==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER NUCLEAR RECEPTOR 04-FEB-98 4LBD . COMPND 2 MOLECULE: RETINOIC ACID RECEPTOR GAMMA; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR B.P.KLAHOLZ,J.-P.RENAUD,A.MITSCHLER,D.MORAS,STRUCTURAL . 237 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11692.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 181 76.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 7 3.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 6 2.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 13.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 130 54.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.3 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 2 0 1 0 0 1 0 0 0 0 0 1 0 0 1 1 1 0 0 0 0 0 1 0 RESIDUES PER ALPHA HELIX . 1 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 1 1 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 1 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 1 182 A L > 0 0 167 0, 0.0 4,-0.7 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0 156.5 36.9 3.3 120.8 2 183 A S H >> + 0 0 84 1,-0.2 4,-2.5 2,-0.2 3,-0.7 0.854 360.0 63.7 -70.9 -39.5 33.9 3.0 118.4 3 184 A P H 3> S+ 0 0 72 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.779 100.8 54.1 -58.3 -25.5 32.7 6.7 118.9 4 185 A Q H 3> S+ 0 0 49 -3,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.802 108.3 47.9 -76.8 -31.9 36.0 7.8 117.4 5 186 A L H X S+ 0 0 3 -4,-1.7 4,-1.4 -3,-0.3 3,-0.7 0.921 111.4 51.7 -77.6 -49.8 33.8 14.8 100.6 17 198 A Q H 3< S+ 0 0 79 -4,-2.4 -2,-0.2 1,-0.3 -3,-0.2 0.775 111.4 50.2 -58.2 -28.3 30.2 16.2 100.3 18 199 A E H 3< S+ 0 0 100 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.706 118.4 35.6 -85.3 -21.2 31.6 19.7 100.7 19 200 A T H << S+ 0 0 2 -3,-0.7 -2,-0.2 -4,-0.6 -1,-0.2 0.418 125.1 41.8-109.3 -2.7 34.4 19.4 98.1 20 201 A F S < S- 0 0 8 -4,-1.4 -1,-0.2 39,-0.0 2,-0.1 -0.740 75.8-150.0-148.5 98.3 32.3 17.2 95.8 21 202 A P - 0 0 35 0, 0.0 -3,-0.1 0, 0.0 5,-0.1 -0.407 29.9-108.2 -69.0 139.6 28.6 18.0 95.1 22 203 A S > - 0 0 9 -5,-0.2 3,-0.7 -2,-0.1 4,-0.2 -0.243 19.6-117.5 -67.3 155.2 26.5 15.0 94.2 23 204 A L G > S+ 0 0 42 73,-0.3 3,-2.1 1,-0.2 5,-0.1 0.960 113.8 51.2 -55.8 -53.3 25.1 14.3 90.7 24 205 A C G 3 S+ 0 0 129 1,-0.3 -1,-0.2 3,-0.1 -2,-0.0 0.674 108.6 51.1 -61.8 -19.8 21.5 14.6 91.9 25 206 A Q G < S+ 0 0 122 -3,-0.7 2,-0.3 2,-0.1 -1,-0.3 0.300 92.7 106.1 -99.7 10.4 22.1 18.0 93.6 26 207 A L S < S- 0 0 30 -3,-2.1 2,-1.5 -4,-0.2 83,-0.1 -0.686 73.1-127.2 -98.9 144.6 23.8 19.5 90.5 27 208 A G - 0 0 59 -2,-0.3 2,-0.1 81,-0.2 -3,-0.1 -0.667 37.0-154.8 -86.3 88.2 22.4 22.0 88.0 28 209 A K + 0 0 94 -2,-1.5 2,-0.3 -5,-0.1 83,-0.2 -0.400 22.0 164.3 -70.3 137.1 23.1 20.1 84.8 29 210 