==== 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 STRUCTURAL GENOMICS, UNKNOWN FUNCTION 16-NOV-07 3BEE . COMPND 2 MOLECULE: PUTATIVE YFRE PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: VIBRIO PARAHAEMOLYTICUS RIMD 2210633; . AUTHOR C.CHANG,C.HATZOS,J.ABDULLAH,A.JOACHIMIAK,MIDWEST CENTER FOR . 183 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10807.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 137 74.9 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 . 7 3.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 110 60.1 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 0 0 0 0 0 0 0 1 1 5 3 0 0 0 0 0 0 0 0 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 1 144 A N 0 0 167 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -70.6 6.5 59.4 23.9 2 145 A A - 0 0 86 1,-0.1 2,-0.0 0, 0.0 0, 0.0 -0.126 360.0 -84.7 -65.0 158.2 8.5 56.7 25.6 3 146 A V - 0 0 81 1,-0.1 -1,-0.1 2,-0.1 2,-0.1 -0.306 51.2-121.5 -55.9 141.1 9.3 53.3 24.1 4 147 A T > - 0 0 62 1,-0.1 4,-2.1 -3,-0.1 5,-0.2 -0.479 17.0-111.3 -89.3 164.7 6.5 50.8 24.7 5 148 A A H > S+ 0 0 1 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.862 121.2 52.2 -58.1 -38.6 6.7 47.5 26.6 6 149 A T H > S+ 0 0 69 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.887 107.2 51.7 -68.8 -38.2 6.1 45.7 23.2 7 150 A Q H > S+ 0 0 116 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.881 110.7 48.3 -64.0 -39.7 9.0 47.7 21.6 8 151 A L H X S+ 0 0 36 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.918 113.4 47.6 -62.6 -43.5 11.3 46.7 24.5 9 152 A A H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.833 107.7 56.8 -69.3 -33.0 10.2 43.0 24.0 10 153 A A H X S+ 0 0 48 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.895 107.6 46.6 -66.5 -40.9 10.7 43.3 20.3 11 154 A K H X S+ 0 0 119 -4,-1.8 4,-2.7 2,-0.2 5,-0.3 0.954 111.7 51.9 -64.7 -43.6 14.3 44.3 20.7 12 155 A A H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.907 109.5 50.5 -54.3 -42.1 14.7 41.5 23.2 13 156 A T H X S+ 0 0 43 -4,-2.2 4,-2.4 2,-0.2 5,-0.4 0.900 109.9 49.4 -64.9 -44.5 13.3 39.1 20.6 14 157 A T H X S+ 0 0 79 -4,-2.4 4,-1.7 1,-0.2 5,-0.3 0.952 112.6 46.6 -59.3 -50.1 15.7 40.3 17.9 15 158 A L H < S+ 0 0 35 -4,-2.7 4,-0.4 1,-0.2 7,-0.3 0.865 116.5 47.9 -61.8 -35.2 18.7 39.9 20.2 16 159 A Y H ><>S+ 0 0 0 -4,-2.2 5,-2.0 -5,-0.3 3,-0.7 0.989 116.0 35.4 -64.8 -68.8 17.5 36.5 21.2 17 160 A Y H 3<5S+ 0 0 29 -4,-2.4 3,-0.4 1,-0.3 -3,-0.2 0.748 120.1 47.6 -63.9 -31.1 