24.1 9 9 A K H X S+ 0 0 88 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.886 116.0 47.4 -72.5 -41.4 -4.9 45.5 23.0 10 10 A V H X S+ 0 0 0 -4,-2.0 4,-2.7 -5,-0.3 -2,-0.2 0.898 113.9 50.0 -60.9 -42.2 -4.3 46.9 19.4 11 11 A Q H X S+ 0 0 31 -4,-2.8 4,-1.3 -5,-0.2 -2,-0.2 0.902 108.9 51.0 -65.7 -41.5 -3.6 50.3 21.0 12 12 A E H X S+ 0 0 120 -4,-2.1 4,-1.0 -5,-0.2 -1,-0.2 0.866 114.1 44.3 -62.1 -39.1 -1.1 48.8 23.4 13 13 A C H X S+ 0 0 11 -4,-1.9 4,-1.4 1,-0.2 -2,-0.2 0.885 108.7 56.1 -72.0 -41.2 0.7 47.0 20.6 14 14 A A H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.736 101.2 60.0 -63.4 -25.2 0.7 50.0 18.3 15 15 A A H X S+ 0 0 48 -4,-1.3 4,-2.6 2,-0.2 -1,-0.2 0.914 101.9 51.3 -67.8 -46.6 2.5 52.0 21.0 16 16 A W H X S+ 0 0 179 -4,-1.0 4,-2.3 1,-0.2 -2,-0.2 0.871 114.1 46.6 -51.3 -42.5 5.4 49.6 21.0 17 17 A W H X S+ 0 0 7 -4,-1.4 4,-2.5 2,-0.2 -2,-0.2 0.887 109.4 50.3 -71.6 -44.9 5.5 50.1 17.2 18 18 A I H X S+ 0 0 8 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.929 113.2 49.2 -58.2 -44.6 5.3 53.9 17.3 19 19 A L H X S+ 0 0 100 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.940 109.3 50.7 -56.1 -53.7 8.1 53.8 19.8 20 20 A E H < S+ 0 0 111 -4,-2.3 4,-0.5 1,-0.2 -1,-0.2 0.882 112.7 47.1 -55.0 -39.6 10.2 51.5 17.6 21 21 A R H >< S+ 0 0 19 -4,-2.5 3,-0.8 1,-0.2 -1,-0.2 0.849 109.2 53.7 -69.5 -36.8 9.5 54.0 14.7 22 22 A Q H >< S+ 0 0 30 -4,-2.3 3,-1.7 1,-0.2 -2,-0.2 0.828 97.1 66.3 -65.0 -34.7 10.5 57.0 16.8 23 23 A S G >< S+ 0 0 51 -4,-2.0 3,-0.8 1,-0.3 -1,-0.2 0.757 87.2 71.4 -55.9 -28.3 13.7 55.3 17.7 24 24 A K G < S+ 0 0 58 -3,-0.8 -1,-0.3 -4,-0.5 -2,-0.2 0.527 81.6 76.2 -68.1 -6.4 14.8 55.7 14.0 25 25 A L G < + 0 0 7 -3,-1.7 -1,-0.2 -4,-0.1 2,-0.2 0.182 69.4 107.0 -98.3 20.4 15.2 59.5 14.4 26 26 A T S <> S- 0 0 72 -3,-0.8 4,-1.4 1,-0.1 -3,-0.0 -0.515 77.8-111.0 -99.9 165.2 18.6 59.9 16.2 27 27 A K H >> S+ 0 0 44 1,-0.2 3,-0.6 2,-0.2 4,-0.6 0.922 120.1 50.4 -52.2 -49.8 22.0 61.1 15.1 28 28 A L H >4 S+ 0 0 137 1,-0.2 3,-1.0 2,-0.2 4,-0.2 0.874 106.6 54.7 -58.4 -41.1 23.4 57.6 15.6 29 29 A M H >> S+ 0 0 46 1,-0.2 3,-1.9 2,-0.2 4,-0.7 0.817 93.3 71.8 -65.8 -27.5 20.5 56.1 13.5 30 30 A S H << S+ 0 0 6 -4,-1.4 3,-0.4 -3,-0.6 -1,-0.2 0.770 86.3 65.7 -58.9 -28.9 21.4 58.5 10.6 31 31 A E T << S+ 0 0 112 -3,-1.0 -1,-0.3 -4,-0.6 -2,-0.2 0.642 94.9 58.3 -67.7 -15.9 24.6 56.4 10.0 32 32 A T T <4 S+ 0 0 77 -3,-1.9 2,-0.3 -4,-0.2 -1,-0.2 0.821 78.2 109.3 -82.8 -33.1 22.4 53.5 9.0 33 33 A M < - 0 0 6 -4,-0.7 2,-0.1 -3,-0.4 27,-0.1 -0.236 61.8-151.0 -41.3 102.2 20.7 55.6 6.2 34 34 A S - 0 0 53 -2,-0.3 2,-0.3 25,-0.1 29,-0.1 -0.408 12.1-166.9 -75.2 156.5 22.0 54.1 2.9 35 35 A I - 0 0 5 -2,-0.1 396,-0.1 228,-0.0 3,-0.0 -0.951 18.4-139.3-143.0 128.1 22.4 56.2 -0.3 