A Y B -a 111 0A 94 81,-2.4 83,-2.7 -2,-0.1 2,-0.2 -0.939 19.4-140.3-144.6 163.8 23.5 22.0 81.6 30 211 A T - 0 0 106 -2,-0.3 2,-0.3 81,-0.2 83,-0.1 -0.614 1.9-144.9-124.9 179.0 24.9 21.2 78.1 31 212 A T - 0 0 39 81,-0.3 86,-0.1 -2,-0.2 14,-0.0 -0.972 14.5-141.5-139.5 153.4 27.0 22.6 75.2 32 213 A N > + 0 0 147 -2,-0.3 3,-0.8 2,-0.1 4,-0.2 0.378 57.7 129.5 -99.6 8.7 26.7 22.1 71.5 33 214 A S T 3 S- 0 0 39 1,-0.2 -2,-0.1 2,-0.1 87,-0.1 -0.402 86.6 -27.0 -67.6 130.6 30.4 21.9 70.8 34 215 A S T 3 S+ 0 0 38 1,-0.2 -1,-0.2 -2,-0.1 86,-0.2 0.676 87.0 138.5 32.4 46.6 31.5 18.9 68.8 35 216 A A < + 0 0 37 -3,-0.8 81,-0.2 1,-0.1 -1,-0.2 0.676 56.6 71.8 -86.0 -17.9 28.6 16.7 69.9 36 217 A D S S- 0 0 149 -4,-0.2 2,-0.3 1,-0.2 -1,-0.1 0.950 109.1 -20.5 -63.1 -65.1 28.1 15.3 66.3 37 218 A H S S- 0 0 113 79,-0.1 2,-0.2 80,-0.0 -1,-0.2 -0.941 77.1 -75.4-146.6 169.7 31.1 12.9 65.8 38 219 A R + 0 0 95 -2,-0.3 2,-0.3 -3,-0.1 79,-0.1 -0.488 46.2 168.9 -75.6 134.3 34.6 12.2 67.1 39 220 A V - 0 0 51 -2,-0.2 3,-0.2 77,-0.2 85,-0.1 -0.844 47.5 -99.8-133.9 166.2 37.5 14.5 66.2 40 221 A Q S S- 0 0 132 -2,-0.3 2,-0.3 1,-0.2 84,-0.2 0.947 96.0 -17.6 -55.0 -51.9 41.1 14.8 67.5 41 222 A L - 0 0 30 80,-0.1 2,-0.8 82,-0.1 -1,-0.2 -0.879 45.5-152.1-163.8 125.7 40.5 17.7 69.8 42 223 A D > - 0 0 29 78,-3.2 4,-1.9 -2,-0.3 5,-0.1 -0.890 18.6-161.0 -97.4 115.5 37.9 20.5 70.3 43 224 A L H > S+ 0 0 76 -2,-0.8 4,-1.2 2,-0.2 -1,-0.1 0.738 87.0 53.0 -69.6 -28.4 39.9 23.3 71.8 44 225 A G H > S+ 0 0 45 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.882 111.8 48.3 -73.1 -34.9 37.0 25.3 73.3 45 226 A L H > S+ 0 0 7 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.880 109.9 51.9 -71.5 -38.1 35.9 22.1 75.0 46 227 A W H X S+ 0 0 16 -4,-1.9 4,-2.5 74,-0.3 5,-0.2 0.776 106.4 54.0 -70.3 -30.0 39.5 21.4 76.3 47 228 A D H X S+ 0 0 97 -4,-1.2 4,-2.3 2,-0.2 -2,-0.2 0.961 112.2 43.4 -68.9 -45.5 39.7 24.9 77.8 48 229 A K H X S+ 0 0 52 -4,-1.8 4,-1.7 1,-0.2 -2,-0.2 0.872 115.7 50.5 -67.3 -33.2 36.5 24.4 79.7 49 230 A F H X S+ 0 0 34 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.912 110.5 45.7 -70.5 -46.0 37.7 20.9 80.7 50 231 A S H X S+ 0 0 8 -4,-2.5 4,-2.9 2,-0.2 5,-0.2 0.925 110.5 56.7 -62.1 -40.6 41.1 21.8 82.0 51 232 A E H X S+ 0 0 85 -4,-2.3 4,-1.6 1,-0.2 -2,-0.2 0.915 111.4 42.4 -54.3 -47.4 39.5 24.7 83.8 52 233 A L H X S+ 0 0 13 -4,-1.7 4,-2.0 2,-0.2 -1,-0.2 0.869 111.7 54.1 -68.9 -38.9 37.2 22.2 85.6 53 234 A A H X S+ 0 0 17 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.920 108.4 50.1 -63.6 -42.1 40.0 19.7 86.2 54 235 A T H X S+ 0 0 26 -4,-2.9 4,-1.6 1,-0.2 -1,-0.2 0.902 109.2 51.9 -62.4 -42.2 42.1 22.4 87.9 55 236 A K H X S+ 0 0 122 -4,-1.6 4,-1.7 -5,-0.2 -1,-0.2 0.869 109.2 50.6 -62.9 -35.9 39.1 