16.6 34.7 17.9 18 161 A L T 3<5S+ 0 0 92 -4,-1.7 -1,-0.3 -5,-0.4 -2,-0.2 0.633 110.6 55.2 -88.1 -12.2 19.3 36.2 15.8 19 162 A H T X 5S- 0 0 114 -3,-0.7 3,-0.7 -4,-0.4 -1,-0.2 -0.420 129.0 -73.8-123.5 59.3 22.0 35.4 18.5 20 163 A K T 3 5S- 0 0 160 -3,-0.4 -3,-0.2 1,-0.2 -2,-0.1 0.646 75.2 -83.2 67.6 19.8 21.8 31.7 19.2 21 164 A Q T 3 - 0 0 60 -2,-1.8 4,-2.8 1,-0.1 5,-0.2 -0.297 47.8-101.5 -74.2 167.1 21.6 37.0 28.0 25 168 A D H > S+ 0 0 145 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.881 125.3 54.9 -52.8 -38.3 21.6 39.6 30.7 26 169 A E H > S+ 0 0 112 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.939 111.1 42.0 -64.0 -48.0 20.8 42.1 27.9 27 170 A V H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.922 114.8 51.8 -62.7 -45.9 17.8 40.2 26.7 28 171 A S H X S+ 0 0 32 -4,-2.8 4,-3.0 1,-0.2 -2,-0.2 0.918 109.6 48.7 -62.1 -45.8 16.6 39.5 30.3 29 172 A L H X S+ 0 0 102 -4,-2.8 4,-2.1 2,-0.2 -1,-0.2 0.909 110.1 50.7 -60.9 -45.3 16.8 43.2 31.2 30 173 A L H X S+ 0 0 32 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.918 114.1 46.2 -57.1 -43.1 14.8 44.3 28.1 31 174 A L H X S+ 0 0 4 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.913 109.5 53.6 -63.3 -46.3 12.2 41.7 29.0 32 175 A E H X S+ 0 0 120 -4,-3.0 4,-1.1 1,-0.2 -1,-0.2 0.868 110.8 48.0 -54.7 -40.1 12.2 42.7 32.7 33 176 A Q H X S+ 0 0 87 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.869 108.0 52.6 -73.1 -39.8 11.5 46.3 31.6 34 177 A A H X S+ 0 0 0 -4,-2.1 4,-3.0 1,-0.2 -2,-0.2 0.919 113.3 45.9 -53.9 -47.0 8.7 45.3 29.2 35 178 A L H < S+ 0 0 43 -4,-2.5 -2,-0.2 2,-0.2 -1,-0.2 0.669 106.0 58.9 -75.0 -19.5 7.1 43.5 32.1 36 179 A Q H < S+ 0 0 146 -4,-1.1 -1,-0.2 -5,-0.2 -2,-0.2 0.893 115.4 36.7 -68.8 -43.9 7.7 46.5 34.5 37 180 A L H < S+ 0 0 107 -4,-1.9 -2,-0.2 1,-0.3 -3,-0.1 0.913 138.4 15.5 -71.7 -46.7 5.6 48.6 32.1 38 181 A E >< - 0 0 84 -4,-3.0 3,-2.3 -5,-0.2 -1,-0.3 -0.849 65.6-165.2-135.1 95.4 3.1 45.8 31.2 39 182 A P T 3 S+ 0 0 81 0, 0.0 -4,-0.1 0, 0.0 -1,-0.1 0.679 94.1 40.6 -55.9 -21.5 3.1 42.8 33.6 40 183 A Y T 3 S+ 0 0 93 30,-0.1 33,-0.1 29,-0.0 31,-0.1 0.013 79.8 158.5-115.5 26.1 1.1 40.7 31.0 41 184 A N <> - 0 0 2 -3,-2.3 4,-2.4 1,-0.1 5,-0.3 -0.303 33.4-149.9 -55.6 125.5 2.9 41.9 27.9 42 185 A E H > S+ 0 0 73 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.924 92.3 49.8 -68.3 -49.7 2.3 39.3 25.2 43 186 A A H > S+ 0 0 31 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.895 116.2 43.7 -55.1 -43.0 5.5 39.7 23.3 44 187 A