==== 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 4J46 . 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) . 9217.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 85 52.1 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 80 0, 0.0 138,-0.1 0, 0.0 137,-0.0 0.000 360.0 360.0 360.0 170.5 11.8 14.2 23.4 2 152 A T + 0 0 3 136,-0.1 137,-1.8 148,-0.0 2,-0.3 0.603 360.0 45.9 -88.6 -12.6 14.3 13.5 20.7 3 153 A I - 0 0 35 135,-0.2 135,-0.1 137,-0.1 49,-0.0 -0.823 67.0-170.0-119.9 159.4 15.1 17.2 20.1 4 154 A Y - 0 0 164 -2,-0.3 2,-0.1 48,-0.1 -2,-0.0 -0.915 22.6-120.3-152.1 128.5 15.9 19.8 22.7 5 155 A P - 0 0 17 0, 0.0 47,-0.3 0, 0.0 48,-0.2 -0.415 14.4-134.0 -70.4 142.1 16.2 23.5 22.4 6 156 A R S S+ 0 0 182 46,-1.8 46,-0.2 45,-0.3 45,-0.1 0.886 103.0 27.4 -58.6 -35.9 19.5 25.1 23.3 7 157 A N > - 0 0 42 44,-3.1 3,-0.5 1,-0.1 -1,-0.2 -0.807 67.1-178.1-132.8 89.4 17.5 27.8 25.3 8 158 A P G > S+ 0 0 61 0, 0.0 3,-1.8 0, 0.0 4,-0.3 0.875 83.1 58.0 -55.3 -33.5 14.1 26.7 26.6 9 159 A A G > S+ 0 0 70 1,-0.3 3,-1.2 2,-0.2 6,-0.2 0.904 102.0 56.0 -67.8 -35.6 13.1 30.0 28.1 10 160 A M G < S+ 0 0 34 -3,-0.5 -1,-0.3 1,-0.3 41,-0.2 0.346 76.6 101.4 -81.0 11.3 13.5 31.6 24.6 11 161 A Y G < + 0 0 158 -3,-1.8 2,-0.4 40,-0.1 -1,-0.3 0.866 67.4 78.4 -53.6 -40.2 11.1 29.1 23.4 12 162 A S S <> S- 0 0 53 -3,-1.2 4,-2.0 -4,-0.3 5,-0.1 -0.625 75.0-146.0 -76.9 128.0 8.5 31.9 23.5 13 163 A E H > S+ 0 0 98 -2,-0.4 4,-2.5 1,-0.2 5,-0.2 0.851 102.9 55.7 -57.9 -36.3 8.5 34.5 20.7 14 164 A E H > S+ 0 0 106 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.901 106.2 49.2 -65.9 -39.5 7.5 37.1 23.3 15 165 A A H > S+ 0 0 25 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.880 111.8 49.8 -64.5 -40.6 10.5 36.3 25.5 16 166 A R H < S+ 0 0 5 -4,-2.0 25,-0.5 2,-0.2 3,-0.4 0.910 108.8 52.1 -64.5 -42.2 12.7 36.6 22.4 17 167 A L H >< S+ 0 0 48 -4,-2.5 3,-1.8 1,-0.2 -2,-0.2 0.928 105.7 54.7 -61.6 -42.9 11.2 39.9 21.5 18 168 A K H >< S+ 0 0 139 -4,-2.2 3,-1.7 1,-0.3 -1,-0.2 0.815 92.9 71.4 -58.5 -31.4 11.9 41.3 25.0 19 169 A S T 3< S+ 0 0 34 -4,-1.1 3,-0.5 -3,-0.4 -1,-0.3 0.686 86.7 67.7 -61.8 -17.4 15.6 40.4 24.7 20 170 A F T X + 0 0 11 -3,-1.8 3,-1.9 -4,-0.4 -1,-0.3 0.266 60.9 114.3 -88.4 13.7 15.9 43.3 22.1 21 171 A Q T < S+ 0 0 182 -3,-1.7 -1,-0.2 1,-0.3 -2,-0.1 0.864 90.7 29.4 -47.8 -41.7 15.3 46.1 24.7 22 172 A N T 3 S+ 0 0 135 -3,-0.5 -1,-0.3 19,-0.0 -2,-0.1 0.032 82.2 