==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER APOPTOSIS 06-FEB-13 4J44 . COMPND 2 MOLECULE: E3 UBIQUITIN-PROTEIN LIGASE XIAP; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.M.LUKACS,C.A.JANSON . 163 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9274.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 83 50.9 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 . 17 10.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 2.5 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 . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 13.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 37 22.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.2 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 1 5 0 2 0 0 0 0 0 0 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 3 2 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 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 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 1 151 A G 0 0 82 0, 0.0 138,-0.1 0, 0.0 137,-0.0 0.000 360.0 360.0 360.0 172.1 11.8 14.2 23.4 2 152 A T + 0 0 3 136,-0.1 137,-2.0 148,-0.0 2,-0.3 0.592 360.0 43.3 -90.3 -8.8 14.3 13.5 20.7 3 153 A I - 0 0 36 135,-0.2 135,-0.1 137,-0.1 49,-0.0 -0.829 68.0-169.3-124.1 161.3 15.2 17.2 20.1 4 154 A Y - 0 0 168 -2,-0.3 2,-0.2 48,-0.1 -2,-0.0 -0.928 23.4-117.4-155.0 130.1 15.9 19.8 22.8 5 155 A P - 0 0 16 0, 0.0 47,-0.3 0, 0.0 48,-0.2 -0.443 14.9-134.8 -69.3 138.6 16.2 23.6 22.5 6 156 A R S S+ 0 0 184 46,-1.8 46,-0.2 1,-0.2 45,-0.1 0.864 103.5 28.6 -56.1 -33.8 19.5 25.1 23.4 7 157 A N > - 0 0 41 44,-3.0 3,-0.6 1,-0.1 -1,-0.2 -0.796 66.6-178.6-134.5 90.2 17.5 27.8 25.4 8 158 A P G > S+ 0 0 61 0, 0.0 3,-1.9 0, 0.0 4,-0.2 0.883 83.5 57.1 -57.0 -36.0 14.1 26.6 26.7 9 159 A A G > S+ 0 0 69 1,-0.3 3,-1.3 2,-0.2 6,-0.2 0.893 103.0 55.0 -64.8 -34.8 13.1 30.0 28.2 10 160 A M G < S+ 0 0 34 -3,-0.6 -1,-0.3 1,-0.3 41,-0.2 0.384 78.0 100.0 -84.8 10.8 13.6 31.6 24.7 11 161 A Y G < + 0 0 158 -3,-1.9 2,-0.4 40,-0.1 -1,-0.3 0.844 68.2 77.8 -55.1 -37.0 11.2 29.1 23.5 12 162 A S S <> S- 0 0 56 -3,-1.3 4,-2.0 -4,-0.2 5,-0.1 -0.648 75.1-146.5 -81.4 130.7 8.6 31.9 23.7 13 163 A E H > S+ 0 0 97 -2,-0.4 4,-2.4 1,-0.2 5,-0.1 0.855 102.4 55.5 -64.4 -36.0 8.7 34.5 20.9 14 164 A E H > S+ 0 0 105 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.894 106.1 50.0 -64.8 -39.6 7.6 37.1 23.4 15 165 A A H > S+ 0 0 26 1,-0.2 4,-1.1 2,-0.2 -2,-0.2 0.886 111.4 49.7 -64.6 -39.0 10.6 36.3 25.6 16 166 A R H < S+ 0 0 5 -4,-2.0 25,-0.5 2,-0.2 4,-0.4 0.901 109.2 52.1 -64.0 -43.7 12.8 36.6 22.5 17 167 A L H >< S+ 0 0 47 -4,-2.4 3,-1.9 1,-0.2 -2,-0.2 0.938 105.5 54.2 -60.9 -46.0 11.3 40.0 21.6 18 168 A K H >< S+ 0 0 140 -4,-2.3 3,-1.7 1,-0.3 -1,-0.2 0.813 94.1 70.9 -57.4 -30.1 11.9 41.4 25.1 19 169 A S T 3< S+ 0 0 34 -4,-1.1 3,-0.5 -3,-0.3 -1,-0.3 0.696 86.6 67.8 -62.6 -16.0 15.6 40.5 24.8 20 170 A F T X + 0 0 12 -3,-1.9 3,-2.0 -4,-0.4 -1,-0.3 0.266 61.5 115.1 -90.4 13.6 16.0 43.3 22.3 21 171 A Q T < S+ 0 0 179 -3,-1.7 -1,-0.2 1,-0.3 -2,-0.1 0.836 89.5 29.2 -46.5 -42.0 15.4 46.0 24.8 22 172 A N T 3 S+ 0 0 135 -3,-0.5 -1,-0.3 19,-0.0 -2,-0.1 0.012 82.5 149.5-115.1 26.1 18.9 47.3 24.4 23 173 A W < - 0 0 25 -3,-2.0 23,-0.1 1,-0.1 -3,-0.1 -0.334 58.2 -98.0 -51.7 134.4 19.5 46.2 20.7 24 174 A P > - 0 0 24 0, 0.0 3,-1.4 0, 0.0 -1,-0.1 -0.235 18.3-124.0 -71.4 156.2 21.9 48.9 19.3 25 175 A D T 3 S+ 0 0 172 1,-0.3 -2,-0.1 -3,-0.1 -3,-0.0 0.722 109.6 54.8 -70.4 -19.9 20.7 51.8 17.3 26 176 A Y T 3 S+ 0 0 157 2,-0.0 2,-0.7 0, 0.0 -1,-0.3 0.610 81.4 101.9 -85.1 -8.8 22.9 50.9 14.3 27 177 A A < - 0 0 14 -3,-1.4 -4,-0.0 1,-0.2 18,-0.0 -0.604 57.0-165.8 -83.7 112.8 21.5 47.4 14.0 28 178 A H + 0 0 97 -2,-0.7 -1,-0.2 32,-0.1 2,-0.1 0.787 56.0 89.0 -79.4 -26.8 19.1 47.6 11.1 29 179 A L S S- 0 0 4 1,-0.1 36,-0.1 2,-0.0 31,-0.0 -0.409 80.1-116.0 -70.8 146.3 17.1 44.4 11.4 30 180 A T > - 0 0 75 1,-0.1 4,-2.6 -2,-0.1 5,-0.2 -0.571 9.0-127.4 -81.8 143.8 14.0 44.7 13.6 31 181 A P H > S+ 0 0 38 0, 0.0 4,-2.9 0, 0.0 5,-0.3 0.893 111.5 59.9 -49.3 -38.8 13.5 42.7 16.8 32 182 A R H > S+ 0 0 178 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.943 108.4 40.9 -58.1 -50.5 10.2 41.6 15.3 33 183 A E H > S+ 0 0 47 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.917 117.4 48.2 -65.2 -44.0 11.8 39.9 12.3 34 184 A L H ><>S+ 0 0 0 -4,-2.6 5,-2.4 1,-0.2 3,-0.6 0.950 112.2 47.6 -64.5 -49.0 14.7 38.4 14.4 35 185 A A H ><5S+ 0 0 0 -4,-2.9 3,-1.7 1,-0.3 -1,-0.2 