36 36 A N >> - 0 0 17 -2,-0.3 3,-0.9 1,-0.1 4,-0.8 -0.850 14.2-158.9 -88.8 110.1 23.0 54.6 -3.7 37 37 A P T 34 S+ 0 0 0 0, 0.0 223,-0.2 0, 0.0 -1,-0.1 0.636 88.6 55.2 -72.6 -16.5 25.7 56.9 -5.3 38 38 A F T 34 S+ 0 0 0 1,-0.1 4,-0.3 2,-0.1 222,-0.0 0.776 106.7 50.8 -75.8 -31.7 24.9 55.9 -8.8 39 39 A M T <> S+ 0 0 4 -3,-0.9 4,-2.0 1,-0.2 3,-0.5 0.637 85.7 88.2 -85.5 -17.1 21.1 56.7 -8.4 40 40 A T H X S+ 0 0 0 -4,-0.8 4,-2.0 1,-0.2 -1,-0.2 0.784 82.5 53.0 -55.4 -38.7 21.6 60.2 -7.1 41 41 A P H > S+ 0 0 8 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.899 112.8 47.2 -66.3 -37.4 21.7 62.1 -10.4 42 42 A F H > S+ 0 0 0 -3,-0.5 4,-3.2 -4,-0.3 5,-0.3 0.915 110.4 48.7 -65.3 -49.3 18.5 60.5 -11.4 43 43 A I H X S+ 0 0 10 -4,-2.0 4,-1.7 1,-0.2 6,-0.3 0.901 108.3 58.5 -60.2 -40.6 16.6 61.2 -8.2 44 44 A F H <>S+ 0 0 16 -4,-2.0 5,-2.7 -5,-0.2 -1,-0.2 0.891 116.8 30.5 -55.0 -43.1 17.8 64.8 -8.4 45 45 A D H ><5S+ 0 0 32 -4,-1.3 3,-1.7 -3,-0.2 -2,-0.2 0.916 115.0 57.2 -86.2 -48.0 16.1 65.3 -11.8 46 46 A Y H 3<5S+ 0 0 0 -4,-3.2 -3,-0.2 1,-0.3 -2,-0.2 0.824 117.2 35.8 -52.5 -36.0 13.1 63.0 -11.6 47 47 A H T 3<5S- 0 0 35 -4,-1.7 -1,-0.3 -5,-0.3 -2,-0.2 0.178 110.7-121.8-108.8 14.4 11.9 64.8 -8.5 48 48 A S T < 5 - 0 0 16 -3,-1.7 -3,-0.2 1,-0.1 -4,-0.1 0.858 45.2-179.5 53.0 45.9 13.0 68.2 -9.7 49 49 A L < - 0 0 19 -5,-2.7 -1,-0.1 -6,-0.3 3,-0.1 -0.422 23.8-155.7 -79.7 156.3 15.3 68.8 -6.7 50 50 A N - 0 0 100 1,-0.2 2,-0.3 -2,-0.1 -1,-0.1 0.632 65.5 -2.0-107.6 -21.2 17.3 72.0 -6.3 51 51 A D S >> S- 0 0 45 202,-0.1 4,-1.6 201,-0.1 3,-0.5 -0.966 78.4 -87.2-162.2 175.1 20.3 71.1 -4.0 52 52 A F H 3> S+ 0 0 0 200,-1.9 4,-2.6 -2,-0.3 5,-0.2 0.791 121.9 58.5 -63.5 -33.9 21.9 68.3 -2.0 53 53 A D H 3> S+ 0 0 67 199,-0.3 4,-2.2 1,-0.2 -1,-0.3 0.894 106.4 49.4 -60.0 -43.2 19.9 69.1 1.1 54 54 A E H <> S+ 0 0 56 -3,-0.5 4,-1.3 2,-0.2 -2,-0.2 0.822 111.0 50.8 -64.5 -34.6 16.7 68.5 -1.0 55 55 A L H >X S+ 0 0 0 -4,-1.6 4,-1.7 2,-0.2 3,-0.6 0.976 111.1 45.6 -65.6 -55.5 18.2 65.2 -2.2 56 56 A V H 3X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.3 -2,-0.2 0.878 109.9 56.5 -54.9 -42.7 19.0 63.9 1.3 57 57 A E H 3X S+ 0 0 95 -4,-2.2 4,-2.2 1,-0.2 -1,-0.3 0.878 108.7 47.1 -55.7 -39.6 15.6 65.0 2.5 58 58 A A H S+ 0 0 31 -4,-1.7 4,-3.1 2,-0.2 5,-0.7 0.859 109.4 58.5 -64.2 -40.1 5.7 42.9 11.5 75 75 A L H X>S+ 0 0 8 -4,-2.1 5,-2.4 2,-0.2 4,-2.0 0.973 114.0 37.7 -52.1 -56.0 3.3 44.5 14.0 76 76 A I H <>S+ 0 0 2 -4,-2.9 5,-2.2 3,-0.2 -2,-0.2 0.957 121.0 45.5 -61.1 -52.2 0.4 42.8 12.3 77 77 A D H <5S+ 0 0 34 -4,-2.5 -2,-0.2 -5,-0.3 -3,-0.2 0.897 127.9 21.5 -64.4 -43.5 2.2 39.5 11.7 78 78 A E H <5S+ 0 0 76 -4,-3.1 -3,-0.2 -5,-0.2 -1,-0.2 0.728 134.8 20.6 -99.8 -28.3 3.9 39.0 15.1 79 79 A K T XXS+ 0 0 66 -4,-2.0 4,-2.2 -5,-0.7 5,-0.6 0.836 119.3 41.6-110.3 -60.9 1.9 41.1 17.6 80 80 A I H >XS+ 0 0 2 -5,-2.4 4,-2.2 3,-0.2 5,-1.2 0.962 117.4 44.0 -62.6 -56.8 -1.7 42.0 16.6 81 81 A L H >5S+ 0 0 10 0, 0.0 4,-1.5 0, 0.0 -2,-0.2 0.967 126.9 36.0 -56.6 -58.6 -1.2 36.5 17.9 83 83 A R H <5S+ 0 0 129 -4,-2.2 -3,-0.2 2,-0.2 -2,-0.2 0.755 128.2 32.3 -78.7 -26.9 -1.7 38.7 20.9 84 84 A V H <> - 0 0 66 -2,-0.4 4,-2.1 1,-0.1 3,-0.7 -0.340 32.9-106.5 -68.5 153.4 -1.7 35.4 -12.1 127 134 A L H 3> S+ 0 0 85 1,-0.2 4,-1.6 2,-0.2 -1,-0.1 0.793 120.5 53.5 -48.6 -33.6 -3.7 32.4 -13.3 128 135 A T H 3> S+ 0 0 112 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.866 106.9 48.4 -74.3 -40.1 -0.6 30.2 -13.0 129 136 A M H <> S+ 0 0 39 -3,-0.7 4,-2.8 2,-0.2 5,-0.2 0.842 110.1 53.9 -68.1 -35.8 0.2 31.1 -9.4 130 137 A A H X S+ 0 0 0 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.901 111.0 45.7 -62.5 -43.8 -3.5 30.5 -8.5 131 138 A V H X S+ 0 0 34 -4,-1.6 4,-1.2 -5,-0.2 -2,-0.2 0.918 114.7 48.1 -62.6 -46.5 -3.2 27.0 -10.1 132 139 A Q H X S+ 0 0 59 -4,-2.4 4,-1.6 1,-0.2 -2,-0.2 0.884 111.2 49.2 -64.6 -41.7 0.1 26.4 -8.3 133 140 A L H X S+ 0 0 26 -4,-2.8 4,-2.7 1,-0.2 5,-0.2 0.872 106.0 57.3 -67.4 -37.9 -1.2 27.5 -4.9 134 141 A N H X S+ 0 0 1 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.826 105.2 51.8 -59.3 -35.0 -4.2 25.3 -5.3 135 142 A K H X S+ 0 0 56 -4,-1.2 4,-2.4 2,-0.2 -1,-0.2 0.895 110.8 48.2 -66.3 -41.8 -1.8 22.3 -5.7 136 143 A A H X S+ 0 0 40 -4,-1.6 4,-1.1 2,-0.2 -2,-0.2 0.906 115.0 43.9 -64.8 -44.0 -0.0 23.3 -2.5 137 144 A F H X S+ 0 0 1 -4,-2.7 4,-2.5 2,-0.2 5,-0.3 0.884 113.3 50.7 -70.0 -41.5 -3.3 23.7 -0.6 138 145 A H H X S+ 0 0 14 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.923 111.0 49.9 -59.3 -44.9 -4.8 20.4 -2.0 139 146 A E H X S+ 0 0 61 -4,-2.4 4,-0.7 2,-0.2 -1,-0.2 0.712 111.9 48.9 -68.9 -23.7 -1.5 18.6 -1.0 140 147 A I H < S+ 0 0 11 -4,-1.1 3,-0.5 2,-0.2 -2,-0.2 0.944 116.1 38.9 -76.4 -56.6 -1.7 20.1 2.6 141 148 A I H < S+ 0 0 30 -4,-2.5 -2,-0.2 1,-0.2 -3,-0.2 0.827 101.3 75.6 -67.5 -31.7 -5.3 19.2 3.3 142 149 A N H < S+ 0 0 75 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.927 108.9 27.8 -38.1 -56.6 -4.9 15.9 1.5 143 150 A N S < S+ 0 0 94 -4,-0.7 0, 0.0 -3,-0.5 0, 0.0 -0.311 113.9 33.2 -99.2-175.0 -3.0 14.7 4.6 144 151 A Y + 0 0 114 1,-0.2 3,-0.5 -2,-0.1 -1,-0.2 0.847 53.0 170.7 25.4 68.7 -3.2 15.7 8.3 145 152 A P + 0 0 109 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 0.124 63.6 84.6 -80.6 26.8 -6.9 16.5 8.5 146 153 A G S S+ 0 0 58 1,-0.1 3,-0.2 2,-0.0 -33,-0.1 0.859 104.5 16.4 -92.5 -45.3 -6.2 16.8 12.3 147 154 A V S S+ 0 0 75 -3,-0.5 -1,-0.1 1,-0.2 -35,-0.0 -0.333 116.2 71.8-125.9 50.4 -5.0 20.4 12.5 148 155 A A + 0 0 13 -7,-0.1 -34,-0.2 -3,-0.1 -1,-0.2 -0.248 41.1 147.2-158.0 61.4 -6.3 21.7 9.1 149 156 A D S S+ 0 0 73 -36,-1.3 2,-0.3 1,-0.2 -35,-0.2 0.832 79.8 1.7 -62.9 -33.5 -10.1 22.1 9.2 150 157 A N E -c 114 0A 23 -37,-1.5 -35,-2.6 2,-0.0 2,-0.4 -0.978 61.4-147.8-159.5 137.2 -9.8 25.1 6.9 151 158 A I E -cd 115 188A 3 36,-3.2 38,-1.6 -2,-0.3 2,-0.4 -0.885 20.6-171.6-105.7 145.8 -7.2 27.1 5.0 152 159 A V E -cd 116 189A 0 -37,-3.1 -35,-2.7 -2,-0.4 2,-0.8 -1.000 25.0-148.3-137.8 134.0 -7.7 30.8 4.4 153 160 A V E -cd 117 190A 0 36,-2.5 38,-1.3 -2,-0.4 2,-0.7 -0.915 28.3-163.0 -93.3 104.6 -5.9 33.4 2.4 154 161 A G E -cd 118 191A 0 -37,-1.0 -35,-2.8 -2,-0.8 2,-0.9 -0.836 10.7-166.5 -95.3 111.5 -6.4 36.5 4.6 155 162 A V E -cd 119 192A 0 36,-2.2 38,-2.7 -2,-0.7 41,-0.3 -0.831 5.6-163.0 -97.9 98.8 -5.8 39.8 2.8 156 163 A F S S+ 0 0 10 -37,-1.7 2,-0.3 -2,-0.9 -36,-0.1 0.644 71.7 22.5 -72.0 -12.0 -5.7 42.2 5.7 157 164 A Y S S+ 0 0 28 -37,-0.8 376,-0.1 -38,-0.3 2,-0.1 -0.992 100.2 41.2-149.0 155.5 -6.2 45.3 3.5 158 165 A G S S- 0 0 6 -2,-0.3 2,-0.2 371,-0.2 375,-0.1 -0.172 72.9 -99.5 95.0 161.5 -7.7 45.8 0.0 159 166 A N - 0 0 25 373,-0.2 34,-0.1 34,-0.1 4,-0.1 -0.507 17.5-121.6-109.2 177.7 -10.8 44.3 -1.6 160 167 A S + 0 0 47 374,-0.2 7,-0.1 -2,-0.2 373,-0.0 0.193 57.3 142.8-108.0 14.2 -11.4 41.5 -4.1 161 168 A H S S- 0 0 122 1,-0.2 2,-1.6 2,-0.1 -2,-0.1 -0.354 78.0 -4.2 -55.9 131.1 -13.1 43.6 -6.7 162 169 A G S > S+ 0 0 66 1,-0.1 2,-2.1 -2,-0.0 3,-0.9 -0.571 122.2 72.2 85.1 -71.8 -12.0 42.3 -10.2 163 170 A L T 3 + 0 0 16 -2,-1.6 4,-0.2 1,-0.2 -38,-0.2 -0.088 68.0 99.0 -76.9 44.0 -9.5 39.7 -9.2 164 171 A T T 3> + 0 0 77 -2,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.617 66.1 68.3-105.6 -17.9 -12.1 37.2 -7.8 165 172 A D H <> S+ 0 0 102 -3,-0.9 4,-1.1 1,-0.2 -2,-0.1 0.861 102.8 49.7 -63.2 -36.8 -12.3 34.9 -10.9 166 173 A K H > S+ 0 0 10 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.762 107.3 54.0 -73.3 -28.9 -8.7 33.9 -10.0 167 174 A Y H > S+ 0 0 10 -4,-0.2 4,-1.1 2,-0.2 -2,-0.2 0.877 104.0 54.9 -72.1 -40.0 -9.7 33.2 -6.4 168 175 A R H X S+ 0 0 37 -4,-1.8 4,-1.7 2,-0.2 -2,-0.2 0.847 108.7 49.1 -59.8 -36.5 -12.5 30.9 -7.4 169 176 A I H < S+ 0 0 14 -4,-1.1 4,-0.3 2,-0.2 -2,-0.2 0.926 104.8 56.3 -70.7 -46.1 -9.9 28.8 -9.4 170 177 A L H < S+ 0 0 0 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.782 116.7 39.1 -52.5 -28.6 -7.5 28.6 -6.5 171 178 A R H < S- 0 0 65 -4,-1.1 13,-2.2 -5,-0.1 14,-0.6 0.737 134.0 -81.5 -89.7 -31.5 -10.5 27.1 -4.6 172 179 A G < + 0 0 15 -4,-1.7 -3,-0.1 11,-0.2 -2,-0.1 0.170 63.8 148.5 123.9 114.4 -11.8 25.0 -7.6 173 180 A I - 0 0 40 -4,-0.3 2,-0.7 6,-0.1 6,-0.1 -0.060 20.4-177.4-162.7 48.7 -13.9 26.1 -10.5 174 181 A N + 0 0 54 7,-0.1 9,-0.0 4,-0.1 6,-0.0 -0.371 