==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 10-SEP-12 4H1D . COMPND 2 MOLECULE: RHOMBOID PROTEASE GLPG; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR Y.XUE,Y.HA . 173 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9253.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 134 77.5 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 . 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 . 4 2.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 107 61.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 3.5 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 1 0 0 0 1 0 0 0 0 0 0 2 0 1 0 0 1 0 2 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 92 A R 0 0 298 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-171.4 9.6 54.8 56.5 2 93 A A - 0 0 30 1,-0.1 71,-0.1 2,-0.1 70,-0.0 -0.552 360.0-118.8 -89.9 138.4 9.5 52.0 54.0 3 94 A G > - 0 0 19 -2,-0.3 4,-2.2 69,-0.2 5,-0.2 -0.009 33.8 -97.1 -64.5 169.1 10.5 48.3 54.5 4 95 A P H > S+ 0 0 88 0, 0.0 4,-1.7 0, 0.0 5,-0.1 0.744 119.3 49.3 -59.6 -28.6 13.3 46.5 52.6 5 96 A V H > S+ 0 0 32 2,-0.2 4,-1.7 3,-0.1 5,-0.2 0.841 110.5 46.9 -87.8 -35.9 11.0 44.8 50.1 6 97 A T H > S+ 0 0 0 2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.952 114.5 51.3 -65.2 -49.3 9.1 47.9 49.0 7 98 A W H X S+ 0 0 148 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.913 109.3 47.7 -47.6 -55.1 12.4 49.7 48.7 8 99 A V H X S+ 0 0 87 -4,-1.7 4,-3.2 1,-0.2 5,-0.3 0.889 107.9 53.8 -64.4 -43.7 14.1 47.1 46.5 9 100 A M H X S+ 0 0 27 -4,-1.7 4,-2.7 2,-0.2 -1,-0.2 0.933 110.6 47.9 -55.0 -48.1 11.3 46.7 44.0 10 101 A M H X S+ 0 0 28 -4,-1.9 4,-2.9 2,-0.2 -2,-0.2 0.963 113.4 47.5 -59.9 -52.9 11.3 50.5 43.5 11 102 A I H X S+ 0 0 67 -4,-2.5 4,-3.7 1,-0.2 5,-0.3 0.953 113.2 46.9 -48.4 -60.6 15.1 50.5 43.0 12 103 A A H X S+ 0 0 29 -4,-3.2 4,-2.3 1,-0.2 -1,-0.2 0.854 113.0 50.3 -52.7 -40.3 15.1 47.5 40.6 13 104 A C H X S+ 0 0 0 -4,-2.7 4,-2.7 -5,-0.3 -1,-0.2 0.910 115.5 44.3 -63.8 -40.6 12.2 49.2 38.7 14 105 A V H X S+ 0 0 64 -4,-2.9 4,-3.3 2,-0.2 -2,-0.2 0.949 113.2 47.4 -69.4 -53.1 14.3 52.4 38.6 15 106 A V H X S+ 0 0 83 -4,-3.7 4,-3.8 2,-0.2 -2,-0.2 0.915 117.2 45.5 -53.7 -44.9 17.6 50.8 37.7 16 107 A V H X S+ 0 0 17 -4,-2.3 4,-3.3 -5,-0.3 -2,-0.2 0.912 