149.0-114.9 28.1 18.9 47.3 24.2 23 173 A W < - 0 0 24 -3,-1.9 23,-0.1 1,-0.1 -3,-0.1 -0.365 58.9 -98.2 -54.4 132.2 19.4 46.2 20.6 24 174 A P > - 0 0 25 0, 0.0 3,-1.5 0, 0.0 -1,-0.1 -0.243 18.5-124.1 -68.4 153.5 21.8 48.8 19.2 25 175 A D T 3 S+ 0 0 173 1,-0.3 -2,-0.1 -3,-0.1 -3,-0.0 0.694 109.6 56.0 -67.7 -22.5 20.7 51.8 17.2 26 176 A Y T 3 S+ 0 0 155 2,-0.0 2,-0.7 0, 0.0 -1,-0.3 0.559 81.4 101.6 -80.6 -11.2 22.9 50.9 14.3 27 177 A A < - 0 0 13 -3,-1.5 -4,-0.0 1,-0.2 18,-0.0 -0.641 56.3-165.9 -84.6 114.1 21.5 47.4 13.9 28 178 A H + 0 0 95 -2,-0.7 -1,-0.2 32,-0.1 2,-0.1 0.786 56.1 88.6 -79.9 -27.0 19.1 47.6 11.0 29 179 A L S S- 0 0 3 1,-0.1 36,-0.1 2,-0.0 -2,-0.0 -0.412 79.9-115.7 -70.9 145.9 17.0 44.4 11.3 30 180 A T > - 0 0 74 1,-0.1 4,-2.4 -2,-0.1 5,-0.2 -0.578 9.0-127.6 -79.6 142.6 13.9 44.7 13.5 31 181 A P H > S+ 0 0 40 0, 0.0 4,-3.0 0, 0.0 5,-0.3 0.893 111.3 59.3 -47.0 -40.7 13.4 42.7 16.7 32 182 A R H > S+ 0 0 181 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.956 108.6 41.5 -57.7 -48.7 10.1 41.6 15.2 33 183 A E H > S+ 0 0 49 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.921 117.5 47.6 -65.7 -43.9 11.8 39.9 12.2 34 184 A L H ><>S+ 0 0 0 -4,-2.4 5,-2.3 1,-0.2 3,-0.5 0.943 112.3 47.7 -66.2 -50.0 14.6 38.4 14.3 35 185 A A H ><5S+ 0 0 0 -4,-3.0 3,-1.7 1,-0.2 -1,-0.2 0.879 108.1 56.5 -59.6 -36.7 12.4 37.0 17.0 36 186 A S H 3<5S+ 0 0 49 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.808 103.7 54.3 -65.0 -30.4 10.1 35.5 14.4 37 187 A A T <<5S- 0 0 0 -4,-1.2 -1,-0.3 -3,-0.5 -2,-0.2 0.249 128.5 -97.5 -85.3 10.2 13.0 33.6 12.9 38 188 A G T < 5S+ 0 0 0 -3,-1.7 13,-2.2 1,-0.3 2,-0.3 0.516 81.5 132.9 92.8 5.0 13.8 32.1 16.3 39 189 A L E < -A 50 0A 0 -5,-2.3 2,-0.3 11,-0.2 -1,-0.3 -0.702 31.4-176.1-105.6 142.6 16.5 34.6 17.3 40 190 A Y E -A 49 0A 21 9,-2.5 9,-2.5 -2,-0.3 2,-0.4 -0.913 35.2 -95.0-130.3 159.2 17.1 36.5 20.5 41 191 A Y E -A 48 0A 25 -25,-0.5 7,-0.2 -2,-0.3 -20,-0.1 -0.604 20.4-161.2 -80.9 128.9 19.7 39.1 21.4 42 192 A T - 0 0 37 5,-2.2 -1,-0.1 -2,-0.4 6,-0.1 0.501 42.6-115.9 -80.3 -12.2 22.8 37.9 23.2 43 193 A G S S+ 0 0 53 4,-0.4 2,-0.4 1,-0.2 5,-0.1 0.483 84.4 104.7 89.1 1.9 23.6 41.4 24.6 44 194 A I S > S- 0 0 109 3,-0.5 3,-2.5 0, 0.0 -2,-0.2 -0.974 91.4 -54.7-122.7 124.4 26.8 41.7 22.6 45 195 A G T 3 S- 0 0 36 -2,-0.4 -2,-0.1 1,-0.3 -18,-0.1 -0.176 107.4 -38.2 51.1-135.1 27.2 43.8 19.4 46 196 A D T 3 S+ 0 0 19 -23,-0.1 2,-0.5 2,-0.1 -1,-0.3 -0.088 100.4 138.5-106.3 29.5 24.6 42.9 16.8 47 197 A Q < + 0 0 15 -3,-2.5 -5,-2.2 11,-0.1 -3,-0.5 -0.663 27.4 179.2 -88.8 124.0 24.9 39.2 17.8 48 198 A V E -AB 41 57A 0 9,-2.7 9,-2.4 -2,-0.5 2,-0.3 -0.776 11.6-150.2-114.7 166.4 21.7 37.1 18.0 49 199 A Q E -AB 40 56A 29 -9,-2.5 -9,-2.5 -2,-0.3 2,-0.4 -0.982 17.3-119.0-138.7 146.1 21.3 33.4 18.9 50 200 A C E > -A 39 0A 0 5,-2.7 4,-1.1 -2,-0.3 -11,-0.2 -0.702 12.8-148.0 -85.0 129.4 18.7 30.8 17.9 51 201 A F T 4 S+ 0 0 7 -13,-2.2 -44,-3.1 -2,-0.4 -45,-0.3 0.767 95.8 42.9 -62.4 -28.5 16.7 29.3 20.9 52 202 A A T 4 S+ 0 0 5 -14,-0.3 -46,-1.8 -47,-0.3 -48,-0.1 0.958 128.5 17.2 -86.7 -66.7 16.5 26.0 19.0 53 203 A C T 4 S- 0 0 49 -48,-0.2 -2,-0.1 -47,-0.1 -1,-0.1 0.701 91.2-129.5 -85.6 -17.8 19.9 25.2 17.4 54 204 A G < + 0 0 16 -4,-1.1 -3,-0.1 1,-0.3 -1,-0.0 0.437 53.4 151.1 79.7 0.3 22.0 27.6 19.4 55 205 A G - 0 0 7 -6,-0.1 -5,-2.7 19,-0.1 2,-0.3 -0.328 34.8-142.7 -62.9 148.0 23.6 29.1 16.3 56 206 A K E -B 49 0A 61 32,-2.5 32,-2.3 -7,-0.2 2,-0.4 -0.867 12.5-166.7-115.5 145.7 24.7 32.7 16.5 57 207 A L E +BC 48 87A 1 -9,-2.4 -9,-2.7 -2,-0.3 2,-0.3 -0.999 17.4 153.9-133.4 133.0 24.6 35.4 13.8 58 208 A K E + C 0 86A 65 28,-2.1 28,-3.0 -2,-0.4 -11,-0.1 -0.842 44.0 54.4-148.5 175.6 26.3 38.7 13.8 59 209 A N S S- 0 0 85 -2,-0.3 -1,-0.2 26,-0.2 2,-0.1 0.958 71.6-158.2 57.3 52.2 27.7 41.4 11.4 60 210 A W - 0 0 21 25,-0.2 -1,-0.1 -14,-0.1 -32,-0.1 -0.402 2.5-149.7 -60.9 141.0 24.4 41.8 9.6 61 211 A E > - 0 0 117 -2,-0.1 3,-2.2 1,-0.1 -1,-0.0 -0.792 29.6 -88.6-113.2 156.9 24.6 43.3 6.0 62 212 A P T 3 S+ 0 0 118 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.360 117.4 28.2 -68.1 140.7 22.1 45.4 4.2 63 213 A G T 3 S+ 0 0 66 1,-0.4 2,-0.1 -3,-0.0 -3,-0.0 0.245 89.1 132.5 91.3 -15.3 19.7 43.1 2.3 64 214 A D < - 0 0 19 -3,-2.2 -1,-0.4 4,-0.0 2,-0.4 -0.473 42.4-156.2 -63.7 141.5 20.2 40.2 4.8 65 215 A R > - 0 0 119 1,-0.1 4,-2.3 -2,-0.1 5,-0.3 -0.943 18.0-128.8-117.5 144.1 17.0 38.7 6.0 66 216 A A H > S+ 0 0 0 -2,-0.4 4,-2.6 1,-0.2 5,-0.2 0.942 105.7 43.1 -56.8 -52.6 16.7 36.8 9.3 67 217 A W H > S+ 0 0 38 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.919 114.0 49.7 -64.0 -44.8 15.2 33.6 8.0 68 218 A S H > S+ 0 0 39 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.923 113.6 46.3 -67.5 -36.4 17.4 33.3 5.0 69 219 A E H X S+ 0 0 11 -4,-2.3 4,-2.1 2,-0.2 5,-0.4 0.927 113.0 50.1 -65.9 -45.7 20.6 33.9 7.0 70 220 A