==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 24-SEP-02 1MUO . COMPND 2 MOLECULE: AURORA-RELATED KINASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR G.M.T.CHEETHAM,R.M.A.KNEGTEL,J.T.COLL,S.B.RENWICK,L.SWENSON, . 251 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13253.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 152 60.6 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 . 27 10.8 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 . 2 0.8 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 . 1 0.4 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 . 19 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 64 25.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 2.8 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 1 2 0 2 1 1 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 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 . 6 0 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 1 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 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 1 128 A W 0 0 159 0, 0.0 2,-0.3 0, 0.0 73,-0.2 0.000 360.0 360.0 360.0-173.6 27.0 62.2 21.8 2 129 A A > - 0 0 38 71,-0.1 3,-3.2 1,-0.0 4,-0.2 -0.984 360.0-117.1-155.5 145.3 25.1 60.1 24.4 3 130 A L G > S+ 0 0 60 1,-0.3 3,-0.7 -2,-0.3 -1,-0.0 0.726 117.9 60.4 -55.9 -20.7 24.7 56.4 25.1 4 131 A E G 3 S+ 0 0 172 1,-0.2 -1,-0.3 3,-0.1 22,-0.1 0.632 84.0 80.2 -82.1 -13.5 21.1 57.0 24.3 5 132 A D G < S+ 0 0 51 -3,-3.2 21,-2.4 20,-0.1 22,-0.5 0.496 95.7 47.2 -71.7 -3.9 22.0 58.2 20.8 6 133 A F B < S-A 25 0A 23 -3,-0.7 2,-0.5 19,-0.3 19,-0.3 -0.962 74.8-125.5-141.0 158.9 22.3 54.6 19.7 7 134 A E - 0 0 58 17,-2.8 2,-0.2 -2,-0.3 17,-0.1 -0.882 35.0-132.7-101.1 123.1 20.6 51.2 19.7 8 135 A I - 0 0 114 -2,-0.5 15,-0.3 15,-0.2 2,-0.2 -0.563 23.0-168.9 -84.0 143.5 22.8 48.5 21.1 9 136 A G - 0 0 30 13,-5.6 3,-0.1 1,-0.3 15,-0.1 -0.450 39.5 -46.2-115.3-172.0 23.2 45.1 19.5 10 137 A R S S- 0 0 164 11,-0.2 12,-3.6 -2,-0.2 2,-0.5 -0.105 71.3 -88.7 -56.1 157.0 24.7 41.7 20.3 11 138 A P B -B 21 0A 81 0, 0.0 10,-0.3 0, 0.0 -1,-0.1 -0.568 33.4-161.8 -70.5 116.6 28.2 41.6 21.9 12 139 A L - 0 0 58 8,-1.8 2,-0.2 -2,-0.5 9,-0.2 0.844 69.9 -28.3 -68.1 -35.1 30.7 41.5 19.0 13 140 A G - 0 0 38 7,-0.6 7,-0.3 -3,-0.1 