==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/INHIBITOR 23-SEP-11 3TXT . COMPND 2 MOLECULE: RHOMBOID PROTEASE GLPG; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR Y.XUE,Y.HA . 175 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9254.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 136 77.7 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 . 3 1.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 111 63.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 2.9 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 1 1 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 92 A R 0 0 295 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 177.2 9.8 54.2 56.5 2 93 A A - 0 0 26 1,-0.1 70,-0.1 4,-0.1 71,-0.1 -0.502 360.0-120.1 -74.3 129.8 9.5 51.6 53.7 3 94 A G > - 0 0 21 -2,-0.3 4,-2.6 69,-0.2 5,-0.2 0.024 31.7 -94.9 -62.4 174.0 10.5 48.1 54.5 4 95 A P H > S+ 0 0 82 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.844 123.3 46.0 -65.8 -36.5 13.3 46.2 52.7 5 96 A V H > S+ 0 0 29 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.958 114.3 45.8 -70.4 -53.2 11.0 44.4 50.3 6 97 A T H > S+ 0 0 0 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.917 119.0 45.6 -49.0 -46.4 8.9 47.5 49.4 7 98 A W H X S+ 0 0 141 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.907 110.7 48.9 -69.0 -47.6 12.2 49.4 49.0 8 99 A V H X S+ 0 0 83 -4,-2.6 4,-2.7 1,-0.2 5,-0.2 0.890 107.8 55.3 -67.5 -35.8 14.2 46.9 47.0 9 100 A M H X S+ 0 0 33 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.915 108.7 48.9 -59.6 -42.5 11.4 46.4 44.5 10 101 A M H X S+ 0 0 27 -4,-1.4 4,-2.1 -5,-0.2 -2,-0.2 0.940 111.3 49.0 -63.0 -46.8 11.4 50.2 43.9 11 102 A I H X S+ 0 0 68 -4,-2.3 4,-2.9 1,-0.2 5,-0.3 0.953 111.1 50.1 -54.3 -53.4 15.2 50.3 43.4 12 103 A A H X S+ 0 0 29 -4,-2.7 4,-2.5 1,-0.2 5,-0.2 0.897 110.3 50.1 -54.5 -43.9 15.0 47.4 41.0 13 104 A C H X S+ 0 0 0 -4,-2.2 4,-2.4 -5,-0.2 -1,-0.2 0.885 112.9 46.4 -64.6 -37.4 12.3 49.0 39.0 14 105 A V H X S+ 0 0 61 -4,-2.1 4,-2.8 2,-0.2 -2,-0.2 0.933 112.7 47.9 -72.0 -46.4 14.2 52.3 38.7 15 106 A V H X S+ 