A H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.946 116.6 42.2 -71.8 -52.4 7.6 39.5 26.5 45 188 A L H X S+ 0 0 7 -4,-2.4 4,-2.7 1,-0.2 5,-0.2 0.848 112.9 56.5 -65.4 -33.1 5.9 36.6 28.2 46 189 A S H X S+ 0 0 38 -4,-2.2 4,-2.5 -5,-0.3 -1,-0.2 0.921 106.6 47.8 -66.7 -42.4 5.7 34.8 24.9 47 190 A L H X S+ 0 0 4 -4,-1.8 4,-2.8 -5,-0.2 -2,-0.2 0.926 112.6 50.0 -59.9 -45.7 9.5 35.0 24.4 48 191 A I H X S+ 0 0 38 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.931 113.4 45.1 -59.5 -48.7 10.1 33.8 28.0 49 192 A A H X S+ 0 0 0 -4,-2.7 4,-2.5 2,-0.2 -1,-0.2 0.888 113.6 50.0 -59.7 -45.5 7.7 30.8 27.5 50 193 A N H X S+ 0 0 50 -4,-2.5 4,-2.7 2,-0.2 5,-0.2 0.901 108.6 52.5 -64.0 -42.6 9.2 30.0 24.1 51 194 A D H X S+ 0 0 14 -4,-2.8 4,-1.6 2,-0.2 -2,-0.2 0.907 110.3 47.7 -59.7 -46.0 12.7 30.1 25.5 52 195 A H H <>S+ 0 0 29 -4,-2.2 5,-2.6 2,-0.2 3,-0.2 0.955 113.2 49.3 -52.6 -50.6 11.7 27.6 28.3 53 196 A F H ><5S+ 0 0 11 -4,-2.5 3,-2.1 1,-0.3 -2,-0.2 0.929 110.3 48.5 -59.0 -51.8 10.1 25.4 25.6 54 197 A I H 3<5S+ 0 0 30 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.803 110.8 53.2 -53.1 -35.9 13.2 25.4 23.3 55 198 A S T 3<5S- 0 0 50 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.341 118.1-115.3 -86.4 4.1 15.2 24.6 26.4 56 199 A F T < 5S+ 0 0 60 -3,-2.1 2,-1.4 1,-0.2 3,-0.2 0.659 75.2 135.1 68.2 17.3 12.9 21.6 27.1 57 200 A R >< + 0 0 91 -5,-2.6 4,-2.1 -6,-0.2 -1,-0.2 -0.634 24.1 165.1 -89.0 74.7 11.7 23.2 30.4 58 201 A F H > + 0 0 13 -2,-1.4 4,-2.2 1,-0.2 -1,-0.2 0.847 66.4 52.9 -69.9 -36.3 8.2 22.3 29.5 59 202 A Q H > S+ 0 0 111 -3,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.935 111.2 46.2 -62.5 -48.3 6.7 22.9 33.0 60 203 A E H > S+ 0 0 91 2,-0.2 4,-1.6 1,-0.2 -2,-0.2 0.851 109.5 55.2 -65.2 -36.1 8.1 26.4 33.2 61 204 A A H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.934 110.2 46.6 -56.7 -48.2 6.9 27.1 29.6 62 205 A I H X S+ 0 0 19 -4,-2.2 4,-3.1 1,-0.2 5,-0.2 0.925 109.0 54.0 -60.6 -46.3 3.4 26.1 30.7 63 206 A D H X S+ 0 0 87 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.847 110.3 47.5 -56.8 -39.0 3.5 28.2 33.8 64 207 A T H X S+ 0 0 16 -4,-1.6 4,-2.4 2,-0.2 -1,-0.2 0.895 113.8 46.6 -71.5 -42.2 4.5 31.3 31.7 65 208 A W H X S+ 0 0 9 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.877 111.0 51.6 -66.8 -38.0 1.7 30.7 29.2 66 209 A V H X S+ 0 0 80 -4,-3.1 4,-0.5 2,-0.2 -2,-0.2 0.894 110.7 49.5 -67.8 -37.7 -0.9 30.1 32.0 67 210 A L H >< S+ 0 0 87 -4,-1.7 3,-1.3 -5,-0.2 -2,-0.2 0.922 109.0 