H H X S+ 0 0 0 -4,-2.6 4,-2.1 -5,-0.3 -2,-0.2 0.946 115.4 42.7 -56.8 -46.1 19.4 31.4 9.7 71 221 A R H < S+ 0 0 119 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.867 113.1 52.9 -69.8 -39.4 18.6 28.7 7.0 72 222 A R H < S+ 0 0 152 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.907 121.4 28.9 -62.9 -42.1 21.8 29.4 5.0 73 223 A H H < S+ 0 0 44 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.773 133.5 30.0 -94.1 -25.4 24.2 28.9 8.0 74 224 A F >< + 0 0 32 -4,-2.1 3,-1.8 -5,-0.4 6,-0.2 -0.440 66.8 156.6-132.3 63.8 22.2 26.5 10.2 75 225 A P T 3 S+ 0 0 72 0, 0.0 61,-0.1 0, 0.0 -1,-0.1 0.670 70.6 57.6 -68.0 -19.4 20.2 24.4 7.7 76 226 A N T 3 S+ 0 0 50 59,-0.2 61,-0.4 -3,-0.1 2,-0.2 0.325 75.1 126.3 -97.2 11.8 19.8 21.5 10.1 77 227 A C <> - 0 0 2 -3,-1.8 4,-2.6 -7,-0.2 5,-0.2 -0.401 62.3-135.9 -67.3 135.4 18.1 23.5 12.8 78 228 A F H > S+ 0 0 34 2,-0.2 4,-0.6 1,-0.2 -1,-0.1 0.820 106.3 53.2 -66.3 -27.0 14.8 22.0 13.9 79 229 A F H >> S+ 0 0 51 2,-0.2 3,-0.8 1,-0.2 4,-0.6 0.949 111.3 45.7 -71.0 -41.3 13.2 25.5 13.9 80 230 A V H >4 S+ 0 0 11 1,-0.2 3,-0.7 -6,-0.2 -2,-0.2 0.901 117.4 44.4 -58.1 -46.5 14.4 26.1 10.4 81 231 A L H 3< S+ 0 0 17 -4,-2.6 76,-2.5 1,-0.2 77,-0.2 0.485 113.4 50.5 -81.7 -9.6 13.2 22.6 9.3 82 232 A G H << 0 0 43 -3,-0.8 -1,-0.2 -4,-0.6 -2,-0.2 0.421 360.0 360.0-102.5 -7.1 9.8 22.9 11.2 83 233 A R << 0 0 163 -3,-0.7 -3,-0.0 -4,-0.6 -4,-0.0 -0.225 360.0 360.0 -66.1 360.0 8.9 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 10 0, 0.0 -26,-0.2 0, 0.0 -25,-0.2 0.000 360.0 360.0 360.0 169.3 25.7 37.8 8.3 86 2 B V E -C 58 0A 64 -28,-3.0 -28,-2.1 -13,-0.0 2,-0.2 -0.871 360.0-138.9-107.4 127.4 28.5 35.8 10.0 87 3 B P E C 57 0A 55 0, 0.0 -30,-0.2 0, 0.0 -32,-0.0 -0.567 360.0 360.0 -90.3 143.5 27.7 32.5 11.8 88 4 B I 0 0 118 -32,-2.3 -32,-2.5 -2,-0.2 -2,-0.0 -0.999 360.0 360.0-124.5 360.0 29.2 31.3 15.2 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 -52.8 28.9 8.9 1.5 91 160 C M + 0 0 56 1,-0.2 41,-0.2 41,-0.1 6,-0.1 0.234 360.0 93.7 -92.5 12.0 25.9 8.5 3.8 92 161 C Y + 0 0 187 40,-0.1 2,-0.4 4,-0.1 -1,-0.2 0.852 70.0 80.5 -67.4 -34.9 23.6 8.4 0.8 93 162 C S S > S- 0 0 60 -3,-0.4 4,-1.9 1,-0.1 5,-0.2 -0.601 75.1-146.1 -75.3 125.6 23.8 4.6 0.8 94 163 C E H > S+ 0 0 94 -2,-0.4 4,-2.0 1,-0.2 -1,-0.1 0.842 104.3 56.3 -55.7 -34.9 21.5 2.8 3.3 95 164 C E H > S+ 0 0 101 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.896 105.8 48.8 -65.8 -38.4 24.3 0.3 3.6 96 165 C A H > S+ 0 0 29 2,-0.2 4,-1.0 1,-0.2 -2,-0.2 0.862 110.3 51.4 -69.0 -34.1 26.8 3.0 4.5 97 166 C R H < S+ 0 0 8 -4,-1.9 25,-0.5 2,-0.2 3,-0.4 0.896 108.4 52.6 -69.7 -37.1 24.4 4.4 7.2 98 167 C L H >< S+ 0 0 25 -4,-2.0 3,-1.7 1,-0.2 -2,-0.2 0.924 104.8 55.2 -65.4 -43.1 24.1 0.9 8.6 99 168 C K H >< S+ 0 0 133 -4,-2.0 3,-1.1 1,-0.3 -1,-0.2 0.772 93.9 69.0 -60.7 -26.1 27.8 0.6 8.9 100 169 C S T 3< S+ 0 0 26 -4,-1.0 -1,-0.3 -3,-0.4 -2,-0.2 0.693 80.4 81.1 -64.2 -17.8 28.0 3.8 11.0 101 170 C F T X + 0 0 15 -3,-1.7 3,-1.8 -4,-0.4 -1,-0.3 0.234 56.1 126.1 -82.3 17.8 26.3 1.9 13.8 102 171 C Q T < S+ 0 0 142 -3,-1.1 22,-0.1 1,-0.3 20,-0.0 -0.498 81.5 21.8 -60.3 138.6 29.5 0.2 14.9 103 172 C N T 3 S+ 0 0 147 1,-0.2 -1,-0.3 -2,-0.1 -2,-0.1 0.486 84.4 156.5 74.5 7.1 29.6 1.1 18.6 104 173 C W < - 0 0 29 -3,-1.8 -1,-0.2 1,-0.1 23,-0.1 -0.413 52.3-105.1 -58.4 130.9 25.8 1.7 18.8 105 174 C P > - 0 0 32 0, 0.0 3,-1.0 0, 0.0 -1,-0.1 -0.346 15.2-132.7 -71.8 146.4 25.0 1.2 22.5 106 175 C D T 3 S+ 0 0 173 1,-0.3 -2,-0.1 -3,-0.1 -3,-0.0 0.763 103.4 58.6 -65.1 -27.1 23.2 -2.0 23.6 107 176 C Y T 3 S+ 0 0 130 2,-0.0 -1,-0.3 0, 0.0 20,-0.0 0.794 76.6 121.5 -70.0 -25.9 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 -0.048 63.4-136.1 -57.3 143.9 19.4 2.0 22.8 109 178 C H S S+ 0 0 94 32,-0.3 35,-0.4 2,-0.0 2,-0.3 0.305 81.4 47.2 -91.0 8.6 15.7 1.5 22.2 110 179 C L S S- 0 0 10 33,-0.1 36,-0.1 31,-0.1 31,-0.1 -0.970 81.3-112.8-138.5 160.4 15.8 1.3 18.3 111 180 C T > - 0 0 78 -2,-0.3 4,-2.3 1,-0.1 5,-0.2 -0.527 21.1-117.1 -92.9 154.2 18.0 -0.8 15.9 112 181 C P H > S+ 0 0 32 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.850 113.9 52.4 -50.2 -40.9 20.6 0.3 13.3 113 182 C R H > S+ 0 0 175 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.925 109.0 46.8 -70.6 -42.1 18.5 -1.0 10.5 114 183 C E H > S+ 0 0 69 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.940 116.4 46.3 -59.9 -45.6 15.3 0.8 11.4 115 184 C L H <>S+ 0 0 0 -4,-2.3 5,-2.6 1,-0.2 3,-0.3 0.941 112.6 48.6 -62.9 -46.0 17.3 4.1 11.8 116 185 C A H ><5S+ 0 0 0 -4,-2.7 3,-1.7 1,-0.2 -1,-0.2 0.893 107.5 55.4 -66.8 -37.3 19.3 3.7 8.6 117 186 C S H 3<5S+ 0 0 52 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.867 104.6 54.6 -62.8 -29.4 16.1 3.0 6.6 118 187 C A T 3<5S- 0 0 0 -4,-1.4 -1,-0.3 -3,-0.3 -2,-0.2 0.240 128.5 -98.8 -87.7 9.6 14.7 6.3 8.0 119 188 C G T < 5S+ 0 0 0 -3,-1.7 13,-2.3 