23.3 90.1 56 237 A C H X S+ 0 0 22 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.898 104.4 56.7 -69.7 -39.0 38.7 19.7 91.1 57 238 A I H X S+ 0 0 13 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.901 107.8 48.9 -60.2 -38.2 42.4 19.4 92.0 58 239 A I H X S+ 0 0 87 -4,-1.6 4,-2.6 1,-0.2 -1,-0.2 0.901 110.7 50.6 -67.3 -38.6 41.9 22.3 94.4 59 240 A K H X S+ 0 0 75 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.850 108.8 52.4 -68.3 -30.9 38.9 20.6 95.9 60 241 A I H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.953 110.7 45.9 -69.7 -44.0 40.8 17.4 96.3 61 242 A V H X S+ 0 0 49 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.929 111.8 53.4 -62.5 -43.1 43.6 19.2 98.2 62 243 A E H X S+ 0 0 70 -4,-2.6 4,-0.8 1,-0.2 -1,-0.2 0.926 111.0 45.9 -56.3 -47.1 40.8 20.9 100.2 63 244 A F H >< S+ 0 0 0 -4,-2.4 3,-0.7 1,-0.2 4,-0.5 0.878 109.1 55.0 -64.0 -43.3 39.3 17.5 101.1 64 245 A A H >< S+ 0 0 0 -4,-2.7 3,-0.9 1,-0.2 -1,-0.2 0.854 103.5 55.8 -61.1 -36.3 42.7 16.0 102.0 65 246 A K H 3< S+ 0 0 100 -4,-2.0 6,-0.3 1,-0.2 -1,-0.2 0.783 105.4 52.2 -69.0 -24.4 43.3 18.8 104.5 66 247 A R T << S+ 0 0 96 -4,-0.8 -1,-0.2 -3,-0.7 -2,-0.2 0.466 84.1 102.8 -88.2 -8.6 40.1 17.9 106.3 67 248 A L S X> S- 0 0 6 -3,-0.9 3,-1.3 -4,-0.5 4,-0.5 -0.690 89.4-101.9 -77.5 125.5 41.0 14.3 106.6 68 249 A P T 34 S+ 0 0 55 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.283 100.9 8.8 -53.6 120.4 42.1 13.7 110.2 69 250 A G T >> S+ 0 0 31 -4,-0.2 3,-1.2 -2,-0.1 4,-0.6 -0.036 94.0 104.8 103.4 -30.5 45.9 13.5 110.5 70 251 A F G X4 S+ 0 0 0 -3,-1.3 3,-1.5 1,-0.3 -5,-0.1 0.904 81.9 51.4 -50.4 -47.8 46.9 14.6 107.0 71 252 A T G 3< S+ 0 0 87 -4,-0.5 -1,-0.3 -6,-0.3 7,-0.1 0.745 102.4 60.6 -64.7 -24.2 47.9 18.1 108.2 72 253 A G G <4 S+ 0 0 60 -3,-1.2 -1,-0.3 2,-0.1 -2,-0.2 0.590 87.9 92.9 -77.2 -16.3 50.1 16.5 110.9 73 254 A L S << S- 0 0 5 -3,-1.5 -4,-0.0 -4,-0.6 5,-0.0 -0.388 97.6 -84.2 -70.1 158.1 52.2 14.8 108.2 74 255 A S > - 0 0 27 1,-0.2 4,-2.5 -2,-0.1 3,-0.5 -0.322 36.3-118.2 -64.3 152.9 55.3 16.7 106.9 75 256 A I H > S+ 0 0 114 1,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.803 117.1 57.2 -63.6 -23.9 54.5 19.2 104.2 76 257 A A H > S+ 0 0 31 2,-0.2 4,-2.2 1,-0.2 -1,-0.3 0.871 108.4 45.5 -72.2 -39.2 56.7 17.1 101.9 77 258 A D H > S+ 0 0 0 -3,-0.5 4,-2.9 2,-0.2 5,-0.3 0.883 108.4 56.1 -68.5 -43.3 54.5 14.0 102.5 78 259 A Q H X S+ 0 0 17 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.932 112.2 42.5 -55.9 -43.9 51.3 15.9 102.1 79 260 A I H X S+ 0 0 78 -4,-1.7 4,-3.3 1,-0.2 -2,-0.2 0.944 113.0 53.1 -68.2 -45.0 52.5 17.1 98.7 80 261 A T H X S+ 0 0 28 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.869 110.3 47.3 -57.6 -41.5 53.9 13.6 97.8 81 262 A L H X S+ 0 0 0 -4,-2.9 