0 0 85 -4,-2.9 4,-3.2 2,-0.2 5,-0.2 0.937 115.0 46.7 -59.0 -46.4 17.5 50.7 37.8 16 107 A V H X S+ 0 0 17 -4,-2.5 4,-1.9 -5,-0.3 -2,-0.2 0.911 111.7 50.5 -63.6 -43.6 15.7 48.6 35.2 17 108 A F H X S+ 0 0 27 -4,-2.4 4,-1.5 -5,-0.2 -1,-0.2 0.879 111.2 50.1 -59.9 -38.4 13.9 51.6 33.9 18 109 A I H >X S+ 0 0 85 -4,-2.8 4,-2.1 2,-0.2 3,-0.8 0.978 108.9 50.3 -63.4 -52.5 17.2 53.4 33.7 19 110 A A H 3X S+ 0 0 29 -4,-3.2 4,-2.3 1,-0.3 5,-0.4 0.827 107.9 55.9 -54.1 -31.3 18.8 50.5 31.8 20 111 A M H 3X S+ 0 0 1 -4,-1.9 4,-1.2 -5,-0.2 -1,-0.3 0.873 106.4 48.6 -70.7 -34.4 15.8 50.7 29.4 21 112 A Q H << S+ 0 0 112 -4,-1.5 -2,-0.2 -3,-0.8 -1,-0.2 0.917 118.3 40.4 -69.0 -41.8 16.4 54.4 28.7 22 113 A I H < S+ 0 0 131 -4,-2.1 -2,-0.2 1,-0.1 -3,-0.2 0.968 129.9 24.2 -71.8 -58.4 20.1 53.8 28.0 23 114 A L H < S- 0 0 97 -4,-2.3 4,-0.3 1,-0.2 -3,-0.2 0.622 114.1-108.9 -85.9 -15.3 20.0 50.5 26.0 24 115 A G X - 0 0 23 -4,-1.2 4,-1.4 -5,-0.4 -1,-0.2 -0.082 28.3 -86.0 97.6 156.4 16.5 50.8 24.7 25 116 A D H > S+ 0 0 56 2,-0.2 4,-2.7 1,-0.2 3,-0.3 0.950 123.6 47.7 -63.8 -53.2 13.3 48.9 25.7 26 117 A Q H > S+ 0 0 144 1,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.873 107.1 57.0 -60.2 -41.9 13.7 45.9 23.3 27 118 A E H 4 S+ 0 0 110 -4,-0.3 4,-0.3 1,-0.2 -1,-0.3 0.909 113.1 41.7 -54.4 -42.8 17.3 45.4 24.4 28 119 A V H >X S+ 0 0 11 -4,-1.4 4,-1.9 -3,-0.3 3,-1.4 0.875 109.8 56.8 -76.1 -37.4 16.2 45.0 28.0 29 120 A M H 3X S+ 0 0 24 -4,-2.7 4,-2.9 1,-0.3 -2,-0.2 0.891 95.6 67.2 -55.4 -41.7 13.1 42.9 27.1 30 121 A L H 3< S+ 0 0 91 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.761 113.6 30.1 -51.9 -26.3 15.5 40.4 25.4 31 122 A W H <4 S+ 0 0 181 -3,-1.4 -1,-0.2 -4,-0.3 -2,-0.2 0.707 130.4 31.1-106.6 -29.1 16.8 39.7 28.9 32 123 A L H < S+ 0 0 36 -4,-1.9 -3,-0.2 17,-0.1 -2,-0.2 0.551 90.1 108.9-113.8 -9.5 14.0 40.2 31.3 33 124 A A S < S- 0 0 0 -4,-2.9 3,-0.2 -5,-0.3 72,-0.1 -0.347 82.5 -84.5 -76.7 149.5 10.8 39.3 29.3 34 125 A W S S- 0 0 23 70,-0.4 -1,-0.1 72,-0.3 13,-0.1 -0.155 73.7 -74.7 -39.2 134.9 8.6 36.3 29.8 35 126 A P - 0 0 18 0, 0.0 -1,-0.2 0, 0.0 6,-0.1 -0.147 53.6-179.8 -46.0 127.0 10.3 33.5 27.8 36 127 A F + 0 0 63 -3,-0.2 -2,-0.1 1,-0.2 69,-0.0 0.239 67.1 37.2-116.6 8.9 9.6 34.2 24.1 37 128 A D S > S- 0 0 76 1,-0.1 3,-2.4 0, 0.0 -1,-0.2 -0.954 83.6-116.9-154.7 145.5 11.4 31.2 22.7 38 129 A P G > S+ 0 0 84 0, 0.0 3,-1.8 0, 0.0 4,-0.2 0.808 112.2 67.6 -53.7 -33.8 11.8 27.5 23.9 39 130 A T G 3 S+ 0 0 109 1,-0.3 3,-0.3 2,-0.1 4,-0.1 0.715 102.3 49.5 -57.4 -17.4 15.5 28.0 24.3 40 131 A L G X S+ 0 0 23 -3,-2.4 3,-1.0 1,-0.2 -1,-0.3 0.356 78.4 101.2-104.1 4.3 14.6 30.4 27.1 41 132 A K T < S+ 0 0 94 -3,-1.8 -1,-0.2 1,-0.3 -2,-0.1 0.671 80.4 50.7 -72.3 -18.0 12.2 28.3 29.1 42 133 A F T 3 S+ 0 0 149 -3,-0.3 2,-2.1 -4,-0.2 -1,-0.3 0.558 78.9 99.7 -96.6 -10.1 14.6 27.3 31.9 43 134 A E X - 0 0 59 -3,-1.0 3,-2.0 1,-0.2 4,-0.2 -0.532 59.0-172.8 -72.6 77.9 15.7 30.9 32.6 44 135 A F T > S+ 0 0 131 -2,-2.1 3,-1.4 1,-0.3 4,-0.2 0.635 70.8 70.8 -54.8 -26.1 13.3 31.0 35.6 45 136 A W T >> S+ 0 0 122 1,-0.2 4,-2.7 2,-0.2 3,-2.7 0.871 86.1 70.6 -60.9 -32.9 13.8 34.7 36.4 46 137 A R H <> S+ 0 0 13 -3,-2.0 4,-0.5 1,-0.3 -1,-0.2 0.697 86.3 64.9 -57.5 -22.6 11.9 35.5 33.2 47 138 A Y H <4 S+ 0 0 55 -3,-1.4 -1,-0.3 -4,-0.2 -2,-0.2 0.640 120.6 20.5 -74.8 -11.1 8.7 34.2 34.9 48 139 A F H X4 S+ 0 0 70 -3,-2.7 3,-1.3 -4,-0.2 -2,-0.2 0.639 107.6 72.6-124.8 -27.5 9.0 37.1 37.3 49 140 A T H >< S+ 0 0 21 -4,-2.7 3,-2.6 1,-0.3 4,-0.3 0.718 77.5 80.0 -72.6 -20.9 11.2 39.9 35.9 50 141 A H G >< S+ 0 0 4 -4,-0.5 58,-1.8 1,-0.3 3,-1.2 0.828 86.5 63.4 -50.0 -31.5 8.7 41.0 33.3 51 142 A A G < S+ 0 0 6 -3,-1.3 -1,-0.3 56,-0.3 -2,-0.2 0.581 91.9 63.9 -72.9 -9.1 7.1 42.9 36.2 52 143 A L G < S+ 0 0 32 -3,-2.6 2,-0.4 -20,-0.2 -1,-0.2 0.505 84.4 91.4 -93.3 -9.0 10.2 45.1 36.7 53 144 A M < - 0 0 0 -3,-1.2 2,-0.4 -4,-0.3 -40,-0.1 -0.747 51.1-174.3 -96.2 134.0 10.0 46.8 33.3 54 145 A H - 0 0 0 -2,-0.4 54,-0.1 -41,-0.2 3,-0.1 -0.966 14.6-159.8-127.9 147.0 8.2 50.1 32.7 55 146 A F S S+ 0 0 76 -2,-0.4 2,-0.3 52,-0.2 -1,-0.1 0.475 71.1 18.6-107.9 -4.2 7.6 51.8 29.3 56 147 A S S > S- 0 0 57 1,-0.1 4,-1.8 0, 0.0 5,-0.2 -0.969 78.2-104.3-155.6 167.2 6.8 55.4 30.3 57 148 A L H > S+ 0 0 122 -2,-0.3 4,-2.2 1,-0.2 5,-0.1 0.909 121.1 47.8 -60.6 -45.3 7.3 57.8 33.1 58 149 A M H > S+ 0 0 98 2,-0.2 4,-1.9 1,-0.2 5,-0.3 0.750 106.7 59.1 -69.1 -26.5 3.6 57.6 34.1 59 150 A H H > S+ 0 0 35 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.971 113.3 34.8 -68.1 -53.0 3.7 53.8 34.0 60 151 A I H X S+ 0 0 13 -4,-1.8 4,-3.3 1,-0.2 5,-0.3 0.880 116.3 56.7 -69.3 -38.0 6.4 53.4 36.6 61 152 A L H X S+ 0 0 82 -4,-2.2 4,-2.4 -5,-0.2 -2,-0.2 0.931 111.3 39.7 -62.7 -49.6 5.3 56.4 38.7 62 153 A F H X S+ 0 0 76 -4,-1.9 4,-2.3 2,-0.2 5,-0.2 0.914 118.1 48.7 -69.6 -41.1 1.7 55.2 39.2 63 154 A N H X S+ 0 0 0 -4,-1.8 4,-2.9 -5,-0.3 5,-0.2 0.964 115.2 44.6 -59.1 -49.3 2.8 51.6 39.8 64 155 A L H X S+ 0 0 24 -4,-3.3 4,-2.7 2,-0.2 -2,-0.2 0.851 111.0 54.2 -67.5 -33.8 5.5 52.7 42.2 65 156 A L H X S+ 0 0 85 -4,-2.4 4,-2.2 -5,-0.3 -1,-0.2 0.963 114.5 40.5 -60.6 -51.8 3.2 55.1 44.0 66 157 A W H X>S+ 0 0 29 -4,-2.3 4,-3.0 2,-0.2 5,-0.6 0.896 116.5 49.0 -65.0 -42.0 0.6 52.3 44.6 67 158 A W H X>S+ 0 0 0 -4,-2.9 4,-1.4 -5,-0.2 5,-1.2 0.928 110.4 52.7 -62.2 -43.6 3.3 49.7 45.4 68 159 A W H X5S+ 0 0 141 -4,-2.7 4,-0.7 -5,-0.2 -2,-0.2 0.927 117.3 36.2 -57.1 -50.0 4.9 52.1 47.8 69 160 A Y H X5S+ 0 0 105 -4,-2.2 4,-1.4 -5,-0.2 -2,-0.2 0.930 129.3 30.5 -72.8 -46.7 1.7 52.8 49.7 70 161 A L H X5S+ 0 0 1 -4,-3.0 4,-2.7 2,-0.2 5,-0.2 0.944 124.7 42.8 -83.4 -52.8 0.1 49.3 49.6 71 162 A G H XS+ 0 0 0 -4,-2.7 4,-3.4 1,-0.2 5,-1.0 0.950 112.7 47.0 -55.9 -50.5 1.4 45.2 54.0 75 166 A E H X5S+ 0 0 10 -4,-2.7 4,-0.8 3,-0.2 -1,-0.2 0.896 116.3 44.2 -61.2 -41.0 5.1 44.8 54.8 76 167 A K H <5S+ 0 0 85 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.951 125.0 31.4 -71.2 -48.1 4.8 47.0 57.9 77 168 A R H <5S+ 0 0 149 -4,-2.9 -2,-0.2 -5,-0.1 -3,-0.2 0.833 136.7 20.1 -78.5 -37.6 1.6 45.5 59.3 78 169 A L H <5S- 0 0 51 -4,-3.4 4,-0.3 -5,-0.4 -3,-0.2 0.560 110.8-101.4-116.7 -14.5 1.8 41.9 58.1 79 170 A G X< - 0 0 27 -5,-1.0 4,-1.5 -4,-0.8 3,-0.4 -0.052 28.2 -83.5 110.1 153.5 5.5 41.3 57.4 80 171 A S H > S+ 0 0 42 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.889 120.7 61.4 -57.2 -42.5 8.0 41.1 54.5 81 172 A G H > S+ 0 0 45 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.893 102.4 50.7 -54.2 -45.5 7.1 37.4 53.9 82 173 A K H > S+ 0 0 56 -3,-0.4 4,-2.5 -4,-0.3 5,-0.3 0.918 110.9 48.6 -58.8 -47.0 3.5 38.2 53.1 83 174 A L H X S+ 0 0 0 -4,-1.5 4,-2.5 1,-0.2 -2,-0.2 0.938 110.3 52.8 -58.3 -47.0 4.5 41.0 50.6 84 175 A I H X S+ 0 0 73 -4,-2.8 4,-2.7 2,-0.2 -2,-0.2 0.906 111.6 44.4 -55.3 -46.9 7.0 38.5 49.0 85 176 A V H X S+ 0 0 66 -4,-2.3 4,-2.7 2,-0.2 5,-0.3 0.941 113.0 49.0 -69.7 -48.0 4.3 35.8 48.4 86 177 A I H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 5,-0.3 0.926 115.1 48.2 -52.5 -43.6 1.6 38.1 47.1 87 178 A T H X S+ 0 0 16 -4,-2.5 4,-2.2 -5,-0.3 5,-0.2 0.939 112.1 46.1 -66.2 -48.9 4.2 39.6 44.8 88 179 A L H X S+ 0 0 86 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.884 115.8 45.9 -63.7 -40.4 5.5 36.3 43.5 89 180 A I H X S+ 0 0 78 -4,-2.7 4,-2.7 -5,-0.2 5,-0.3 0.935 114.1 45.3 -72.6 -44.4 2.1 34.8 42.9 90 181 A S H X>S+ 0 0 0 -4,-2.3 4,-2.7 -5,-0.3 5,-0.5 0.902 113.0 51.4 -65.7 -40.8 0.5 37.8 41.2 91 182 A A H X5S+ 0 0 4 -4,-2.2 4,-2.4 -5,-0.3 5,-0.2 0.963 114.1 43.7 -58.7 -52.0 3.5 38.3 38.9 92 183 A L H X5S+ 0 0 69 -4,-1.9 4,-2.2 -5,-0.2 -2,-0.2 0.929 120.3 39.5 -59.6 -51.6 3.5 34.7 37.8 93 184 A L H X5S+ 0 0 76 -4,-2.7 4,-2.4 2,-0.2 5,-0.2 0.929 119.2 43.5 -72.2 -43.7 -0.2 34.4 37.3 94 185 A S H X5S+ 0 0 11 -4,-2.7 4,-3.2 -5,-0.3 5,-0.2 0.945 115.0 52.7 -66.6 -40.7 -0.9 37.8 35.7 95 186 A G H X> S+ 0 0 0 1,-0.2 4,-2.1 -2,-0.1 3,-0.5 0.455 86.9 98.9 -84.8 -2.1 4.2 46.1 38.2 110 201 A S H 3> S+ 0 0 18 1,-0.3 4,-2.8 2,-0.2 -1,-0.2 0.752 73.8 59.1 -68.7 -25.6 0.5 46.6 37.8 111 202 A G H 3> S+ 0 0 5 -3,-0.5 4,-1.8 2,-0.2 -1,-0.3 0.946 112.5 43.5 -62.4 -43.5 -0.5 43.0 38.0 112 203 A V H <> S+ 0 0 2 -3,-0.5 4,-2.6 -4,-0.2 -2,-0.2 0.889 111.8 52.4 -65.6 -44.6 1.1 43.1 41.5 113 204 A V H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.915 108.0 51.3 -59.8 -44.4 -0.5 46.4 42.4 114 205 A Y H X S+ 0 0 5 -4,-2.8 4,-3.1 2,-0.2 5,-0.2 0.917 109.2 51.5 -59.6 -42.1 -4.0 45.1 41.5 115 206 A A H X S+ 0 0 0 -4,-1.8 4,-3.4 