1,-0.3 2,-0.3 0.488 82.3 131.9 93.3 6.0 17.8 8.1 6.6 120 189 C L E < -D 131 0B 0 -5,-2.6 2,-0.3 11,-0.2 -1,-0.3 -0.704 32.5-175.7-104.6 142.5 19.6 8.3 9.9 121 190 C Y E -D 130 0B 46 9,-2.4 9,-2.2 -2,-0.3 2,-0.2 -0.929 34.0 -96.2-129.9 159.0 23.2 7.4 10.8 122 191 C Y E -D 129 0B 21 -25,-0.5 7,-0.2 -2,-0.3 -20,-0.1 -0.506 18.4-158.9 -78.2 136.1 25.1 7.3 14.0 123 192 C T - 0 0 47 5,-2.3 -1,-0.1 2,-0.3 6,-0.1 0.564 46.8-110.6 -87.5 -14.4 27.1 10.3 15.0 124 193 C G S S+ 0 0 49 4,-0.5 2,-0.4 1,-0.2 5,-0.1 0.343 86.7 92.7 102.1 -3.2 29.3 8.2 17.4 125 194 C I S > S- 0 0 112 3,-0.3 3,-2.3 -21,-0.0 -2,-0.3 -0.971 93.5 -40.2-122.8 136.0 28.1 9.6 20.7 126 195 C G T 3 S- 0 0 47 -2,-0.4 -2,-0.1 1,-0.3 -18,-0.1 -0.200 109.7 -43.6 61.5-138.0 25.3 8.4 23.0 127 196 C D T 3 S+ 0 0 4 -23,-0.1 2,-0.3 2,-0.1 -1,-0.3 -0.084 97.2 141.4-111.7 31.4 22.3 7.3 21.0 128 197 C Q < + 0 0 27 -3,-2.3 -5,-2.3 11,-0.1 -4,-0.5 -0.596 24.8 178.4 -85.2 135.0 22.5 10.3 18.7 129 198 C V E -DE 122 138B 0 9,-2.6 9,-2.6 -2,-0.3 2,-0.3 -0.837 12.4-151.8-129.1 161.8 21.8 10.0 15.0 130 199 C Q E -DE 121 137B 43 -9,-2.2 -9,-2.4 -2,-0.3 2,-0.3 -0.995 20.4-114.8-137.1 146.3 21.7 12.4 12.1 131 200 C C E > -D 120 0B 1 5,-2.0 4,-1.3 -2,-0.3 -11,-0.2 -0.592 12.6-146.4 -83.6 134.0 19.8 12.6 8.8 132 201 C F T 4 S+ 0 0 48 -13,-2.3 -1,-0.1 -2,-0.3 -41,-0.1 0.681 98.1 40.0 -69.3 -19.0 21.8 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 0.866 131.5 17.2 -99.8 -54.2 19.4 14.6 3.8 134 203 C C T 4 S- 0 0 18 2,-0.1 -2,-0.1 24,-0.1 3,-0.1 0.610 88.5-131.6 -96.2 -14.2 18.5 17.4 6.2 135 204 C G < + 0 0 14 -4,-1.3 -59,-0.2 1,-0.2 -3,-0.1 0.420 49.6 156.1 74.7 0.9 21.2 17.0 8.8 136 205 C G - 0 0 0 -6,-0.1 -5,-2.0 -61,-0.1 2,-0.4 -0.306 33.6-138.8 -60.3 141.9 18.7 17.0 11.7 137 206 C K E -E 130 0B 95 -61,-0.4 2,-0.4 -7,-0.2 -7,-0.2 -0.810 18.5-175.3-108.7 140.6 19.9 15.3 14.9 138 207 C L E +E 129 0B 0 -9,-2.6 -9,-2.6 -2,-0.4 2,-0.3 -0.996 12.8 153.0-133.4 140.2 17.8 13.1 17.1 139 208 C K + 0 0 92 -137,-1.8 -11,-0.1 -2,-0.4 -13,-0.1 -0.898 43.4 58.0-153.2 178.7 18.8 11.5 20.5 140 209 C N - 0 0 88 -2,-0.3 -1,-0.1 1,-0.2 2,-0.1 0.925 67.7-165.4 55.6 49.7 17.4 10.2 23.8 141 210 C W - 0 0 7 -14,-0.2 -32,-0.3 -3,-0.1 -1,-0.2 -0.398 2.9-149.5 -62.1 139.0 15.1 7.6 22.1 142 211 C E > - 0 0 115 -2,-0.1 3,-2.3 1,-0.1 -1,-0.0 -0.808 30.5 -81.9-112.3 155.3 12.5 6.2 24.3 143 212 C P T 3 S+ 0 0 100 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.274 