111.1 51.5 -69.1 -40.9 15.8 48.8 35.0 17 108 A F H X S+ 0 0 24 -4,-2.7 4,-2.0 2,-0.2 -2,-0.2 0.905 113.8 45.4 -61.5 -38.1 13.9 51.9 33.9 18 109 A I H X S+ 0 0 93 -4,-3.3 4,-2.5 2,-0.2 -2,-0.2 0.964 111.7 51.2 -65.1 -53.6 17.3 53.6 33.7 19 110 A A H X>S+ 0 0 28 -4,-3.8 4,-2.0 1,-0.2 5,-0.5 0.885 111.6 49.5 -45.1 -44.4 18.8 50.6 31.9 20 111 A M H X5S+ 0 0 2 -4,-3.3 4,-1.4 1,-0.2 -1,-0.2 0.887 108.4 51.2 -66.4 -38.9 15.9 50.8 29.5 21 112 A Q H <5S+ 0 0 114 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.898 119.0 38.0 -67.9 -36.6 16.4 54.5 28.8 22 113 A I H <5S+ 0 0 129 -4,-2.5 -2,-0.2 2,-0.1 -3,-0.2 0.992 127.6 27.1 -73.5 -70.4 20.0 53.9 28.1 23 114 A L H <5S- 0 0 102 -4,-2.0 -3,-0.2 1,-0.2 -2,-0.1 0.758 114.8 -99.7 -67.3 -31.0 20.2 50.6 26.1 24 115 A G X< - 0 0 18 -4,-1.4 4,-1.6 -5,-0.5 5,-0.2 -0.307 23.8 -96.6 116.0 151.4 16.7 50.6 24.6 25 116 A D H > S+ 0 0 46 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.946 121.7 48.9 -70.7 -48.0 13.5 48.9 25.5 26 117 A Q H > S+ 0 0 141 1,-0.2 4,-3.1 2,-0.2 -1,-0.2 0.895 109.4 55.4 -54.7 -42.5 13.9 46.0 23.1 27 118 A E H > S+ 0 0 97 2,-0.2 4,-0.5 1,-0.2 -1,-0.2 0.897 112.9 38.6 -61.6 -45.6 17.4 45.4 24.4 28 119 A V H >X S+ 0 0 8 -4,-1.6 4,-2.4 2,-0.2 3,-1.1 0.884 114.6 55.0 -72.9 -40.1 16.4 45.1 28.0 29 120 A M H 3X S+ 0 0 24 -4,-2.8 4,-3.0 1,-0.3 -2,-0.2 0.947 98.5 63.5 -55.8 -47.5 13.2 43.2 27.1 30 121 A L H 3< S+ 0 0 92 -4,-3.1 -1,-0.3 1,-0.2 -2,-0.2 0.761 115.6 31.1 -47.0 -30.0 15.5 40.8 25.2 31 122 A W H << S+ 0 0 164 -3,-1.1 -1,-0.2 -4,-0.5 -2,-0.2 0.719 130.0 32.5-101.3 -25.2 17.0 39.9 28.6 32 123 A L H < S+ 0 0 37 -4,-2.4 -3,-0.2 -3,-0.2 -2,-0.2 0.566 89.4 109.4-111.8 -10.8 14.1 40.4 31.1 33 124 A A S < S- 0 0 0 -4,-3.0 3,-0.1 -5,-0.3 16,-0.1 -0.186 81.2 -86.1 -71.6 157.8 10.9 39.5 29.2 34 125 A W S S- 0 0 19 70,-0.6 -1,-0.1 72,-0.2 13,-0.1 -0.359 74.2 -74.6 -48.0 139.0 8.7 36.4 29.6 35 126 A P + 0 0 20 0, 0.0 -1,-0.1 0, 0.0 6,-0.1 -0.162 52.5 177.0 -52.6 131.8 10.2 33.7 27.5 36 127 A F + 0 0 62 1,-0.2 -2,-0.1 -3,-0.1 69,-0.0 0.270 67.9 36.8-121.6 2.4 9.6 34.3 23.7 37 128 A D S > S- 0 0 85 1,-0.0 3,-1.8 0, 0.0 4,-0.2 -0.968 85.5-114.6-150.0 150.4 11.6 31.4 22.3 38 129 A P G > S+ 0 0 82 0, 0.0 3,-1.2 0, 0.0 4,-0.2 0.739 110.7 68.7 -64.9 -19.7 