==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION 03-AUG-10 3O8Z . COMPND 2 MOLECULE: TRANSCRIPTION FACTOR IWS1; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR S.M.MCDONALD,D.CLOSE,C.P.HILL . 152 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9192.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 119 78.3 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 . 1 0.7 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 . 4 2.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 95 62.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.7 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 1 1 1 0 1 0 0 1 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 1 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 D > 0 0 135 0, 0.0 4,-2.4 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -51.4 21.0 -3.3 63.5 2 145 A P H > + 0 0 89 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.814 360.0 56.7 -62.4 -28.1 23.2 -0.4 64.6 3 146 A F H > S+ 0 0 160 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.913 109.2 43.3 -64.6 -44.7 22.5 0.7 61.0 4 147 A T H > S+ 0 0 67 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.868 112.9 52.6 -68.5 -38.1 18.8 0.6 61.7 5 148 A D H X S+ 0 0 84 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.895 108.3 49.5 -66.7 -41.0 19.1 2.3 65.1 6 149 A D H X S+ 0 0 105 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.890 112.4 49.3 -63.8 -40.1 21.1 5.2 63.7 7 150 A L H X S+ 0 0 78 -4,-1.5 4,-1.6 2,-0.2 -1,-0.2 0.832 111.5 46.8 -70.1 -35.4 18.5 5.6 61.0 8 151 A E H X S+ 0 0 86 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.831 112.0 52.5 -75.2 -30.1 15.5 5.5 63.5 9 152 A Q H X S+ 0 0 103 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.824 105.0 54.7 -75.0 -31.2 17.4 8.0 65.7 10 153 A Y H X S+ 0 0 144 -4,-1.7 4,-1.8 2,-0.2 -2,-0.2 0.924 110.4 46.6 -63.9 -45.3 17.8 10.3 62.7 11 154 A L H X S+ 0 0 45 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.933 110.8 52.8 -59.2 -48.0 14.1 10.2 62.2 12 155 A D H X S+ 0 0 49 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.914 109.2 49.1 -54.0 -47.5 13.5 10.8 65.9 13 156 A E H X S+ 0 0 97 -4,-2.2 4,-1.6 1,-0.2 -1,-0.2 0.844 109.3 51.4 -66.8 -35.6 15.7 13.9 65.9 14 157 A K H X S+ 0 0 78 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.897 112.2 46.4 -67.1 -41.3 14.0 15.4 62.9 15 158 A I H X S+ 0 0 8 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.853 