52.0 -62.3 -46.0 0.2 33.4 33.5 68 211 A L H >< S+ 0 0 1 -4,-2.4 3,-2.3 1,-0.3 -2,-0.2 0.880 100.0 63.8 -57.4 -39.4 -0.1 35.1 30.1 69 212 A L H 3< S+ 0 0 29 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.707 88.6 69.0 -60.2 -22.0 -3.7 33.7 29.9 70 213 A D T << S+ 0 0 115 -3,-1.3 -1,-0.3 -4,-0.5 -2,-0.2 0.549 75.2 121.1 -76.8 -6.1 -4.7 35.8 32.9 71 214 A S < - 0 0 11 -3,-2.3 -3,-0.0 -4,-0.2 5,-0.0 -0.255 61.1-146.9 -50.0 139.8 -4.2 38.9 30.7 72 215 A N + 0 0 161 3,-0.0 -1,-0.1 2,-0.0 -3,-0.1 0.269 59.2 124.6 -94.7 7.5 -7.4 41.0 30.4 73 216 A D > - 0 0 63 1,-0.2 3,-1.6 -33,-0.1 -2,-0.1 -0.619 53.2-154.1 -73.4 114.7 -6.5 41.9 26.8 74 217 A P T 3 S+ 0 0 121 0, 0.0 -1,-0.2 0, 0.0 -3,-0.0 0.778 91.6 58.1 -60.2 -29.1 -9.5 40.9 24.6 75 218 A N T 3 S+ 0 0 141 2,-0.1 -2,-0.1 3,-0.0 -3,-0.0 0.524 74.6 127.3 -81.9 -8.1 -7.3 40.5 21.5 76 219 A L < - 0 0 13 -3,-1.6 2,-1.9 1,-0.1 3,-0.2 -0.264 65.9-126.5 -51.1 128.4 -5.0 37.9 23.2 77 220 A D > + 0 0 76 1,-0.2 4,-1.8 2,-0.1 3,-0.1 -0.551 40.8 166.7 -81.1 80.3 -4.7 34.7 21.0 78 221 A R H > + 0 0 98 -2,-1.9 4,-2.7 1,-0.2 5,-0.2 0.824 68.5 63.5 -64.1 -36.3 -5.7 32.3 23.7 79 222 A V H > S+ 0 0 94 -3,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.936 105.8 42.1 -56.5 -49.4 -6.2 29.5 21.2 80 223 A T H > S+ 0 0 67 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.917 114.3 53.0 -66.5 -40.9 -2.5 29.5 20.1 81 224 A I H X S+ 0 0 11 -4,-1.8 4,-2.2 1,-0.2 -1,-0.2 0.920 110.1 46.4 -59.7 -46.3 -1.3 29.8 23.7 82 225 A I H X S+ 0 0 82 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.818 109.1 54.7 -70.7 -31.3 -3.4 26.8 24.8 83 226 A E H X S+ 0 0 127 -4,-1.9 4,-2.3 -5,-0.2 -1,-0.2 0.887 109.1 49.8 -62.2 -40.0 -2.2 24.7 21.8 84 227 A S H X S+ 0 0 33 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.909 109.9 49.9 -61.3 -45.9 1.4 25.5 23.0 85 228 A I H X S+ 0 0 19 -4,-2.2 4,-2.8 1,-0.2 -2,-0.2 0.917 111.1 50.5 -58.7 -46.2 0.4 24.5 26.6 86 229 A N H X S+ 0 0 59 -4,-2.3 4,-1.7 2,-0.2 -2,-0.2 0.890 109.7 47.9 -63.4 -42.8 -1.0 21.3 25.2 87 230 A K H X S+ 0 0 66 -4,-2.3 4,-0.8 2,-0.2 -2,-0.2 0.953 114.1 48.2 -56.4 -54.0 2.1 20.4 23.1 88 231 A A H >X S+ 0 0 0 -4,-2.5 3,-1.1 1,-0.2 4,-0.7 0.911 109.0 53.4 -52.8 -47.6 4.4 21.1 26.2 89 232 A K H >< S+ 0 0 108 -4,-2.8 3,-0.8 1,-0.3 -1,-0.2 0.879 107.8 51.2 -56.8 -42.1 2.2 19.0 28.4 90 233 A K H 3< S+ 0 0 120 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.652 108.0 53.0 -72.5 -16.4 2.5 16.1 26.0 91 234 A L H << 0 0 0 -3,-1.1 -1,-0.2 -4,-0.8 -2,-0.2 0.513 360.0 360.0 -97.3 -8.7 6.3 16.4 26.0 92 235 A X << 0 0 90 -3,-0.8 -1,-0.2 -4,-0.7 -2,-0.2 0.730 360.0 360.0 -74.5 360.0 6.7 16.2 29.7 93 !