==== 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 MEMBRANE PROTEIN 10-NOV-09 3KMI . COMPND 2 MOLECULE: PUTATIVE MEMBRANE PROTEIN COG4129; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM DIFFICILE; . AUTHOR C.CHANG,E.RAKOWSKI,J.BEARDEN,A.JOACHIMIAK,MIDWEST CENTER FOR . 340 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17516.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 276 81.2 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 . 3 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 249 73.2 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+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 0 0 0 0 0 0 0 0 0 0 0 2 0 2 0 0 0 2 0 1 0 0 0 1 2 2 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 1 146 A N > 0 0 100 0, 0.0 4,-1.4 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -4.2 47.3 71.5 22.2 2 147 A I H > + 0 0 103 2,-0.2 4,-1.9 3,-0.1 5,-0.2 0.810 360.0 47.5 -81.6 -34.4 49.2 68.4 23.5 3 148 A H H > S+ 0 0 146 2,-0.2 4,-2.8 3,-0.2 5,-0.2 0.957 113.3 49.9 -68.1 -50.2 46.9 67.4 26.3 4 149 A K H > S+ 0 0 64 1,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.900 114.2 44.5 -48.7 -50.7 43.9 67.8 24.0 5 150 A I H X S+ 0 0 27 -4,-1.4 4,-2.0 2,-0.2 -1,-0.2 0.866 114.1 48.2 -69.3 -38.1 45.5 65.6 21.3 6 151 A H H X S+ 0 0 101 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.881 110.4 51.6 -70.8 -37.5 46.7 62.9 23.8 7 152 A E H X S+ 0 0 132 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.891 110.8 49.1 -61.5 -41.6 43.3 62.7 25.4 8 153 A V H X S+ 0 0 38 -4,-1.7 4,-2.3 -5,-0.2 -2,-0.2 0.894 112.1 46.6 -65.4 -45.6 41.7 62.2 22.0 9 154 A Q H X S+ 0 0 55 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.871 112.7 52.0 -67.7 -35.8 44.1 59.5 20.9 10 155 A K H X S+ 0 0 100 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.910 110.3 47.6 -61.8 -46.6 43.6 57.8 24.4 11 156 A K H X S+ 0 0 98 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.897 110.4 51.9 -64.2 -42.4 39.8 57.8 23.9 12 157 A L H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.928 110.2 49.1 -60.6 -45.6 40.0 56.4 20.4 13 158 A Q H X S+ 0 0 37 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.895 109.8 51.8 -56.5 -44.1 42.2 53.6 21.6 14 159 A E H X S+ 0 0 92 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.921 110.4 48.6 -62.4 -42.1 39.8 52.9 24.4 15 160 A E H X S+ 0 0 32 -4,-2.5 4,-1.7 2,-0.2 -2,-0.2 0.860 109.1 52.5 -66.0 -36.1 36.9 52.7 21.9 16 161 A V H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.927 110.2 49.2 -60.6 -43.8 38.9 50.4 19.6 17 162 A S H X S+ 0 0 13 -4,-2.3 4,-2.8 1,-0.2 5,-0.2 0.903 106.1 56.5 -68.1 -38.5 39.4 48.1 22.6 18 163 A I H X S+ 0 0 78 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.918 110.2 44.1 -55.8 -46.8 35.7 48.2 23.5 19 164 A V H X S+ 0 0 0 -4,-1.7 4,-2.0 2,-0.2 -1,-0.2 0.882 111.6 55.0 -67.1 -41.8 34.8 46.9 20.0 20 165 A L H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.930 108.4 47.4 -57.0 -45.8 37.6 44.3 20.2 21 166 A I H X S+ 0 0 17 -4,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.875 106.8 57.5 -65.0 -37.0 36.3 42.9 23.5 22 167 A D H X S+ 0 0 17 -4,-1.9 4,-1.4 -5,-0.2 -1,-0.2 0.912 106.4 51.4 -56.6 -43.3 32.7 42.8 21.9 23 168 A I H >X S+ 0 0 0 -4,-2.0 4,-1.9 1,-0.2 3,-0.5 0.948 106.7 51.1 -58.5 -50.6 34.3 40.6 19.2 24 169 A A H 3X S+ 0 0 0 -4,-2.2 4,-1.0 1,-0.2 -1,-0.2 0.877 110.5 51.3 -53.1 -40.4 35.8 38.2 21.8 25 170 A D H 3X S+ 0 0 67 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.795 103.9 57.2 -69.0 -32.2 32.4 38.0 23.5 26 171 A I H << S+ 0 0 11 -4,-1.4 -1,-0.2 -3,-0.5 -2,-0.2 0.902 99.1 59.4 -67.4 -38.4 30.7 37.1 20.2 27 172 A I H < S+ 0 0 2 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.909 115.1 35.6 -52.8 -43.5 33.0 34.1 19.7 28 173 A V H < S+ 0 0 54 -4,-1.0 -2,-0.2 1,-0.2 -1,-0.2 0.821 132.5 27.5 -85.6 -34.8 31.7 32.6 23.0 29 174 A N >< + 0 0 75 -4,-2.5 3,-0.8 1,-0.1 -1,-0.2 -0.630 66.8 170.0-125.1 75.6 28.0 33.8 22.7 30 175 A P T 3 S+ 0 0 70 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.818 79.4 40.6 -54.8 -33.6 27.2 34.2 19.0 31 176 A K T 3 S+ 0 0 188 2,-0.1 2,-0.2 -5,-0.0 3,-0.1 0.563 85.7 110.1-100.4 -11.8 23.4 34.7 19.6 32 177 A K S < S- 0 0 148 -3,-0.8 -3,-0.1 -6,-0.1 2,-0.0 -0.462 81.4-105.6 -64.3 129.4 23.4 37.0 22.6 33 178 A E - 0 0 184 -2,-0.2 2,-0.3 2,-0.1 -1,-0.1 -0.367 54.7-175.5 -47.7 130.4 22.3 40.5 21.9 34 179 A N - 0 0 67 -4,-0.1 3,-0.3 -3,-0.1 4,-0.3 -0.847 38.9-119.3-139.9 170.4 25.6 42.5 22.0 35 180 A G S > S+ 0 0 29 -2,-0.3 4,-3.2 1,-0.2 5,-0.3 0.352 75.6 108.4 -96.6 6.2 27.0 46.0 21.7 36 181 A Y H > S+ 0 0 9 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.890 82.7 45.7 -47.5 -48.8 29.3 45.5 18.7 37 182 A S H > S+ 0 0 82 -3,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.938 116.1 42.7 -66.8 -51.9 27.0 47.7 16.5 38 183 A R H > S+ 0 0 158 -4,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.907 116.6 49.5 -57.2 -43.1 26.5 50.5 18.9 39 184 A D H X S+ 0 0 42 -4,-3.2 4,-2.0 2,-0.2 -2,-0.2 0.857 110.2 49.2 -72.9 -36.6 30.2 50.5 19.9 40 185 A L H X S+ 0 0 20 -4,-2.7 4,-3.1 -5,-0.3 -1,-0.2 0.906 110.2 51.5 -63.8 -44.9 31.4 50.5 16.3 41 186 A Y H X S+ 0 0 141 -4,-2.4 4,-2.6 -5,-0.2 -2,-0.2 0.909 109.3 50.4 -57.1 -43.1 29.1 53.4 15.4 42 187 A T H X S+ 0 0 58 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.927 112.9 46.3 -61.8 -45.6 30.5 55.3 18.4 43 188 A L H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.927 112.8 49.1 -62.8 -46.2 34.0 54.7 17.3 44 189 A N H X S+ 0 0 39 -4,-3.1 4,-2.3 2,-0.2 -2,-0.2 0.903 110.8 51.1 -59.6 -41.2 33.3 55.6 13.7 45 190 A S H X S+ 0 0 43 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.883 112.1 47.0 -66.7 -37.5 31.5 58.9 14.9 46 191 A L H X S+ 0 0 18 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.824 109.6 52.8 -68.9 -35.4 34.6 59.8 17.1 47 192 A I H X S+ 0 0 2 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.936 113.3 45.7 -63.5 -42.4 37.0 59.0 14.2 48 193 A D H X S+ 0 0 101 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.910 114.3 45.2 -69.2 -45.8 34.9 61.4 12.0 49 194 A S H X S+ 0 0 64 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.886 112.7 52.4 -65.3 -36.1 34.6 