10.7 169.1 -67.7 103.9 -12.9 23.9 -13.5 175 182 A T > - 0 0 103 -2,-0.7 3,-0.6 1,-0.0 -1,-0.1 0.344 64.2 -58.3 -83.5-144.4 -15.0 25.0 -16.5 176 183 A G T 3 S+ 0 0 83 1,-0.2 -2,-0.1 2,-0.1 -1,-0.0 0.693 136.6 67.8 -72.6 -23.3 -14.3 23.9 -20.2 177 184 A A T 3 S- 0 0 64 1,-0.0 -1,-0.2 2,-0.0 -3,-0.1 0.655 92.3-156.8 -66.1 -20.3 -10.8 25.4 -19.6 178 185 A N < - 0 0 69 -3,-0.6 -4,-0.1 1,-0.1 -2,-0.1 0.830 11.4-153.1 45.3 50.6 -10.4 22.5 -17.2 179 186 A H - 0 0 48 1,-0.2 2,-3.2 -6,-0.1 -1,-0.1 -0.169 29.5 -97.7 -54.0 145.9 -7.7 24.2 -15.2 180 187 A N S S+ 0 0 87 2,-0.0 2,-0.3 -6,-0.0 -1,-0.2 -0.296 84.4 123.0 -68.5 66.1 -5.3 21.9 -13.4 181 188 A V - 0 0 20 -2,-3.2 2,-0.3 -47,-0.0 -7,-0.1 -0.956 54.7-138.7-137.6 147.9 -7.2 22.2 -10.1 182 189 A I - 0 0 105 -2,-0.3 2,-1.2 -12,-0.1 -44,-0.0 -0.796 35.5-105.4-102.9 143.2 -8.9 20.1 -7.5 183 190 A D + 0 0 118 -2,-0.3 -11,-0.2 1,-0.2 3,-0.1 -0.575 58.2 144.6 -74.0 96.9 -12.2 21.1 -5.8 184 191 A I >> + 0 0 23 -13,-2.2 3,-2.0 -2,-1.2 4,-1.3 0.128 26.2 130.3-111.4 15.7 -11.2 22.2 -2.3 185 192 A R T 34 + 0 0 26 -14,-0.6 -13,-0.1 1,-0.3 -1,-0.1 0.703 67.9 51.9 -38.7 -37.1 -14.0 24.9 -2.5 186 193 A D T 34 S+ 0 0 155 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.773 117.3 34.0 -80.3 -27.8 -15.4 23.9 0.9 187 194 A K T <4 S+ 0 0 32 -3,-2.0 -36,-3.2 -16,-0.2 2,-0.4 0.456 110.8 62.8-108.9 -1.8 -12.1 24.0 3.0 188 195 A V E < +d 151 0A 1 -4,-1.3 2,-0.3 -38,-0.2 -36,-0.2 -0.992 58.6 167.0-134.3 126.9 -10.2 26.9 1.3 189 196 A H E -d 152 0A 38 -38,-1.6 -36,-2.5 -2,-0.4 2,-0.7 -0.997 30.7-141.4-144.3 143.7 -11.2 30.6 1.1 190 197 A V E +d 153 0A 25 -2,-0.3 2,-0.5 -38,-0.2 -36,-0.2 -0.903 23.3 179.1-102.2 108.0 -9.9 34.1 0.3 191 198 A Y E -d 154 0A 58 -38,-1.3 -36,-2.2 -2,-0.7 2,-0.3 -0.948 9.2-176.0-106.2 121.9 -11.3 36.7 2.7 192 199 A A E > -d 155 0A 12 -2,-0.5 3,-1.6 -38,-0.2 -36,-0.2 -0.851 45.5 -20.8-116.6 154.2 -10.0 40.2 2.0 193 200 A G T 3> S+ 0 0 0 -38,-2.7 4,-1.8 -2,-0.3 3,-0.2 -0.279 133.0 8.8 60.1-124.3 -10.5 43.6 3.8 194 201 A K H 3> S+ 0 0 57 339,-2.1 4,-2.3 1,-0.2 -1,-0.3 0.850 132.2 54.6 -57.3 -38.0 -13.5 43.7 6.0 195 202 A E H <> S+ 0 0 102 -3,-1.6 4,-3.9 338,-0.4 5,-0.2 0.890 103.9 54.0 -67.2 -42.5 -14.1 40.0 5.6 196 203 A F H > S+ 0 0 0 -41,-0.3 4,-3.6 -3,-0.2 5,-0.2 0.955 113.0 42.7 -51.4 -53.0 -10.6 39.0 6.8 197 204 A W H X S+ 0 0 0 -4,-1.8 4,-1.8 2,-0.2 -2,-0.2 0.862 117.1 47.6 -70.9 -35.5 -11.0 41.0 10.0 198 205 A S H <>S+ 0 0 10 -4,-2.3 5,-1.6 -5,-0.2 6,-0.3 0.968 114.9 45.5 -60.2 -57.0 -14.5 39.6 10.4 199 206 A W H ><5S+ 0 0 28 -4,-3.9 3,-1.5 1,-0.2 -2,-0.2 0.939 114.1 49.7 -50.7 -51.5 -13.4 36.1 9.7 200 207 A L H 3<5S+ 0 0 3 -4,-3.6 -1,-0.2 1,-0.3 -2,-0.2 0.844 113.5 45.9 -59.6 -36.9 -10.4 36.6 12.0 201 208 A N