* 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 94 145 B A 0 0 148 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 126.5 35.4 29.3 4.5 95 146 B V - 0 0 64 1,-0.1 2,-0.1 4,-0.0 0, 0.0 -0.510 360.0-132.2 -66.7 132.4 32.1 29.1 6.4 96 147 B T > - 0 0 66 -2,-0.2 4,-2.2 1,-0.1 5,-0.1 -0.377 18.2-110.4 -82.8 166.2 32.2 26.3 8.9 97 148 B A H > S+ 0 0 1 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.896 120.2 52.5 -59.5 -42.3 29.5 23.6 9.5 98 149 B T H > S+ 0 0 66 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.905 107.6 51.9 -68.0 -38.9 28.6 25.1 12.8 99 150 B Q H > S+ 0 0 113 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.924 111.6 46.8 -53.9 -47.6 28.1 28.5 11.1 100 151 B L H X S+ 0 0 23 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.924 114.6 46.8 -59.5 -46.2 25.8 26.9 8.6 101 152 B A H X S+ 0 0 0 -4,-2.7 4,-2.0 2,-0.2 -1,-0.2 0.815 110.0 54.0 -66.3 -36.4 23.9 25.1 11.3 102 153 B A H X S+ 0 0 29 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.922 110.5 45.9 -63.4 -46.8 23.7 28.3 13.3 103 154 B K H X S+ 0 0 119 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.912 111.9 51.7 -59.8 -46.3 22.2 30.1 10.4 104 155 B A H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.871 109.0 51.6 -57.2 -40.7 19.8 27.2 9.8 105 156 B T H X S+ 0 0 21 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.922 110.4 46.3 -64.2 -47.7 18.7 27.3 13.5 106 157 B T H X S+ 0 0 24 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.951 114.1 49.1 -59.7 -47.2 17.9 31.1 13.4 107 158 B L H X S+ 0 0 32 -4,-2.4 4,-1.5 1,-0.2 -2,-0.2 0.870 106.2 56.8 -62.6 -41.4 16.0 30.6 10.1 108 159 B Y H <>S+ 0 0 4 -4,-2.3 5,-2.2 1,-0.2 6,-1.3 0.922 111.8 42.0 -54.0 -47.9 14.1 27.7 11.6 109 160 B Y H ><5S+ 0 0 33 -4,-2.0 3,-1.7 3,-0.2 -2,-0.2 0.880 111.4 55.2 -68.3 -35.0 12.8 29.9 14.5 110 161 B L H 3<5S+ 0 0 94 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.739 106.7 51.5 -71.7 -20.7 12.2 32.9 12.1 111 162 B H T 3<5S- 0 0 89 -4,-1.5 -1,-0.3 -3,-0.2 -2,-0.2 0.028 129.8-100.7 -98.0 20.5 10.0 30.5 10.1 112 163 B K T < 5S- 0 0 188 -3,-1.7 -3,-0.2 1,-0.2 -2,-0.2 0.892 79.2 -46.3 61.6 46.3 8.1 29.7 13.3 113 164 B Q S - 0 0 37 -2,-1.8 4,-2.8 1,-0.1 5,-0.2 -0.209 44.1-100.8 -66.9 164.9 11.7 24.6 5.3 117 168 B D H > S+ 0 0 149 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.887 