64.2 14.6 50 195 A S H X S+ 0 0 8 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.932 114.2 41.8 -66.8 -42.3 38.3 63.9 15.4 51 196 A I H X S+ 0 0 23 -4,-2.2 4,-2.6 2,-0.2 5,-0.2 0.924 113.5 52.3 -69.8 -42.3 39.4 64.2 11.8 52 197 A S H X S+ 0 0 60 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.895 109.9 49.7 -61.4 -41.9 36.8 66.9 11.0 53 198 A E H X S+ 0 0 122 -4,-2.6 4,-1.1 2,-0.2 -1,-0.2 0.904 110.4 50.0 -61.5 -40.4 38.1 68.9 14.0 54 199 A T H >< S+ 0 0 19 -4,-1.8 3,-0.5 1,-0.2 -2,-0.2 0.918 112.0 47.6 -65.2 -40.9 41.7 68.5 12.7 55 200 A Y H >< S+ 0 0 34 -4,-2.6 3,-1.2 1,-0.2 4,-0.3 0.863 106.0 58.5 -67.8 -40.0 40.7 69.7 9.2 56 201 A D H 3< S+ 0 0 117 -4,-2.2 3,-0.3 1,-0.2 -1,-0.2 0.809 112.1 41.8 -54.2 -32.5 38.9 72.6 10.6 57 202 A N T XX S+ 0 0 63 -4,-1.1 3,-0.8 -3,-0.5 4,-0.7 0.147 74.9 106.7-112.1 14.0 42.1 73.8 12.2 58 203 A I G X4 S+ 0 0 26 -3,-1.2 3,-0.8 1,-0.2 -1,-0.2 0.896 80.8 57.7 -58.7 -37.3 44.8 73.2 9.6 59 204 A N G 34 S+ 0 0 118 -4,-0.3 -1,-0.2 -3,-0.3 -2,-0.1 0.751 117.5 31.2 -63.8 -26.0 44.9 77.0 9.1 60 205 A N G <4 S+ 0 0 141 -3,-0.8 2,-0.4 2,-0.1 -1,-0.2 0.243 101.8 94.8-118.0 9.7 45.7 77.6 12.7 61 206 A T S << S- 0 0 49 -3,-0.8 2,-0.4 -4,-0.7 -7,-0.0 -0.837 81.7-106.9-111.5 143.0 47.7 74.6 13.7 62 207 A L >> - 0 0 122 -2,-0.4 4,-1.9 1,-0.2 3,-1.1 -0.525 32.4-135.8 -53.5 114.3 51.4 73.8 13.9 63 208 A L H 3> S+ 0 0 70 -2,-0.4 4,-1.9 1,-0.3 -1,-0.2 0.728 104.2 68.5 -51.8 -20.5 51.6 71.5 10.9 64 209 A S H 3> S+ 0 0 63 2,-0.2 4,-2.3 1,-0.2 -1,-0.3 0.950 103.1 39.1 -60.6 -52.9 53.7 69.5 13.3 65 210 A D H <> S+ 0 0 42 -3,-1.1 4,-2.1 2,-0.2 -2,-0.2 0.860 113.2 56.8 -65.3 -37.6 50.8 68.6 15.5 66 211 A T H X S+ 0 0 10 -4,-1.9 4,-2.7 2,-0.2 5,-0.2 0.864 109.5 46.6 -63.3 -39.6 48.5 68.2 12.5 67 212 A R H X S+ 0 0 48 -4,-1.9 4,-2.4 -5,-0.2 5,-0.3 0.955 110.6 49.7 -65.6 -55.1 50.9 65.5 11.2 68 213 A F H X S+ 0 0 120 -4,-2.3 4,-1.2 1,-0.2 -2,-0.2 0.869 116.3 47.7 -49.8 -38.6 51.2 63.7 14.5 69 214 A F H X S+ 0 0 15 -4,-2.1 4,-2.2 2,-0.2 3,-0.3 0.976 112.1 41.7 -71.3 -58.1 47.5 63.7 14.6 70 215 A L H X S+ 0 0 8 -4,-2.7 4,-1.9 1,-0.3 -2,-0.2 0.872 114.7 53.3 -63.4 -35.7 46.4 62.6 11.0 71 216 A E H X S+ 0 0 71 -4,-2.4 4,-1.1 -5,-0.2 -1,-0.3 0.857 110.0 47.7 -63.8 -36.4 49.1 59.9 11.0 72 217 A H H X S+ 0 0 11 -4,-1.2 4,-1.9 -5,-0.3 3,-0.2 0.875 108.7 54.8 -70.2 -36.6 47.8 58.6 14.3 73 218 A X H X S+ 0 0 1 -4,-2.2 4,-2.8 1,-0.2 -2,-0.2 0.837 100.8 59.8 -64.6 -34.5 44.3 58.7 12.9 74 219 A D H X S+ 0 0 17 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.885 105.3 48.6 -61.6 -38.3 45.4 56.5 10.0 75 220 A I H X S+ 0 0 25 -4,-1.1 4,-2.4 -3,-0.2 -2,-0.2 0.924 111.7 48.9 -64.7 -44.9 46.4 53.8 12.5 76 221 A I H X S+ 0 0 6 -4,-1.9 4,-2.7 2,-0.2 -2,-0.2 0.919 110.7 50.1 -61.9 -43.2 43.1 54.0 14.3 77 222 A K H X S+ 0 0 23 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.919 110.2 51.1 -60.6 -42.4 41.3 53.8 10.9 78 223 A S H X S+ 0 0 25 -4,-2.1 4,-1.7 2,-0.2 -2,-0.2 0.856 110.8 48.4 -58.6 -40.9 43.4 50.7 10.1 79 224 A Q H X S+ 0 0 5 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.895 