12.0 27.8 23.6 39 130 A T G 3 S+ 0 0 105 1,-0.2 3,-0.3 2,-0.1 4,-0.1 0.737 101.6 49.5 -65.4 -18.0 15.7 28.3 24.3 40 131 A L G X S+ 0 0 28 -3,-1.8 3,-0.5 1,-0.2 -1,-0.2 0.358 78.9 100.5-102.3 3.1 14.7 30.7 27.0 41 132 A K T < S+ 0 0 101 -3,-1.2 -1,-0.2 1,-0.2 -2,-0.1 0.668 82.8 49.2 -66.6 -18.7 12.2 28.5 28.7 42 133 A F T 3 S+ 0 0 176 -3,-0.3 2,-1.3 -4,-0.2 -1,-0.2 0.719 79.5 98.3 -97.1 -23.5 14.7 27.5 31.5 43 134 A E X - 0 0 51 -3,-0.5 3,-1.0 1,-0.2 4,-0.3 -0.531 59.2-171.8 -63.4 93.8 15.8 31.0 32.4 44 135 A F T 3 S+ 0 0 57 -2,-1.3 3,-0.4 1,-0.3 -1,-0.2 0.538 70.7 72.9 -83.9 -8.2 13.4 31.2 35.3 45 136 A W T >> S+ 0 0 115 1,-0.2 4,-2.5 2,-0.1 3,-2.5 0.878 85.7 71.4 -65.9 -34.6 13.9 34.9 36.2 46 137 A R H <> S+ 0 0 2 -3,-1.0 4,-0.7 1,-0.3 -1,-0.2 0.768 83.8 64.5 -55.7 -32.9 11.8 35.7 33.0 47 138 A Y H 34 S+ 0 0 66 -3,-0.4 -1,-0.3 -4,-0.3 48,-0.2 0.539 121.5 22.5 -67.7 -1.6 8.6 34.5 34.5 48 139 A F H X4 S+ 0 0 70 -3,-2.5 3,-1.8 -16,-0.1 -2,-0.2 0.626 104.0 73.9-131.9 -38.1 9.0 37.4 37.0 49 140 A T H >< S+ 0 0 21 -4,-2.5 3,-2.4 1,-0.3 4,-0.3 0.697 77.8 80.3 -68.0 -16.9 11.3 40.1 35.7 50 141 A H G >< S+ 0 0 3 -4,-0.7 58,-2.0 1,-0.3 3,-1.2 0.811 84.4 65.8 -55.0 -30.2 8.6 41.4 33.2 51 142 A A G < S+ 0 0 6 -3,-1.8 -1,-0.3 56,-0.2 -2,-0.2 0.684 93.5 60.4 -62.6 -19.5 7.2 43.2 36.3 52 143 A L G < S+ 0 0 32 -3,-2.4 2,-0.5 -4,-0.2 -1,-0.2 0.508 85.9 90.1 -92.2 -8.3 10.3 45.4 36.5 53 144 A M < - 0 0 0 -3,-1.2 2,-0.3 -4,-0.3 -40,-0.1 -0.771 49.6-178.6 -98.0 129.0 10.0 47.0 33.1 54 145 A H - 0 0 0 -2,-0.5 54,-0.1 -41,-0.2 -34,-0.1 -0.940 15.0-158.2-125.7 154.6 8.2 50.2 32.5 55 146 A F S S+ 0 0 74 -2,-0.3 2,-0.3 52,-0.1 -1,-0.1 0.505 70.1 22.7-114.9 -9.0 7.8 51.9 29.2 56 147 A S S > S- 0 0 57 1,-0.1 4,-1.4 0, 0.0 5,-0.2 -0.878 79.8-106.0-146.7 176.3 7.0 55.5 30.0 57 148 A L H > S+ 0 0 113 -2,-0.3 4,-1.9 1,-0.2 5,-0.1 0.862 121.6 50.3 -77.2 -34.5 7.6 57.9 32.8 58 149 A M H > S+ 0 0 107 2,-0.2 4,-1.2 1,-0.2 5,-0.2 0.696 105.6 57.4 -75.2 -24.2 3.9 57.7 33.7 59 150 A H H > S+ 0 0 33 2,-0.2 4,-2.0 3,-0.1 5,-0.2 0.973 113.8 35.2 -68.7 -56.4 3.9 53.9 33.7 60 151 A I H X S+ 0 0 13 -4,-1.4 4,-3.8 1,-0.2 5,-0.3 0.911 114.8 57.8 -64.0 -43.9 6.6 53.5 36.3 61 152 A L H X S+ 0 0 87 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.883 