4,-2.2 2,-0.2 -1,-0.2 0.903 114.6 45.7 -67.8 -45.5 50.5 11.9 98.6 82 263 A L H X S+ 0 0 24 -4,-2.0 4,-2.0 -5,-0.3 -2,-0.2 0.972 111.5 53.2 -62.7 -48.3 48.5 14.5 96.7 83 264 A K H < S+ 0 0 38 -4,-3.3 4,-0.4 1,-0.2 3,-0.3 0.900 115.0 40.3 -51.0 -51.5 50.9 14.2 93.7 84 265 A A H < S+ 0 0 13 -4,-2.2 4,-0.3 1,-0.2 -1,-0.2 0.814 124.7 33.8 -71.6 -32.1 50.6 10.5 93.6 85 266 A A H X S+ 0 0 0 -4,-2.2 4,-2.3 -5,-0.1 5,-0.2 0.412 89.4 92.9-109.2 3.0 46.9 10.1 94.2 86 267 A C H X S+ 0 0 4 -4,-2.0 4,-2.5 -3,-0.3 -1,-0.1 0.929 88.6 45.0 -65.0 -46.2 45.3 13.1 92.6 87 268 A L H > S+ 0 0 29 -4,-0.4 4,-2.9 2,-0.2 -1,-0.2 0.899 111.5 56.4 -66.0 -36.3 44.6 11.6 89.2 88 269 A D H > S+ 0 0 8 -4,-0.3 4,-2.3 2,-0.2 -2,-0.2 0.951 111.2 41.1 -57.8 -50.4 43.2 8.5 90.9 89 270 A I H X S+ 0 0 1 -4,-2.3 4,-3.0 1,-0.2 -1,-0.2 0.907 112.9 56.2 -64.2 -40.0 40.7 10.6 92.9 90 271 A L H X S+ 0 0 23 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.895 109.8 45.5 -57.3 -44.8 40.0 12.6 89.8 91 272 A M H X S+ 0 0 14 -4,-2.9 4,-1.5 2,-0.2 -1,-0.2 0.883 113.2 48.7 -68.1 -42.0 39.1 9.5 87.9 92 273 A L H X S+ 0 0 2 -4,-2.3 4,-1.4 -5,-0.2 -2,-0.2 0.899 110.4 54.5 -66.8 -36.1 37.0 8.1 90.7 93 274 A R H >< S+ 0 0 2 -4,-3.0 3,-0.6 1,-0.2 4,-0.3 0.949 109.2 42.3 -63.1 -53.8 35.2 11.5 90.9 94 275 A I H >< S+ 0 0 17 -4,-2.0 3,-0.9 1,-0.2 12,-0.2 0.816 111.4 59.2 -66.3 -26.4 34.1 11.9 87.3 95 276 A C H >< S+ 0 0 5 -4,-1.5 3,-1.1 1,-0.3 -1,-0.2 0.830 98.4 55.4 -73.5 -27.6 33.1 8.2 87.3 96 277 A T T << S+ 0 0 45 -4,-1.4 -73,-0.3 -3,-0.6 -1,-0.3 0.544 100.9 64.9 -78.8 -3.7 30.6 8.6 90.2 97 278 A R T < S+ 0 0 4 -3,-0.9 9,-2.0 -4,-0.3 2,-0.4 0.044 75.1 125.7-102.8 20.0 29.1 11.3 87.9 98 279 A Y E < -B 105 0B 30 -3,-1.1 7,-0.2 7,-0.2 3,-0.1 -0.667 44.1-163.6 -86.4 132.1 28.0 8.9 85.2 99 280 A T E >> -B 104 0B 25 5,-1.9 4,-1.8 -2,-0.4 5,-1.3 -0.929 6.4-162.5-114.2 97.4 24.4 8.9 84.1 100 281 A P T 45S+ 0 0 70 0, 0.0 -1,-0.1 0, 0.0 35,-0.0 0.825 82.9 54.6 -51.7 -37.6 24.1 5.5 82.3 101 282 A E T 45S+ 0 0 167 1,-0.2 -2,-0.0 -3,-0.1 -3,-0.0 0.957 118.0 32.4 -65.6 -49.7 20.8 6.4 80.4 102 283 A Q T 45S- 0 0 119 -3,-0.1 -1,-0.2 2,-0.1 3,-0.1 0.686 102.6-134.5 -79.9 -15.9 22.0 9.6 78.8 103 284 A D T <5 + 0 0 45 -4,-1.8 12,-1.1 1,-0.2 2,-0.3 0.976 62.2 124.0 58.5 55.7 25.6 8.2 78.5 104 285 A T E < -BC 99 114B 13 -5,-1.3 -5,-1.9 10,-0.2 2,-0.4 -0.832 56.3-136.3-134.4 175.3 27.1 11.3 79.8 105 286 A M E -BC 98 113B 0 8,-1.8 8,-2.2 -2,-0.3 2,-0.4 -0.993 20.2-143.0-138.6 128.5 29.4 12.5 82.6 106 287 A T E - C 0 112B 0 -9,-2.0 6,-0.2 -2,-0.4 2,-0.1 -0.806 7.8-150.5-100.9 135.4 28.7 15.6 84.7 107 288 A F > - 0 0 15 4,-3.2 3,-1.8 -2,-0.4 -54,-0.0 -0.418 34.9 -94.3 -95.1 171.1 31.2 18.1 86.0 108 289 A S T 3 S+ 0 0 48 1,-0.3 -81,-0.2 2,-0.2 -1,-0.1 