0.886 107.8 56.3 -60.7 -38.2 12.5 37.0 17.1 36 186 A S H 3<5S+ 0 0 50 -4,-1.9 -1,-0.3 -5,-0.3 -2,-0.2 0.804 103.5 55.0 -62.5 -33.0 10.1 35.5 14.5 37 187 A A T <<5S- 0 0 0 -4,-1.2 -1,-0.3 -3,-0.6 -2,-0.2 0.270 128.0 -98.3 -83.5 10.9 13.2 33.6 13.1 38 188 A G T < 5S+ 0 0 0 -3,-1.7 13,-2.2 1,-0.3 2,-0.3 0.524 81.9 133.4 91.3 2.9 13.9 32.1 16.4 39 189 A L E < -A 50 0A 0 -5,-2.4 2,-0.3 11,-0.2 -1,-0.3 -0.691 31.2-176.6-102.0 141.4 16.6 34.6 17.4 40 190 A Y E -A 49 0A 22 9,-2.5 9,-2.4 -2,-0.3 2,-0.3 -0.924 34.8 -95.2-130.4 160.8 17.2 36.5 20.6 41 191 A Y E -A 48 0A 25 -25,-0.5 7,-0.2 -2,-0.3 -20,-0.1 -0.590 19.0-160.4 -82.6 132.4 19.7 39.1 21.6 42 192 A T - 0 0 38 5,-2.2 -1,-0.1 -2,-0.3 6,-0.1 0.550 43.1-116.0 -83.3 -9.3 22.9 38.0 23.4 43 193 A G S S+ 0 0 53 4,-0.4 2,-0.5 1,-0.2 5,-0.1 0.464 84.5 104.7 86.3 3.7 23.5 41.5 24.7 44 194 A I S > S- 0 0 107 3,-0.5 3,-2.4 0, 0.0 -2,-0.2 -0.978 92.2 -54.9-122.7 122.5 26.8 41.8 22.8 45 195 A G T 3 S- 0 0 36 -2,-0.5 -2,-0.1 1,-0.3 -18,-0.1 -0.203 107.2 -38.8 52.0-135.2 27.1 44.0 19.7 46 196 A D T 3 S+ 0 0 14 -23,-0.1 2,-0.4 2,-0.1 -1,-0.3 -0.063 99.5 138.6-106.4 31.1 24.5 42.9 17.1 47 197 A Q < + 0 0 22 -3,-2.4 -5,-2.2 11,-0.1 -3,-0.5 -0.629 27.5 179.4 -88.2 126.3 25.0 39.2 18.0 48 198 A V E -AB 41 57A 0 9,-2.7 9,-2.2 -2,-0.4 2,-0.3 -0.795 11.6-150.7-119.8 164.2 21.9 37.1 18.2 49 199 A Q E -AB 40 56A 25 -9,-2.4 -9,-2.5 -2,-0.3 2,-0.4 -0.987 17.5-119.0-137.7 145.0 21.4 33.4 19.0 50 200 A C E > -A 39 0A 0 5,-2.6 4,-1.2 -2,-0.3 -11,-0.2 -0.720 12.5-148.4 -83.8 130.6 18.8 30.8 18.1 51 201 A F T 4 S+ 0 0 6 -13,-2.2 -44,-3.0 -2,-0.4 -45,-0.2 0.751 95.4 42.8 -65.1 -25.1 16.8 29.3 21.0 52 202 A A T 4 S+ 0 0 4 -14,-0.3 -46,-1.8 -47,-0.3 -48,-0.1 0.959 128.7 17.2 -88.2 -65.5 16.6 26.0 19.1 53 203 A C T 4 S- 0 0 47 -48,-0.2 -2,-0.1 -47,-0.1 -1,-0.1 0.651 92.1-129.0 -88.0 -16.7 19.9 25.2 17.5 54 204 A G < + 0 0 15 -4,-1.2 -3,-0.1 1,-0.3 -1,-0.0 0.455 52.4 153.8 79.3 0.8 22.0 27.6 19.6 55 205 A G - 0 0 12 -6,-0.1 -5,-2.6 19,-0.1 2,-0.4 -0.341 32.2-145.9 -63.9 147.5 23.7 29.1 16.5 56 206 A K E -B 49 0A 72 32,-0.4 32,-2.0 -7,-0.2 2,-0.4 -0.939 13.2-170.4-120.5 139.1 24.9 32.7 16.8 57 207 A L E +BC 48 87A 0 -9,-2.2 -9,-2.7 -2,-0.4 2,-0.3 -0.985 11.8 