==== 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 HYDROLASE 24-AUG-10 2XOV . COMPND 2 MOLECULE: RHOMBOID PROTEASE GLPG; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR K.R.VINOTHKUMAR,K.STRISOVSKY,A.ANDREEVA,Y.CHRISTOVA,S.VERHEL . 181 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9496.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 138 76.2 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 . 13 7.2 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 . 4 2.2 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 0 140 0, 0.0 2,-0.3 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 132.5 8.3 -7.9 38.3 2 92 A R - 0 0 238 1,-0.1 6,-0.0 71,-0.0 0, 0.0 -0.853 360.0 -75.3-127.0 162.9 9.8 -8.9 35.0 3 93 A A - 0 0 26 -2,-0.3 -1,-0.1 1,-0.1 70,-0.1 -0.257 54.3-117.3 -55.2 137.7 9.2 -11.7 32.4 4 94 A G > - 0 0 20 69,-0.2 4,-2.7 1,-0.1 5,-0.2 -0.058 33.8 -87.9 -72.4 179.7 10.4 -15.1 33.5 5 95 A P H > S+ 0 0 83 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.870 124.4 43.6 -62.1 -44.1 13.1 -17.2 31.8 6 96 A V H > S+ 0 0 32 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.936 115.4 48.5 -66.9 -46.3 10.9 -19.0 29.2 7 97 A T H > S+ 0 0 0 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.935 117.2 43.6 -57.5 -46.1 8.9 -15.9 28.3 8 98 A W H X S+ 0 0 146 -4,-2.7 4,-2.7 2,-0.2 5,-0.2 0.932 112.1 49.4 -67.1 -49.8 12.2 -13.9 27.9 9 99 A V H X S+ 0 0 88 -4,-2.7 4,-2.7 1,-0.2 -1,-0.2 0.893 109.7 52.8 -63.3 -37.5 14.2 -16.5 26.0 10 100 A M H X S+ 0 0 31 -4,-2.3 4,-2.3 -5,-0.2 -1,-0.2 0.923 110.7 47.3 -61.0 -43.7 11.4 -17.0 23.5 11 101 A M H X S+ 0 0 38 -4,-1.6 4,-2.1 -5,-0.2 -2,-0.2 0.943 113.0 48.6 -64.1 -46.7 11.2 -13.3 22.8 12 102 A I H X S+ 0 0 68 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.926 111.4 50.5 -56.4 -47.1 15.0 -13.1 22.4 13 103 A A H X S+ 0 0 30 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.904 109.5 49.5 -61.6 -43.8 15.1 -16.0 20.1 14 104 A C H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.888 112.1 48.7 -64.8 -38.0 12.3 -14.6 17.8 15 105 A V H X S+ 0 0 67 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.950 111.7 49.0 -66.1 -45.6 14.1 -11.3 17.6 16 106 A V H X S+ 0 0 85 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.922 113.8 46.0 -59.9 -46.5 17.4 -12.9 16.7 17 107 A V H X S+ 0 0 18 