0.597 122.0 50.2 -63.8 -16.3 31.0 20.2 89.2 109 290 A D T 3 S- 0 0 62 2,-0.1 -1,-0.3 -83,-0.1 -82,-0.0 0.458 127.3 -96.7 -96.5 -2.1 29.6 23.4 87.6 110 291 A G S < S+ 0 0 0 -3,-1.8 -81,-2.4 1,-0.3 -2,-0.2 0.319 70.6 153.8 106.0 -8.0 26.9 21.2 86.0 111 292 A L B -a 29 0A 6 -83,-0.2 -4,-3.2 -5,-0.1 2,-0.6 -0.382 26.5-163.0 -56.9 121.3 28.6 20.7 82.5 112 293 A T E -C 106 0B 10 -83,-2.7 2,-0.4 -6,-0.2 -81,-0.3 -0.915 6.9-169.6-114.7 105.6 27.1 17.5 81.3 113 294 A L E -C 105 0B 1 -8,-2.2 -8,-1.8 -2,-0.6 2,-0.1 -0.802 14.3-138.8 -99.8 133.5 29.2 16.0 78.4 114 295 A N E > -C 104 0B 46 -2,-0.4 4,-2.0 -10,-0.2 3,-0.2 -0.318 40.8 -92.6 -77.4 170.3 28.1 13.1 76.2 115 296 A R H > S+ 0 0 61 -12,-1.1 4,-2.1 1,-0.2 5,-0.2 0.878 125.7 53.8 -54.5 -42.4 30.7 10.5 75.2 116 297 A T H > S+ 0 0 31 1,-0.2 4,-2.5 2,-0.2 -77,-0.2 0.942 110.5 46.8 -59.5 -44.1 31.6 12.2 72.0 117 298 A Q H > S+ 0 0 5 -3,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.853 108.7 53.8 -66.8 -36.5 32.3 15.5 73.8 118 299 A M H X>S+ 0 0 0 -4,-2.0 5,-1.8 2,-0.2 4,-0.6 0.906 111.4 48.3 -63.0 -40.4 34.4 13.9 76.5 119 300 A H H ><>S+ 0 0 25 -4,-2.1 5,-2.0 1,-0.2 3,-1.0 0.937 115.1 42.9 -63.3 -51.3 36.5 12.4 73.7 120 301 A N H 3<5S+ 0 0 0 -4,-2.5 -78,-3.2 1,-0.2 -74,-0.3 0.659 105.3 65.4 -70.6 -20.4 36.8 15.7 71.9 121 302 A A H 3<5S- 0 0 0 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.687 134.6 -73.6 -75.0 -20.3 37.4 17.5 75.2 122 303 A G T <<5S+ 0 0 2 -3,-1.0 -3,-0.2 -4,-0.6 -2,-0.1 0.080 106.9 105.1 152.9 -28.7 40.7 15.7 75.7 123 304 A F T > < + 0 0 18 -5,-1.8 3,-2.2 1,-0.2 4,-0.3 0.703 49.5 162.6 -52.5 -28.1 39.9 12.1 76.7 124 305 A G G > < - 0 0 1 -5,-2.0 3,-1.6 1,-0.3 4,-0.3 -0.025 67.1 -0.7 45.9-133.2 40.8 10.8 73.2 125 306 A P G 3 S+ 0 0 113 0, 0.0 -1,-0.3 0, 0.0 4,-0.3 0.570 131.7 61.7 -65.6 -4.9 41.5 7.1 72.9 126 307 A L G <> S+ 0 0 12 -3,-2.2 4,-2.2 1,-0.1 3,-0.3 0.542 75.7 94.3 -95.4 -10.5 40.9 6.6 76.6 127 308 A T H <> S+ 0 0 0 -3,-1.6 4,-2.6 -4,-0.3 5,-0.2 0.896 84.3 47.7 -45.8 -56.3 37.3 7.8 76.5 128 309 A D H > S+ 0 0 71 -4,-0.3 4,-1.6 1,-0.2 -1,-0.2 0.842 111.1 50.3 -61.8 -34.6 35.7 4.4 76.2 129 310 A L H > S+ 0 0 81 -3,-0.3 4,-2.0 -4,-0.3 -1,-0.2 0.902 109.9 50.3 -68.8 -44.2 37.8 2.8 79.0 130 311 A V H >X S+ 0 0 1 -4,-2.2 4,-2.3 1,-0.2 3,-0.8 0.985 112.8 47.5 -57.1 -51.4 36.9 5.6 81.4 131 312 A F H 3X S+ 0 0 2 -4,-2.6 4,-1.7 1,-0.3 -1,-0.2 0.779 112.2 49.0 -60.0 -32.4 33.2 5.1 80.5 132 313 A A H 3X S+ 0 0 49 -4,-1.6 4,-2.1 2,-0.2 -1,-0.3 0.750 109.2 53.0 -79.2 -25.5 33.5 1.4 80.9 133 314 A F H << S+ 0 0 22 -4,-2.0 4,-0.3 -3,-0.8 -2,-0.2 0.890 110.5 47.3 -74.4 -40.1 35.2 1.9 84.3 134 315 A A H >X S+ 0 0 0 -4,-2.3 4,-1.2 2,-0.2 3,-1.0 0.881 110.4 53.4 -67.3 -38.3 32.3 4.1 85.4 135 316 A G H >< S+ 0 