160.7-130.8 139.1 24.9 35.3 14.1 58 208 A K E + C 0 86A 71 28,-2.3 28,-2.8 -2,-0.4 -11,-0.1 -0.878 46.3 52.0-147.3 175.4 26.6 38.8 14.0 59 209 A N - 0 0 73 -2,-0.3 -1,-0.2 26,-0.2 -12,-0.1 0.957 69.6-158.4 57.5 53.7 27.7 41.5 11.7 60 210 A W - 0 0 19 -14,-0.2 -1,-0.1 25,-0.1 -32,-0.1 -0.354 4.1-150.9 -60.8 142.5 24.4 41.8 9.8 61 211 A E > - 0 0 111 1,-0.1 3,-2.3 -33,-0.0 -1,-0.0 -0.839 28.7 -86.0-116.8 154.4 24.7 43.4 6.4 62 212 A P T 3 S+ 0 0 109 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.315 118.0 29.3 -57.9 135.2 22.2 45.4 4.3 63 213 A G T 3 S+ 0 0 68 1,-0.4 2,-0.1 -3,-0.0 -3,-0.0 0.186 89.2 130.7 97.8 -20.1 20.0 43.0 2.4 64 214 A D < - 0 0 19 -3,-2.3 2,-0.4 4,-0.0 -1,-0.4 -0.427 42.0-157.7 -64.8 140.6 20.3 40.2 5.0 65 215 A R > - 0 0 120 1,-0.1 4,-2.4 -2,-0.1 5,-0.3 -0.947 20.1-127.7-114.1 146.1 17.0 38.6 6.2 66 216 A A H > S+ 0 0 0 -2,-0.4 4,-2.4 1,-0.2 5,-0.2 0.942 106.2 43.9 -60.2 -49.1 16.8 36.9 9.5 67 217 A W H > S+ 0 0 38 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.917 113.9 48.9 -65.1 -43.6 15.3 33.6 8.2 68 218 A S H > S+ 0 0 39 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.922 113.7 46.3 -67.6 -38.4 17.6 33.3 5.2 69 219 A E H X S+ 0 0 13 -4,-2.4 4,-2.1 2,-0.2 5,-0.3 0.914 113.3 50.5 -65.9 -40.3 20.8 33.9 7.2 70 220 A H H X S+ 0 0 0 -4,-2.4 4,-2.6 -5,-0.3 -2,-0.2 0.952 115.4 42.0 -60.3 -47.0 19.5 31.4 9.9 71 221 A R H < S+ 0 0 116 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.859 112.7 53.5 -71.1 -36.3 18.9 28.8 7.2 72 222 A R H < S+ 0 0 153 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.914 120.6 31.0 -64.5 -41.0 22.1 29.5 5.3 73 223 A H H < S+ 0 0 48 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.844 134.3 26.8 -87.1 -34.1 24.3 29.1 8.4 74 224 A F >< + 0 0 34 -4,-2.6 3,-1.8 -5,-0.3 -1,-0.2 -0.530 66.5 158.4-130.2 64.2 22.3 26.5 10.4 75 225 A P T 3 S+ 0 0 72 0, 0.0 -1,-0.1 0, 0.0 61,-0.1 0.676 72.3 57.1 -68.0 -17.2 20.3 24.5 7.9 76 226 A N T 3 S+ 0 0 50 59,-0.2 61,-0.4 -3,-0.1 2,-0.1 0.294 75.4 126.9 -97.1 10.7 19.8 21.5 10.2 77 227 A C <> - 0 0 3 -3,-1.8 4,-2.7 -7,-0.2 5,-0.2 -0.414 62.4-135.2 -67.5 138.4 18.2 23.5 12.9 78 228 A F H > S+ 0 0 35 2,-0.2 4,-0.7 1,-0.2 -1,-0.1 0.818 105.8 53.1 -67.8 -27.8 14.8 