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.906 110.7 53.2 -62.4 -40.8 15.8 -15.1 14.1 18 108 A F H X S+ 0 0 28 -4,-2.4 4,-1.5 2,-0.2 -2,-0.2 0.902 109.6 48.9 -61.1 -40.5 13.9 -12.1 12.7 19 109 A I H X S+ 0 0 88 -4,-2.5 4,-2.3 1,-0.2 3,-0.4 0.949 109.1 52.2 -63.7 -47.4 17.2 -10.2 12.4 20 110 A A H X S+ 0 0 30 -4,-2.5 4,-2.9 1,-0.2 5,-0.4 0.875 107.9 53.3 -53.3 -39.0 18.7 -13.2 10.6 21 111 A M H X S+ 0 0 1 -4,-2.2 4,-1.3 1,-0.2 -1,-0.2 0.837 108.7 47.9 -69.3 -32.5 15.8 -13.2 8.2 22 112 A Q H < S+ 0 0 110 -4,-1.5 -2,-0.2 -3,-0.4 -1,-0.2 0.892 117.9 41.9 -74.1 -37.4 16.3 -9.5 7.3 23 113 A I H < S+ 0 0 129 -4,-2.3 -2,-0.2 -5,-0.1 -3,-0.2 0.947 131.0 22.8 -71.6 -51.6 20.1 -10.0 6.8 24 114 A L H < S- 0 0 98 -4,-2.9 4,-0.3 -5,-0.2 -3,-0.2 0.651 114.6-106.6 -92.0 -19.0 20.0 -13.3 4.9 25 115 A G X - 0 0 21 -4,-1.3 4,-1.2 -5,-0.4 -1,-0.2 -0.079 29.6 -89.4 98.9 152.1 16.5 -13.1 3.5 26 116 A D H > S+ 0 0 38 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.901 122.7 55.0 -63.5 -43.8 13.5 -15.2 4.7 27 117 A Q H > S+ 0 0 120 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.895 103.7 53.7 -60.8 -43.7 14.1 -18.1 2.3 28 118 A E H > S+ 0 0 101 -4,-0.3 4,-0.7 1,-0.2 -1,-0.2 0.883 113.1 43.6 -58.3 -41.3 17.7 -18.7 3.5 29 119 A V H >X S+ 0 0 13 -4,-1.2 4,-2.3 2,-0.2 3,-0.7 0.892 110.5 54.5 -74.2 -39.1 16.4 -18.9 7.1 30 120 A M H 3X S+ 0 0 22 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.877 97.6 65.1 -61.0 -37.7 13.4 -21.1 6.2 31 121 A L H 3< S+ 0 0 93 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.887 114.8 31.3 -51.1 -37.6 15.8 -23.5 4.5 32 122 A W H << S+ 0 0 182 -3,-0.7 -2,-0.2 -4,-0.7 -1,-0.2 0.795 131.3 29.6 -89.3 -34.6 17.3 -24.2 8.0 33 123 A L H < S+ 0 0 34 -4,-2.3 -3,-0.2 17,-0.1 -2,-0.2 0.556 89.1 109.7-110.1 -11.9 14.3 -23.7 10.3 34 124 A A S < S- 0 0 0 -4,-2.5 3,-0.2 -5,-0.3 72,-0.1 -0.278 80.9 -86.3 -69.5 151.6 11.1 -24.7 8.4 35 125 A W S S- 0 0 21 70,-0.5 13,-0.1 72,-0.3 -1,-0.1 -0.198 74.2 -70.5 -41.7 142.1 9.0 -27.8 8.9 36 126 A P + 0 0 19 0, 0.0 -1,-0.2 0, 0.0 6,-0.1 -0.191 56.2 178.5 -53.7 125.5 10.6 -30.6 6.9 37 127 A F + 0 0 59 -3,-0.2 -2,-0.1 1,-0.2 69,-0.1 0.274 65.0 38.6-115.1 8.2 9.9 -29.8 3.3 38 128 A D S > S- 0 0 74 1,-0.1 3,-2.8 0, 0.0 4,-0.3 -0.972 84.1-116.1-154.2 145.4 11.7 -32.8 1.7 39 129 A P G > S+ 0 0 88 0, 0.0 3,-1.3 0, 0.0 4,-0.2 0.793 112.6 