112.3 50.3 -67.8 -36.6 10.6 15.0 64.5 16 159 A L H X S+ 0 0 70 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.784 108.1 54.0 -73.3 -28.4 11.8 16.4 67.8 17 160 A R H X S+ 0 0 125 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.926 110.4 45.9 -66.4 -46.7 13.3 19.4 65.9 18 161 A L H X S+ 0 0 7 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.886 109.3 55.6 -59.8 -41.3 9.8 19.9 64.4 19 162 A K H X S+ 0 0 36 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.914 109.1 47.7 -58.1 -42.6 8.3 19.5 67.8 20 163 A D H X S+ 0 0 92 -4,-1.8 4,-2.2 1,-0.2 -2,-0.2 0.905 111.4 49.3 -66.3 -43.1 10.6 22.3 69.0 21 164 A E H X S+ 0 0 48 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.859 109.7 52.4 -64.9 -36.1 9.7 24.6 66.1 22 165 A M H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.929 111.2 46.3 -65.5 -43.7 6.0 24.0 66.7 23 166 A N H X S+ 0 0 50 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.876 112.6 50.0 -65.8 -38.9 6.3 25.0 70.3 24 167 A I H X S+ 0 0 84 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.931 111.4 49.0 -64.9 -45.2 8.4 28.1 69.4 25 168 A A H X S+ 0 0 6 -4,-2.5 4,-2.1 2,-0.2 24,-0.3 0.910 112.8 47.5 -59.0 -46.0 5.8 29.1 66.8 26 169 A A H X S+ 0 0 4 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.908 113.7 47.2 -64.6 -40.9 3.0 28.7 69.3 27 170 A Q H X S+ 0 0 97 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.890 110.4 52.5 -69.8 -37.8 4.8 30.6 72.1 28 171 A L H X S+ 0 0 72 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.912 110.1 48.4 -62.0 -44.5 5.8 33.4 69.7 29 172 A D H X S+ 0 0 1 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.878 111.7 49.2 -64.2 -40.9 2.1 33.8 68.6 30 173 A I H X S+ 0 0 49 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.929 112.1 48.9 -62.7 -44.4 1.0 33.9 72.3 31 174 A D H X S+ 0 0 80 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.906 111.8 50.3 -58.8 -42.7 3.7 36.5 73.0 32 175 A T H X S+ 0 0 36 -4,-2.4 4,-1.7 1,-0.2 -2,-0.2 0.916 111.3 46.5 -65.7 -43.3 2.5 38.5 70.0 33 176 A L H X S+ 0 0 12 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.859 111.1 52.5 -70.6 -34.7 -1.1 38.4 71.1 34 177 A N H X S+ 0 0 54 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.939 109.7 48.6 -61.3 -46.8 -0.3 39.4 74.7 35 178 A K H X S+ 0 0 120 -4,-2.3 4,-1.4 1,-0.2 6,-0.3 0.844 109.2 56.0 -61.2 -34.0 1.7 42.4 73.4 36 179 A R H X S+ 0 0 77 -4,-1.7 4,-3.1 2,-0.2 3,-0.3 