125.3 52.2 -49.0 -45.2 13.6 23.6 2.2 118 169 B E H > S+ 0 0 97 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.889 109.4 47.5 -61.8 -43.5 16.1 26.4 2.9 119 170 B V H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.930 113.1 49.1 -61.3 -49.5 16.7 25.2 6.5 120 171 B S H X S+ 0 0 31 -4,-2.8 4,-2.9 1,-0.2 5,-0.2 0.919 108.4 53.8 -59.4 -45.2 17.2 21.6 5.4 121 172 B L H X S+ 0 0 101 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.908 110.0 46.6 -56.2 -46.0 19.6 22.6 2.7 122 173 B L H X S+ 0 0 12 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.884 113.7 48.9 -63.9 -40.2 21.8 24.5 5.2 123 174 B L H X S+ 0 0 4 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.906 111.0 49.9 -62.6 -43.7 21.7 21.6 7.6 124 175 B E H X S+ 0 0 117 -4,-2.9 4,-1.6 1,-0.2 -2,-0.2 0.880 111.5 49.1 -65.0 -38.6 22.6 19.2 4.7 125 176 B Q H X S+ 0 0 83 -4,-2.4 4,-1.2 -5,-0.2 -1,-0.2 0.876 110.4 50.3 -66.2 -41.0 25.5 21.4 3.8 126 177 B A H X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 3,-0.5 0.927 110.4 50.1 -62.7 -42.8 26.7 21.6 7.4 127 178 B L H < S+ 0 0 39 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.773 103.7 58.9 -72.8 -25.6 26.5 17.7 7.6 128 179 B Q H < S+ 0 0 176 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.840 112.6 40.2 -65.4 -35.2 28.5 17.3 4.4 129 180 B L H < S+ 0 0 107 -4,-1.2 -2,-0.2 -3,-0.5 -1,-0.2 0.899 137.3 14.8 -74.5 -42.5 31.4 19.2 6.1 130 181 B E >< - 0 0 83 -4,-2.4 3,-2.0 -5,-0.1 -1,-0.3 -0.889 65.7-165.1-141.8 96.9 30.9 17.5 9.5 131 182 B P T 3 S+ 0 0 74 0, 0.0 -4,-0.1 0, 0.0 -1,-0.1 0.678 94.2 39.6 -57.7 -25.4 28.7 14.3 9.5 132 183 B Y T 3 S+ 0 0 95 30,-0.1 33,-0.1 29,-0.0 31,-0.1 0.004 79.2 159.1-115.8 26.9 28.4 14.5 13.3 133 184 B N <> - 0 0 3 -3,-2.0 4,-2.5 1,-0.1 5,-0.2 -0.303 32.1-150.6 -55.0 123.4 27.9 18.2 13.6 134 185 B E H > S+ 0 0 88 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.903 90.9 49.9 -68.2 -48.5 26.2 18.8 17.0 135 186 B A H > S+ 0 0 36 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.910 116.1 44.1 -56.8 -46.0 24.3 22.0 16.2 136 187 B A H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.968 117.8 41.8 -63.6 -54.9 22.9 20.5 13.0 137 188 B L H X S+ 0 0 2 -4,-2.5 4,-2.8 1,-0.2 5,-0.2 0.852 112.8 54.4 -67.6 -34.2 22.0 17.1 14.4 138 189 B S H X S+ 0 0 29 -4,-2.9 4,-3.2 -5,-0.2 5,-0.2 0.933 108.8 48.8 -61.5 -49.0 20.6 18.6 17.7 139 190 B L H X S+ 0 0 10 -4,-1.8 4,-2.2 -5,-0.3 -2,-0.2 0.933 114.4 45.2 -53.5 -49.4 18.2 20.8 15.7 140 191 B