109.5 52.9 -65.9 -44.3 42.4 49.2 13.5 80 225 A R H X S+ 0 0 33 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.911 109.2 49.1 -57.8 -48.4 38.7 50.0 12.8 81 226 A D H X S+ 0 0 50 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.887 110.5 50.3 -55.6 -42.6 39.0 48.2 9.5 82 227 A I H X S+ 0 0 4 -4,-1.7 4,-2.9 2,-0.2 -2,-0.2 0.882 107.6 54.7 -68.0 -38.1 40.6 45.1 11.2 83 228 A L H X S+ 0 0 0 -4,-2.3 4,-3.0 2,-0.2 -1,-0.2 0.933 108.5 48.1 -56.0 -48.7 37.8 45.1 13.7 84 229 A E H X S+ 0 0 77 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.895 111.2 51.0 -59.8 -41.0 35.3 44.9 10.9 85 230 A N H X S+ 0 0 50 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.914 111.5 47.2 -60.4 -46.4 37.3 42.1 9.3 86 231 A L H X S+ 0 0 0 -4,-2.9 4,-3.1 2,-0.2 5,-0.3 0.963 110.4 52.6 -59.0 -51.8 37.3 40.1 12.6 87 232 A Y H X S+ 0 0 79 -4,-3.0 4,-2.5 1,-0.2 -2,-0.2 0.891 108.1 50.7 -51.1 -49.3 33.6 40.7 13.1 88 233 A S H < S+ 0 0 58 -4,-2.2 4,-0.4 2,-0.2 -1,-0.2 0.942 114.6 44.9 -53.8 -47.5 32.8 39.3 9.6 89 234 A Y H >< S+ 0 0 24 -4,-2.1 3,-1.7 1,-0.2 4,-0.4 0.952 114.5 45.0 -65.3 -50.3 34.9 36.3 10.4 90 235 A V H >< S+ 0 0 5 -4,-3.1 3,-1.4 1,-0.3 -1,-0.2 0.852 104.9 63.0 -67.1 -30.8 33.6 35.5 13.9 91 236 A S T 3< S+ 0 0 67 -4,-2.5 -1,-0.3 -5,-0.3 -2,-0.2 0.609 100.0 57.0 -68.5 -9.4 30.0 36.1 12.7 92 237 A Q T < S+ 0 0 104 -3,-1.7 -1,-0.3 -4,-0.4 -2,-0.2 0.595 77.9 119.3 -92.4 -14.1 30.6 33.1 10.4 93 238 A L < - 0 0 26 -3,-1.4 3,-0.1 -4,-0.4 55,-0.0 -0.301 42.0-170.1 -58.4 136.9 31.6 30.6 13.2 94 239 A N S S+ 0 0 112 50,-0.2 2,-0.3 1,-0.1 -1,-0.1 0.485 70.9 13.1 -97.8 -13.8 29.2 27.5 13.5 95 240 A S - 0 0 70 50,-0.1 -1,-0.1 53,-0.0 0, 0.0 -0.932 67.5-126.0-158.2 161.4 30.5 26.2 16.8 96 241 A T - 0 0 38 -2,-0.3 5,-0.1 -3,-0.1 -69,-0.0 -0.684 37.0-179.3-120.7 77.9 32.8 27.3 19.7 97 242 A P >> - 0 0 39 0, 0.0 4,-2.0 0, 0.0 3,-0.9 -0.159 46.8 -91.1 -69.8 172.5 35.5 24.6 20.0 98 243 A P H 3> S+ 0 0 93 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.876 128.1 54.6 -53.3 -40.5 38.2 24.8 22.7 99 244 A Q H 3> S+ 0 0 25 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.814 106.6 51.8 -63.8 -31.5 40.6 26.6 20.3 100 245 A A H <> S+ 0 0 0 -3,-0.9 4,-2.8 2,-0.2 -1,-0.2 0.906 108.5 50.7 -66.7 -44.8 37.9 29.3 19.7 101 246 A H H X S+ 0 0 92 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.887 111.2 49.2 -57.6 -38.5 37.5 29.7 23.5 102 247 A I H X S+ 0 0 81 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.906 110.9 49.6 -69.3 -41.4 41.3 30.1 23.6 103 248 A L H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.921 110.5 50.3 -59.0 -48.6 41.2 32.7 20.8 104 249 A S H X S+ 0 0 4 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.929 109.7 50.0 -58.6 -43.7 38.5 34.6 22.7 105 250 A A H X S+ 0 0 58 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.914 110.6 51.2 -59.4 -41.8 40.5 34.6 25.9 106 251 A F H X S+ 0 0 4 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.901 108.9 49.8 -65.5 -41.3 43.5 35.9 23.9 107 252 A I H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 -1,-0.2 0.886 110.9 50.1 -64.5 -41.8 41.4 38.7 22.4 108 253 A H H X S+ 0 0 50 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.903 109.3 52.1 -57.5 -43.8 40.1 39.7 25.9 109 254 A K H X S+ 0 0 96 -4,-2.3 4,-1.1 1,-0.2 -2,-0.2 0.944 111.9 46.1 -59.5 -48.0 43.7 39.7 27.1 110 255 A I H >< S+ 0 0 0 -4,-2.5 3,-0.7 1,-0.2 -2,-0.2 0.938 111.0 52.4 -58.9 -49.2 44.6 42.0 24.3 111 256 A G H 3< S+ 0 0 7 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.824 117.2 37.4 -59.3 -32.1 41.6 44.3 24.9 112 257 A Y H 3< S+ 0 0 162 -4,-1.9 2,-0.6 -3,-0.2 -1,-0.2 0.490 92.8 96.9-101.5 -6.0 42.4 44.7 28.6 113 258 A T << - 0 0 49 -4,-1.1 2,-0.3 -3,-0.7 -4,-0.0 -0.779 67.3-137.9 -94.4 120.5 46.2 44.9 28.7 114 259 A E - 0 0 120 -2,-0.6 2,-0.4 1,-0.1 -2,-0.1 -0.578 31.7-112.5 -69.7 132.9 47.7 48.4 28.7 115 260 A F + 0 0 33 -2,-0.3 2,-0.2 4,-0.1 -1,-0.1 -0.576 44.9 169.9 -75.8 122.8 50.7 48.4 26.3 116 261 A E >> - 0 0 157 -2,-0.4 3,-1.4 -3,-0.0 4,-0.6 -0.639 54.2 -67.7-116.7-176.0 54.0 48.7 28.1 117 262 A A T 34 S+ 0 0 96 1,-0.3 4,-0.3 -2,-0.2 3,-0.2 0.818 131.5 25.0 -42.9 -49.8 57.6 48.3 26.7 118 263 A E T 3> S+ 0 0 101 1,-0.2 4,-2.6 2,-0.1 -1,-0.3 0.428 94.8 99.1-101.7 0.1 57.4 44.6 26.0 119 264 A T H <> S+ 0 0 16 -3,-1.4 4,-2.7 1,-0.2 5,-0.3 0.909 81.3 47.6 -60.4 -51.7 53.7 44.1 25.6 120 265 A G H X S+ 0 0 1 -4,-0.6 4,-2.9 1,-0.2 -1,-0.2 0.944 114.7 48.2 -54.8 -48.7 53.4 44.1 21.8 121 266 A N H > S+ 0 0 55 -4,-0.3 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4,-2.1 2,-0.2 -2,-0.2 0.935 112.0 45.8 -61.8 -47.8 49.0 29.7 15.1 132 277 A I H X S+ 0 0 81 -4,-2.4 4,-1.7 1,-0.2 -2,-0.2 0.901 114.3 49.0 -62.5 -40.0 51.4 26.8 15.6 133 278 A S H < S+ 0 0 54 -4,-2.1 -2,-0.2 2,-0.2 -1,-0.2 0.892 111.4 47.5 -70.1 -42.5 49.0 25.1 18.0 134 279 A X H >< S+ 0 0 1 -4,-2.6 3,-0.9 1,-0.2 -1,-0.2 0.892 113.6 49.4 -63.5 -38.6 46.0 25.5 15.8 135 280 A K H 3< S+ 0 0 74 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.827 109.5 51.6 -68.1 -32.2 48.0 24.2 12.8 136 281 A N T 3< S+ 0 0 95 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.229 88.4 110.6 -96.7 15.3 49.3 21.2 14.8 137 282 A Q S < S- 0 0 50 -3,-0.9 -3,-0.0 1,-0.2 -4,-0.0 -0.331 83.6 -70.5 -79.6 161.2 45.8 20.0 16.0 138 283 A P - 0 0 101 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 -0.311 63.7 -98.7 -49.4 134.7 43.9 16.8 14.9 139 284 A L - 0 0 50 1,-0.1 2,-0.1 172,-0.1 174,-0.1 -0.116 49.2 -85.4 -55.1 153.2 42.7 17.1 11.3 140 285 A P - 0 0 13 0, 0.0 -1,-0.1 0, 0.0 3,-0.0 -0.424 26.2-150.0 -68.2 139.5 39.1 18.1 10.7 141 286 A V S S+ 0 0 111 -2,-0.1 2,-0.2 -3,-0.1 168,-0.1 0.782 76.5 3.4 -77.4 -31.3 36.5 15.3 10.7 142 287 A D S > S- 0 0 74 1,-0.1 4,-2.4 167,-0.0 5,-0.1 -0.841 81.3 -90.9-145.3-179.5 34.2 17.2 8.3 143 288 A R H > S+ 0 0 129 -2,-0.2 4,-2.8 2,-0.2 5,-0.2 0.895 120.9 54.5 -64.2 -44.8 33.7 20.2 6.0 144 289 A T H > S+ 0 0 55 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.919 111.3 46.2 -55.2 -44.8 32.0 22.2 8.8 145 290 A E H > S+ 0 0 64 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.920 110.3 52.5 -66.1 -46.4 35.0 21.6 11.0 146 291 A F H X S+ 0 0 8 