0.948 109.9 42.5 -63.3 -53.0 -1.3 43.2 71.2 37 180 A I H < S+ 0 0 102 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.960 118.5 45.7 -56.0 -53.5 -3.7 43.4 74.2 38 181 A E H < S+ 0 0 151 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.690 126.1 30.0 -65.3 -20.9 -1.3 45.2 76.3 39 182 A T H < S- 0 0 84 -4,-1.4 -2,-0.2 -3,-0.3 -1,-0.2 0.682 84.7-139.3-114.4 -25.9 -0.3 47.7 73.6 40 183 A G < + 0 0 50 -4,-3.1 2,-0.2 1,-0.3 -4,-0.1 0.141 51.8 148.0 77.5 -20.2 -3.4 48.1 71.3 41 184 A D > - 0 0 65 -6,-0.3 3,-0.9 1,-0.2 -1,-0.3 -0.272 29.9-170.5 -52.0 108.5 -0.9 48.1 68.4 42 185 A T T 3 S+ 0 0 104 -2,-0.2 -1,-0.2 1,-0.2 -6,-0.1 0.483 74.4 76.7 -87.5 -4.5 -3.0 46.4 65.7 43 186 A S T 3 S+ 0 0 90 -7,-0.0 2,-0.7 2,-0.0 -1,-0.2 0.410 72.5 100.4 -82.1 0.6 -0.1 46.0 63.3 44 187 A L < + 0 0 31 -3,-0.9 2,-0.4 -4,-0.1 -4,-0.0 -0.811 54.5 177.6 -86.2 113.3 0.9 43.0 65.6 45 188 A I - 0 0 110 -2,-0.7 2,-1.0 -9,-0.0 -2,-0.0 -0.972 26.6-138.9-123.7 133.1 -0.3 39.9 63.8 46 189 A A + 0 0 21 -2,-0.4 4,-0.2 1,-0.2 -17,-0.1 -0.774 46.2 139.1 -95.9 100.7 0.3 36.3 65.1 47 190 A M > + 0 0 80 -2,-1.0 4,-2.4 2,-0.1 5,-0.2 0.276 31.3 106.0-125.2 5.9 1.2 34.2 62.0 48 191 A Q H > S+ 0 0 66 -23,-0.2 4,-1.4 1,-0.2 -22,-0.1 0.878 85.7 45.5 -62.0 -39.1 4.0 31.9 63.2 49 192 A K H > S+ 0 0 9 -24,-0.3 4,-1.5 2,-0.2 -1,-0.2 0.925 112.3 51.7 -67.6 -45.3 1.8 28.8 63.3 50 193 A V H 4 S+ 0 0 74 1,-0.2 3,-0.3 2,-0.2 -2,-0.2 0.901 108.9 51.4 -57.9 -40.3 0.2 29.6 60.0 51 194 A K H < S+ 0 0 130 -4,-2.4 4,-0.3 1,-0.2 -1,-0.2 0.866 115.4 40.9 -65.5 -36.2 3.7 29.9 58.4 52 195 A L H >X S+ 0 0 28 -4,-1.4 4,-2.0 -5,-0.2 3,-0.5 0.603 90.9 92.5 -87.4 -13.4 4.8 26.6 59.8 53 196 A L H 3X S+ 0 0 18 -4,-1.5 4,-3.2 -3,-0.3 5,-0.3 0.856 79.3 55.5 -53.8 -46.9 1.6 24.7 59.0 54 197 A P H 3> S+ 0 0 89 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.911 110.2 46.9 -56.2 -41.4 2.5 23.4 55.6 55 198 A K H <> S+ 0 0 85 -3,-0.5 4,-2.0 -4,-0.3 -2,-0.2 0.911 113.7 49.0 -63.2 -42.1 5.6 21.7 57.0 56 199 A V H X S+ 0 0 0 -4,-2.0 4,-2.5 1,-0.2 5,-0.2 0.931 112.2 47.8 -62.7 -45.1 3.5 20.3 59.9 57 200 A V H X S+ 0 0 45 -4,-3.2 4,-1.2 1,-0.2 -1,-0.2 0.884 109.5 53.2 -66.5 -37.1 0.9 19.0 57.5 58 201 A S H X S+ 0 0 71 -4,-2.1 4,-0.7 -5,-0.3 3,-0.3 0.938 111.7 45.2 -64.3 -45.1 3.4 17.4 55.2 59 202 A V H >< S+ 0 0 27 -4,-2.0 3,-1.2 1,-0.2 -2,-0.2 0.951 112.8 49.1 -63.7 -48.5 5.1 15.5 58.1 60 203 A L H 3< S+ 0 0 11 