111.4 39.6 -58.2 -47.3 5.6 56.5 38.3 62 153 A F H X S+ 0 0 76 -4,-1.2 4,-2.7 2,-0.2 5,-0.3 0.898 116.9 48.9 -71.4 -45.3 2.0 55.3 39.0 63 154 A N H X S+ 0 0 0 -4,-2.0 4,-3.4 -5,-0.2 -2,-0.2 0.969 117.0 43.0 -56.9 -48.6 2.9 51.7 39.5 64 155 A L H X S+ 0 0 21 -4,-3.8 4,-3.0 1,-0.2 -2,-0.2 0.820 112.3 53.4 -70.1 -30.2 5.7 52.8 41.9 65 156 A L H X S+ 0 0 91 -4,-2.0 4,-1.8 -5,-0.3 -1,-0.2 0.921 115.9 39.6 -66.6 -44.0 3.4 55.3 43.6 66 157 A W H X>S+ 0 0 32 -4,-2.7 4,-2.5 2,-0.2 5,-0.5 0.879 115.8 50.8 -72.2 -40.5 0.8 52.7 44.1 67 158 A W H X>S+ 0 0 0 -4,-3.4 4,-1.9 -5,-0.3 5,-1.0 0.954 107.8 56.0 -58.8 -48.3 3.4 50.1 45.0 68 159 A W H X5S+ 0 0 154 -4,-3.0 4,-0.7 -5,-0.2 -2,-0.2 0.894 116.9 32.5 -50.5 -49.7 4.8 52.7 47.5 69 160 A Y H X5S+ 0 0 100 -4,-1.8 4,-0.9 2,-0.1 -2,-0.2 0.966 128.2 34.9 -76.8 -53.3 1.6 53.1 49.4 70 161 A L H X5S+ 0 0 1 -4,-2.5 4,-1.9 2,-0.2 3,-0.5 0.937 121.5 44.3 -69.5 -51.2 0.0 49.6 49.1 71 162 A G H XS+ 0 0 0 -4,-1.9 4,-2.1 1,-0.2 5,-0.7 0.894 113.1 50.3 -58.0 -42.2 1.3 45.3 53.8 75 166 A E H X5S+ 0 0 13 -4,-2.2 4,-0.9 3,-0.2 -1,-0.2 0.885 114.5 43.1 -69.3 -36.7 5.0 45.1 54.8 76 167 A K H <5S+ 0 0 87 -4,-1.3 -2,-0.2 -5,-0.2 -3,-0.1 0.998 125.3 30.0 -68.4 -66.3 4.5 47.4 57.9 77 168 A R H <5S+ 0 0 57 -4,-2.2 -3,-0.2 1,-0.2 -2,-0.2 0.769 138.2 20.9 -65.0 -30.5 1.3 45.9 59.3 78 169 A L H <5S- 0 0 52 -4,-2.1 4,-0.3 -5,-0.4 -3,-0.2 0.565 107.8 -96.3-123.7 -15.5 1.8 42.3 58.1 79 170 A G X< - 0 0 29 -4,-0.9 4,-1.3 -5,-0.7 3,-0.3 0.021 27.0 -89.8 111.4 147.8 5.4 41.5 57.3 80 171 A S H > S+ 0 0 46 1,-0.2 4,-1.8 -5,-0.2 -1,-0.1 0.835 118.6 59.1 -56.2 -39.8 8.0 41.4 54.5 81 172 A G H > S+ 0 0 46 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.914 101.1 53.1 -60.6 -45.6 7.2 37.7 53.8 82 173 A K H > S+ 0 0 61 -3,-0.3 4,-2.2 -4,-0.3 -1,-0.2 0.904 107.7 51.5 -56.8 -45.1 3.5 38.3 53.0 83 174 A L H X S+ 0 0 0 -4,-1.3 4,-2.3 1,-0.2 -1,-0.2 0.890 107.5 54.2 -61.5 -40.9 4.4 41.0 50.4 84 175 A I H X S+ 0 0 75 -4,-1.8 4,-3.0 2,-0.2 -2,-0.2 0.925 108.2 47.5 -57.6 -50.5 6.8 38.6 48.7 85 176 A V H X S+ 0 0 67 -4,-2.1 4,-2.5 2,-0.2 5,-0.3 0.961 113.1 48.4 -57.4 -52.1 4.2 35.9 48.2 86 177 A I H X S+ 0 0 0 -4,-2.2 4,-1.9 1,-0.2 5,-0.2 0.899 115.0 46.6 -52.6 -44.3 1.6 38.4 46.9 87 178 A T H X S+ 0 0 16 -4,-2.3 4,-2.0 -5,-0.2 5,-0.2 0.957 112.5 48.1 -64.6 -53.8 4.3 39.8 44.5 88 179 A L H X S+ 0 0 85 -4,-3.0 4,-1.4 1,-0.2 -2,-0.2 0.886 116.1 42.4 -51.0 -48.8 5.6 36.4 43.3 89 180 A I H X S+ 0 0 68 -4,-2.5 4,-3.0 -5,-0.2 5,-0.3 0.912 114.5 47.6 -73.0 -44.8 2.1 34.9 42.6 90 181 A S H X S+ 0 0 0 -4,-1.9 4,-2.1 -5,-0.3 5,-0.4 0.838 111.8 50.5 -69.1 -33.3 0.5 37.9 40.9 91 182 A A H X S+ 0 0 5 -4,-2.0 4,-1.3 -5,-0.2 -1,-0.2 0.868 115.4 43.9 -67.6 -38.0 3.5 38.6 38.6 92 183 A L H X S+ 0 0 70 -4,-1.4 4,-2.5 -5,-0.2 -2,-0.2 0.947 119.3 40.3 -72.8 -52.1 3.5 34.9 37.5 93 184 A L H X S+ 0 0 75 -4,-3.0 4,-2.9 2,-0.2 5,-0.2 0.945 119.7 42.1 -67.3 -51.3 -0.2 34.6 37.1 94 185 A S H X S+ 0 0 11 -4,-2.1 4,-3.5 -5,-0.3 5,-0.2 0.924 116.8 51.1 -62.8 -40.2 -0.9 38.0 35.5 95 186 A G H X S+ 0 0 0 -4,-1.3 4,-3.0 -5,-0.4 -2,-0.2 0.912 110.4 49.3 -60.0 -43.6 2.2 37.5 33.4 96 187 A Y H X S+ 0 0 112 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.966 115.2 41.8 -61.4 -53.8 1.0 34.1 32.3 97 188 A V H X S+ 0 0 29 -4,-2.9 4,-2.1 2,-0.2 5,-0.3 0.925 115.2 51.6 -59.6 -45.9 -2.5 35.3 31.4 98 189 A Q H X>S+ 0 0 23 -4,-3.5 4,-2.7 -5,-0.2 5,-1.0 0.963 111.8 46.3 -51.6 -56.7 -1.0 38.4 29.7 99 190 A Q H <5S+ 0 0 48 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.822 110.1 56.4 -54.6 -36.3 1.4 36.3 27.7 100 191 A K H <5S+ 0 0 123 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.894 116.9 29.9 -71.4 -42.3 -1.4 33.9 26.8 101 192 A F H <5S+ 0 0 159 -4,-2.1 -2,-0.2 -3,-0.3 -1,-0.2 0.882 139.3 13.7 -86.1 -39.1 -3.7 36.5 25.2 102 193 A S T <5S- 0 0 76 -4,-2.7 -3,-0.2 -5,-0.3 -2,-0.1 0.784 106.2-101.6-110.0 -39.9 -1.3 39.1 23.8 103 194 A G < - 0 0 15 -5,-1.0 -1,-0.2 1,-0.1 -2,-0.1 -0.697 39.5 -65.5 134.3 172.0 2.2 37.7 23.8 104 195 A P S S+ 0 0 26 0, 0.0 2,-1.4 0, 0.0 -70,-0.6 0.509 99.4 95.9 -73.8 -6.7 5.6 37.7 25.7 105 196 A W + 0 0 141 -72,-0.1 2,-0.2 -6,-0.1 -76,-0.0 -0.610 62.1 98.7 -92.7 79.3 6.2 41.4 24.9 106 197 A F + 0 0 27 -2,-1.4 2,-0.3 -77,-0.1 -72,-0.2 -0.849 38.6 175.1-144.6-179.6 5.0 43.2 28.1 107 198 A G + 0 0 16 -2,-0.2 -56,-0.2 -56,-0.1 -52,-0.1 -0.917 20.2 104.4 179.0 160.0 6.1 44.7 31.3 108 199 A G - 0 0 10 -58,-2.0 3,-0.5 -2,-0.3 4,-0.2 -0.336 58.3-111.6 129.3 153.8 5.0 46.7 34.4 109 200 A L S > S+ 0 0 0 1,-0.2 