22.1 14.0 79 229 A F H >> S+ 0 0 54 2,-0.2 3,-0.6 1,-0.2 4,-0.6 0.941 111.1 46.1 -70.5 -42.7 13.2 25.5 14.0 80 230 A V H >4 S+ 0 0 10 1,-0.2 3,-0.8 -6,-0.2 -2,-0.2 0.921 117.3 44.3 -58.6 -46.3 14.4 26.1 10.5 81 231 A L H 3< S+ 0 0 18 -4,-2.7 76,-2.4 1,-0.2 -1,-0.2 0.523 112.2 52.0 -81.6 -6.7 13.2 22.7 9.4 82 232 A G H << 0 0 43 -4,-0.7 -1,-0.2 -3,-0.6 -2,-0.2 0.415 360.0 360.0-103.9 -6.9 9.9 23.0 11.3 83 233 A R << 0 0 159 -3,-0.8 -3,-0.0 -4,-0.6 -4,-0.0 -0.235 360.0 360.0 -61.7 360.0 9.0 26.3 9.7 84 !* 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 85 1 B A 0 0 7 0, 0.0 2,-0.4 0, 0.0 -26,-0.2 0.000 360.0 360.0 360.0 164.8 25.8 37.9 8.6 86 2 B I E -C 58 0A 83 -28,-2.8 -28,-2.3 -13,-0.0 2,-0.3 -0.904 360.0-118.0-117.3 149.9 28.5 35.6 10.0 87 3 B A E C 57 0A 44 -2,-0.4 -30,-0.2 -30,-0.2 -32,-0.0 -0.608 360.0 360.0 -80.9 142.3 28.3 32.7 12.3 88 4 B V 0 0 115 -32,-2.0 -32,-0.4 -2,-0.3 -1,-0.0 -0.824 360.0 360.0 -94.5 360.0 30.1 32.9 15.6 89 !* 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 90 159 C A 0 0 117 0, 0.0 3,-0.4 0, 0.0 6,-0.1 0.000 360.0 360.0 360.0 -52.2 28.9 8.8 1.4 91 160 C M + 0 0 59 1,-0.2 41,-0.2 41,-0.1 6,-0.1 0.250 360.0 92.0 -91.1 10.4 26.0 8.6 3.9 92 161 C Y S S+ 0 0 186 40,-0.1 2,-0.4 4,-0.1 -1,-0.2 0.833 70.8 80.2 -66.8 -34.0 23.7 8.4 0.8 93 162 C S S > S- 0 0 59 -3,-0.4 4,-1.8 1,-0.1 3,-0.3 -0.639 75.2-146.0 -76.6 126.8 23.9 4.6 0.8 94 163 C E H > S+ 0 0 86 -2,-0.4 4,-2.1 1,-0.2 -1,-0.1 0.870 103.3 57.3 -55.1 -38.1 21.7 2.9 3.4 95 164 C E H > S+ 0 0 100 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.885 105.8 48.5 -63.0 -37.4 24.5 0.3 3.7 96 165 C A H > S+ 0 0 30 -3,-0.3 4,-1.1 2,-0.2 -1,-0.2 0.838 108.1 53.7 -72.4 -32.4 27.0 3.0 4.6 97 166 C R H < S+ 0 0 8 -4,-1.8 25,-0.5 1,-0.2 3,-0.5 0.912 106.1 55.0 -68.5 -36.9 24.6 4.4 7.2 98 167 C L H >< S+ 0 0 22 -4,-2.1 3,-1.8 1,-0.2 -2,-0.2 0.921 102.6 55.8 -59.4 -43.5 24.4 0.9 8.7 99 168 C K H >< S+ 0 0 122 -4,-1.6 3,-1.4 1,-0.3 -1,-0.2 0.801 94.2 67.6 -60.4 -31.3 28.2 0.8 9.1 100 169 C S T 3< S+ 0 0 25 -4,-1.1 -1,-0.3 -3,-0.5 -2,-0.2 0.713 83.3 77.8 -60.7 -18.8 28.2 3.9 11.1 101 170 C F T X + 0 0 14 -3,-1.8 3,-2.0 -4,-0.4 -1,-0.3 0.259 57.9 126.1 -86.0 17.0 26.4 1.9 13.9 102 171 C Q T < S+ 