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.698 108.3 57.2 -65.8 -18.9 1.8 14.3 59.6 61 204 A S H 3< S+ 0 0 81 -4,-1.2 2,-0.6 -3,-0.3 -1,-0.3 0.621 80.4 98.7 -90.2 -15.9 0.6 13.1 56.2 62 205 A K X< - 0 0 112 -3,-1.2 3,-1.7 -4,-0.7 4,-0.4 -0.660 63.1-152.0 -78.2 116.8 3.5 10.7 55.5 63 206 A A G > S+ 0 0 92 -2,-0.6 3,-1.4 1,-0.3 4,-0.3 0.889 94.0 54.2 -52.2 -45.0 2.5 7.2 56.3 64 207 A N G 3 S+ 0 0 126 1,-0.3 -1,-0.3 2,-0.1 4,-0.2 0.500 103.7 57.8 -78.0 2.8 6.1 6.1 57.1 65 208 A L G <> S+ 0 0 29 -3,-1.7 4,-2.7 -6,-0.2 -1,-0.3 0.515 78.3 92.4-102.4 -6.4 6.5 8.9 59.7 66 209 A A H <> S+ 0 0 13 -3,-1.4 4,-2.6 -4,-0.4 5,-0.2 0.893 85.0 49.1 -56.9 -46.9 3.5 7.9 61.9 67 210 A D H > S+ 0 0 116 -4,-0.3 4,-2.9 2,-0.2 -1,-0.2 0.909 113.7 46.3 -60.1 -43.9 5.5 5.7 64.3 68 211 A T H > S+ 0 0 5 -4,-0.2 4,-1.4 2,-0.2 -2,-0.2 0.924 112.1 51.3 -65.9 -44.7 8.2 8.4 64.8 69 212 A I H <>S+ 0 0 0 -4,-2.7 5,-1.9 1,-0.2 6,-0.4 0.944 116.7 39.6 -53.5 -51.2 5.5 11.1 65.3 70 213 A L H ><5S+ 0 0 6 -4,-2.6 3,-1.3 1,-0.2 -2,-0.2 0.908 112.5 55.1 -71.6 -40.8 3.7 9.1 67.9 71 214 A D H 3<5S+ 0 0 112 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.754 110.5 46.6 -63.2 -26.2 6.8 7.7 69.6 72 215 A N T 3<5S- 0 0 27 -4,-1.4 -1,-0.2 -3,-0.3 -2,-0.2 0.233 110.2-115.6-108.7 14.2 8.2 11.2 70.2 73 216 A N T X 5 + 0 0 10 -3,-1.3 3,-1.2 -4,-0.1 4,-0.5 0.844 58.5 152.7 59.9 37.0 5.0 12.9 71.5 74 217 A L T >>< + 0 0 0 -5,-1.9 4,-1.6 1,-0.2 3,-1.2 0.790 65.1 73.9 -62.4 -27.1 4.6 15.3 68.7 75 218 A L H 3> S+ 0 0 3 -6,-0.4 4,-2.1 1,-0.3 -1,-0.2 0.737 84.2 65.9 -60.6 -22.4 0.8 15.2 69.5 76 219 A Q H <> S+ 0 0 59 -3,-1.2 4,-1.7 2,-0.2 -1,-0.3 0.890 102.8 45.8 -65.1 -37.2 1.7 17.3 72.6 77 220 A S H <> S+ 0 0 0 -3,-1.2 4,-2.1 -4,-0.5 -2,-0.2 0.866 109.2 55.6 -70.2 -39.1 2.6 20.2 70.2 78 221 A V H X S+ 0 0 1 -4,-1.6 4,-1.4 2,-0.2 -2,-0.2 0.903 106.2 51.5 -56.5 -42.9 -0.5 19.5 68.2 79 222 A R H X S+ 0 0 57 -4,-2.1 4,-0.8 1,-0.2 3,-0.4 0.925 109.0 50.0 -60.4 -46.3 -2.5 20.0 71.4 80 223 A I H >< S+ 0 0 42 -4,-1.7 3,-0.7 1,-0.2 -1,-0.2 0.863 107.2 54.7 -62.0 -38.1 -0.8 23.3 72.1 81 224 A W H 3< S+ 0 0 1 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.817 108.5 49.5 -66.0 -30.0 -1.6 24.5 68.5 82 225 A L H 3< S+ 0 0 0 -4,-1.4 -1,-0.2 -3,-0.4 -2,-0.2 0.601 88.0 110.6 -84.3 -11.6 -5.3 23.8 69.1 83 226 A E S << S- 0 0 69 -4,-0.8 -3,-0.0 -3,-0.7 38,-0.0 -0.287 78.3 -97.3 -70.5 146.4 -5.5 25.6 72.4 84 227 A P - 0 0 54 0, 0.0 6,-0.2 0, 