4,-2.7 -2,-0.1 3,-0.2 0.296 87.1 100.9 -94.0 7.8 4.2 46.2 38.0 110 201 A S H > S+ 0 0 17 1,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.753 72.9 59.9 -76.6 -23.5 0.6 46.9 37.5 111 202 A G H > S+ 0 0 5 -3,-0.5 4,-1.7 2,-0.2 -1,-0.3 0.947 112.8 41.4 -60.6 -47.8 -0.5 43.3 37.6 112 203 A V H > S+ 0 0 1 -4,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.896 111.6 55.3 -63.7 -46.0 1.1 43.2 41.1 113 204 A V H X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.909 106.6 51.8 -54.9 -43.0 -0.4 46.7 41.9 114 205 A Y H X S+ 0 0 6 -4,-2.6 4,-2.8 1,-0.2 5,-0.2 0.930 107.5 51.6 -59.4 -47.1 -3.9 45.3 41.1 115 206 A A H X S+ 0 0 0 -4,-1.7 4,-2.9 1,-0.2 -1,-0.2 0.877 110.2 49.8 -55.2 -42.1 -3.4 42.3 43.4 116 207 A L H X S+ 0 0 0 -4,-2.2 4,-2.8 2,-0.2 5,-0.4 0.882 109.9 50.4 -65.6 -40.7 -2.4 44.7 46.2 117 208 A M H X S+ 0 0 4 -4,-2.2 4,-1.9 2,-0.2 5,-0.2 0.955 116.0 41.3 -62.6 -52.0 -5.5 46.9 45.6 118 209 A G H X S+ 0 0 5 -4,-2.8 4,-2.1 2,-0.2 5,-0.3 0.905 117.9 48.6 -60.3 -43.2 -7.7 43.9 45.7 119 210 A Y H X S+ 0 0 0 -4,-2.9 4,-2.1 -5,-0.2 -2,-0.2 0.961 113.5 42.5 -64.4 -56.1 -5.9 42.3 48.7 120 211 A V H X S+ 0 0 5 -4,-2.8 4,-1.4 2,-0.2 14,-0.2 0.905 116.2 50.4 -58.5 -43.5 -5.7 45.3 51.0 121 212 A W H >X S+ 0 0 116 -4,-1.9 4,-1.3 -5,-0.4 3,-0.6 0.963 114.4 40.3 -60.1 -58.4 -9.3 46.3 50.2 122 213 A L H 3X S+ 0 0 18 -4,-2.1 4,-2.3 1,-0.2 5,-0.2 0.814 113.6 55.6 -60.0 -33.4 -10.9 42.9 50.9 123 214 A R H 3X S+ 0 0 19 -4,-2.1 4,-1.1 -5,-0.3 7,-0.3 0.777 108.7 47.7 -73.7 -26.0 -8.7 42.3 53.9 124 215 A G H << S+ 0 0 12 -4,-1.4 -1,-0.2 -3,-0.6 -2,-0.2 0.720 114.1 46.3 -85.1 -25.1 -9.8 45.6 55.4 125 216 A E H < S+ 0 0 63 -4,-1.3 -2,-0.2 -5,-0.1 -3,-0.1 0.861 125.5 29.3 -80.8 -41.6 -13.5 44.9 54.8 126 217 A R H < S+ 0 0 111 -4,-2.3 -2,-0.2 1,-0.2 -3,-0.2 0.583 133.7 30.2-100.2 -15.7 -13.4 41.3 56.1 127 218 A D >< + 0 0 33 -4,-1.1 3,-1.4 -5,-0.2 5,-0.5 -0.382 65.2 152.6-138.7 63.0 -10.6 41.5 58.7 128 219 A P G > + 0 0 87 0, 0.0 3,-1.8 0, 0.0 4,-0.2 0.803 67.1 71.3 -63.5 -31.4 -10.8 45.1 60.0 129 220 A Q G 3 S+ 0 0 96 1,-0.3 -5,-0.1 2,-0.1 -2,-0.0 0.773 85.2 68.5 -53.5 -32.0 -9.3 44.0 63.3 130 221 A S G < S- 0 0 43 -3,-1.4 -1,-0.3 -7,-0.3 3,-0.1 0.567 110.1-115.4 -70.7 -11.6 -5.9 43.5 61.6 131 222 A G S < S+ 0 0 