T ><5S- 0 0 2 -4,-1.8 3,-1.4 -5,-0.2 -1,-0.3 -0.067 121.0-102.2-101.5 33.6 -12.6 38.0 14.9 202 209 A N T < 5S- 0 0 106 -3,-1.5 -3,-0.2 1,-0.3 -2,-0.1 0.903 84.9 -35.8 51.8 57.4 -15.3 35.3 14.6 203 210 A G T 3 > S+ 0 0 91 1,-0.2 4,-1.7 2,-0.1 3,-0.6 0.310 72.2 109.8 -88.7 12.5 -16.8 46.0 12.7 207 214 A T H <> S+ 0 0 0 -3,-1.4 4,-2.2 1,-0.2 3,-0.3 0.894 71.4 56.5 -56.8 -46.4 -13.4 44.5 13.6 208 215 A Q H 3> S+ 0 0 0 -3,-0.5 4,-2.7 1,-0.2 -1,-0.2 0.841 107.7 49.4 -53.6 -39.9 -11.4 46.5 11.0 209 216 A H H <> S+ 0 0 21 -3,-0.6 4,-2.4 2,-0.2 -1,-0.2 0.859 109.5 51.9 -70.9 -35.6 -12.7 49.8 12.5 210 217 A W H X S+ 0 0 24 -4,-1.7 4,-1.7 -3,-0.3 -2,-0.2 0.855 110.6 48.0 -64.5 -42.0 -11.8 48.6 16.0 211 218 A V H X S+ 0 0 1 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.947 113.3 47.8 -61.2 -51.4 -8.2 47.8 14.9 212 219 A L H X S+ 0 0 0 -4,-2.7 4,-2.9 1,-0.2 -2,-0.2 0.923 109.7 52.7 -57.4 -45.6 -8.0 51.2 13.2 213 220 A E H X S+ 0 0 34 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.861 105.9 53.9 -61.1 -40.7 -9.3 53.0 16.3 214 221 A G H X S+ 0 0 0 -4,-1.7 4,-2.0 2,-0.2 -1,-0.2 0.900 111.0 47.2 -55.8 -41.5 -6.7 51.3 18.5 215 222 A I H X S+ 0 0 3 -4,-1.7 4,-2.2 1,-0.2 -2,-0.2 0.928 110.2 51.4 -67.0 -50.2 -4.1 52.7 16.0 216 223 A E H X S+ 0 0 50 -4,-2.9 4,-1.9 1,-0.2 -1,-0.2 0.836 112.4 46.6 -54.4 -36.9 -5.5 56.2 16.0 217 224 A R H X S+ 0 0 116 -4,-1.9 4,-2.7 2,-0.2 5,-0.2 0.906 109.8 52.1 -77.3 -40.4 -5.6 56.3 19.8 218 225 A A H X S+ 0 0 5 -4,-2.0 4,-1.1 1,-0.2 -2,-0.2 0.890 113.2 46.9 -56.0 -41.4 -2.0 55.0 20.2 219 226 A V H X>S+ 0 0 5 -4,-2.2 4,-1.0 2,-0.2 5,-0.5 0.864 110.8 51.4 -67.3 -44.3 -0.9 57.7 17.7 220 227 A K H ><5S+ 0 0 164 -4,-1.9 3,-0.7 1,-0.2 -2,-0.2 0.940 112.0 45.5 -61.4 -45.2 -2.9 60.4 19.5 221 228 A E H 3<5S+ 0 0 152 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.731 105.6 60.7 -75.8 -20.4 -1.3 59.5 23.0 222 229 A A H 3<5S- 0 0 34 -4,-1.1 -1,-0.2 -5,-0.2 -2,-0.2 0.773 88.7-160.0 -72.9 -27.0 2.2 59.4 21.4 223 230 A D T <<5 + 0 0 124 -4,-1.0 4,-0.3 -3,-0.7 3,-0.1 0.914 34.6 147.8 46.6 63.1 1.7 63.1 20.4 224 231 A I >< + 0 0 2 -5,-0.5 4,-1.1 1,-0.1 5,-0.2 0.402 35.7 96.8-104.8 -1.3 4.5 63.0 17.8 225 232 A K T 4 S+ 0 0 67 1,-0.2 4,-0.4 2,-0.2 -1,-0.1 0.796 93.8 27.8 -70.1 -34.7 3.0 65.6 15.3 226 233 A E T > S+ 0 0 78 -3,-0.1 4,-0.8 2,-0.1 3,-0.3 0.850 119.4 52.9 -91.6 -42.5 5.0 68.7 16.4 227 234 A K H > S+ 0 0 107 -4,-0.3 4,-1.2 1,-0.2 -2,-0.2 0.645 103.9 58.7 -68.1 -19.4 8.1 67.2 17.8 228 235 A N H X S+ 0 0 0 -4,-1.1 4,-3.5 83,-0.2 5,-0.4 0.865 92.0 64.1 -81.0 -37.8 8.8 65.1 14.6 229 236 A K H > S+ 0 0 136 -4,-0.4 4,-1.8 -3,-0.3 -2,-0.2 0.942 111.1 39.4 -49.0 -53.3 9.0 68.0 12.1 230 237 A D H X S+ 0 0 93 -4,-0.8 4,-2.7 1,-0.2 -1,-0.2 0.894 114.7 