0.0 -1,-0.1 -0.266 43.0-122.2 -57.6 149.3 -7.5 28.9 72.8 85 228 A L > - 0 0 25 4,-2.8 3,-1.9 -3,-0.1 -55,-0.1 -0.464 20.0-104.8-100.3 163.7 -5.4 32.1 72.5 86 229 A P T 3 S+ 0 0 53 0, 0.0 -1,-0.1 0, 0.0 -56,-0.1 0.726 117.3 57.3 -62.0 -24.8 -4.9 35.0 75.0 87 230 A D T 3 S- 0 0 80 2,-0.1 3,-0.1 1,-0.0 -57,-0.0 0.294 122.9-101.5 -88.5 9.0 -7.2 37.3 73.0 88 231 A G S < S+ 0 0 39 -3,-1.9 2,-0.1 1,-0.3 -1,-0.0 0.456 83.9 122.5 88.2 1.9 -10.1 34.9 73.2 89 232 A S - 0 0 41 -5,-0.0 -4,-2.8 1,-0.0 -1,-0.3 -0.413 56.8-130.1 -90.3 167.3 -9.7 33.5 69.6 90 233 A L - 0 0 23 -6,-0.2 3,-0.1 1,-0.1 -7,-0.1 -0.761 42.4 -87.7-100.7 160.7 -9.1 30.0 68.4 91 234 A P - 0 0 5 0, 0.0 -1,-0.1 0, 0.0 5,-0.1 -0.250 68.9 -67.5 -60.5 164.4 -6.3 29.2 65.9 92 235 A S > - 0 0 38 1,-0.1 4,-2.5 3,-0.1 3,-0.3 -0.013 41.6-112.3 -57.5 157.6 -7.3 29.6 62.3 93 236 A F H > S+ 0 0 70 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.866 118.4 55.2 -53.2 -40.7 -9.9 27.4 60.5 94 237 A E H > S+ 0 0 115 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.870 107.5 48.2 -66.7 -39.8 -7.1 26.0 58.4 95 238 A I H > S+ 0 0 2 -3,-0.3 4,-2.4 2,-0.2 5,-0.2 0.963 114.4 46.3 -62.8 -51.4 -5.0 25.0 61.4 96 239 A Q H X S+ 0 0 13 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.930 116.6 43.2 -56.0 -49.7 -8.0 23.3 63.1 97 240 A K H X S+ 0 0 98 -4,-2.9 4,-2.3 1,-0.2 -1,-0.2 0.892 113.9 49.9 -69.8 -41.9 -9.1 21.5 60.0 98 241 A S H X S+ 0 0 39 -4,-2.3 4,-1.6 -5,-0.2 -1,-0.2 0.890 113.6 46.4 -62.1 -42.8 -5.7 20.4 58.9 99 242 A L H X S+ 0 0 1 -4,-2.4 4,-2.4 -5,-0.2 -2,-0.2 0.934 112.9 47.9 -68.9 -44.7 -4.9 19.0 62.4 100 243 A F H X S+ 0 0 2 -4,-2.5 4,-2.0 -5,-0.2 -2,-0.2 0.903 111.8 50.3 -62.8 -41.1 -8.2 17.2 62.8 101 244 A A H X S+ 0 0 51 -4,-2.3 4,-0.9 1,-0.2 -1,-0.2 0.880 112.3 47.6 -62.9 -38.2 -7.9 15.6 59.4 102 245 A A H X S+ 0 0 11 -4,-1.6 4,-0.7 1,-0.2 3,-0.5 0.888 109.4 53.3 -70.4 -38.0 -4.3 14.5 60.2 103 246 A L H >< S+ 0 0 4 -4,-2.4 3,-0.6 1,-0.2 5,-0.4 0.865 103.3 58.0 -65.3 -35.6 -5.5 13.1 63.6 104 247 A N H 3< S+ 0 0 68 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.804 110.6 42.5 -64.0 -30.4 -8.1 11.0 61.8 105 248 A D H 3< S+ 0 0 132 -4,-0.9 -1,-0.2 -3,-0.5 -2,-0.2 0.502 95.8 91.3 -96.2 -5.2 -5.5 9.3 59.7 106 249 A L S << S- 0 0 15 -4,-0.7 2,-2.4 -3,-0.6 -43,-0.0 -0.729 82.5-123.5 -90.1 140.5 -2.9 8.7 62.5 107 250 A P - 0 0 68 0, 0.0 2,-0.2 0, 0.0 -3,-0.1 -0.415 42.6-175.0 -80.6 68.6 -3.1 5.4 64.4 