2,-0.2 -0.815 70.0 -92.7-157.4-162.9 33.3 40.3 21.4 14 141 A K - 0 0 86 -2,-0.2 2,-0.2 5,-0.1 4,-0.1 -0.683 27.6-168.9-120.9 174.6 34.5 40.3 24.9 15 142 A G - 0 0 17 -2,-0.2 136,-0.2 1,-0.1 135,-0.0 -0.805 28.5-150.0-172.7 126.6 36.9 42.5 26.9 16 143 A K S S+ 0 0 55 -2,-0.2 135,-0.2 1,-0.0 -1,-0.1 0.976 109.5 33.2 -57.9 -54.3 38.6 42.5 30.3 17 144 A F S S- 0 0 66 133,-1.9 21,-0.2 1,-0.2 2,-0.2 0.992 134.6 -24.0 -62.7 -82.2 38.5 46.3 30.2 18 145 A G - 0 0 6 132,-0.5 19,-0.3 19,-0.2 -1,-0.2 -0.613 60.7-116.7-125.3-173.9 35.3 47.0 28.4 19 146 A N - 0 0 50 17,-1.0 17,-0.2 -2,-0.2 -1,-0.1 -0.054 9.6-150.2-104.3-153.8 32.9 45.5 25.9 20 147 A V - 0 0 23 -7,-0.3 -8,-1.8 15,-0.2 -7,-0.6 -0.164 16.4-176.3 173.0 79.6 31.7 46.4 22.4 21 148 A Y E -BC 11 34A 62 13,-0.5 13,-1.7 -10,-0.3 -11,-0.2 -0.431 42.7 -86.3 -84.8 160.2 28.2 45.5 21.3 22 149 A L E - C 0 33A 40 -12,-3.6 -13,-5.6 11,-0.2 11,-0.2 -0.383 58.2-169.5 -59.4 146.1 26.8 46.0 17.8 23 150 A A E - C 0 32A 10 9,-0.9 9,-2.1 -15,-0.3 2,-0.2 -0.758 21.5-166.9-133.1-178.7 25.4 49.5 17.7 24 151 A R E - C 0 31A 139 7,-0.3 -17,-2.8 -2,-0.2 7,-0.2 -0.762 28.2-121.8-170.2 117.1 23.3 51.8 15.6 25 152 A E E >> -AC 6 30A 41 5,-1.9 4,-1.6 -19,-0.3 5,-0.6 -0.535 23.0-137.0 -65.1 133.6 22.9 55.5 15.7 26 153 A K T 45S+ 0 0 80 -21,-2.4 -1,-0.2 -2,-0.2 -20,-0.1 0.737 99.2 48.7 -61.8 -27.5 19.1 56.1 16.2 27 154 A Q T 45S+ 0 0 81 -22,-0.5 -1,-0.1 1,-0.1 -21,-0.0 0.958 119.3 31.8 -72.0 -82.4 19.1 59.0 13.7 28 155 A S T 45S- 0 0 62 1,-0.2 -2,-0.2 2,-0.1 3,-0.1 0.548 91.9-135.5 -52.8 -15.6 21.0 57.5 10.7 29 156 A K T <5 + 0 0 69 -4,-1.6 2,-0.4 1,-0.3 -1,-0.2 0.762 57.0 157.3 58.9 19.7 19.7 54.0 11.4 30 157 A F E < -C 25 0A 84 -5,-0.6 -5,-1.9 1,-0.1 -1,-0.3 -0.659 44.4-120.4 -86.6 131.9 23.4 53.5 10.7 31 158 A I E +C 24 0A 67 -2,-0.4 -7,-0.3 -7,-0.2 54,-0.3 -0.352 42.9 155.8 -69.9 144.9 25.2 50.4 12.0 32 159 A L E -C 23 0A 7 -9,-2.1 -9,-0.9 52,-0.1 2,-0.3 -0.573 37.2-121.6-142.4-155.0 28.2 50.9 14.3 33 160 A A E -C 22 0A 10 50,-0.3 50,-2.7 -11,-0.2 2,-0.7 -0.817 17.6-154.2-165.2 120.2 30.4 49.3 17.0 34 161 A L E -CD 21 82A 17 -13,-1.7 2,-1.8 -2,-0.3 -13,-0.5 -0.788 0.8-161.3-111.1 95.9 30.8 50.8 20.4 35 162 A K - 0 0 20 46,-1.4 2,-0.4 -2,-0.7 -15,-0.2 -0.511 18.8-171.5 -73.6 85.9 34.1 49.9 22.2 36 163 A V - 0 0 4 -2,-1.8 -17,-1.0 44,-0.2 2,-0.4 -0.698 2.3-162.7 -82.8 124.9 33.0 50.8 25.7 37 164 A L B -E 79 0A 8 42,-1.3 42,-1.3 -2,-0.4 -19,-0.2 -0.920 15.2-120.9-113.5 137.2 35.9 50.7 28.3 38 165 A F > - 0 0 83 -2,-0.4 4,-1.4 -21,-0.2 40,-0.2 -0.110 7.1-138.0 -70.5 169.0 35.5 50.5 32.0 39 166 A K H >> S+ 0 0 118 38,-0.3 4,-2.4 2,-0.2 3,-1.4 0.933 99.2 51.5 -85.7 -81.4 36.6 52.8 34.4 40 167 A A H 3> S+ 0 0 56 1,-0.3 4,-3.4 2,-0.2 -1,-0.2 0.737 116.0 50.3 -22.0 -34.7 37.9 50.9 37.2 41 168 A Q H 34 S+ 0 0 47 2,-0.2 -1,-0.3 1,-0.2 -2,-0.2 0.894 108.5 47.3 -79.3 -43.4 39.9 49.1 34.5 42 169 A L H <<>S+ 0 0 17 -3,-1.4 5,-1.1 -4,-1.4 6,-0.5 0.674 121.7 42.5 -69.6 -16.3 41.3 52.2 32.7 43 170 A E H <5S+ 0 0 61 -4,-2.4 2,-0.6 3,-0.1 -2,-0.2 0.865 97.7 69.2 -94.5 -50.1 42.1 53.3 36.3 44 171 A K T <5S+ 0 0 159 -4,-3.4 2,-0.2 -5,-0.4 -2,-0.1 0.336 112.8 35.6 -55.4 20.4 43.5 49.9 37.7 45 172 A A T 5S- 0 0 51 -2,-0.6 -1,-0.2 -3,-0.1 2,-0.2 -0.556 102.0-103.8-175.1 103.7 46.4 50.5 35.4 46 173 A G T 5S+ 0 0 77 1,-0.2 -3,-0.1 -2,-0.2 -2,-0.1 0.010 82.1 118.7 -32.3 85.4 48.0 53.8 34.5 47 174 A V >< + 0 0 12 -5,-1.1 4,-1.0 -2,-0.2 -1,-0.2 0.293 41.3 88.3-137.0 -3.5 46.3 53.8 31.0 48 175 A E T 4 S+ 0 0 53 -6,-0.5 3,-0.2 1,-0.2 -2,-0.1 0.872 99.1 46.8 -63.7 -32.8 44.1 57.0 31.3 49 176 A H T > S+ 0 0 86 1,-0.2 4,-0.6 3,-0.1 -1,-0.2 0.890 107.4 54.6 -72.1 -40.3 47.4 58.4 30.0 50 177 A Q H > S+ 0 0 137 -8,-0.1 4,-0.7 2,-0.1 -1,-0.2 0.638 106.1 65.9 -68.6 -13.5 47.6 55.6 27.4 51 178 A L H < S+ 0 0 31 -4,-1.0 2,-4.0 -3,-0.2 -3,-0.0 -0.289 90.6 40.1 -93.3-173.2 44.1 56.7 26.3 52 179 A R H > S+ 0 0 191 1,-0.2 4,-4.2 -2,-0.1 5,-0.2 -0.145 108.0 72.4 67.1 -50.5 43.4 60.0 24.7 53 180 A R H X S+ 0 0 49 -2,-4.0 4,-1.9 -4,-0.6 -1,-0.2 0.990 107.5 26.3 -56.2 -74.2 46.6 59.5 22.8 54 181 A E H X>S+ 0 0 62 -4,-0.7 4,-3.5 1,-0.2 5,-0.6 0.929 121.0 63.4 -55.7 -43.2 45.6 56.8 20.3 55 182 A V H >5S+ 0 0 21 1,-0.3 4,-2.1 2,-0.2 -2,-0.2 0.927 107.0 38.9 -44.2 -59.0 42.2 58.2 20.8 56 183 A E H <5S+ 0 0 116 -4,-4.2 -1,-0.3 1,-0.2 -2,-0.2 0.780 118.1 53.7 -65.9 -25.3 43.3 61.6 19.3 57 184 A I H X5S+ 0 0 64 -4,-1.9 4,-1.2 -5,-0.2 -2,-0.2 0.898 113.6 35.4 -78.4 -46.0 45.4 59.7 16.7 58 185 A Q H <5S+ 0 0 1 -4,-3.5 2,-4.0 1,-0.2 11,-0.5 0.869 103.5 82.6 -72.7 -34.3 42.8 57.3 15.2 59 