0 13 -4,-1.7 3,-1.9 1,-0.3 -2,-0.2 0.990 107.8 48.2 -58.6 -57.8 29.9 1.5 84.1 136 317 A Q T 3< S+ 0 0 122 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.477 105.5 61.6 -63.5 -1.8 31.4 -1.3 86.1 137 318 A L T X4 S+ 0 0 14 -3,-1.0 3,-1.3 -4,-0.3 5,-0.4 0.753 88.5 72.9 -92.0 -30.5 31.4 1.0 89.2 138 319 A L G X< S+ 0 0 76 -3,-1.9 3,-3.0 -4,-1.2 -2,-0.2 0.893 85.1 61.9 -50.4 -51.8 27.6 1.3 89.1 139 320 A P G 3 S+ 0 0 82 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.722 96.2 61.7 -49.8 -26.6 26.8 -2.3 90.4 140 321 A L G < S- 0 0 12 -3,-1.3 -2,-0.2 -4,-0.1 -3,-0.1 0.663 90.2-155.8 -74.1 -18.3 28.6 -1.5 93.6 141 322 A E < - 0 0 138 -3,-3.0 -3,-0.1 -4,-0.4 -1,-0.0 0.836 22.1-175.8 43.0 47.2 26.0 1.3 94.2 142 323 A M - 0 0 37 -5,-0.4 2,-0.2 1,-0.1 -1,-0.1 -0.264 11.1-141.7 -68.4 156.9 28.4 3.2 96.5 143 324 A D > - 0 0 40 1,-0.0 4,-2.5 -2,-0.0 3,-0.3 -0.676 31.4 -86.8-116.1 175.9 27.3 6.3 98.3 144 325 A D H > S+ 0 0 54 1,-0.2 4,-1.9 -2,-0.2 5,-0.1 0.843 125.4 46.6 -47.9 -45.0 28.8 9.7 99.2 145 326 A T H > S+ 0 0 17 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.879 112.9 49.2 -71.1 -35.5 30.4 8.5 102.4 146 327 A E H > S+ 0 0 0 -3,-0.3 4,-2.6 2,-0.2 -2,-0.2 0.866 112.0 48.5 -71.5 -35.3 31.8 5.3 100.8 147 328 A T H X S+ 0 0 6 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.863 112.6 50.0 -70.1 -36.6 33.3 7.3 97.9 148 329 A G H X S+ 0 0 0 -4,-1.9 4,-2.1 -5,-0.3 -2,-0.2 0.944 113.7 43.1 -66.4 -49.3 34.8 9.7 100.4 149 330 A L H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 5,-0.2 0.956 114.2 51.4 -61.4 -48.3 36.4 7.0 102.5 150 331 A L H X S+ 0 0 2 -4,-2.6 4,-1.8 1,-0.2 -2,-0.2 0.909 110.2 50.1 -55.8 -41.8 37.6 5.1 99.4 151 332 A S H X S+ 0 0 0 -4,-2.3 4,-1.6 1,-0.2 -1,-0.2 0.883 108.9 51.6 -65.4 -37.3 39.1 8.4 98.2 152 333 A A H X S+ 0 0 0 -4,-2.1 4,-3.5 1,-0.2 -1,-0.2 0.886 107.7 52.9 -65.7 -40.1 40.9 8.9 101.5 153 334 A I H < S+ 0 0 5 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.857 107.0 51.6 -64.8 -36.7 42.3 5.4 101.4 154 335 A C H < S+ 0 0 1 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.858 117.2 41.4 -67.7 -34.5 43.7 6.1 97.9 155 336 A L H < S+ 0 0 0 -4,-1.6 2,-2.0 1,-0.2 -2,-0.2 0.958 104.6 60.7 -76.8 -59.2 45.3 9.2 99.3 156 337 A I S < S+ 0 0 3 -4,-3.5 2,-0.5 -5,-0.1 -1,-0.2 -0.564 75.6 149.2 -75.6 88.0 46.7 8.1 102.7 157 338 A C > - 0 0 22 -2,-2.0 3,-0.9 -3,-0.1 13,-0.1 -0.979 38.2-164.8-129.6 120.8 49.0 5.5 101.2 158 339 A G T 3 S+ 0 0 7 -2,-0.5 5,-0.1 1,-0.2 -1,-0.1 0.714 81.5 74.1 -76.4 -19.1 52.2 4.4 102.8 159 340 A D T 3 S+ 0 0 124 10,-0.1 -1,-0.2 7,-0.0 2,-0.0 0.361 70.5 120.4 -77.8 6.7 53.6 2.6 99.8 160 341 A R X - 0 0 51 -3,-0.9 3,-0.5 1,-0.1 -79,-0.1 -0.327 67.3-117.0 -69.4 161.3 54.3 5.9 97.9 161 342 A M T 3 S+ 0 0 177 