67.2 -55.4 -27.0 11.9 -36.4 2.8 40 130 A T G 3 S+ 0 0 110 1,-0.2 3,-0.2 2,-0.1 0, 0.0 0.607 101.7 48.3 -67.6 -10.2 15.6 -36.0 3.3 41 131 A L G X S+ 0 0 25 -3,-2.8 3,-2.0 1,-0.1 -1,-0.2 0.369 76.0 105.3-110.4 4.5 14.9 -33.6 6.2 42 132 A K T < S+ 0 0 93 -3,-1.3 -1,-0.1 1,-0.3 -2,-0.1 0.717 81.7 49.3 -65.7 -21.6 12.3 -35.7 8.1 43 133 A F T 3 S+ 0 0 150 -4,-0.2 2,-1.2 -3,-0.2 -1,-0.3 0.165 77.7 102.5-104.1 17.3 14.8 -36.6 10.9 44 134 A E X - 0 0 58 -3,-2.0 3,-1.7 1,-0.2 4,-0.2 -0.774 57.7-173.8 -93.2 85.9 16.0 -33.1 11.5 45 135 A F T > + 0 0 128 -2,-1.2 3,-1.4 1,-0.3 4,-0.2 0.670 68.5 71.5 -69.2 -22.3 13.8 -33.0 14.6 46 136 A W T >> S+ 0 0 116 1,-0.2 4,-2.6 2,-0.2 3,-2.2 0.850 87.6 71.0 -55.9 -31.8 14.3 -29.3 15.5 47 137 A R H <> S+ 0 0 13 -3,-1.7 4,-0.5 1,-0.3 -1,-0.2 0.665 82.4 66.3 -64.7 -22.0 12.2 -28.5 12.5 48 138 A Y H <4 S+ 0 0 58 -3,-1.4 -1,-0.3 -4,-0.2 -2,-0.2 0.640 121.1 21.2 -72.4 -9.4 9.0 -29.7 14.0 49 139 A F H X4 S+ 0 0 78 -3,-2.2 3,-1.8 -4,-0.2 -2,-0.2 0.664 107.1 72.5-121.4 -37.4 9.4 -26.8 16.5 50 140 A T H >< S+ 0 0 23 -4,-2.6 3,-1.7 1,-0.3 4,-0.3 0.622 78.6 78.9 -72.0 -13.6 11.6 -24.1 15.0 51 141 A H G >< S+ 0 0 2 -4,-0.5 58,-2.4 1,-0.3 3,-1.5 0.831 84.6 66.4 -56.4 -30.8 9.0 -22.9 12.5 52 142 A A G < S+ 0 0 6 -3,-1.8 -1,-0.3 56,-0.3 -2,-0.2 0.666 91.7 62.3 -66.5 -16.1 7.5 -21.1 15.4 53 143 A L G < S+ 0 0 35 -3,-1.7 2,-0.4 56,-0.2 -1,-0.3 0.542 86.3 89.5 -87.8 -10.8 10.6 -18.8 15.7 54 144 A M < - 0 0 0 -3,-1.5 2,-0.3 -4,-0.3 -40,-0.1 -0.774 51.0-177.0 -97.2 132.4 10.2 -17.2 12.2 55 145 A H - 0 0 0 -2,-0.4 54,-0.1 -41,-0.2 -34,-0.1 -0.949 16.0-157.5-128.1 151.8 8.2 -14.1 11.5 56 146 A F + 0 0 62 -2,-0.3 2,-0.3 52,-0.1 3,-0.1 0.399 69.7 18.3-113.6 -1.5 7.5 -12.5 8.1 57 147 A S S > S- 0 0 49 1,-0.1 4,-2.1 100,-0.0 5,-0.2 -0.977 75.7-105.8-160.5 162.7 6.7 -8.8 8.8 58 148 A L H > S+ 0 0 128 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.908 120.8 49.1 -56.8 -46.0 7.0 -6.2 11.6 59 149 A M H > S+ 0 0 93 2,-0.2 4,-2.3 1,-0.2 5,-0.4 0.885 108.0 55.5 -63.4 -40.0 3.3 -6.4 12.4 60 150 A H H > S+ 0 0 1 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.958 115.6 35.8 -56.3 -55.2 3.5 -10.3 12.6 61 151 A I H X S+ 0 0 16 -4,-2.1 4,-2.5 2,-0.2 5,-0.3 0.901 115.2 56.6 -71.3 -38.5 6.3 -10.3 15.2 62 152 A L H X S+ 0 0 79 -4,-2.8 4,-1.9 -5,-0.2 -2,-0.2 0.961 113.6 36.4 -57.8 -55.3 5.1 -7.2 17.1 63 153 A F H X S+ 0 0 76 -4,-2.3 4,-2.1 1,-0.2 5,-0.2 0.881 116.1 53.6 -72.7 -34.0 1.6 -8.5 17.9 64 154 A N H X S+ 0 0 0 -4,-1.8 4,-2.4 -5,-0.4 -1,-0.2 0.938 113.0 43.6 -62.2 -45.9 2.7 -12.1 18.4 65 155 A L H X S+ 0 0 15 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.791 109.9 56.0 -73.4 -29.0 5.4 -11.0 21.0 66 156 A L H X S+ 0 0 75 -4,-1.9 4,-2.2 -5,-0.3 -1,-0.2 0.944 113.3 41.2 -63.0 -47.4 3.0 -8.6 22.7 67 157 A W H X>S+ 0 0 22 -4,-2.1 4,-3.0 2,-0.2 5,-0.6 0.898 115.8 50.3 -66.9 -41.6 0.5 -11.4 23.3 68 158 A W H X>S+ 0 0 0 -4,-2.4 4,-1.4 -5,-0.2 5,-1.1 0.939 111.1 49.0 -59.2 -48.3 3.3 -13.8 24.2 69 159 A W H X5S+ 0 0 141 -4,-2.6 4,-0.8 3,-0.2 -2,-0.2 0.928 119.2 38.3 -56.1 -48.5 4.8 -11.3 26.7 70 160 A Y H X5S+ 0 0 95 -4,-2.2 4,-1.5 -5,-0.2 -2,-0.2 0.968 128.6 28.4 -71.2 -55.4 1.4 -10.7 28.3 71 161 A L H X5S+ 0 0 1 -4,-3.0 4,-2.4 2,-0.2 -3,-0.2 0.926 126.0 43.8 -78.6 -47.4 -0.2 -14.1 28.3 72 162 A G H XS+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 5,-0.8 0.933 114.2 47.3 -59.0 -45.8 1.2 -18.2 32.9 76 166 A E H X5S+ 0 0 10 -4,-2.9 4,-1.1 3,-0.2 -2,-0.2 0.924 115.2 45.2 -65.4 -42.4 4.9 -18.4 33.7 77 167 A K H <5S+ 0 0 148 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.937 125.6 28.5 -65.4 -48.2 4.7 -16.1 36.8 78 168 A R H <5S+ 0 0 138 -4,-2.8 -2,-0.2 -5,-0.2 -3,-0.2 0.825 136.0 23.9 -86.7 -31.6 1.5 -17.6 38.3 79 169 A L H <5S- 0 0 46 -4,-2.7 4,-0.3 -5,-0.4 -3,-0.2 0.531 110.1-102.9-117.3 -13.8 1.7 -21.2 37.1 80 170 A G X< - 0 0 27 -4,-1.1 4,-1.5 -5,-0.8 3,-0.4 0.020 26.5 -84.0 108.4 152.8 5.4 -21.9 36.4 81 171 A S H > S+ 0 0 42 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.872 121.9 60.4 -54.8 -43.1 7.9 -22.2 33.6 82 172 A G H > S+ 0 0 46 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.886 101.9 51.8 -55.3 -42.5 7.0 -25.9 33.1 83 173 A K H > S+ 0 0 54 -3,-0.4 4,-2.3 -4,-0.3 5,-0.2 0.930 111.4 46.7 -60.3 -46.5 3.4 -25.0 32.3 84 174 A L H X S+ 0 0 0 -4,-1.5 4,-2.4 1,-0.2 -2,-0.2 0.910 109.1 55.3 -65.8 -39.2 4.4 -22.5 29.7 85 175 A I H X S+ 0 0 74 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.933 111.1 44.4 -56.3 -48.7 6.9 -24.9 28.1 86 176 A V H X S+ 0 0 66 -4,-2.1 4,-2.5 2,-0.2 5,-0.4 0.924 111.7 49.9 -69.3 -44.1 4.3 -27.6 27.6 87 177 A I H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 5,-0.3 0.931 114.9 