53.6 -64.7 -42.4 12.1 69.3 13.9 231 238 A L H X S+ 0 0 54 -4,-1.2 4,-2.6 2,-0.2 -2,-0.2 0.902 110.4 45.5 -60.7 -44.4 13.5 65.8 14.5 232 239 A I H X S+ 0 0 33 -4,-3.5 4,-1.5 2,-0.2 -1,-0.2 0.838 112.6 52.1 -70.9 -32.5 13.3 64.8 10.8 233 240 A E H X S+ 0 0 76 -4,-1.8 4,-1.8 -5,-0.4 -2,-0.2 0.925 111.8 46.0 -63.0 -49.5 14.8 68.2 9.9 234 241 A K H X S+ 0 0 98 -4,-2.7 4,-3.0 1,-0.2 -2,-0.2 0.902 107.4 59.1 -56.0 -45.6 17.7 67.5 12.3 235 242 A F H X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.876 104.8 49.4 -53.1 -41.9 17.9 64.0 10.9 236 243 A K H X S+ 0 0 25 -4,-1.5 4,-2.7 2,-0.2 -1,-0.2 0.937 111.1 48.9 -63.3 -50.1 18.6 65.5 7.4 237 244 A E H X S+ 0 0 114 -4,-1.8 4,-3.2 2,-0.2 5,-0.2 0.958 109.8 52.0 -52.9 -55.2 21.3 67.8 8.8 238 245 A H H X S+ 0 0 86 -4,-3.0 4,-1.0 1,-0.2 -2,-0.2 0.923 115.4 41.6 -45.0 -53.5 23.0 64.9 10.7 239 246 A V H < S+ 0 0 5 -4,-2.1 4,-0.4 -5,-0.2 -1,-0.2 0.846 115.6 49.4 -65.0 -39.2 23.1 62.9 7.5 240 247 A A H >X S+ 0 0 0 -4,-2.7 4,-2.9 1,-0.2 3,-1.7 0.879 100.4 63.8 -73.7 -38.9 24.1 65.8 5.3 241 248 A K H 3< S+ 0 0 66 -4,-3.2 4,-0.5 1,-0.3 -1,-0.2 0.859 93.8 64.2 -50.0 -40.8 27.0 66.9 7.6 242 249 A K T 3< S+ 0 0 103 -4,-1.0 -1,-0.3 -5,-0.2 -2,-0.2 0.806 120.7 19.5 -50.8 -34.9 28.6 63.5 6.8 243 250 A Y T <> S+ 0 0 11 -3,-1.7 4,-1.5 -4,-0.4 5,-0.3 0.651 98.0 95.2-112.3 -23.0 29.0 64.5 3.2 244 251 A N H >X S+ 0 0 40 -4,-2.9 4,-2.9 1,-0.2 3,-0.7 0.842 85.3 46.1 -42.7 -62.8 28.7 68.3 3.0 245 252 A E H 34 S+ 0 0 181 -4,-0.5 -1,-0.2 1,-0.2 -2,-0.1 0.918 118.3 41.9 -45.2 -56.5 32.5 69.3 3.1 246 253 A Q H 34 S+ 0 0 108 1,-0.2 -1,-0.2 -3,-0.2 -2,-0.2 0.654 127.7 26.2 -73.5 -19.5 33.6 66.8 0.5 247 254 A V H << S+ 0 0 1 -4,-1.5 8,-2.1 -3,-0.7 2,-0.2 0.669 87.2 112.0-119.8 -22.4 30.7 67.2 -2.0 248 255 A L B < -E 254 0B 67 -4,-2.9 6,-0.2 -5,-0.3 2,-0.2 -0.373 44.8-158.6 -69.2 126.2 29.1 70.7 -1.7 249 256 A N > - 0 0 59 4,-3.4 3,-1.6 -2,-0.2 -2,-0.1 -0.544 38.0-103.3 -81.9 164.9 29.4 73.3 -4.4 250 257 A A T 3 S+ 0 0 118 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.1 0.718 121.9 56.9 -63.0 -26.8 28.9 76.9 -3.5 251 258 A D T 3 S- 0 0 115 2,-0.0 -1,-0.3 1,-0.0 3,-0.1 0.519 124.0-102.0 -84.0 -7.3 25.4 77.0 -5.0 252 259 A G S < S+ 0 0 21 -3,-1.6 -200,-1.9 1,-0.4 -199,-0.3 0.166 83.1 121.8 107.9 -15.0 24.4 74.0 -2.7 253 260 A T - 0 0 30 -202,-0.2 -4,-3.4 -201,-0.1 2,-0.4 -0.164 56.8-117.8 -73.8 174.9 24.6 71.2 -5.2 254 261 A A B -E 248 0B 6 -6,-0.2 2,-1.0 -3,-0.1 -6,-0.2 -0.924 9.1-124.8-123.5 142.8 26.8 68.2 -4.9 255 262 A Q >> - 0 0 102 -8,-2.1 4,-1.6 -2,-0.4 3,-0.9 -0.745 26.5-160.7 -84.2 100.7 29.7 66.7 -6.8 256 263 A W H 3> S+ 0 0 35 -2,-1.0 4,-2.4 1,-0.3 -1,-0.2 0.724 85.9 56.2 -56.3 -32.4 28.2 63.2 -7.5 257 264 A H H 3> S+ 0 0 51 2,-0.2 