1,-0.2 -1,-0.1 -81,-0.1 -81,-0.0 0.930 96.2 32.6 -66.8 -63.2 57.8 6.7 96.8 162 343 A D T 3 S+ 0 0 125 -82,-0.1 -1,-0.2 -86,-0.1 2,-0.2 0.027 77.0 144.9 -94.3 33.9 59.3 9.8 98.5 163 344 A L < - 0 0 21 -3,-0.5 -86,-0.0 1,-0.2 -5,-0.0 -0.492 34.9-164.3 -72.6 135.1 57.6 9.5 101.8 164 345 A E S S+ 0 0 120 1,-0.2 -1,-0.2 -2,-0.2 3,-0.1 0.722 91.1 27.1 -86.3 -29.6 59.8 10.7 104.7 165 346 A E >> + 0 0 68 1,-0.1 4,-1.2 -91,-0.1 3,-0.6 -0.597 67.6 158.7-133.8 70.6 57.5 9.0 107.2 166 347 A P H 3> S+ 0 0 47 0, 0.0 4,-2.2 0, 0.0 3,-0.4 0.900 74.2 60.7 -61.3 -38.8 55.8 6.0 105.5 167 348 A E H 3> S+ 0 0 104 1,-0.2 4,-1.3 2,-0.2 -9,-0.1 0.808 104.0 50.2 -59.0 -31.7 55.1 4.3 108.8 168 349 A K H <> S+ 0 0 65 -3,-0.6 4,-1.4 2,-0.2 -1,-0.2 0.829 107.4 52.1 -77.1 -34.8 53.0 7.3 110.0 169 350 A V H X S+ 0 0 0 -4,-1.2 4,-2.0 -3,-0.4 -2,-0.2 0.906 106.0 55.9 -69.1 -38.4 50.9 7.4 106.8 170 351 A D H X S+ 0 0 68 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.917 106.4 50.4 -58.6 -43.5 50.1 3.7 107.3 171 352 A K H < S+ 0 0 129 -4,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.821 108.5 52.4 -63.6 -35.6 48.7 4.4 110.8 172 353 A L H X S+ 0 0 32 -4,-1.4 4,-0.6 1,-0.2 -1,-0.2 0.876 109.7 49.5 -68.0 -36.8 46.5 7.2 109.4 173 354 A Q H >X S+ 0 0 35 -4,-2.0 4,-1.6 1,-0.2 3,-1.1 0.868 93.6 77.5 -70.7 -35.0 45.2 4.8 106.8 174 355 A E H >X S+ 0 0 108 -4,-2.0 4,-1.9 1,-0.3 3,-1.0 0.873 95.3 44.2 -41.5 -58.7 44.4 2.1 109.3 175 356 A P H 3> S+ 0 0 52 0, 0.0 4,-3.3 0, 0.0 -1,-0.3 0.754 108.5 58.8 -61.9 -27.7 41.2 3.7 110.8 176 357 A L H < + 0 0 27 -4,-1.9 3,-1.3 -5,-0.3 -1,-0.3 -0.645 62.6 167.0-141.3 82.6 24.3 -3.5 103.5 189 370 A P T 3 S+ 0 0 94 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.703 75.0 70.6 -67.0 -20.5 24.8 -6.6 105.6 190 371 A S T 3 S+ 0 0 112 1,-0.2 -5,-0.1 2,-0.1 -2,-0.0 0.624 97.3 49.3 -73.6 -16.1 23.4 -8.8 102.7 191 372 A Q X + 0 0 88 -3,-1.3 3,-1.5 -6,-0.2 -1,-0.2 -0.709 59.7 171.9-128.1 83.6 26.4 -8.2 100.5 192 373 A P T 3 S+ 0 0 65 0, 0.0 3,-0.3 0, 0.0 -1,-0.1 0.549 72.3 71.2 -64.9 -12.3 29.6 -9.0 102.5 193 374 A Y T 3> S+ 0 0 162 1,-0.2 4,-1.1 2,-0.1 5,-0.1 0.372 72.1 89.9 -90.1 8.6 31.7 -8.7 99.3 194 375 A M H <> S+ 0 0 17 -3,-1.5 4,-2.1 -6,-0.2 -1,-0.2 0.947 84.4 49.5 -68.5 -46.4 31.3 -4.9 99.0 195 376 A F H > S+ 0 0 33 -3,-0.3 4,-2.4 1,-0.2 3,-0.2 0.950 114.3 42.8 -59.1 -54.6 34.3 -3.9 101.1 196 377 A P H > S+ 0 0 62 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.781 113.6 54.6 -63.6 -23.4 36.8 -6.2 99.3 197 378 A R H X S+ 0 0 133 -4,-1.1 4,-0.9 2,-0.2 -2,-0.2 0.861 108.9 49.2 -73.7 -33.4 35.2 -5.2 96.0 198 379 A M H X S+ 0 0 0 -4,-2.1 4,-0.8 -3,-0.2 3,-0.3 0.920 111.0 47.1 -72.1 -43.9 35.8 -1.5 96.9 199 380 A L H >X S+ 0 0 52 -4,-2.4 3,-1.7 1,-0.2 4,-0.6 0.955 