48.0 -56.7 -42.6 1.6 -25.3 26.3 88 178 A T H X S+ 0 0 12 -4,-2.4 4,-2.3 -5,-0.2 5,-0.3 0.938 112.9 44.8 -66.9 -47.5 4.2 -24.0 23.8 89 179 A L H X S+ 0 0 80 -4,-2.7 4,-2.2 -5,-0.2 -1,-0.2 0.931 116.9 44.4 -65.0 -45.7 5.5 -27.3 22.6 90 180 A I H X S+ 0 0 75 -4,-2.5 4,-2.5 -5,-0.2 5,-0.3 0.934 116.2 45.5 -66.9 -44.8 2.1 -29.0 22.2 91 181 A S H X S+ 0 0 0 -4,-2.3 4,-2.3 -5,-0.4 5,-0.4 0.889 112.7 50.8 -68.6 -35.9 0.5 -26.0 20.4 92 182 A A H X S+ 0 0 5 -4,-2.3 4,-1.9 -5,-0.3 5,-0.2 0.932 113.5 45.8 -65.3 -43.8 3.5 -25.4 18.1 93 183 A L H X S+ 0 0 63 -4,-2.2 4,-2.4 -5,-0.3 -2,-0.2 0.941 117.8 40.7 -64.0 -48.3 3.5 -29.1 17.1 94 184 A L H X S+ 0 0 73 -4,-2.5 4,-2.4 2,-0.2 5,-0.2 0.919 117.7 45.5 -72.2 -43.3 -0.2 -29.4 16.5 95 185 A S H X S+ 0 0 3 -4,-2.3 4,-2.6 -5,-0.3 -1,-0.2 0.926 115.1 49.1 -65.7 -40.0 -0.8 -26.1 14.8 96 186 A G H X S+ 0 0 0 -4,-1.9 4,-2.5 -5,-0.4 5,-0.2 0.910 110.4 51.7 -62.5 -41.6 2.3 -26.6 12.7 97 187 A Y H X S+ 0 0 112 -4,-2.4 4,-2.0 -5,-0.2 -2,-0.2 0.931 112.6 43.8 -59.6 -47.5 1.1 -30.1 11.8 98 188 A V H X S+ 0 0 25 -4,-2.4 4,-1.9 1,-0.2 5,-0.3 0.912 112.0 54.5 -68.1 -39.6 -2.3 -28.9 10.7 99 189 A Q H X S+ 0 0 9 -4,-2.6 4,-2.5 -5,-0.2 5,-0.3 0.936 111.3 43.4 -57.4 -50.0 -0.8 -26.0 8.8 100 190 A Q H X S+ 0 0 48 -4,-2.5 4,-1.9 3,-0.2 -1,-0.2 0.878 109.1 59.1 -67.6 -34.2 1.5 -28.2 6.7 101 191 A K H < S+ 0 0 127 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.918 120.1 25.3 -60.5 -43.3 -1.2 -30.7 6.1 102 192 A F H < S+ 0 0 164 -4,-1.9 -2,-0.2 -5,-0.1 -1,-0.2 0.773 139.6 19.4 -92.3 -27.4 -3.5 -28.2 4.4 103 193 A S H < S- 0 0 74 -4,-2.5 3,-0.3 -5,-0.3 -3,-0.2 0.359 103.3-106.4-130.9 2.7 -1.1 -25.5 3.1 104 194 A G < - 0 0 23 -4,-1.9 -1,-0.3 -5,-0.3 -2,-0.1 -0.138 44.2 -65.9 89.3 173.9 2.5 -27.0 2.9 105 195 A P S S+ 0 0 25 0, 0.0 2,-1.2 0, 0.0 -70,-0.5 0.425 96.4 99.1 -86.1 -0.8 5.6 -26.5 5.0 106 196 A W + 0 0 134 -3,-0.3 2,-0.3 -72,-0.1 -76,-0.0 -0.705 60.6 92.4 -94.8 93.3 6.5 -22.9 4.2 107 197 A F + 0 0 1 -2,-1.2 2,-0.3 -77,-0.1 -72,-0.3 -0.954 42.2 172.3-164.5 172.6 5.1 -21.0 7.2 108 198 A G + 0 0 0 -2,-0.3 -56,-0.3 49,-0.2 51,-0.2 -0.992 18.0 83.6-175.4 171.2 6.2 -19.8 10.6 109 199 A G - 0 0 4 -58,-2.4 3,-0.5 -2,-0.3 4,-0.2 -0.199 68.8 -78.8 110.4 170.3 5.6 -17.8 13.8 110 200 A L S > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.1 3,-0.2 0.286 86.4 