2,-0.2 -2,-0.2 0.934 110.4 48.1 -57.6 -48.3 -3.3 42.1 43.7 116 207 A L H X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 5,-0.3 0.867 111.8 51.0 -61.5 -38.1 -2.3 44.5 46.5 117 208 A M H X S+ 0 0 5 -4,-2.6 4,-2.1 2,-0.2 5,-0.2 0.958 114.1 42.5 -61.6 -53.9 -5.5 46.6 45.8 118 209 A G H X S+ 0 0 3 -4,-3.1 4,-2.5 1,-0.2 5,-0.3 0.938 117.7 47.5 -56.8 -48.9 -7.7 43.5 46.0 119 210 A Y H X S+ 0 0 0 -4,-3.4 4,-2.2 -5,-0.2 -2,-0.2 0.924 112.9 45.4 -60.8 -49.5 -5.9 42.1 49.0 120 211 A V H X S+ 0 0 3 -4,-2.7 4,-1.4 -5,-0.2 14,-0.3 0.889 116.4 46.5 -67.6 -36.5 -5.9 45.3 51.1 121 212 A W H X S+ 0 0 98 -4,-2.1 4,-1.7 -5,-0.3 3,-0.3 0.968 115.4 42.9 -68.0 -54.7 -9.5 46.1 50.4 122 213 A L H X S+ 0 0 28 -4,-2.5 4,-2.4 -5,-0.2 5,-0.3 0.882 114.1 52.7 -61.7 -37.2 -11.0 42.6 51.0 123 214 A R H X S+ 0 0 25 -4,-2.2 4,-2.1 -5,-0.3 -1,-0.2 0.838 108.5 50.4 -66.6 -34.4 -8.8 42.2 54.1 124 215 A G H < S+ 0 0 14 -4,-1.4 -1,-0.2 -3,-0.3 -2,-0.2 0.817 114.1 44.0 -73.7 -33.6 -10.0 45.5 55.6 125 216 A E H < S+ 0 0 124 -4,-1.7 -2,-0.2 2,-0.1 -1,-0.1 0.942 125.1 31.3 -70.8 -51.2 -13.7 44.7 55.1 126 217 A R H < S+ 0 0 115 -4,-2.4 -2,-0.2 1,-0.2 -3,-0.2 0.775 130.9 29.8 -87.0 -31.2 -13.5 41.1 56.3 127 218 A D >< + 0 0 40 -4,-2.1 3,-1.5 -5,-0.3 5,-0.4 -0.567 62.0 158.8-130.3 70.5 -10.8 41.3 59.0 128 219 A P G > S+ 0 0 90 0, 0.0 3,-2.4 0, 0.0 4,-0.2 0.891 71.5 69.8 -56.4 -42.5 -10.9 44.9 60.4 129 220 A Q G 3 S+ 0 0 101 1,-0.3 -5,-0.1 -3,-0.1 -2,-0.0 0.388 83.4 76.9 -58.3 5.3 -9.1 43.6 63.5 130 221 A S G < S- 0 0 21 -3,-1.5 -1,-0.3 2,-0.2 3,-0.1 0.631 100.5-127.9 -92.0 -17.9 -6.0 43.2 61.3 131 222 A G S < S+ 0 0 27 -3,-2.4 2,-0.4 1,-0.2 -2,-0.1 0.416 75.3 109.7 85.9 -0.6 -5.2 46.9 61.2 132 223 A I + 0 0 5 -5,-0.4 2,-0.3 -9,-0.2 -1,-0.2 -0.923 35.9 136.8-116.9 132.1 -5.1 46.9 57.4 133 224 A Y - 0 0 122 -2,-0.4 2,-0.6 -3,-0.1 -12,-0.2 -0.983 49.4-115.0-162.8 158.0 -7.8 48.5 55.2 134 225 A L - 0 0 16 -14,-0.3 5,-0.1 -2,-0.3 -2,-0.0 -0.929 39.4-128.7-105.0 113.4 -8.3 50.6 52.0 135 226 A Q > - 0 0 94 -2,-0.6 4,-2.3 1,-0.1 5,-0.2 -0.199 20.4-111.3 -59.5 148.8 -9.8 54.0 52.9 136 227 A R H > S+ 0 0 224 1,-0.2 4,-1.6 2,-0.2 3,-0.3 0.904 117.3 50.5 -42.9 -57.0 -12.9 55.2 51.0 137 228 A G H > S+ 0 0 41 1,-0.2 4,-1.5 2,-0.2 3,-0.4 0.919 112.7 46.1 -52.1 -48.0 -11.0 57.9 49.2 138 229 A L H > S+ 0 0 46 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.776 102.8 63.8 -71.0 -27.8 -8.3 55.6 48.1 139 230 A I H X S+ 0 0 41 -4,-2.3 4,-2.3 -3,-0.3 -1,-0.2 0.915 103.4 50.7 -56.9 -44.2 -10.8 52.9 46.9 140 231 A I H X S+ 0 0 94 -4,-1.6 4,-0.8 -3,-0.4 -2,-0.2 0.948 113.1 42.8 -58.3 -53.8 -12.0 55.5 44.4 141 232 A F H X S+ 0 0 120 -4,-1.5 4,-1.7 1,-0.2 -1,-0.2 0.784 111.0 55.6 -69.8 -26.5 -8.5 56.2 43.1 142 233 A A H X S+ 0 0 4 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.924 105.1 54.0 -66.3 -42.6 -7.6 52.5 43.1 143 234 A L H X S+ 0 0 90 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.738 105.6 55.0 -61.1 -24.5 -10.7 51.9 40.9 144 235 A I H X S+ 0 0 99 -4,-0.8 4,-2.3 2,-0.2 -1,-0.2 0.919 108.4 44.1 -79.2 -45.7 -9.3 54.5 38.5 145 236 A W H X S+ 0 0 49 -4,-1.7 4,-1.1 2,-0.2 -2,-0.2 0.914 116.4 51.6 -61.0 -38.7 -5.9 52.9 38.0 146 237 A I H X S+ 0 0 33 -4,-2.6 4,-2.0 1,-0.2 3,-0.3 0.910 110.8 45.2 -62.1 -46.9 -8.0 49.6 37.7 147 238 A V H X S+ 0 0 63 -4,-2.2 4,-1.9 1,-0.2 6,-0.3 0.814 106.5 60.8 -65.9 -32.7 -10.3 51.1 35.0 148 239 A A H <>S+ 0 0 23 -4,-2.3 5,-1.7 1,-0.2 -1,-0.2 0.827 109.8 44.0 -61.8 -29.6 -7.2 52.5 33.3 149 240 A G H ><5S+ 0 0 10 -4,-1.1 3,-1.0 -3,-0.3 -2,-0.2 0.894 111.3 50.1 -82.5 -42.7 -6.1 48.9 32.9 150 241 A W H 3<5S+ 0 0 102 -4,-2.0 -2,-0.2 1,-0.2 7,-0.2 0.824 117.1 38.7 -68.3 -35.1 -9.4 47.3 31.9 151 242 A F T 3<5S- 0 0 131 -4,-1.9 -1,-0.2 -5,-0.1 -2,-0.1 0.054 106.6-118.4-107.0 24.8 -10.2 49.8 29.1 152 243 A D T < 5 0 0 84 -3,-1.0 -3,-0.2 3,-0.2 -4,-0.1 0.855 360.0 360.0 39.3 49.7 -6.6 50.2 27.8 153 244 A L < 0 0 158 -5,-1.7 -1,-0.1 -6,-0.3 -5,-0.0 -0.453 360.0 360.0 -79.6 360.0 -6.8 53.9 28.6 154 ! 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 0.0 155 249 A M 0 0 75 0, 0.0 2,-0.4 0, 0.0 -3,-0.2 0.000 360.0 360.0 360.0 154.9 -3.0 44.8 29.6 156 250 A A >> - 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