186 A S T < -G 66 0B 38 -2,-0.9 3,-1.4 3,-0.5 5,-0.1 -0.990 61.7-126.8-149.8 142.1 42.3 55.7 5.6 64 191 A P T 3 S+ 0 0 74 0, 0.0 2,-0.8 0, 0.0 4,-0.2 0.954 112.4 45.2 -49.7 -60.3 40.3 52.8 4.0 65 192 A N T 3 S+ 0 0 22 47,-0.1 80,-0.8 79,-0.1 2,-0.4 -0.076 101.7 81.7 -80.4 37.3 42.5 50.1 5.6 66 193 A I B < S-Gh 63 145B 0 -3,-1.4 -3,-0.5 -2,-0.8 2,-0.2 -0.900 89.5-118.9-144.7 109.3 42.4 51.8 9.0 67 194 A L - 0 0 9 78,-1.4 80,-0.1 -2,-0.4 -2,-0.1 -0.311 37.9-132.0 -52.9 112.3 39.4 51.2 11.1 68 195 A R - 0 0 97 -2,-0.2 16,-1.7 -4,-0.2 2,-0.3 -0.165 7.7-144.3 -65.0 162.5 38.0 54.7 11.5 69 196 A L - 0 0 6 -11,-0.5 14,-0.2 14,-0.2 13,-0.1 -0.736 14.8-174.5-130.7 79.6 37.0 56.1 14.9 70 197 A Y - 0 0 84 -2,-0.3 2,-0.3 1,-0.1 -1,-0.2 0.917 57.7 -36.5 -39.1 -76.2 34.0 58.2 14.3 71 198 A G E -F 82 0A 13 11,-0.7 11,-3.4 -12,-0.0 2,-0.3 -0.830 46.1-141.1-147.1-176.1 33.7 59.5 17.8 72 199 A Y E +F 81 0A 118 -2,-0.3 2,-0.2 9,-0.2 9,-0.2 -0.990 17.9 160.6-149.8 150.8 34.0 59.1 21.5 73 200 A F E -F 80 0A 20 7,-1.2 7,-1.9 -2,-0.3 2,-0.2 -0.713 17.9-151.7-148.4-163.9 32.2 60.2 24.7 74 201 A H E -F 79 0A 108 5,-0.3 5,-0.3 -2,-0.2 2,-0.2 -0.770 4.2-153.3 178.5 132.5 32.1 59.0 28.3 75 202 A D - 0 0 52 3,-0.7 -2,-0.0 -2,-0.2 -73,-0.0 -0.498 47.7 -79.3-105.2-179.8 29.8 58.8 31.3 76 203 A A S S+ 0 0 99 1,-0.2 -1,-0.0 -2,-0.2 0, 0.0 0.916 125.1 23.5 -36.3 -79.3 30.7 58.6 35.0 77 204 A T S S+ 0 0 79 -38,-0.1 -38,-0.3 -3,-0.0 -37,-0.2 0.905 128.7 22.7 -59.3 -52.1 31.5 54.9 35.3 78 205 A R - 0 0 83 -40,-0.2 -3,-0.7 -39,-0.1 2,-0.3 -0.403 59.4-141.1-114.1-173.5 32.5 54.1 31.7 79 206 A V E -EF 37 74A 28 -42,-1.3 -42,-1.3 -5,-0.3 2,-0.4 -0.949 18.5-141.4-142.3 159.0 33.7 55.6 28.4 80 207 A Y E - F 0 73A 2 -7,-1.9 -7,-1.2 -2,-0.3 2,-0.5 -0.968 6.4-154.7-134.3 148.1 32.7 54.7 24.8 81 208 A L E - F 0 72A 6 -2,-0.4 -46,-1.4 -9,-0.2 2,-0.7 -0.979 10.6-155.7-119.3 123.4 34.4 54.4 21.5 82 209 A I E +DF 34 71A 7 -11,-3.4 -11,-0.7 -2,-0.5 2,-0.3 -0.891 32.2 166.9 -99.7 112.0 32.3 54.9 18.4 83 210 A L - 0 0 6 -50,-2.7 -50,-0.3 -2,-0.7 -14,-0.2 -0.893 41.1 -83.7-136.7 162.3 34.0 53.1 15.5 84 211 A E - 0 0 37 -16,-1.7 2,-0.6 -2,-0.3 -52,-0.1 -0.228 48.6-122.4 -53.8 135.7 33.8 51.7 12.0 85 212 A Y - 0 0 63 -54,-0.3 -1,-0.1 1,-0.0 -52,-0.1 -0.761 19.3-162.9 -92.0 120.5 32.1 