==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-APR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 12-OCT-10 2XTU . COMPND 2 MOLECULE: RHOMBOID PROTEASE GLPG; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR K.R.VINOTHKUMAR . 181 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9743.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 142 78.5 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 . 5 2.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 113 62.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 2.8 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 1 0 1 0 0 2 0 1 1 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 91 A E 0 0 137 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 176.5 -11.1 -3.5 38.6 2 92 A R - 0 0 236 71,-0.1 6,-0.0 0, 0.0 0, 0.0 -0.960 360.0 -73.8-144.6 161.6 -12.8 -4.2 35.2 3 93 A A - 0 0 28 -2,-0.3 70,-0.1 1,-0.1 67,-0.0 -0.259 53.4-116.6 -57.1 137.2 -14.8 -2.3 32.7 4 94 A G > - 0 0 21 69,-0.2 4,-2.6 1,-0.1 5,-0.2 -0.037 34.6 -89.4 -68.7 177.5 -18.4 -1.6 33.7 5 95 A P H > S+ 0 0 83 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.875 124.0 44.0 -61.8 -43.9 -21.5 -2.9 31.9 6 96 A V H > S+ 0 0 33 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.934 115.1 48.3 -67.5 -46.8 -22.0 -0.1 29.4 7 97 A T H > S+ 0 0 0 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.940 117.8 43.1 -55.5 -46.6 -18.3 0.1 28.5 8 98 A W H X S+ 0 0 147 -4,-2.6 4,-2.7 2,-0.2 5,-0.2 0.936 112.0 49.7 -68.1 -49.0 -18.2 -3.7 28.1 9 99 A V H X S+ 0 0 86 -4,-2.8 4,-2.7 1,-0.2 -1,-0.2 0.877 110.0 52.3 -64.7 -36.5 -21.4 -4.2 26.2 10 100 A M H X S+ 0 0 32 -4,-2.2 4,-2.5 -5,-0.2 -1,-0.2 0.929 110.4 48.1 -62.0 -45.2 -20.5 -1.5 23.7 11 101 A M H X S+ 0 0 39 -4,-1.6 4,-2.2 -5,-0.2 -2,-0.2 0.962 113.5 47.3 -60.6 -49.2 -17.1 -3.2 23.0 12 102 A I H X S+ 0 0 64 -4,-2.7 4,-2.8 1,-0.2 5,-0.2 0.921 111.7 50.8 -55.0 -49.0 -18.8 -6.6 22.6 13 103 A A H X S+ 0 0 29 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.916 109.9 49.1 -60.4 -44.6 -21.4 -5.2 20.3 14 104 A C H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.883 111.8 49.2 -64.0 -38.7 -18.8 -3.5 18.0 15 105 A V H X S+ 0 0 66 -4,-2.2 4,-2.5 -5,-0.2 -2,-0.2 0.951 111.5 49.0 -64.9 -46.5 -16.8 -6.6 17.8 16 106 A V H X S+ 0 0 86 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.928 113.6 46.3 -58.0 -46.3 -19.8 -8.7 16.9 17 107 A V H X S+ 0 0 19 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.902 110.9 52.5 -64.6 -39.6 -20.9 -6.2 14.2 18 108 A F H X S+ 0 0 29 -4,-2.4 4,-1.5 -5,-0.2 -1,-0.2 0.897 109.5 49.6 -62.5 -40.0 -17.3 -6.0 12.9 19 109 A I H X S+ 0 0 85 -4,-2.5 4,-2.4 2,-0.2 3,-0.3 0.937 109.3 51.6 -63.3 -45.4 -17.3 -9.9 12.6 20 110 A A H X>S+ 0 0 29 -4,-2.3 4,-3.2 1,-0.2 5,-0.5 0.886 107.4 54.1 -56.4 -40.2 -20.6 -9.8 10.8 21 111 A M H X5S+ 0 0 1 -4,-2.2 4,-1.2 1,-0.2 -1,-0.2 0.844 109.1 47.1 -64.5 -34.6 -19.1 -7.2 8.4 22 112 A Q H <5S+ 0 0 111 -4,-1.5 -2,-0.2 -3,-0.3 -1,-0.2 0.887 118.8 41.1 -73.7 -38.0 -16.2 -9.5 7.6 23 113 A I H <5S+ 0 0 127 -4,-2.4 -2,-0.2 1,-0.1 -3,-0.2 0.946 130.7 23.4 -74.0 -51.0 -18.5 -12.5 7.0 24 114 A L H <5S- 0 0 101 -4,-3.2 4,-0.3 -5,-0.2 -3,-0.2 0.656 114.5-107.2 -92.3 -18.5 -21.4 -10.9 5.2 25 115 A G X< - 0 0 21 -4,-1.2 4,-1.2 -5,-0.5 -1,-0.2 -0.067 29.0 -88.6 98.0 153.8 -19.5 -7.9 3.7 26 116 A D H > S+ 0 0 45 1,-0.2 4,-2.6 2,-0.2 3,-0.2 0.904 122.3 51.4 -65.0 -45.5 -19.7 -4.2 4.8 27 117 A Q H > S+ 0 0 132 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.890 104.8 56.0 -63.3 -41.7 -22.6 -3.2 2.5 28 118 A E H > S+ 0 0 102 -4,-0.3 4,-0.7 1,-0.2 -1,-0.2 0.871 112.5 43.0 -59.4 -37.0 -24.8 -6.1 3.6 29 119 A V H >X S+ 0 0 12 -4,-1.2 4,-2.2 -3,-0.2 3,-0.7 0.901 110.3 54.9 -76.5 -39.3 -24.5 -4.9 7.2 30 120 A M H 3X S+ 0 0 22 -4,-2.6 4,-2.8 1,-0.3 -2,-0.2 0.885 97.9 65.0 -59.2 -38.5 -24.9 -1.2 6.3 31 121 A L H 3< S+ 0 0 92 -4,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.889 114.4 32.0 -49.9 -40.1 -28.2 -2.1 4.6 32 122 A W H << S+ 0 0 177 -3,-0.7 -2,-0.2 -4,-0.7 -1,-0.2 0.805 132.0 27.5 -87.6 -32.9 -29.5 -3.0 8.0 33 123 A L H < S+ 0 0 34 -4,-2.2 -3,-0.2 17,-0.1 -2,-0.2 0.511 89.2 110.3-114.0 -9.0 -27.6 -0.7 10.4 34 124 A A S < S- 0 0 0 -4,-2.8 3,-0.2 -5,-0.3 72,-0.1 -0.307 80.7 -85.9 -73.4 153.6 -26.8 2.5 8.4 35 125 A W S S- 0 0 23 70,-0.5 13,-0.1 72,-0.3 -1,-0.1 -0.200 74.1 -70.6 -43.0 143.2 -28.5 6.0 9.0 36 126 A P + 0 0 19 0, 0.0 -1,-0.2 0, 0.0 6,-0.1 -0.222 55.6 178.8 -51.6 123.4 -31.7 6.0 6.9 37 127 A F + 0 0 59 -3,-0.2 -2,-0.1 1,-0.2 69,-0.1 0.289 65.7 38.1-112.6 6.7 -30.6 6.2 3.3 38 128 A D S > S- 0 0 80 1,-0.1 3,-2.5 0, 0.0 4,-0.2 -0.972 83.2-117.2-152.6 145.7 -34.0 6.2 1.7 39 129 A P G > S+ 0 0 91 0, 0.0 3,-1.5 0, 0.0 4,-0.2 0.796 112.4 66.7 -53.7 -30.7 -37.3 7.8 2.8 40 130 A T G 3 S+ 0 0 106 1,-0.3 3,-0.2 2,-0.1 0, 0.0 0.622 102.8 48.4 -65.6 -11.6 -38.9 4.3 3.2 41 131 A L G X S+ 0 0 20 -3,-2.5 3,-2.0 1,-0.1 -1,-0.3 0.375 76.4 104.5-108.8 3.4 -36.5 3.8 6.1 42 132 A K T < S+ 0 0 93 -3,-1.5 -1,-0.1 1,-0.3 -2,-0.1 0.734 81.5 50.1 -64.3 -22.7 -37.0 7.1 8.0 43 133 A F T 3 S+ 0 0 147 -4,-0.2 2,-1.2 -3,-0.2 -1,-0.3 0.164 77.2 102.8-102.3 17.9 -39.1 5.4 10.7 44 134 A E X - 0 0 59 -3,-2.0 3,-1.7 1,-0.2 4,-0.2 -0.764 57.5-173.6 -94.2 86.7 -36.6 2.6 11.4 45 135 A F T > + 0 0 131 -2,-1.2 3,-1.3 1,-0.3 4,-0.2 0.668 68.9 70.4 -68.5 -23.7 -35.5 4.4 14.5 46 136 A W T >> S+ 0 0 106 1,-0.2 4,-2.7 2,-0.2 3,-2.1 0.840 88.0 71.3 -56.6 -31.3 -32.6 2.1 15.5 47 137 A R H <> S+ 0 0 11 -3,-1.7 4,-0.6 1,-0.3 -1,-0.2 0.693 82.5 66.1 -63.8 -24.9 -30.8 3.5 12.4 48 138 A Y H <4 S+ 0 0 58 -3,-1.3 -1,-0.3 -4,-0.2 -2,-0.2 0.622 121.2 21.3 -69.5 -9.9 -30.3 7.0 14.0 49 139 A F H X4 S+ 0 0 78 -3,-2.1 3,-2.0 -4,-0.2 -2,-0.2 0.683 107.3 71.9-122.0 -40.0 -28.0 5.1 16.5 50 140 A T H >< S+ 0 0 24 -4,-2.7 3,-1.9 1,-0.3 4,-0.3 0.642 79.1 78.9 -68.6 -16.6 -26.7 1.8 15.1 51 141 A H G >< S+ 0 0 3 -4,-0.6 58,-2.3 1,-0.3 3,-1.4 0.820 84.6 66.7 -54.2 -30.2 -24.4 3.5 12.6 52 142 A A G < S+ 0 0 6 -3,-2.0 -1,-0.3 56,-0.3 -2,-0.2 0.671 91.5 61.8 -67.9 -16.2 -22.1 3.9 15.6 53 143 A L G < S+ 0 0 37 -3,-1.9 2,-0.5 -20,-0.2 -1,-0.3 0.542 86.3 88.3 -88.1 -9.3 -21.6 0.1 15.8 54 144 A M < - 0 0 0 -3,-1.4 2,-0.3 -4,-0.3 -40,-0.1 -0.792 51.7-177.1 -99.0 130.2 -20.0 -0.3 12.4 55 145 A H - 0 0 0 -2,-0.5 54,-0.1 -41,-0.2 -34,-0.1 -0.950 16.1-155.3-126.1 151.0 -16.2 0.0 11.7 56 146 A F + 0 0 64 -2,-0.3 2,-0.3 52,-0.2 3,-0.1 0.338 69.4 17.8-114.0 4.8 -14.5 -0.2 8.4 57 147 A S S > S- 0 0 54 1,-0.1 4,-2.1 100,-0.0 5,-0.3 -0.975 76.9-103.8-164.5 164.1 -10.9 -1.3 9.1 58 148 A L H > S+ 0 0 128 -2,-0.3 4,-2.9 1,-0.2 5,-0.2 0.924 121.5 48.7 -58.8 -45.8 -8.8 -2.9 