0 0 141 -3,-1.4 22,-0.1 1,-0.3 -3,-0.0 -0.504 82.4 20.0 -59.6 135.5 29.5 0.3 15.0 103 172 C N T 3 S+ 0 0 148 1,-0.3 -1,-0.3 -2,-0.2 -2,-0.1 0.493 83.7 157.3 76.3 8.6 29.6 1.0 18.7 104 173 C W < - 0 0 28 -3,-2.0 -1,-0.3 1,-0.1 23,-0.1 -0.397 53.2-102.8 -59.8 131.5 25.8 1.8 18.8 105 174 C P > - 0 0 32 0, 0.0 3,-1.0 0, 0.0 -1,-0.1 -0.329 16.8-131.7 -70.8 148.1 25.0 1.2 22.5 106 175 C D T 3 S+ 0 0 174 1,-0.3 -2,-0.1 -3,-0.1 -3,-0.0 0.782 103.7 57.6 -66.6 -28.5 23.3 -2.0 23.6 107 176 C Y T 3 S+ 0 0 128 2,-0.0 -1,-0.3 0, 0.0 20,-0.0 0.772 77.0 122.1 -70.0 -27.0 20.7 -0.1 25.7 108 177 C A < - 0 0 15 -3,-1.0 34,-0.1 1,-0.1 -4,-0.0 -0.038 63.5-134.8 -56.3 144.0 19.4 2.0 22.9 109 178 C H S S+ 0 0 94 32,-0.3 35,-0.4 2,-0.0 2,-0.3 0.341 82.1 48.1 -88.3 6.0 15.7 1.6 22.2 110 179 C L S S- 0 0 9 33,-0.1 36,-0.1 31,-0.1 31,-0.1 -0.969 81.0-114.2-138.0 157.5 15.9 1.3 18.3 111 180 C T > - 0 0 78 -2,-0.3 4,-2.2 1,-0.1 5,-0.2 -0.540 21.4-117.5 -90.8 152.9 18.1 -0.7 15.9 112 181 C P H > S+ 0 0 38 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.841 113.9 53.0 -49.4 -41.9 20.7 0.4 13.4 113 182 C R H > S+ 0 0 172 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.911 109.1 46.7 -69.4 -42.5 18.7 -1.0 10.5 114 183 C E H > S+ 0 0 78 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.933 116.5 45.7 -59.7 -45.7 15.5 0.8 11.4 115 184 C L H <>S+ 0 0 0 -4,-2.2 5,-2.4 1,-0.2 3,-0.5 0.939 112.5 49.3 -65.7 -48.9 17.4 4.1 11.9 116 185 C A H ><5S+ 0 0 0 -4,-2.8 3,-1.5 1,-0.2 -1,-0.2 0.873 107.4 55.1 -62.2 -36.0 19.5 3.7 8.7 117 186 C S H 3<5S+ 0 0 52 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.815 103.9 55.4 -66.5 -29.1 16.3 3.0 6.6 118 187 C A T 3<5S- 0 0 0 -4,-1.3 -1,-0.3 -3,-0.5 -2,-0.2 0.208 129.0 -97.3 -86.5 9.9 14.8 6.3 7.9 119 188 C G T < 5S+ 0 0 0 -3,-1.5 13,-2.4 1,-0.3 2,-0.3 0.455 83.0 132.1 96.2 3.9 17.9 8.2 6.6 120 189 C L E < -D 131 0B 0 -5,-2.4 2,-0.3 11,-0.2 -1,-0.3 -0.701 32.3-175.7-103.1 140.1 19.8 8.3 10.0 121 190 C Y E -D 130 0B 44 9,-2.3 9,-2.3 -2,-0.3 2,-0.3 -0.909 34.7 -97.6-127.4 160.4 23.4 7.5 10.8 122 191 C Y E -D 129 0B 20 -25,-0.5 7,-0.2 -2,-0.3 -20,-0.1 -0.541 18.3-156.9 -81.4 138.3 25.2 7.3 14.1 123 192 C T - 0 0 45 5,-2.2 -1,-0.1 2,-0.3 6,-0.1 0.568 