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.938 112.7 45.8 -51.9 -49.1 37.5 22.5 8.2 147 292 A E H X S+ 0 0 36 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.870 109.6 52.8 -64.6 -41.5 35.6 25.8 7.6 148 293 A N H X S+ 0 0 9 -4,-2.1 4,-1.6 2,-0.2 -1,-0.2 0.865 111.2 48.6 -62.6 -37.6 35.4 26.7 11.3 149 294 A R H X S+ 0 0 23 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.940 108.0 52.3 -68.6 -50.3 39.1 26.2 11.7 150 295 A A H X S+ 0 0 9 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.884 107.9 53.2 -53.1 -41.4 40.0 28.3 8.7 151 296 A I H X S+ 0 0 9 -4,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.914 108.6 49.8 -58.6 -42.6 37.8 31.1 10.1 152 297 A L H X S+ 0 0 2 -4,-1.6 4,-1.4 1,-0.2 -2,-0.2 0.881 110.0 50.5 -66.6 -36.6 39.8 30.9 13.3 153 298 A F H X S+ 0 0 41 -4,-2.4 4,-1.5 1,-0.2 -1,-0.2 0.869 106.4 54.1 -70.9 -34.1 43.1 31.0 11.4 154 299 A L H X S+ 0 0 3 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.826 103.6 58.2 -65.7 -33.6 42.0 34.1 9.4 155 300 A C H X S+ 0 0 0 -4,-1.7 4,-2.8 2,-0.2 -1,-0.2 0.907 102.5 52.9 -57.5 -44.2 41.3 35.8 12.8 156 301 A L H X S+ 0 0 0 -4,-1.4 4,-1.8 1,-0.2 -2,-0.2 0.874 105.7 54.9 -62.1 -37.1 45.0 35.2 13.8 157 302 A T H X S+ 0 0 10 -4,-1.5 4,-1.4 2,-0.2 -1,-0.2 0.939 111.1 43.6 -59.1 -48.7 46.0 37.0 10.6 158 303 A E H X S+ 0 0 10 -4,-1.8 4,-2.5 1,-0.2 -2,-0.2 0.923 111.0 55.7 -64.6 -41.5 44.0 40.0 11.4 159 304 A L H X S+ 0 0 0 -4,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.803 100.7 58.1 -63.4 -31.5 45.2 40.0 15.0 160 305 A K H X S+ 0 0 115 -4,-1.8 4,-2.1 -3,-0.2 -1,-0.2 0.952 109.8 43.4 -64.1 -47.6 48.8 40.1 14.0 161 306 A Q H X S+ 0 0 49 -4,-1.4 4,-2.4 1,-0.2 -2,-0.2 0.899 110.6 56.8 -65.4 -38.4 48.3 43.3 12.1 162 307 A F H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.915 109.9 44.8 -53.3 -44.2 46.2 44.7 15.0 163 308 A L H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.871 111.4 52.0 -73.0 -34.0 49.1 44.1 17.4 164 309 A V H X S+ 0 0 39 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.906 112.9 47.2 -64.5 -42.0 51.6 45.6 15.0 165 310 A N H X S+ 0 0 17 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.872 110.6 49.6 -65.0 -42.5 49.3 48.6 14.8 166 311 A R H X S+ 0 0 7 -4,-2.4 4,-0.6 1,-0.2 -2,-0.2 0.899 112.2 49.1 -69.5 -36.1 48.8 49.0 18.5 167 312 A K H >X S+ 0 0 47 -4,-2.1 4,-2.4 2,-0.2 3,-0.7 0.890 110.3 51.1 -65.4 -42.0 52.6 48.8 19.1 168 313 A H H 3X S+ 0 0 106 -4,-2.0 4,-1.1 1,-0.2 -2,-0.2 0.917 107.7 52.1 -61.0 -47.6 53.2 51.4 16.4 169 314 A A H 3< S+ 0 0 13 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.609 114.2 44.4 -64.7 -15.9 50.6 53.8 18.0 170 315 A Q H << S+ 0 0 54 -3,-0.7 -2,-0.2 -4,-0.6 -1,-0.2 0.801 102.3 63.4 -97.3 -38.1 52.5 53.4 21.3 171 316 A X H < 0 0 138 -4,-2.4 -2,-0.2 1,-0.3 -3,-0.1 0.797 360.0 360.0 -51.7 -34.2 56.1 53.7 20.0 172 317 A L < 0 0 151 -4,-1.1 -1,-0.3 -104,-0.0 -2,-0.1 0.192 360.0 360.0 -78.5 360.0 55.3 57.3 18.9 173 !