48.3 11.8 86 213 A A > - 0 0 14 -2,-0.6 3,-1.3 1,-0.1 51,-0.4 -0.758 7.7-175.5-106.8 88.7 34.1 45.4 10.3 87 214 A P T 3 S+ 0 0 58 0, 0.0 51,-0.2 0, 0.0 -1,-0.1 0.691 72.3 62.8 -48.0 -42.3 31.6 42.6 9.5 88 215 A L T 3 S- 0 0 90 49,-1.5 50,-0.2 1,-0.2 6,-0.1 0.351 98.1-138.3 -78.2 7.9 33.9 39.8 8.3 89 216 A G < - 0 0 30 -3,-1.3 48,-2.6 48,-0.4 2,-0.3 -0.285 43.1 -18.8 75.3-156.6 35.6 39.5 11.6 90 217 A T B > -I 136 0B 15 46,-0.2 4,-2.5 1,-0.1 5,-0.2 -0.713 43.6-137.3 -96.4 135.6 39.3 39.1 12.4 91 218 A V H > S+ 0 0 1 44,-1.8 4,-3.5 41,-0.5 42,-0.2 0.772 107.1 65.4 -56.8 -29.5 42.0 37.8 10.0 92 219 A Y H > S+ 0 0 83 40,-0.7 4,-1.7 43,-0.4 -1,-0.2 0.987 107.1 39.6 -54.5 -60.2 43.3 35.7 12.9 93 220 A R H >> S+ 0 0 133 2,-0.3 4,-1.5 1,-0.2 3,-1.2 0.965 116.3 49.0 -53.9 -59.4 40.0 33.8 12.8 94 221 A E H 3X S+ 0 0 51 -4,-2.5 4,-1.9 1,-0.3 3,-0.4 0.876 113.2 51.0 -48.1 -38.5 40.0 33.8 9.0 95 222 A L H 3< S+ 0 0 6 -4,-3.5 -1,-0.3 -5,-0.2 -2,-0.3 0.764 108.6 48.8 -72.1 -27.4 43.6 32.6 9.3 96 223 A Q H << S+ 0 0 108 -4,-1.7 -1,-0.2 -3,-1.2 -2,-0.2 0.582 111.9 51.5 -88.9 -8.8 42.7 29.8 11.7 97 224 A K H < S+ 0 0 175 -4,-1.5 -2,-0.2 -3,-0.4 -3,-0.1 0.904 115.6 35.0 -90.2 -51.4 39.9 28.6 9.5 98 225 A L S < S- 0 0 88 -4,-1.9 2,-2.9 -5,-0.2 -2,-0.1 0.245 97.3-136.4 -87.9 14.2 41.7 28.3 6.1 99 226 A S S S+ 0 0 81 -5,-0.1 2,-0.3 -4,-0.1 -1,-0.2 -0.375 78.8 6.3 67.7 -72.9 44.9 27.1 7.8 100 227 A K S S- 0 0 78 -2,-2.9 87,-0.2 -3,-0.1 86,-0.1 -0.996 81.1-114.6-141.5 144.0 47.1 29.4 5.6 101 228 A F - 0 0 3 85,-1.3 -6,-0.0 -2,-0.3 -7,-0.0 -0.313 29.1-121.4 -73.8 161.2 46.2 32.0 3.0 102 229 A D - 0 0 69 1,-0.0 4,-0.3 -2,-0.0 -1,-0.1 0.255 37.0 -92.3 -77.9-149.8 47.1 31.6 -0.7 103 230 A E S > S+ 0 0 68 3,-0.1 4,-1.6 2,-0.1 5,-0.4 0.708 118.8 51.9-103.0 -29.6 49.3 34.0 -2.5 104 231 A Q H > S+ 0 0 131 2,-0.2 4,-3.1 3,-0.2 5,-0.3 0.995 115.8 41.6 -66.9 -60.6 46.7 36.4 -4.0 105 232 A R H > S+ 0 0 41 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.795 119.6 42.8 -53.2 -42.0 45.1 37.0 -0.6 106 233 A T H > S+ 0 0 0 -4,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.818 118.0 43.6 -77.5 -35.6 48.3 37.2 1.5 107 234 A A H X S+ 0 0 0 -4,-1.6 4,-1.9 2,-0.2 -2,-0.2 0.924 117.2 47.0 -73.9 -49.6 50.3 39.4 -1.0 108 235 A T H X S+ 0 0 20 -4,-3.1 4,-2.5 -5,-0.4 