118.0 25.0 -54.6 136.1 10.9 2.7 24.2 144 213 C G T 3 S+ 0 0 74 -35,-0.4 -34,-0.0 1,-0.3 2,-0.0 0.212 88.4 134.3 93.3 -16.5 8.1 2.6 21.6 145 214 C D < - 0 0 41 -3,-2.3 2,-0.4 -36,-0.1 -1,-0.3 -0.391 45.2-146.1 -61.7 148.6 9.6 5.4 19.5 146 215 C R > - 0 0 121 1,-0.1 4,-2.0 -3,-0.1 5,-0.2 -0.945 11.7-134.0-116.0 139.3 9.7 4.8 15.7 147 216 C A H > S+ 0 0 0 -2,-0.4 4,-2.5 1,-0.2 5,-0.2 0.935 104.6 44.7 -56.4 -52.8 12.6 6.3 13.6 148 217 C W H > S+ 0 0 13 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.907 110.7 53.5 -62.2 -42.6 10.3 7.6 10.8 149 218 C S H > S+ 0 0 51 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.913 112.9 42.6 -60.9 -44.7 7.8 9.2 13.2 150 219 C E H X S+ 0 0 16 -4,-2.0 4,-2.2 2,-0.2 5,-0.3 0.911 112.8 53.1 -68.8 -41.1 10.3 11.1 15.1 151 220 C H H X S+ 0 0 0 -4,-2.5 4,-2.3 -5,-0.2 -2,-0.2 0.935 114.8 41.8 -57.4 -50.8 12.2 12.2 11.9 152 221 C R H < S+ 0 0 103 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.902 112.3 54.6 -66.9 -37.1 8.9 13.5 10.4 153 222 C R H < S+ 0 0 176 -4,-2.1 -2,-0.2 -5,-0.3 -1,-0.2 0.932 120.3 29.1 -63.2 -41.2 7.7 15.1 13.6 154 223 C H H < S+ 0 0 22 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.786 130.4 32.9 -92.4 -26.9 10.9 17.2 14.2 155 224 C F >< + 0 0 5 -4,-2.3 3,-1.8 -5,-0.3 -1,-0.2 -0.513 64.8 156.3-129.7 61.1 12.1 17.8 10.6 156 225 C P T 3 S+ 0 0 42 0, 0.0 -74,-0.2 0, 0.0 -1,-0.1 0.766 72.7 56.0 -65.7 -25.4 9.0 18.0 8.5 157 226 C N T 3 S+ 0 0 65 -76,-2.5 2,-0.1 -3,-0.1 -75,-0.1 0.368 76.0 123.9 -86.8 2.0 10.6 20.1 5.8 158 227 C C <> - 0 0 2 -3,-1.8 4,-2.7 -77,-0.2 5,-0.2 -0.460 64.9-135.5 -56.3 132.5 13.4 17.5 5.2 159 228 C F H > S+ 0 0 172 2,-0.2 4,-1.7 1,-0.2 -1,-0.1 0.811 104.7 52.2 -62.3 -38.6 13.3 16.5 1.6 160 229 C F H > S+ 0 0 62 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.917 111.1 47.9 -63.0 -45.1 13.6 12.8 2.4 161 230 C V H > S+ 0 0 0 1,-0.2 4,-1.9 -6,-0.2 -2,-0.2 0.930 110.1 52.7 -59.5 -43.9 10.6 13.1 4.8 162 231 C L H < S+ 0 0 92 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.863 111.5 45.8 -65.2 -35.5 8.6 15.0 2.2 163 232 C G H < S+ 0 0 68 -4,-1.7 -1,-0.2 2,-0.2 -2,-0.2 0.880 108.9 54.8 -72.9 -42.9 9.2 12.3 -0.4 164 233 C R H < 0 0 142 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.822 360.0 360.0 -55.6 -36.8 8.4 9.4 2.1 165 234 C N < 0 0 112 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.724 360.0 360.0 -70.6 360.0 5.0 11.1 2.8