108 251 A V - 0 0 21 -2,-2.4 2,-0.2 -5,-0.4 -5,-0.0 -0.453 3.5-162.1 -71.9 132.1 -3.4 7.3 67.7 109 252 A K >> - 0 0 119 -2,-0.2 4,-1.8 1,-0.1 3,-0.5 -0.666 32.6-103.7-112.0 167.1 -3.4 5.1 70.8 110 253 A T H 3> S+ 0 0 61 1,-0.2 4,-2.4 -2,-0.2 5,-0.2 0.877 120.0 54.8 -55.8 -42.4 -4.5 5.6 74.4 111 254 A E H 3> S+ 0 0 130 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.863 106.0 53.0 -62.0 -34.0 -0.9 5.9 75.6 112 255 A H H <> S+ 0 0 13 -3,-0.5 4,-1.5 1,-0.2 6,-0.3 0.890 110.2 47.4 -69.1 -39.0 -0.3 8.7 73.1 113 256 A L H X S+ 0 0 26 -4,-1.8 4,-2.0 2,-0.2 5,-0.4 0.881 110.9 51.8 -66.4 -39.5 -3.4 10.6 74.4 114 257 A K H < S+ 0 0 169 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.930 114.0 43.1 -63.1 -44.8 -2.3 10.1 78.0 115 258 A E H < S+ 0 0 113 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.773 121.2 39.3 -73.2 -27.1 1.2 11.5 77.2 116 259 A S H < S- 0 0 1 -4,-1.5 -2,-0.2 -5,-0.2 -1,-0.2 0.695 87.8-137.2 -98.9 -23.1 0.0 14.4 75.1 117 260 A G >X + 0 0 21 -4,-2.0 4,-0.9 -5,-0.1 3,-0.7 0.606 60.4 136.4 71.1 12.0 -3.1 15.7 76.8 118 261 A L H 3> + 0 0 0 -5,-0.4 4,-2.1 -6,-0.3 3,-0.4 0.852 58.6 61.2 -63.8 -37.0 -4.6 15.9 73.3 119 262 A G H 3> S+ 0 0 21 -6,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.865 97.4 60.2 -57.9 -36.8 -8.0 14.4 74.3 120 263 A R H <> S+ 0 0 219 -3,-0.7 4,-1.2 -7,-0.2 -1,-0.2 0.902 109.5 40.1 -61.3 -41.7 -8.6 17.3 76.7 121 264 A V H X S+ 0 0 10 -4,-0.9 4,-1.3 -3,-0.4 -1,-0.2 0.889 112.7 55.1 -76.3 -36.7 -8.5 20.0 74.0 122 265 A V H X S+ 0 0 0 -4,-2.1 4,-0.8 1,-0.2 -2,-0.2 0.876 105.6 52.4 -63.2 -37.6 -10.4 17.9 71.4 123 266 A I H >X S+ 0 0 68 -4,-2.2 3,-0.9 1,-0.2 4,-0.6 0.887 103.5 58.4 -65.6 -36.7 -13.3 17.5 73.9 124 267 A F H >X S+ 0 0 60 -4,-1.2 4,-2.6 1,-0.2 3,-1.0 0.872 100.8 58.1 -57.0 -35.5 -13.3 21.3 74.3 125 268 A Y H 3< S+ 0 0 0 -4,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.748 96.9 59.6 -68.8 -25.0 -13.9 21.5 70.5 126 269 A T H << S+ 0 0 29 -3,-0.9 -1,-0.2 -4,-0.8 -2,-0.2 0.662 119.2 28.7 -74.4 -15.3 -17.1 19.4 70.7 127 270 A K H << S+ 0 0 168 -3,-1.0 -2,-0.2 -4,-0.6 -1,-0.1 0.740 87.9 109.3-114.3 -35.1 -18.6 22.0 73.0 128 271 A S >< - 0 0 19 -4,-2.6 3,-1.0 1,-0.2 8,-0.1 -0.170 56.3-147.6 -56.7 135.4 -17.1 25.5 72.3 129 272 A K T 3 S+ 0 0 209 1,-0.2 -1,-0.2 3,-0.0 4,-0.1 0.640 96.7 66.8 -75.4 -15.0 -19.4 28.0 70.6 130 273 A R T 3 S+ 0 0 125 2,-0.1 2,-0.4 -41,-0.0 -1,-0.2 0.530 84.2 93.0 -79.1 -7.0 -16.4 29.5 