3,-0.4 0.958 111.0 51.7 -56.8 -51.9 47.3 41.6 -1.5 109 236 A Y H >X S+ 0 0 9 -4,-1.9 4,-2.7 -5,-0.3 3,-0.6 0.958 108.4 52.4 -49.4 -57.3 46.7 41.8 2.2 110 237 A I H 3X S+ 0 0 2 -4,-2.1 4,-2.9 1,-0.3 -1,-0.3 0.833 110.0 47.4 -47.7 -41.4 50.2 42.8 2.8 111 238 A T H 3X S+ 0 0 19 -4,-1.9 4,-1.9 -3,-0.4 -1,-0.3 0.843 111.3 51.4 -73.6 -30.1 50.0 45.6 0.2 112 239 A E H S+ 0 0 3 -4,-0.8 5,-0.7 -5,-0.3 -1,-0.2 0.966 109.3 43.4 -73.8 -58.7 50.6 56.4 8.8 121 248 A H H ><5S+ 0 0 17 -4,-3.5 3,-2.5 3,-0.2 -2,-0.2 0.937 112.7 55.6 -53.1 -48.4 54.3 56.9 8.5 122 249 A S H 3<5S+ 0 0 83 -4,-3.4 -1,-0.2 1,-0.3 -2,-0.2 0.955 110.5 42.6 -48.8 -59.0 53.6 60.0 6.4 123 250 A K T 3<5S- 0 0 71 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.239 124.2-112.5 -76.5 20.5 51.4 61.5 9.1 124 251 A R T < 5S+ 0 0 207 -3,-2.5 2,-0.3 1,-0.2 -3,-0.2 0.953 70.6 130.6 45.8 74.8 54.1 60.3 11.5 125 252 A V < - 0 0 26 -5,-0.7 2,-0.7 -8,-0.2 -1,-0.2 -0.902 41.0-156.5-152.0 116.1 52.6 57.6 13.6 126 253 A I - 0 0 50 -2,-0.3 46,-0.0 1,-0.1 47,-0.0 -0.892 11.5-158.8 -98.3 114.1 54.5 54.4 14.0 127 254 A H + 0 0 22 -2,-0.7 48,-0.1 1,-0.1 -1,-0.1 0.297 13.5 178.9 -71.0-147.5 52.0 51.7 14.9 128 255 A R + 0 0 160 47,-0.1 -1,-0.1 46,-0.1 -2,-0.0 0.283 58.1 78.6 164.1 -11.4 53.5 48.7 16.5 129 256 A D + 0 0 53 5,-0.1 5,-0.1 31,-0.0 30,-0.0 0.927 54.0 132.6 -90.2 -45.5 50.6 46.4 17.2 130 257 A I + 0 0 7 4,-0.1 52,-0.1 3,-0.1 5,-0.1 0.414 19.4 118.2 -18.0 123.0 49.8 44.7 14.0 131 258 A K S > S- 0 0 40 1,-0.1 3,-1.3 50,-0.1 -39,-0.1 -0.898 81.1 -73.0-172.1 169.7 49.3 40.9 13.9 132 259 A P G > S+ 0 0 1 0, 0.0 3,-1.6 0, 0.0 -40,-0.7 0.891 128.3 56.1 -42.4 -51.5 46.2 38.8 13.0 133 260 A E G 3 S+ 0 0 82 1,-0.3 -3,-0.1 -42,-0.2 -40,-0.0 0.727 109.2 43.8 -54.0 -33.5 44.4 39.7 16.2 134 261 A N G < S+ 0 0 15 -3,-1.3 12,-2.2 -5,-0.1 2,-0.4 -0.030 99.8 85.5-106.7 30.9 44.6 43.4 15.7 135 262 A L E < - J 0 145B 0 -3,-1.6 -44,-1.8 10,-0.2 -43,-0.4 -0.992 60.6-164.6-132.8 122.6 43.6 43.4 12.0 136 263 A L E -IJ 90 144B 43 8,-4.3 8,-1.1 -2,-0.4 2,-0.5 -0.631 14.0-123.2-111.8 167.5 39.9 43.3 10.9 137 264 A L E - J 0 143B 2 -48,-2.6 -49,-1.5 -51,-0.4 -48,-0.4 -0.907 20.8-160.8-114.4 129.6 37.9 42.5 7.7 138 265 A G > - 0 0 1 4,-2.2 3,-2.3 -2,-0.5 4,-0.1 -0.223 45.9 -68.1 -94.3-173.0 35.5 44.8 5.9 139 