51 -3,-1.8 2,-0.4 1,-0.3 -2,-0.1 0.783 76.6 120.3 80.9 27.7 -5.3 47.2 61.0 132 223 A I + 0 0 6 -5,-0.5 -1,-0.3 -4,-0.2 2,-0.3 -0.974 27.5 133.4-124.4 141.3 -5.4 47.0 57.2 133 224 A Y - 0 0 151 -2,-0.4 2,-0.7 -3,-0.1 -12,-0.2 -0.911 51.3-117.0-176.5 150.9 -7.9 48.8 55.0 134 225 A L - 0 0 15 -13,-0.3 5,-0.1 -2,-0.3 -2,-0.0 -0.923 41.4-124.0 -98.2 116.2 -8.1 50.8 51.8 135 226 A Q > - 0 0 119 -2,-0.7 4,-2.0 1,-0.1 3,-0.3 -0.253 25.1-108.9 -57.5 146.0 -9.5 54.3 52.7 136 227 A R H > S+ 0 0 217 1,-0.2 4,-1.4 2,-0.2 3,-0.2 0.869 115.3 46.3 -43.0 -56.9 -12.6 55.4 50.9 137 228 A G H > S+ 0 0 36 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.874 110.8 54.2 -62.4 -36.4 -11.2 58.0 48.6 138 229 A L H > S+ 0 0 44 -3,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.861 100.8 59.7 -66.6 -36.1 -8.3 55.8 47.7 139 230 A I H X S+ 0 0 41 -4,-2.0 4,-2.7 -3,-0.2 -1,-0.2 0.897 106.6 49.2 -53.6 -42.1 -10.8 53.1 46.7 140 231 A I H X S+ 0 0 90 -4,-1.4 4,-1.2 2,-0.2 -2,-0.2 0.976 113.6 42.5 -63.3 -55.3 -12.0 55.7 44.2 141 232 A F H X S+ 0 0 127 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.759 114.8 53.3 -66.3 -23.5 -8.6 56.6 42.7 142 233 A A H X S+ 0 0 4 -4,-2.4 4,-1.6 -5,-0.2 -1,-0.2 0.942 103.8 53.8 -71.6 -50.0 -7.7 52.9 42.8 143 234 A L H X S+ 0 0 95 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.756 109.5 53.2 -52.2 -26.2 -10.9 52.0 40.8 144 235 A I H X S+ 0 0 95 -4,-1.2 4,-3.9 2,-0.2 5,-0.2 0.971 106.1 46.7 -75.4 -56.9 -9.6 54.6 38.3 145 236 A W H X S+ 0 0 44 -4,-1.9 4,-0.8 1,-0.2 -2,-0.2 0.676 115.4 51.5 -62.1 -14.4 -6.1 53.2 37.8 146 237 A I H X S+ 0 0 41 -4,-1.6 4,-1.9 2,-0.2 -1,-0.2 0.897 111.6 43.8 -77.3 -52.6 -7.9 49.9 37.4 147 238 A V H X S+ 0 0 62 -4,-2.1 4,-1.5 1,-0.2 6,-0.5 0.833 108.2 60.4 -58.5 -34.4 -10.2 51.4 34.8 148 239 A A H <>S+ 0 0 20 -4,-3.9 5,-1.5 1,-0.2 4,-0.2 0.941 111.1 41.1 -57.2 -43.9 -7.1 53.0 33.3 149 240 A G H <5S+ 0 0 17 -4,-0.8 3,-0.3 -5,-0.2 7,-0.3 0.799 111.6 54.3 -74.5 -31.9 -5.9 49.5 32.8 150 241 A W H <5S+ 0 0 161 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.709 115.7 33.6 -82.5 -22.6 -9.1 47.8 31.6 151 242 A F T <5S- 0 0 130 -4,-1.5 -1,-0.2 -3,-0.2 -2,-0.1 0.236 109.8-112.6-115.7 9.9 -10.0 50.1 28.7 152 243 A D T 5 0 0 92 -3,-0.3 -3,-0.2 -4,-0.2 -4,-0.1 0.814 360.0 360.0 61.1 35.3 -6.5 50.8 27.7 153 244 A L < 0 0 153 -5,-1.5 -1,-0.1 -6,-0.5 -5,-0.0 -0.056 360.0 360.0 -75.0 360.0 -6.9 54.5 28.8 154 ! 