109.2 54.4 -63.3 -46.5 39.5 -2.0 97.9 200 381 A M H >X S+ 0 0 138 -4,-2.0 4,-1.4 1,-0.3 3,-1.0 0.790 98.2 65.8 -57.6 -25.9 40.1 -4.0 94.7 201 382 A K H 3X S+ 0 0 28 -4,-0.9 4,-3.4 -3,-0.3 -1,-0.3 0.857 88.0 67.6 -64.3 -32.4 38.7 -1.0 92.8 202 383 A I H X S+ 0 0 127 -4,-2.4 4,-1.1 1,-0.3 3,-0.7 0.904 108.0 51.3 -60.1 -37.7 49.9 8.4 79.4 215 396 A R H 3X S+ 0 0 17 -4,-2.3 4,-2.6 1,-0.3 -1,-0.3 0.863 102.7 59.5 -69.3 -33.4 47.1 10.2 77.6 216 397 A A H 3X S+ 0 0 8 -4,-1.6 4,-1.5 1,-0.2 -1,-0.3 0.777 98.2 60.1 -66.6 -25.0 48.3 13.5 79.0 217 398 A I H << S+ 0 0 105 -4,-1.2 4,-0.4 -3,-0.7 -1,-0.2 0.941 110.9 39.4 -64.5 -48.1 51.7 12.9 77.2 218 399 A T H >X S+ 0 0 59 -4,-1.1 3,-2.0 1,-0.2 4,-1.3 0.936 111.0 58.4 -64.7 -50.8 50.0 12.8 73.8 219 400 A L H 3X S+ 0 0 10 -4,-2.6 4,-2.1 1,-0.3 -1,-0.2 0.808 93.8 66.9 -49.9 -39.6 47.6 15.6 74.6 220 401 A K H 3< S+ 0 0 86 -4,-1.5 -1,-0.3 1,-0.2 5,-0.2 0.777 103.3 46.5 -55.9 -30.1 50.5 18.0 75.3 221 402 A M H <4 S+ 0 0 148 -3,-2.0 -1,-0.2 -4,-0.4 -2,-0.2 0.892 111.6 50.5 -78.3 -41.8 51.3 17.7 71.6 222 403 A E H < S+ 0 0 41 -4,-1.3 -2,-0.2 2,-0.1 -1,-0.1 0.757 99.4 75.4 -68.4 -27.5 47.7 18.3 70.4 223 404 A I S < S- 0 0 12 -4,-2.1 2,-0.8 2,-0.1 4,-0.1 -0.667 79.4-128.9 -93.1 142.7 47.1 21.4 72.5 224 405 A P S S+ 0 0 99 0, 0.0 -3,-0.1 0, 0.0 -2,-0.1 -0.800 80.6 11.0 -88.1 108.7 48.5 24.8 71.7 225 406 A G S S- 0 0 47 -2,-0.8 -2,-0.1 -5,-0.2 0, 0.0 -0.104 105.0 -50.7 106.2 154.2 50.2 26.2 74.8 226 407 A P - 0 0 107 0, 0.0 -6,-0.0 0, 0.0 6,-0.0 -0.195 57.4-107.2 -64.0 148.9 51.1 24.5 78.1 227 408 A M - 0 0 11 1,-0.2 5,-0.1 -4,-0.1 -2,-0.0 -0.382 58.4 -72.9 -68.2 152.3 48.6 22.5 80.1 228 409 A P > - 0 0 31 0, 0.0 4,-2.1 0, 0.0 3,-0.2 -0.126 43.8-117.4 -49.9 147.8 47.5 24.3 83.3 229 410 A P H > S+ 0 0 97 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.762 111.5 48.0 -57.8 -35.8 50.1 24.5 86.2 230 411 A L H > S+ 0 0 65 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.802 112.0 51.1 -77.5 -30.5 48.1 22.5 88.8 231 412 A I H > S+ 0 0 11 -3,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.905 111.4 47.9 -71.1 -39.8 47.4 19.8 86.2 232 413 A R H X S+ 0 0 139 -4,-2.1 4,-1.6 2,-0.2 -2,-0.2 0.879 106.3 57.0 -69.6 -34.6 51.2 19.8 85.5 233 414 A E H < S+ 0 0 97 -4,-1.9 3,-0.3 1,-0.2 -1,-0.2 0.929 109.2 47.9 -59.4 -43.7 52.0 19.6 89.2 234 415 A M H < S+ 0 0 18 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.871 109.1 51.1 -62.7 -44.3 49.9 16.4 89.4 235 416 A L H < S+ 0 0 44 -4,-1.8 2,-1.9 1,-0.1 -1,-0.2 0.721 86.6 87.4 -69.9 -23.1 51.5 14.8 86.3 236 417 A E < 0 0 140 -4,-1.6 -1,-0.1 -3,-0.3 -4,-0.0 -0.643 360.0 360.0 -77.8 87.4 55.0 15.4 87.7 237 418 A N 0 0 149 -2,-1.9 -3,-0.0 -153,-0.1 -157,-0.0 -0.996 360.0 360.0-138.8 360.0 54.8 12.1 89.6