107.0 -90.4 9.3 4.1 -17.9 17.2 111 201 A S H > S+ 0 0 0 46,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.847 79.7 51.1 -64.2 -33.1 0.4 -17.2 16.3 112 202 A G H > S+ 0 0 0 -3,-0.5 4,-1.8 2,-0.2 -1,-0.2 0.894 111.4 48.4 -66.8 -38.8 -0.7 -20.8 16.9 113 203 A V H > S+ 0 0 2 -4,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.880 109.4 53.5 -66.7 -40.1 1.0 -20.7 20.3 114 204 A V H X S+ 0 0 0 -4,-2.5 4,-2.9 2,-0.2 5,-0.2 0.930 105.7 52.3 -62.6 -42.8 -0.8 -17.4 21.0 115 205 A Y H X S+ 0 0 6 -4,-2.3 4,-2.5 1,-0.2 5,-0.2 0.924 110.6 49.7 -57.2 -42.4 -4.2 -18.9 20.2 116 206 A A H X S+ 0 0 0 -4,-1.8 4,-2.7 1,-0.2 -2,-0.2 0.930 111.4 47.6 -61.1 -44.8 -3.4 -21.6 22.7 117 207 A L H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 5,-0.3 0.884 111.2 51.5 -66.2 -38.3 -2.4 -19.1 25.3 118 208 A M H X S+ 0 0 8 -4,-2.9 4,-2.4 2,-0.2 5,-0.3 0.951 113.5 44.0 -60.6 -50.0 -5.6 -17.0 24.7 119 209 A G H X S+ 0 0 3 -4,-2.5 4,-2.3 -5,-0.2 5,-0.3 0.906 116.0 48.3 -61.3 -42.6 -7.8 -20.1 25.1 120 210 A Y H X S+ 0 0 0 -4,-2.7 4,-2.6 -5,-0.2 5,-0.2 0.960 115.0 42.1 -62.9 -53.5 -5.9 -21.3 28.1 121 211 A V H X S+ 0 0 3 -4,-2.8 4,-1.8 1,-0.2 14,-0.3 0.911 117.7 47.0 -65.4 -42.1 -5.9 -18.0 30.0 122 212 A W H X S+ 0 0 97 -4,-2.4 4,-1.7 -5,-0.3 13,-0.3 0.965 116.4 42.1 -63.6 -52.3 -9.5 -17.1 29.1 123 213 A L H X S+ 0 0 27 -4,-2.3 4,-2.0 -5,-0.3 5,-0.3 0.882 111.8 54.5 -66.2 -38.3 -10.9 -20.6 30.0 124 214 A R H X S+ 0 0 27 -4,-2.6 4,-1.9 -5,-0.3 -1,-0.2 0.924 111.8 45.8 -60.1 -42.3 -8.9 -20.9 33.2 125 215 A G H < S+ 0 0 12 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.795 113.1 49.2 -71.2 -29.3 -10.2 -17.6 34.4 126 216 A E H < S+ 0 0 131 -4,-1.7 -1,-0.2 2,-0.2 -2,-0.2 0.779 124.0 29.1 -80.8 -27.4 -13.8 -18.4 33.4 127 217 A R H < S+ 0 0 120 -4,-2.0 -2,-0.2 -5,-0.2 -3,-0.2 0.604 133.7 27.3-105.7 -16.3 -13.8 -21.8 35.1 128 218 A D >< + 0 0 32 -4,-1.9 3,-1.9 -5,-0.3 5,-0.4 -0.432 58.4 165.5-152.2 63.1 -11.3 -21.3 37.9 129 219 A P G > S+ 0 0 93 0, 0.0 3,-2.0 0, 0.0 -1,-0.1 0.822 74.3 69.5 -52.4 -36.8 -11.1 -17.6 39.1 130 220 A Q G 3 S+ 0 0 100 1,-0.3 -5,-0.1 2,-0.1 -2,-0.0 0.446 81.2 77.9 -67.8 1.9 -9.2 -18.6 42.2 131 221 A S G < S- 0 0 25 -3,-1.9 -1,-0.3 2,-0.2 3,-0.1 0.689 99.8-129.0 -80.6 -20.9 -6.2 -19.5 40.1 132 222 A G S < S+ 0 0 25 -3,-2.0 2,-0.5 1,-0.3 -2,-0.1 0.292 75.9 111.4 87.0 -8.9 -5.3 -15.9 39.7 133 223 A I + 0 0 2 -5,-0.4 2,-0.3 -9,-0.1 -1,-0.3 -0.861 37.4 132.4-101.8 127.5 -5.1 -16.4 35.9 134 224 A Y - 0 0 135 -2,-0.5 2,-0.7 -3,-0.1 -12,-0.2 -0.982 54.0-110.4-164.8 160.8 -7.7 -14.7 33.7 135 225 A L - 0 0 16 -14,-0.3 5,-0.1 -2,-0.3 -2,-0.0 -0.897 41.3-123.9-102.3 110.1 -8.2 -12.7 30.5 136 226 A Q > - 0 0 105 -2,-0.7 4,-2.0 1,-0.1 3,-0.2 -0.132 20.0-116.2 -48.9 140.7 -9.4 -9.1 31.4 137 227 A R H > S+ 0 0 215 1,-0.2 4,-1.4 2,-0.2 3,-0.4 0.902 115.6 48.7 -44.4 -54.5 -12.7 -8.0 29.8 138 228 A G H > S+ 0 0 37 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.895 110.6 50.7 -57.8 -41.0 -11.0 -5.3 27.8 139 229 A L H > S+ 0 0 52 -3,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.789 100.4 63.1 -73.6 -24.2 -8.3 -7.6 26.6 140 230 A I H X S+ 0 0 46 -4,-2.0 4,-2.4 -3,-0.4 -1,-0.2 0.920 102.6 52.5 -59.3 -41.9 -10.9 -10.1 25.5 141 231 A I H X S+ 0 0 89 -4,-1.4 4,-1.8 -3,-0.2 -2,-0.2 0.926 112.4 41.9 -60.5 -45.7 -12.0 -7.5 23.0 142 232 A F H X S+ 0 0 120 -4,-1.4 4,-2.1 2,-0.2 -1,-0.2 0.817 110.9 56.2 -78.3 -27.3 -8.6 -6.9 21.6 143 233 A A H X S+ 0 0 4 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.921 108.6 49.1 -62.0 -43.6 -7.8 -10.6 21.5 144 234 A L H X S+ 0 0 92 -4,-2.4 4,-2.9 2,-0.2 -2,-0.2 0.871 109.1 51.6 -65.4 -36.9 -11.0 -11.0 19.4 145 235 A I H X S+ 0 0 99 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.906 110.7 48.3 -65.2 -41.8 -9.9 -8.2 17.1 146 236 A W H X S+ 0 0 10 -4,-2.1 4,-1.5 2,-0.2 -2,-0.2 0.896 112.6 49.3 -63.2 -41.4 -6.5 -9.8 16.6 147 237 A I H X S+ 0 0 39 -4,-2.4 4,-2.9 1,-0.2 3,-0.3 0.957 111.6 47.9 -63.0 -49.7 -8.2 -13.2 15.9 148 238 A V H X S+ 0 0 66 -4,-2.9 4,-2.3 1,-0.2 6,-0.3 0.875 105.4 60.1 -56.7 -40.3 -10.6 -11.6 13.4 149 239 A A H <>S+ 0 0 16 -4,-2.2 5,-2.2 1,-0.2 6,-1.4 0.909 114.1 35.3 -55.7 -44.8 -7.7 -9.8 11.7 150 240 A G H ><5S+ 0 0 6 -4,-1.5 3,-1.5 -3,-0.3 -2,-0.2 0.896 112.9 59.6 -76.0 -40.8 -6.1 -13.2 10.9 151 241 A W H 3<5S+ 0 0 89 -4,-2.9 -2,-0.2 1,-0.3 -3,-0.2 0.873 113.4 35.6 -59.9 -41.3 -9.3 -15.1 10.3 152 242 A F T 3<5S- 0 0 129 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.120 112.8-110.4-103.8 19.7 -10.4 -12.8 7.4 153 243 A D T < 5S+ 0 0 144 -3,-1.5 -3,-0.2 2,-0.2 3,-0.2 0.791 80.2 127.8 62.3 30.7 -7.0 -12.2 5.9 154 244 A L S - 0 0 37 -2,-0.2 4,-1.9 1,-0.1 3,-0.3 -0.357 29.2-102.0 -88.4 