4,-2.2 1,-0.2 -1,-0.3 0.833 106.2 50.6 -75.3 -31.0 31.6 61.6 -8.2 258 265 A K H <> S+ 0 0 15 -3,-0.9 4,-1.7 2,-0.2 -2,-0.2 0.811 111.5 49.0 -71.8 -33.9 33.0 62.8 -4.8 259 266 A L H X S+ 0 0 0 -4,-1.6 4,-1.8 2,-0.2 5,-0.2 0.901 111.1 50.6 -66.6 -44.5 29.9 61.2 -3.2 260 267 A L H >X S+ 0 0 0 -4,-2.4 4,-2.7 -223,-0.2 3,-0.5 0.972 112.6 44.5 -54.6 -58.5 30.4 58.0 -5.2 261 268 A E H 3X S+ 0 0 64 -4,-2.2 4,-0.6 1,-0.3 -1,-0.2 0.896 113.8 50.5 -56.0 -46.9 34.1 57.7 -4.2 262 269 A M H 3< S+ 0 0 54 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.747 115.2 41.5 -60.9 -36.2 33.4 58.5 -0.6 263 270 A I H << S+ 0 0 18 -4,-1.8 -2,-0.2 -3,-0.5 -1,-0.2 0.865 119.7 43.4 -81.0 -38.4 30.6 55.9 -0.2 264 271 A N H < 0 0 1 -4,-2.7 199,-1.8 -5,-0.2 200,-0.4 0.368 360.0 360.0 -92.0 6.4 32.3 53.2 -2.2 265 272 A E < 0 0 127 -4,-0.6 168,-0.3 -5,-0.2 199,-0.2 0.950 360.0 360.0 -91.1 360.0 35.8 53.7 -0.6 266 !* 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 0.0 267 1 B M 0 0 84 0, 0.0 84,-0.0 0, 0.0 203,-0.0 0.000 360.0 360.0 360.0-156.5 36.6 47.5 -20.7 268 2 B N > - 0 0 112 1,-0.1 4,-2.0 4,-0.0 5,-0.2 -0.294 360.0-115.3 -60.4 151.1 37.5 50.9 -22.2 269 3 B K H > S+ 0 0 93 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.933 117.2 44.8 -48.8 -49.5 36.2 54.0 -20.4 270 4 B Q H > S+ 0 0 107 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.821 109.4 53.4 -71.8 -35.0 34.1 54.9 -23.5 271 5 B E H > S+ 0 0 103 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.831 114.9 42.4 -69.4 -34.2 32.7 51.4 -24.1 272 6 B V H X S+ 0 0 0 -4,-2.0 4,-2.7 2,-0.2 5,-0.3 0.953 114.4 50.1 -71.7 -55.0 31.5 51.2 -20.5 273 7 B I H X S+ 0 0 2 -4,-2.6 4,-2.4 -5,-0.2 -2,-0.2 0.875 115.0 42.5 -51.8 -45.8 30.1 54.8 -20.4 274 8 B L H X S+ 0 0 83 -4,-2.2 4,-1.6 2,-0.2 -1,-0.2 0.851 115.1 47.7 -76.6 -36.5 28.1 54.4 -23.6 275 9 B K H X S+ 0 0 27 -4,-1.1 4,-2.1 -5,-0.2 -2,-0.2 0.909 114.9 46.3 -72.0 -42.6 26.7 51.0 -22.9 276 10 B V H X S+ 0 0 0 -4,-2.7 4,-3.3 2,-0.2 5,-0.3 0.960 112.1 51.2 -55.6 -57.9 25.7 51.9 -19.4 277 11 B Q H X S+ 0 0 16 -4,-2.4 4,-1.6 -5,-0.3 -2,-0.2 0.821 108.6 53.3 -48.4 -39.7 24.2 55.2 -20.7 278 12 B E H X S+ 0 0 121 -4,-1.6 4,-1.4 2,-0.2 -1,-0.2 0.934 113.9 40.5 -59.8 -51.9 22.3 53.1 -23.2 279 13 B C H X S+ 0 0 3 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.890 116.4 48.8 -65.9 -43.5 20.9 50.8 -20.5 280 14 B A H X S+ 0 0 1 -4,-3.3 4,-1.8 2,-0.2 -1,-0.2 0.744 105.0 59.5 -70.4 -27.6 20.1 53.6 -18.0 281 15 B A H X S+ 0 0 36 -4,-1.6 4,-1.0 -5,-0.3 -1,-0.2 0.924 108.5 45.5 -63.8 -46.3 18.4 55.7 -20.7 282 16 B W H >X S+ 0 0 152 -4,-1.4 3,-1.6 1,-0.2 4,-1.6 0.965 110.5 52.3 -56.2 -55.4 15.9 53.0 -21.2 283 17 B W H 3X S+ 0 0 12 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