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 0.0 155 251 A N 0 0 73 0, 0.0 2,-0.6 0, 0.0 -54,-0.1 0.000 360.0 360.0 360.0 85.7 -4.6 44.1 28.7 156 252 A G > + 0 0 25 -7,-0.3 3,-1.3 1,-0.1 4,-0.3 -0.205 360.0 84.2 94.3 -43.0 -7.1 41.6 30.1 157 253 A A T 3> + 0 0 0 -2,-0.6 4,-1.4 1,-0.3 -59,-0.2 0.135 66.2 87.2 -83.4 16.3 -4.8 39.8 32.5 158 254 A H H 3> S+ 0 0 33 2,-0.2 4,-3.0 1,-0.2 -1,-0.3 0.674 79.3 62.9 -90.5 -21.5 -5.3 42.4 35.2 159 255 A I H <> S+ 0 0 69 -3,-1.3 4,-3.6 2,-0.2 -1,-0.2 0.906 102.4 51.9 -60.7 -42.1 -8.3 40.4 36.3 160 256 A A H > S+ 0 0 15 -4,-0.3 4,-2.7 2,-0.2 -2,-0.2 0.958 111.8 44.4 -56.7 -53.6 -5.7 37.7 37.0 161 257 A G H X S+ 0 0 0 -4,-1.4 4,-1.8 1,-0.2 -2,-0.2 0.948 117.5 45.8 -54.7 -48.5 -3.7 40.1 39.1 162 258 A L H X S+ 0 0 43 -4,-3.0 4,-2.2 1,-0.2 -2,-0.2 0.897 111.2 52.7 -64.9 -40.7 -6.8 41.4 40.8 163 259 A A H X S+ 0 0 52 -4,-3.6 4,-3.6 1,-0.2 5,-0.2 0.944 106.6 51.4 -59.2 -52.5 -8.1 37.8 41.3 164 260 A V H X S+ 0 0 10 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.885 109.2 53.1 -52.0 -43.0 -5.0 36.7 43.1 165 261 A G H X S+ 0 0 0 -4,-1.8 4,-1.5 -5,-0.2 -1,-0.2 0.940 114.1 40.0 -58.7 -53.7 -5.2 39.7 45.4 166 262 A L H X S+ 0 0 55 -4,-2.2 4,-1.8 2,-0.2 3,-0.3 0.947 112.3 56.8 -58.7 -51.7 -8.8 38.9 46.4 167 263 A A H X S+ 0 0 55 -4,-3.6 4,-1.4 1,-0.2 -2,-0.2 0.866 109.8 45.0 -49.6 -43.4 -8.1 35.2 46.6 168 264 A M H X S+ 0 0 27 -4,-2.2 4,-1.7 -5,-0.2 -1,-0.2 0.834 108.1 55.7 -73.3 -33.6 -5.3 35.7 49.1 169 265 A A H X S+ 0 0 0 -4,-1.5 4,-0.7 -3,-0.3 -1,-0.2 0.798 105.2 56.6 -67.9 -27.9 -7.3 38.2 51.2 170 266 A F H >< S+ 0 0 105 -4,-1.8 3,-0.8 1,-0.2 -2,-0.2 0.958 106.8 46.2 -63.5 -57.4 -10.0 35.5 51.5 171 267 A V H >< S+ 0 0 99 -4,-1.4 3,-1.1 1,-0.2 -2,-0.2 0.838 110.3 52.6 -52.2 -43.3 -7.7 32.9 53.0 172 268 A D H 3< S+ 0 0 33 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.693 94.9 70.0 -76.8 -16.1 -6.1 35.2 55.5 173 269 A S T << 0 0 21 -3,-0.8 -1,-0.3 -4,-0.7 -2,-0.2 0.250 360.0 360.0 -81.3 13.8 -9.5 36.3 56.8 174 270 A L < 0 0 169 -3,-1.1 -3,-0.1 -47,-0.0 -2,-0.0 -0.168 360.0 360.0-133.7 360.0 -9.8 32.8 58.3