167.3 -4.4 -20.7 8.2 161 251 A N H > S+ 0 0 44 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.869 118.3 53.1 -60.3 -41.4 -7.6 -20.8 10.2 162 252 A G H > S+ 0 0 37 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.877 108.3 51.1 -62.3 -39.0 -7.6 -24.5 10.8 163 253 A A H > S+ 0 0 2 -3,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.886 110.0 49.9 -64.2 -40.4 -4.1 -24.4 12.2 164 254 A H H X S+ 0 0 1 -4,-1.9 4,-2.7 2,-0.2 -2,-0.2 0.893 107.7 53.3 -66.6 -38.4 -5.1 -21.6 14.6 165 255 A I H X S+ 0 0 86 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.888 106.3 54.0 -61.5 -38.1 -8.1 -23.6 15.7 166 256 A A H X S+ 0 0 12 -4,-1.8 4,-1.6 2,-0.2 -2,-0.2 0.925 109.6 47.0 -63.3 -42.7 -5.8 -26.5 16.5 167 257 A G H X S+ 0 0 0 -4,-1.9 4,-1.8 1,-0.2 -2,-0.2 0.938 111.6 50.8 -61.8 -46.4 -3.7 -24.2 18.7 168 258 A L H X S+ 0 0 55 -4,-2.7 4,-2.7 1,-0.2 5,-0.2 0.916 106.4 55.7 -56.8 -43.9 -6.8 -22.9 20.4 169 259 A A H X S+ 0 0 49 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.870 104.6 52.9 -59.0 -39.9 -7.9 -26.4 21.1 170 260 A V H X S+ 0 0 13 -4,-1.6 4,-2.3 -3,-0.2 -1,-0.2 0.938 111.5 45.5 -61.2 -47.0 -4.7 -27.3 22.9 171 261 A G H X S+ 0 0 0 -4,-1.8 4,-2.1 1,-0.2 -2,-0.2 0.920 114.3 48.1 -64.0 -42.8 -5.0 -24.2 25.2 172 262 A L H X S+ 0 0 53 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.926 111.8 50.3 -64.0 -44.1 -8.7 -24.9 25.9 173 263 A A H X S+ 0 0 55 -4,-2.7 4,-2.5 -5,-0.2 -2,-0.2 0.918 111.5 46.7 -61.0 -46.3 -8.0 -28.6 26.6 174 264 A M H X S+ 0 0 32 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.878 112.5 50.2 -65.1 -37.0 -5.2 -27.9 29.1 175 265 A A H X S+ 0 0 0 -4,-2.1 4,-1.6 -5,-0.2 -1,-0.2 0.883 110.3 51.7 -67.1 -36.7 -7.2 -25.2 30.8 176 266 A F H X S+ 0 0 99 -4,-2.3 4,-1.3 2,-0.2 -2,-0.2 0.936 111.6 45.6 -63.6 -48.0 -10.1 -27.7 31.1 177 267 A V H X S+ 0 0 85 -4,-2.5 4,-2.1 1,-0.2 3,-0.3 0.913 113.3 50.1 -60.8 -43.9 -7.8 -30.3 32.6 178 268 A D H < S+ 0 0 26 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.772 107.3 53.9 -69.1 -26.7 -6.3 -27.8 35.0 179 269 A S H < S+ 0 0 19 -4,-1.6 -1,-0.2 2,-0.2 -2,-0.2 0.766 108.3 50.0 -79.4 -27.2 -9.7 -26.6 36.2 180 270 A L H < 0 0 111 -4,-1.3 -2,-0.2 -3,-0.3 -3,-0.1 0.978 360.0 360.0 -70.3 -59.9 -10.8 -30.1 37.1 181 271 A N < 0 0 184 -4,-2.1 -1,-0.2 -5,-0.1 -2,-0.2 0.605 360.0 360.0 -56.6 360.0 -7.6 -30.9 39.1