68.8 131 274 A V S < S- 0 0 14 -3,-1.0 2,-0.1 -6,-0.1 5,-0.0 -0.737 82.2-118.3 -93.5 133.6 -16.0 26.2 66.8 132 275 A E >> - 0 0 121 -2,-0.4 4,-2.1 1,-0.1 3,-1.0 -0.444 28.3-116.9 -63.8 142.9 -17.6 25.8 63.4 133 276 A A H 3> S+ 0 0 63 1,-0.3 4,-2.1 2,-0.2 5,-0.1 0.822 110.7 54.6 -51.5 -44.0 -20.1 23.0 63.4 134 277 A Q H 3> S+ 0 0 83 1,-0.2 4,-1.3 2,-0.2 -1,-0.3 0.828 112.2 44.7 -67.8 -27.8 -18.4 20.8 60.8 135 278 A L H <> S+ 0 0 0 -3,-1.0 4,-2.3 2,-0.2 -1,-0.2 0.824 107.7 57.2 -84.1 -32.7 -15.2 20.9 62.9 136 279 A A H X S+ 0 0 17 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.892 107.4 51.3 -58.2 -38.9 -17.1 20.2 66.1 137 280 A R H X S+ 0 0 153 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.892 107.7 49.6 -66.4 -41.9 -18.4 17.1 64.3 138 281 A L H X S+ 0 0 64 -4,-1.3 4,-2.1 1,-0.2 -1,-0.2 0.900 111.0 51.5 -61.6 -40.0 -14.8 16.0 63.4 139 282 A A H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.891 109.4 49.5 -64.0 -39.7 -13.9 16.5 67.0 140 283 A E H X S+ 0 0 103 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.874 109.1 51.6 -67.9 -39.0 -16.8 14.3 68.2 141 284 A K H X S+ 0 0 101 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.904 110.2 49.9 -64.4 -42.3 -15.9 11.6 65.8 142 285 A L H X S+ 0 0 3 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.942 110.4 49.0 -60.5 -49.3 -12.3 11.6 67.1 143 286 A I H X S+ 0 0 29 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.894 110.9 51.4 -58.0 -40.0 -13.5 11.5 70.8 144 287 A A H X S+ 0 0 57 -4,-2.1 4,-0.9 1,-0.2 -1,-0.2 0.938 112.4 44.5 -66.9 -47.1 -15.8 8.5 70.0 145 288 A E H < S+ 0 0 88 -4,-2.3 3,-0.4 1,-0.2 -1,-0.2 0.886 114.1 50.3 -60.7 -41.1 -13.0 6.5 68.3 146 289 A W H < S+ 0 0 28 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.821 115.4 41.5 -71.2 -29.8 -10.5 7.3 71.0 147 290 A T H >X S+ 0 0 54 -4,-1.9 4,-2.5 -5,-0.2 3,-1.1 0.555 89.8 92.2 -92.2 -7.7 -12.9 6.3 73.9 148 291 A R H 3X S+ 0 0 177 -4,-0.9 4,-2.3 -3,-0.4 -1,-0.2 0.848 78.0 59.3 -60.2 -39.5 -14.2 3.2 72.1 149 292 A P H 34 S+ 0 0 100 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.815 117.3 33.3 -56.8 -32.6 -11.7 0.8 73.6 150 293 A I H <4 S+ 0 0 132 -3,-1.1 -2,-0.2 -4,-0.2 -3,-0.1 0.856 136.7 17.3 -88.2 -41.4 -12.9 1.7 77.1 151 294 A I H < 0 0 132 -4,-2.5 -3,-0.2 1,-0.2 -4,-0.1 0.543 360.0 360.0-119.8 -12.5 -16.6 2.3 76.6 152 295 A G < 0 0 74 -4,-2.3 -1,-0.2 -5,-0.4 -2,-0.1 -0.187 360.0 360.0 86.0 360.0 -17.6 0.8 73.3