I H X S+ 0 0 37 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.953 116.6 44.8 -61.7 -48.7 17.0 17.9 13.6 141 192 B A H X S+ 0 0 0 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.922 114.7 48.8 -62.2 -45.8 16.6 15.6 16.6 142 193 B N H X S+ 0 0 44 -4,-3.2 4,-2.6 1,-0.2 -1,-0.2 0.846 109.7 51.8 -62.3 -39.2 14.9 18.3 18.7 143 194 B D H X S+ 0 0 10 -4,-2.2 4,-1.1 -5,-0.2 -1,-0.2 0.907 110.2 48.5 -65.5 -46.1 12.5 19.1 15.9 144 195 B H H <>S+ 0 0 23 -4,-2.1 5,-3.2 -5,-0.2 3,-0.5 0.948 112.4 51.0 -54.6 -50.3 11.5 15.4 15.5 145 196 B F H ><5S+ 0 0 3 -4,-2.5 3,-1.9 1,-0.2 -2,-0.2 0.923 111.6 43.7 -55.6 -52.6 11.0 15.2 19.3 146 197 B I H 3<5S+ 0 0 9 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.644 111.5 56.0 -74.6 -13.2 8.7 18.3 19.6 147 198 B S T 3<5S- 0 0 36 -4,-1.1 -1,-0.3 -3,-0.5 -2,-0.2 0.266 118.9-115.2 -92.5 5.7 6.8 17.1 16.5 148 199 B F T < 5S+ 0 0 74 -3,-1.9 2,-1.3 1,-0.2 -3,-0.2 0.715 75.7 135.7 64.2 22.9 6.2 13.8 18.3 149 200 B R >< + 0 0 96 -5,-3.2 4,-2.1 -6,-0.2 -1,-0.2 -0.602 25.4 165.3 -92.4 67.9 8.4 11.9 15.8 150 201 B F H > + 0 0 24 -2,-1.3 4,-2.1 1,-0.2 -1,-0.2 0.865 65.3 49.6 -63.0 -42.4 10.0 10.1 18.7 151 202 B Q H > S+ 0 0 94 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.934 112.2 48.8 -63.2 -45.7 11.7 7.2 16.8 152 203 B E H > S+ 0 0 97 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.858 109.2 53.6 -60.2 -36.1 13.2 9.7 14.3 153 204 B A H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.928 111.2 46.1 -59.1 -46.3 14.4 11.8 17.2 154 205 B I H X S+ 0 0 15 -4,-2.1 4,-3.1 2,-0.2 -2,-0.2 0.949 110.9 51.5 -62.7 -52.5 16.1 8.7 18.8 155 206 B D H X S+ 0 0 85 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.852 111.4 49.0 -51.6 -42.6 17.7 7.7 15.4 156 207 B T H X S+ 0 0 19 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.912 112.0 46.9 -67.0 -44.8 19.1 11.2 15.0 157 208 B W H X S+ 0 0 5 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.898 110.5 53.8 -62.7 -38.7 20.6 11.3 18.6 158 209 B V H < S+ 0 0 72 -4,-3.1 4,-0.4 2,-0.2 -2,-0.2 0.915 108.7 49.0 -63.0 -39.5 22.1 7.8 18.0 159 210 B L H >< S+ 0 0 76 -4,-1.9 3,-1.8 1,-0.2 -2,-0.2 0.943 110.1 51.8 -62.0 -47.3 23.8 9.1 14.8 160 211 B L H >< S+ 0 0 1 -4,-2.4 3,-2.0 1,-0.3 -2,-0.2 0.858 100.4 61.8 -55.5 -37.1 25.0 12.1 16.9 161 212 B L T 3< S+ 0 0 42 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.602 88.4 72.5 -68.6 -11.0 26.4 9.7 19.5 162 213 B D T < S+ 0 0 100 -3,-1.8 -1,-0.3 -4,-0.4 -2,-0.2 0.466 75.5 118.6 -79.3 -5.9 28.7 8.3 16.7 163 214 B S < - 0 0 18 -3,-2.0 -30,-0.0 -4,-0.2 -3,-0.0 -0.258 63.0-146.1 -51.9 147.6 30.6 11.5 17.0 164 215 B N + 0 0 158 3,-0.0 -1,-0.1 2,-0.0 -3,-0.1 0.375 58.4 125.1 -94.3 -1.7 34.3 11.4 18.0 165 216 B D > - 0 0 66 1,-0.2 3,-1.6 -33,-0.1 -2,-0.1 -0.489 50.8-156.0 -67.8 114.9 34.1 14.6 20.0 166 217 B P T 3 S+ 0 0 114 0, 0.0 -1,-0.2 0, 0.0 -3,-0.0 0.750 91.6 54.1 -65.2 -22.0 35.4 13.8 23.6 167 218 B N T 3 S+ 0 0 148 2,-0.1 -2,-0.1 3,-0.0 -3,-0.0 0.426 75.3 125.8 -95.3 2.5 33.5 16.8 24.9 168 219 B L S < S- 0 0 10 -3,-1.6 2,-2.1 1,-0.1 3,-0.2 -0.352 70.9-120.4 -60.5 136.5 30.1 15.8 23.5 169 220 B D > + 0 0 86 1,-0.2 4,-1.7 2,-0.1 3,-0.1 -0.568 45.5 166.5 -80.6 78.4 27.5 15.7 26.3 170 221 B R H > + 0 0 80 -2,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.835 68.0 60.4 -65.2 -35.1 26.7 12.1 25.7 171 222 B V H > S+ 0 0 96 -3,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.909 105.6 45.8 -58.3 -47.8 24.9 11.8 29.0 172 223 B T H > S+ 0 0 58 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.910 111.6 52.5 -66.4 -41.7 22.3 14.4 28.1 173 224 B I H X S+ 0 0 12 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.922 109.3 49.4 -58.3 -44.9 21.8 12.9 24.7 174 225 B I H X S+ 0 0 82 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.910 108.8 53.0 -60.5 -41.9 21.2 9.5 26.3 175 226 B E H X S+ 0 0 111 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.856 108.9 50.2 -56.6 -40.1 18.6 11.1 28.7 176 227 B S H X S+ 0 0 22 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.916 110.1 49.7 -67.7 -44.0 16.8 12.6 25.6 177 228 B I H X S+ 0 0 19 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.950 111.6 48.6 -55.6 -49.3 16.8 9.1 24.0 178 229 B N H X S+ 0 0 92 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.867 110.4 51.1 -63.1 -40.5 15.3 7.6 27.2 179 230 B K H X S+ 0 0 64 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.948 110.7 48.6 -58.9 -50.0 12.7 10.3 27.4 180 231 B A H X S+ 0 0 0 -4,-2.4 4,-1.4 2,-0.2 -2,-0.2 0.889 109.6 51.7 -58.6 -42.0 11.6 9.7 23.8 181 232 B K H < S+ 0 0 140 -4,-2.4 3,-0.3 1,-0.2 -1,-0.2 0.909 111.3 48.6 -60.4 -43.1 11.4 6.0 24.4 182 233 B K H < S+ 0 0 168 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.811 108.8 52.7 -66.6 -34.2 9.2 6.6 27.4 183 234 B L H < 0 0 49 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.690 360.0 360.0 -79.5 -20.8 6.9 9.0 25.4 184 235 B X < 0 0 134 -4,-1.4 -1,-0.2 -3,-0.3 -2,-0.2 0.832 360.0 360.0 -65.3 360.0 6.4 6.4 22.7