11.9 59 149 A M H > S+ 0 0 86 2,-0.2 4,-2.0 1,-0.2 5,-0.4 0.860 107.9 56.2 -62.4 -38.1 -7.3 0.5 12.8 60 150 A H H > S+ 0 0 36 1,-0.2 4,-1.5 2,-0.2 -2,-0.2 0.967 116.3 33.7 -59.2 -54.8 -10.7 2.1 12.9 61 151 A I H X S+ 0 0 15 -4,-2.1 4,-2.7 2,-0.2 5,-0.3 0.895 116.4 56.5 -71.8 -39.0 -12.1 -0.3 15.5 62 152 A L H X S+ 0 0 82 -4,-2.9 4,-1.9 -5,-0.3 -3,-0.2 0.966 113.7 35.8 -60.0 -55.6 -8.8 -0.9 17.4 63 153 A F H X S+ 0 0 89 -4,-2.0 4,-2.2 1,-0.2 5,-0.2 0.874 116.3 54.8 -71.8 -32.1 -8.1 2.7 18.3 64 154 A N H X S+ 0 0 1 -4,-1.5 4,-2.5 -5,-0.4 -1,-0.2 0.948 112.0 43.3 -62.4 -46.0 -11.8 3.6 18.8 65 155 A L H X S+ 0 0 17 -4,-2.7 4,-2.6 2,-0.2 -1,-0.2 0.799 110.6 55.9 -73.5 -26.7 -12.3 0.8 21.3 66 156 A L H X S+ 0 0 76 -4,-1.9 4,-2.1 -5,-0.3 5,-0.2 0.937 112.8 41.2 -66.0 -46.8 -9.0 1.6 23.1 67 157 A W H X>S+ 0 0 23 -4,-2.2 4,-3.0 2,-0.2 5,-0.7 0.916 116.3 50.4 -66.4 -42.3 -10.1 5.2 23.6 68 158 A W H X>S+ 0 0 0 -4,-2.5 4,-1.3 -5,-0.2 5,-1.2 0.935 110.6 49.2 -58.8 -47.4 -13.6 4.0 24.5 69 159 A W H X5S+ 0 0 140 -4,-2.6 4,-0.7 3,-0.2 -2,-0.2 0.937 119.4 38.0 -57.5 -48.3 -12.3 1.4 27.0 70 160 A Y H X5S+ 0 0 104 -4,-2.1 4,-1.6 -5,-0.2 -2,-0.2 0.969 128.9 27.8 -71.9 -55.8 -10.1 4.0 28.7 71 161 A L H X5S+ 0 0 2 -4,-3.0 4,-2.5 -5,-0.2 -3,-0.2 0.931 126.5 44.2 -76.9 -47.7 -12.2 7.1 28.7 72 162 A G H XS+ 0 0 0 -4,-2.5 4,-2.8 1,-0.2 5,-0.7 0.942 113.9 46.6 -58.9 -48.2 -16.5 7.9 33.1 76 166 A E H X5S+ 0 0 9 -4,-2.9 4,-1.3 3,-0.2 -2,-0.2 0.927 115.3 45.2 -62.0 -45.4 -18.6 4.9 33.9 77 167 A K H <5S+ 0 0 152 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.945 125.4 29.5 -64.4 -48.5 -16.5 3.9 37.0 78 168 A R H <5S+ 0 0 145 -4,-2.6 -2,-0.2 -5,-0.2 -3,-0.2 0.817 135.6 23.6 -85.2 -30.9 -16.3 7.3 38.5 79 169 A L H <5S- 0 0 50 -4,-2.8 4,-0.3 -5,-0.4 -3,-0.2 0.480 110.7-101.8-119.7 -11.2 -19.5 9.0 37.3 80 170 A G X< - 0 0 28 -4,-1.3 4,-1.4 -5,-0.7 3,-0.4 0.045 27.1 -84.8 107.2 153.2 -21.9 6.2 36.6 81 171 A S H > S+ 0 0 40 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.851 120.8 62.1 -58.1 -39.1 -23.3 4.2 33.7 82 172 A G H > S+ 0 0 48 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.896 101.2 51.4 -56.9 -43.3 -26.0 6.8 33.2 83 173 A K H > S+ 0 0 57 -3,-0.4 4,-2.4 -4,-0.3 5,-0.2 0.927 110.7 47.5 -59.2 -46.5 -23.5 9.5 32.4 84 174 A L H X S+ 0 0 0 -4,-1.4 4,-2.3 1,-0.2 -2,-0.2 0.909 109.7 54.2 -66.2 -39.1 -21.8 7.3 29.8 85 175 A I H X S+ 0 0 72 -4,-2.5 4,-2.8 2,-0.2 -1,-0.2 0.945 111.3 44.5 -57.5 -49.0 -25.1 6.3 28.2 86 176 A V H X S+ 0 0 65 -4,-2.2 4,-2.5 2,-0.2 5,-0.4 0.935 112.3 49.5 -68.5 -44.0 -26.1 10.0 27.7 87 177 A I H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 5,-0.3 0.936 114.7 48.1 -55.5 -44.2 -22.8 11.2 26.4 88 178 A T H X S+ 0 0 13 -4,-2.3 4,-2.3 -5,-0.2 5,-0.2 0.936 112.7 45.8 -65.1 -47.9 -22.9 8.3 23.9 89 179 A L H X S+ 0 0 80 -4,-2.8 4,-2.0 -5,-0.2 -1,-0.2 0.913 116.2 43.9 -63.4 -45.0 -26.4 8.8 22.7 90 180 A I H X S+ 0 0 75 -4,-2.5 4,-2.5 -5,-0.2 5,-0.3 0.929 116.1 46.1 -69.6 -43.9 -26.2 12.5 22.2 91 181 A S H X S+ 0 0 0 -4,-2.3 4,-2.4 -5,-0.4 5,-0.4 0.899 112.5 50.5 -68.4 -37.0 -22.8 12.4 20.5 92 182 A A H X S+ 0 0 6 -4,-2.3 4,-2.0 -5,-0.3 5,-0.2 0.933 114.0 45.5 -63.4 -46.0 -23.7 9.5 18.2 93 183 A L H X S+ 0 0 63 -4,-2.0 4,-2.3 -5,-0.2 -2,-0.2 0.929 118.0 40.7 -62.2 -48.7 -26.9 11.3 17.1 94 184 A L H X S+ 0 0 74 -4,-2.5 4,-2.4 2,-0.2 5,-0.2 0.925 118.1 44.7 -75.0 -43.4 -25.4 14.8 16.5 95 185 A S H X S+ 0 0 4 -4,-2.4 4,-2.8 -5,-0.3 -1,-0.2 0.914 115.2 50.2 -66.3 -38.2 -22.2 13.6 14.9 96 186 A G H X S+ 0 0 0 -4,-2.0 4,-2.6 -5,-0.4 5,-0.2 0.921 110.3 50.8 -60.9 -45.3 -24.2 11.2 12.7 97 187 A Y H X S+ 0 0 111 -4,-2.3 4,-2.0 -5,-0.2 -2,-0.2 0.925 113.2 43.6 -56.5 -48.7 -26.5 14.0 11.8 98 188 A V H X S+ 0 0 25 -4,-2.4 4,-2.3 2,-0.2 5,-0.3 0.918 112.0 54.8 -68.3 -41.1 -23.7 16.3 10.7 99 189 A Q H X S+ 0 0 14 -4,-2.8 4,-2.9 -5,-0.2 5,-0.4 0.942 110.7 44.0 -54.6 -50.4 -21.9 13.5 8.9 100 190 A Q H X S+ 0 0 47 -4,-2.6 4,-1.8 3,-0.2 -1,-0.2 0.870 111.1 55.0 -67.8 -33.3 -25.0 12.6 6.8 101 191 A K H < S+ 0 0 130 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.923 119.6 31.6 -63.9 -44.2 -25.7 16.3 6.1 102 192 A F H < S+ 0 0 135 -4,-2.3 -2,-0.2 -5,-0.1 -1,-0.2 0.839 140.1 11.8 -81.3 -35.0 -22.2 16.9 4.7 103 193 A S H < S- 0 0 81 -4,-2.9 3,-0.3 1,-0.3 -3,-0.2 0.412 102.8-101.5-132.1 0.0 -21.4 13.5 3.2 104 194 A G < - 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0 0 143 -2,-0.5 2,-0.7 -3,-0.1 -12,-0.2 -0.983 54.7-112.0-164.2 162.8 -9.0 14.1 33.9 135 225 A L - 0 0 16 -14,-0.3 5,-0.1 -2,-0.3 -2,-0.0 -0.902 40.7-128.8-104.2 107.9 -6.9 13.5 30.8 136 226 A Q >> - 0 0 108 -2,-0.7 4,-1.8 1,-0.1 3,-0.6 -0.208 21.3-111.1 -56.5 142.6 -3.3 13.0 31.8 137 227 A R H 3> S+ 0 0 221 1,-0.3 4,-1.6 2,-0.2 3,-0.5 0.850 116.1 49.5 -37.9 -57.4 -0.7 15.1 30.0 138 228 A G H 3> S+ 0 0 34 1,-0.2 4,-1.5 2,-0.2 -1,-0.3 0.904 110.7 50.2 -56.1 -42.9 0.9 12.3 28.1 139 229 A L H <> S+ 0 0 46 -3,-0.6 4,-2.7 1,-0.2 -1,-0.2 0.767 100.5 63.4 -73.2 -23.4 -2.5 11.1 26.9 140 230 A I H X S+ 0 0 47 -4,-1.8 4,-2.5 -3,-0.5 -1,-0.2 0.944 103.3 51.0 -59.4 -46.1 -3.4 14.6 25.7 141 231 A I H X S+ 0 0 92 -4,-1.6 4,-1.9 2,-0.2 -2,-0.2 0.933 113.1 42.7 -56.0 -48.6 -0.5 14.2 23.3 142 232 A F H X S+ 0 0 118 -4,-1.5 4,-2.2 2,-0.2 -1,-0.2 0.859 110.9 55.4 -73.2 -31.9 -1.7 10.9 21.9 143 233 A A H X S+ 0 0 6 -4,-2.7 4,-2.4 2,-0.2 -1,-0.2 0.924 108.5 50.3 -58.6 -44.3 -5.3 12.0 21.8 144 234 A L H X S+ 0 0 89 -4,-2.5 4,-3.1 2,-0.2 -2,-0.2 0.889 108.1 51.6 -62.8 -39.0 -4.1 14.9 19.6 145 235 A I H X S+ 0 0 100 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.904 110.7 48.3 -65.2 -40.6 -2.2 12.6 17.3 146 236 A W H X S+ 0 0 37 -4,-2.2 4,-1.3 2,-0.2 -2,-0.2 0.893 113.1 48.6 -63.7 -41.4 -5.3 10.5 16.9 147 237 A I H >X S+ 0 0 36 -4,-2.4 4,-3.2 1,-0.2 3,-0.5 0.961 110.2 50.6 -63.8 -50.8 -7.4 13.6 16.2 148 238 A V H 3X S+ 0 0 65 -4,-3.1 4,-2.2 1,-0.2 6,-0.3 0.879 104.6 59.4 -52.5 -42.5 -4.8 14.9 13.7 149 239 A A H 3<>S+ 0 0 21 -4,-2.0 5,-2.3 1,-0.2 6,-0.4 0.890 115.0 34.4 -55.6 -42.9 -4.9 11.5 11.9 150 240 A G H X<5S+ 0 0 15 -4,-1.3 3,-1.3 -3,-0.5 -2,-0.2 0.858 112.7 59.5 -81.2 -37.3 -8.6 11.9 11.3 151 241 A W H 3<5S+ 0 0 99 -4,-3.2 -2,-0.2 1,-0.3 -3,-0.2 0.881 114.1 36.8 -60.9 -38.5 -8.7 15.7 10.8 152 242 A F T 3<5S- 0 0 129 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.165 109.0-118.7-103.3 16.8 -6.2 15.4 7.8 153 243 A D T X 5 + 0 0 78 -3,-1.3 3,-1.8 1,-0.2 -3,-0.2 0.847 49.1 168.3 55.0 36.3 -7.6 12.2 6.4 154 244 A L T 3 > - 0 0 19 1,-0.1 4,-1.7 -2,-0.0 3,-0.7 -0.414 37.5-127.1 -61.5 139.4 -16.2 15.0 8.0 161 251 A N H 3> S+ 0 0 46 1,-0.3 4,-2.7 2,-0.2 5,-0.2 0.807 111.2 62.6 -62.8 -27.8 -14.4 17.3 10.3 162 252 A G H 3> S+ 0 0 20 2,-0.2 4,-2.2 1,-0.2 -1,-0.3 0.873 102.9 49.5 -60.6 -38.3 -17.8 19.0 11.0 163 253 A A H <> S+ 0 0 0 -3,-0.7 4,-2.2 2,-0.2 -2,-0.2 0.884 109.5 51.5 -67.4 -40.4 -18.9 15.6 12.4 164 254 A H H X S+ 0 0 2 -4,-1.7 4,-2.6 2,-0.2 -2,-0.2 0.933 111.1 47.8 -56.1 -49.6 -15.8 15.5 14.6 165 255 A I H X S+ 0 0 92 -4,-2.7 4,-2.9 1,-0.2 -2,-0.2 0.895 108.4 55.2 -61.3 -42.5 -16.4 19.0 15.9 166 256 A A H X S+ 0 0 10 -4,-2.2 4,-1.7 2,-0.2 -1,-0.2 0.936 110.6 44.6 -58.4 -47.6 -20.1 18.1 16.6 167 257 A G H X S+ 0 0 0 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.939 113.6 49.8 -61.3 -46.0 -19.0 15.1 18.8 168 258 A L H X S+ 0 0 57 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.910 107.5 55.8 -58.8 -41.1 -16.3 17.2 20.5 169 259 A A H X S+ 0 0 45 -4,-2.9 4,-2.8 1,-0.2 -1,-0.2 0.872 104.1 52.7 -61.4 -41.3 -18.9 19.9 21.2 170 260 A V H X S+ 0 0 12 -4,-1.7 4,-2.5 2,-0.2 5,-0.2 0.938 111.3 46.6 -58.5 -48.6 -21.3 17.5 23.0 171 261 A G H X S+ 0 0 0 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.930 114.7 46.4 -60.8 -45.7 -18.5 16.3 25.3 172 262 A L H X S+ 0 0 52 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.928 112.5 50.7 -63.4 -44.1 -17.3 19.9 26.1 173 263 A A H X S+ 0 0 54 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.927 111.4 46.9 -60.8 -46.5 -20.9 21.1 26.7 174 264 A M H X S+ 0 0 33 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.889 112.8 49.4 -64.2 -37.5 -21.7 18.3 29.1 175 265 A A H X S+ 0 0 0 -4,-2.2 4,-1.7 -5,-0.2 -2,-0.2 0.905 109.6 52.4 -68.0 -39.7 -18.4 18.8 31.0 176 266 A F H X S+ 0 0 96 -4,-2.6 4,-1.3 2,-0.2 -2,-0.2 0.941 111.5 46.5 -57.5 -48.8 -19.1 22.5 31.2 177 267 A V H X S+ 0 0 82 -4,-2.4 4,-2.0 1,-0.2 3,-0.4 0.914 112.3 49.3 -60.8 -44.4 -22.5 21.8 32.6 178 268 A D H < S+ 0 0 28 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.761 108.5 54.6 -68.8 -25.2 -21.2 19.3 35.1 179 269 A S H < S+ 0 0 20 -4,-1.7 -1,-0.2 -3,-0.2 -2,-0.2 0.748 107.3 49.9 -80.8 -25.8 -18.5 21.7 36.2 180 270 A L H < 0 0 107 -4,-1.3 -2,-0.2 -3,-0.4 -3,-0.1 0.969 360.0 360.0 -70.8 -59.7 -21.0 24.4 37.1 181 271 A N < 0 0 182 -4,-2.0 -1,-0.2 -5,-0.1 -2,-0.2 0.512 360.0 360.0 -59.5 360.0 -23.2 22.1 39.1