46.5-109.8 -87.6 -13.0 27.2 10.4 15.1 124 193 C G S S+ 0 0 49 4,-0.5 2,-0.4 1,-0.2 5,-0.1 0.321 87.2 93.4 100.7 -6.0 29.4 8.3 17.5 125 194 C I S > S- 0 0 111 3,-0.3 3,-2.3 -21,-0.0 -2,-0.3 -0.967 93.2 -42.4-124.4 138.9 28.1 9.7 20.8 126 195 C G T 3 S- 0 0 47 -2,-0.4 -2,-0.1 1,-0.3 -18,-0.1 -0.199 109.4 -43.1 53.3-133.8 25.3 8.4 23.1 127 196 C D T 3 S+ 0 0 4 -23,-0.1 2,-0.3 2,-0.1 -1,-0.3 -0.092 97.2 140.4-112.9 29.0 22.3 7.3 21.0 128 197 C Q < + 0 0 29 -3,-2.3 -5,-2.2 11,-0.1 -4,-0.5 -0.571 25.3 178.4 -81.4 133.6 22.5 10.4 18.8 129 198 C V E -DE 122 138B 0 9,-2.8 9,-2.5 -2,-0.3 2,-0.3 -0.853 12.5-151.7-129.0 166.0 21.9 10.1 15.1 130 199 C Q E -DE 121 137B 42 -9,-2.3 -9,-2.3 -2,-0.3 2,-0.3 -0.996 20.4-114.3-139.5 146.1 21.7 12.5 12.2 131 200 C C E > -D 120 0B 1 5,-2.1 4,-1.4 -2,-0.3 -11,-0.2 -0.598 12.8-145.3 -86.0 135.1 19.9 12.6 8.8 132 201 C F T 4 S+ 0 0 48 -13,-2.4 -1,-0.1 -2,-0.3 -41,-0.1 0.705 98.6 38.9 -67.8 -19.7 22.0 12.3 5.6 133 202 C A T 4 S+ 0 0 47 -14,-0.2 -1,-0.1 3,-0.1 26,-0.1 0.885 130.9 18.7-100.6 -51.6 19.6 14.7 3.8 134 203 C C T 4 S- 0 0 18 2,-0.1 -2,-0.1 -58,-0.1 3,-0.1 0.632 88.4-132.5 -97.9 -14.1 18.5 17.4 6.3 135 204 C G < + 0 0 14 -4,-1.4 -59,-0.2 1,-0.2 -3,-0.1 0.427 50.0 155.2 75.1 -1.0 21.3 17.1 8.8 136 205 C G - 0 0 0 -6,-0.1 -5,-2.1 -61,-0.1 2,-0.4 -0.300 33.9-139.4 -64.3 142.7 18.8 17.1 11.7 137 206 C K E -E 130 0B 95 -61,-0.4 2,-0.4 -7,-0.2 -7,-0.2 -0.840 18.3-175.4-108.9 141.2 20.0 15.3 14.9 138 207 C L E +E 129 0B 0 -9,-2.5 -9,-2.8 -2,-0.4 2,-0.3 -0.994 13.2 153.0-133.8 140.2 17.9 13.1 17.2 139 208 C K + 0 0 96 -137,-2.0 -11,-0.1 -2,-0.4 -13,-0.1 -0.904 43.9 58.0-153.6-179.7 18.8 11.5 20.5 140 209 C N - 0 0 88 -2,-0.3 -1,-0.1 1,-0.1 -137,-0.1 0.922 68.1-166.5 53.9 49.2 17.4 10.2 23.8 141 210 C W - 0 0 6 -14,-0.2 -32,-0.3 -3,-0.1 -1,-0.1 -0.389 3.7-149.6 -63.5 139.4 15.2 7.7 22.1 142 211 C E > - 0 0 112 1,-0.1 3,-2.2 -2,-0.1 -1,-0.1 -0.794 30.7 -78.3-112.5 158.0 12.5 6.3 24.3 143 212 C P T 3 S+ 0 0 97 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.244 118.6 23.6 -54.1 135.7 10.9 2.8 24.3 144 213 C G T 3 S+ 0 0 76 -35,-0.4 2,-0.1 1,-0.3 -34,-0.0 0.268 88.4 135.2 89.8 -12.7 8.2 2.7 21.6 145 214 C D < - 0 0 39 -3,-2.2 2,-0.4 -36,-0.1 -1,-0.3 -0.433 44.0-147.8 -65.3 147.8 9.7 5.5 19.5 146 215 C R > - 0 0 187 1,-0.1 4,-2.0 -3,-0.1 5,-0.2 -0.929 12.2-133.9-115.6 140.6 9.8 4.9 15.7 147 216 C A H > S+ 0 0 0 -2,-0.4 4,-2.5 1,-0.2 5,-0.2 0.933 104.5 45.5 -59.0 -51.9 12.6 6.4 13.6 148 217 C W H > S+ 0 0 42 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.909 111.2 53.3 -60.9 -42.5 10.4 7.7 10.8 149 218 C S H > S+ 0 0 34 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.909 112.8 42.3 -60.3 -44.9 7.9 9.2 13.1 150 219 C E H X S+ 0 0 15 -4,-2.0 4,-2.3 2,-0.2 5,-0.3 0.913 112.4 54.2 -68.7 -40.5 10.4 11.2 15.1 151 220 C H H X S+ 0 0 0 -4,-2.5 4,-2.2 -5,-0.2 -2,-0.2 0.936 114.5 40.9 -57.7 -51.8 12.3 12.2 11.9 152 221 C R H < S+ 0 0 122 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.870 111.9 55.8 -67.3 -36.7 9.1 13.6 10.4 153 222 C R H < S+ 0 0 146 -4,-2.1 -2,-0.2 -5,-0.3 -1,-0.2 0.935 120.0 28.9 -62.5 -42.4 7.8 15.2 13.6 154 223 C H H < S+ 0 0 30 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.757 130.7 32.9 -93.1 -24.2 10.9 17.2 14.2 155 224 C F >< + 0 0 4 -4,-2.2 3,-1.8 -5,-0.3 -1,-0.2 -0.478 64.4 156.0-129.7 62.1 12.2 17.9 10.7 156 225 C P T 3 S+ 0 0 42 0, 0.0 -74,-0.2 0, 0.0 -1,-0.1 0.774 72.8 56.4 -67.4 -24.3 9.1 18.1 8.5 157 226 C N T 3 S+ 0 0 64 -76,-2.4 2,-0.2 -3,-0.1 -75,-0.1 0.380 75.4 123.2 -87.3 3.6 10.8 20.2 5.8 158 227 C C <> - 0 0 2 -3,-1.8 4,-2.8 -77,-0.2 5,-0.2 -0.455 65.4-135.9 -58.0 132.7 13.5 17.6 5.2 159 228 C F H > S+ 0 0 171 2,-0.2 4,-1.9 1,-0.2 -1,-0.1 0.844 104.3 53.0 -64.0 -34.3 13.4 16.6 1.6 160 229 C F H > S+ 0 0 59 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.935 111.0 46.5 -67.3 -45.1 13.7 12.9 2.4 161 230 C V H > S+ 0 0 0 1,-0.2 4,-2.0 -6,-0.2 -2,-0.2 0.945 110.5 53.8 -57.7 -48.0 10.8 13.2 4.8 162 231 C L H < S+ 0 0 91 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.877 111.4 45.0 -60.1 -37.7 8.7 15.1 2.2 163 232 C G H < S+ 0 0 67 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.908 109.5 53.9 -72.4 -44.4 9.3 12.4 -0.4 164 233 C R H < 0 0 151 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.815 360.0 360.0 -56.0 -32.9 8.5 9.5 2.1 165 234 C N < 0 0 113 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.781 360.0 360.0 -68.1 360.0 5.2 11.2 2.8