* 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 0.0 174 149 B K 0 0 130 0, 0.0 4,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 158.3 49.2 65.3 -10.7 175 150 B I > + 0 0 46 2,-0.1 4,-1.5 3,-0.1 3,-0.3 0.643 360.0 67.4-116.2 -30.0 47.7 62.7 -8.3 176 151 B H H > S+ 0 0 155 1,-0.3 4,-1.7 2,-0.2 5,-0.1 0.816 99.1 60.2 -61.3 -29.7 45.4 60.6 -10.5 177 152 B E H > S+ 0 0 128 2,-0.2 4,-2.2 1,-0.2 -1,-0.3 0.923 100.3 52.7 -54.3 -48.6 48.7 59.5 -11.9 178 153 B V H > S+ 0 0 23 -3,-0.3 4,-2.1 1,-0.2 -2,-0.2 0.825 106.1 53.7 -66.5 -31.7 49.7 58.2 -8.5 179 154 B Q H X S+ 0 0 35 -4,-1.5 4,-2.1 2,-0.2 -1,-0.2 0.885 108.6 48.1 -69.3 -39.7 46.5 56.1 -8.3 180 155 B K H X S+ 0 0 39 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.915 113.9 48.3 -62.1 -44.4 47.1 54.4 -11.7 181 156 B K H X S+ 0 0 91 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.855 110.9 49.4 -64.4 -40.7 50.7 53.7 -10.6 182 157 B L H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.907 110.1 51.4 -64.7 -43.8 49.6 52.3 -7.2 183 158 B Q H X S+ 0 0 74 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.910 110.7 49.3 -54.9 -46.2 47.0 50.1 -9.0 184 159 B E H X S+ 0 0 123 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.924 110.8 50.3 -60.7 -44.1 49.9 48.8 -11.3 185 160 B E H X S+ 0 0 25 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.841 108.0 51.2 -72.8 -30.6 52.1 48.1 -8.3 186 161 B V H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.921 111.2 49.7 -62.0 -42.5 49.4 46.2 -6.4 187 162 B S H X S+ 0 0 17 -4,-1.9 4,-2.6 1,-0.2 -2,-0.2 0.903 107.2 54.8 -69.2 -38.1 48.9 44.0 -9.6 188 163 B I H X S+ 0 0 72 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.916 110.8 44.4 -59.4 -47.1 52.6 43.5 -9.8 189 164 B V H X S+ 0 0 0 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.881 110.7 54.3 -64.4 -39.1 52.8 42.1 -6.3 190 165 B L H X S+ 0 0 0 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.913 107.5 51.1 -60.0 -45.1 49.7 40.0 -6.8 191 166 B I H X S+ 0 0 14 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.909 106.4 55.1 -57.1 -44.5 51.4 38.4 -9.9 192 167 B D H X S+ 0 0 12 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.909 105.0 53.0 -55.2 -39.4 54.5 37.7 -7.7 193 168 B I H X S+ 0 0 0 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.928 107.5 50.8 -62.9 -44.7 52.1 35.8 -5.3 194 169 B A H X S+ 0 0 0 -4,-1.9 4,-1.2 1,-0.2 -1,-0.2 0.902 109.6 52.2 -56.9 -40.1 50.8 33.7 -8.3 195 170 B D H X S+ 0 0 63 -4,-2.2 4,-1.4 1,-0.2 -1,-0.2 0.876 106.6 52.5 -66.3 -38.3 54.5 33.0 -9.1 196 171 B I H < S+ 0 0 1 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.884 100.3 62.3 -66.6 -39.0 55.3 31.8 -5.6 197 172 B I H < S+ 0 0 0 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.905 112.6 35.5 -51.9 -44.6 52.4 29.3 -5.6 198 173 B V H < S+ 0 0 34 -4,-1.2 -1,-0.2 1,-0.2 -2,-0.2 0.705 134.0 26.8 -88.5 -18.1 53.9 27.4 -8.5 199 174 B N S >< S+ 0 0 75 -4,-1.4 3,-2.1 -5,-0.2 -1,-0.2 -0.533 73.2 174.7-137.7 71.7 57.6 27.8 -7.4 200 175 B P T 3 S+ 0 0 30 0, 0.0 -4,-0.1 0, 0.0 -1,-0.1 0.667 77.9 36.6 -63.4 -20.7 57.3 28.3 -3.6 201 176 B K T 3 S+ 0 0 172 2,-0.1 2,-0.2 -5,-0.0 -5,-0.1 0.153 95.5 101.5-115.3 14.6 61.1 28.4 -3.0 202 177 B K S < S- 0 0 136 -3,-2.1 2,-0.3 -6,-0.1 -3,-0.1 -0.598 84.6 -89.3 -99.8 160.8 62.4 30.3 -6.0 203 178 B E + 0 0 165 -2,-0.2 -1,-0.1 1,-0.1 -2,-0.1 -0.559 51.7 167.9 -71.0 132.3 63.4 33.9 -6.4 204 179 B N - 0 0 43 -2,-0.3 -1,-0.1 -4,-0.1 -9,-0.1 0.369 46.5-115.9-138.3 -1.5 60.3 35.8 -7.3 205 180 B G S > S+ 0 0 7 1,-0.1 4,-3.0 3,-0.0 5,-0.3 0.270 76.4 123.5 77.3 -13.0 60.7 39.6 -7.0 206 181 B Y H > S+ 0 0 14 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.865 72.3 49.2 -46.8 -48.8 58.0 39.9 -4.2 207 182 B S H > S+ 0 0 94 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.925 115.7 43.1 -62.0 -44.8 60.3 41.6 -1.7 208 183 B R H > S+ 0 0 151 2,-0.2 4,-2.0 -3,-0.2 -2,-0.2 0.950 117.7 44.5 -63.6 -51.0 61.4 44.2 -4.3 209 184 B D H X S+ 0 0 20 -4,-3.0 4,-2.0 1,-0.2 -20,-0.2 0.832 113.6 50.0 -71.0 -32.2 57.9 44.9 -5.7 210 185 B L H X S+ 0 0 22 -4,-2.6 4,-3.6 -5,-0.3 5,-0.2 0.902 109.7 50.8 -69.9 -41.8 56.3 45.0 -2.3 211 186 B Y H X S+ 0 0 166 -4,-1.9 4,-2.5 -5,-0.3 -2,-0.2 0.891 108.8 52.1 -59.8 -40.0 58.9 47.4 -1.1 212 187 B T H X S+ 0 0 59 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.937 113.5 44.9 -61.0 -43.4 58.2 49.6 -4.2 213 188 B L H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.967 114.2 46.8 -64.9 -57.6 54.5 49.5 -3.3 214 189 B N H X S+ 0 0 30 -4,-3.6 4,-2.4 1,-0.2 -1,-0.2 0.831 113.2 50.4 -53.2 -39.4 55.0 50.2 0.5 215 190 B S H X S+ 0 0 36 -4,-2.5 4,-3.5 -5,-0.2 5,-0.3 0.882 111.2 46.7 -64.6 -44.3 57.3 53.0 -0.3 216 191 B L H X S+ 0 0 25 -4,-2.0 4,-2.1 -5,-0.2 -2,-0.2 0.877 112.6 51.1 -69.8 -38.7 55.0 54.7 -2.8 217 192 B I H X S+ 0 0 1 -4,-2.6 4,-1.7 -5,-0.2 -2,-0.2 0.960 117.1 40.0 -55.8 -51.5 52.1 54.3 -0.3 218 193 B D H X S+ 0 0 102 -4,-2.4 4,-3.2 2,-0.2 5,-0.3 0.943 117.2 46.7 -66.9 -52.7 54.3 55.9 2.4 219 194 B S H X S+ 0 0 46 -4,-3.5 4,-2.5 1,-0.2 -1,-0.2 0.922 114.0 48.6 -54.2 -47.1 55.9 58.6 0.3 220 195 B S H X S+ 0 0 6 -4,-2.1 4,-1.5 -5,-0.3 -1,-0.2 0.800 116.2 41.6 -73.5 -30.4 52.6 59.6 -1.3 221 196 B I H X S+ 0 0 16 -4,-1.7 4,-2.0 2,-0.2 5,-0.2 0.919 113.5 52.7 -73.9 -49.0 50.7 59.8 2.1 222 197 B S H X S+ 0 0 44 -4,-3.2 4,-1.5 1,-0.2 -2,-0.2 0.875 113.0 46.6 -53.4 -40.5 53.6 61.6 3.8 223 198 B E H X S+ 0 0 113 -4,-2.5 4,-1.5 -5,-0.3 -1,-0.2 0.913 105.6 57.9 -67.1 -47.7 53.6 64.1 1.0 224 199 B T H < S+ 0 0 23 -4,-1.5 -2,-0.2 1,-0.2 -1,-0.2 0.871 111.6 42.8 -50.5 -43.3 49.7 64.6 1.1 225 200 B Y H >< S+ 0 0 8 -4,-2.0 3,-1.1 2,-0.2 4,-0.2 0.800 107.9 58.0 -74.1 -35.4 50.0 65.6 4.7 226 201 B D H 3< S+ 0 0 89 -4,-1.5 3,-0.3 1,-0.2 -2,-0.2 0.791 111.6 45.6 -56.3 -30.8 53.1 67.8 4.1 227 202 B N T >X S+ 0 0 65 -4,-1.5 3,-1.9 1,-0.2 4,-1.7 0.374 80.6 114.1 -94.3 -3.8 50.8 69.6 1.6 228 203 B I T <4 S+ 0 0 15 -3,-1.1 -1,-0.2 1,-0.3 -2,-0.1 0.777 74.5 46.5 -43.4 -45.9 47.8 69.8 4.0 229 204 B N T 34 S+ 0 0 82 -3,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 0.355 117.4 38.3 -91.7 5.4 47.7 73.6 4.4 230 205 B N T <4 S+ 0 0 129 -3,-1.9 -2,-0.2 2,-0.1 -1,-0.1 0.724 100.3 72.8-115.1 -40.9 47.9 74.6 0.7 231 206 B T S < S- 0 0 56 -4,-1.7 5,-0.0 -7,-0.2 -7,-0.0 -0.300 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