266 A S T 3 S+ 0 0 112 1,-0.3 -53,-0.0 2,-0.2 -2,-0.0 0.815 130.7 40.2 -40.3 -49.5 32.6 44.2 3.4 140 267 A A T 3 S- 0 0 89 3,-0.1 -1,-0.3 1,-0.0 3,-0.1 0.171 123.7 -93.2 -95.6 21.6 34.9 43.1 0.5 141 268 A G S < S+ 0 0 23 -3,-2.3 -2,-0.2 1,-0.2 2,-0.1 0.735 82.0 151.8 75.3 17.5 37.4 41.0 2.5 142 269 A E - 0 0 56 -4,-0.1 -4,-2.2 1,-0.1 -1,-0.2 -0.359 44.6-105.6 -77.5 161.8 39.4 44.2 2.7 143 270 A L E - J 0 137B 1 -6,-0.2 2,-0.3 -2,-0.1 -6,-0.2 -0.499 31.3-179.6 -95.1 160.2 41.7 44.9 5.6 144 271 A K E - J 0 136B 9 -8,-1.1 -8,-4.3 -2,-0.2 2,-0.4 -0.911 16.5-145.2-156.9 125.5 41.4 47.2 8.6 145 272 A I E -hJ 66 135B 6 -80,-0.8 -78,-1.4 -2,-0.3 2,-0.3 -0.752 12.6-172.8 -96.2 143.4 43.9 47.8 11.5 146 273 A A + 0 0 2 -12,-2.2 2,-0.8 -2,-0.4 -78,-0.0 -0.759 5.7 176.4-137.2 91.7 42.6 48.4 15.0 147 274 A D + 0 0 7 -2,-0.3 2,-0.2 -80,-0.1 -89,-0.1 -0.841 33.2 111.5-102.7 104.1 45.2 49.4 17.6 148 275 A F S S- 0 0 13 -2,-0.8 -2,-0.0 1,-0.1 -97,-0.0 -0.566 70.4 -72.9-142.0-158.0 43.6 50.2 21.0 149 276 A G + 0 0 31 -2,-0.2 2,-0.3 1,-0.1 -1,-0.1 0.997 63.5 132.2 -73.0 -80.7 43.2 49.0 24.6 150 277 A W 0 0 70 -131,-0.1 -133,-1.9 -135,-0.0 -132,-0.5 -0.558 360.0 360.0 80.5-131.5 40.9 45.7 25.1 151 278 A S 0 0 113 -2,-0.3 -136,-0.1 -135,-0.2 0, 0.0 -0.150 360.0 360.0-126.8 360.0 41.5 42.5 27.1 152 ! 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 0.0 153 289 A L > 0 0 173 0, 0.0 3,-0.7 0, 0.0 43,-0.1 0.000 360.0 360.0 360.0 116.9 51.7 30.8 23.2 154 290 A C G > + 0 0 11 42,-0.5 3,-1.9 41,-0.3 4,-0.2 0.648 360.0 131.1 -39.4 -7.3 54.5 33.2 23.2 155 291 A G G 3> + 0 0 20 1,-0.3 4,-0.8 2,-0.2 -1,-0.3 0.571 61.7 75.4 -9.4 -37.7 52.4 35.2 20.7 156 292 A T G <4 S+ 0 0 87 -3,-0.7 4,-0.4 2,-0.1 3,-0.3 0.971 114.0 15.9 -44.7 -65.3 53.3 38.0 23.1 157 293 A L T X4 S+ 0 0 14 -3,-1.9 3,-2.4 1,-0.2 -2,-0.2 0.940 102.9 91.3 -76.6 -52.0 56.9 38.1 21.7 158 294 A D T 34 S+ 0 0 4 1,-0.3 35,-0.2 -4,-0.2 -1,-0.2 0.582 97.9 37.8 -15.9 -41.1 56.4 36.2 18.4 159 295 A Y T 3< S+ 0 0 14 -4,-0.8 -1,-0.3 -3,-0.3 -2,-0.2 0.778 90.9 100.2 -91.9 -31.2 55.7 39.5 16.7 160 296 A L < - 0 0 48 -3,-2.4 -31,-0.0 -4,-0.4 3,-0.0 -0.096 69.7-120.6 -57.1 153.5 58.1 42.0 18.3 161 297 A P >> - 0 0 14 0, 0.0 3,-2.9 0, 0.0 4,-1.6 -0.728 23.7-110.7 -97.1 147.7 61.3 43.0 16.5 162 298 A P H 3> S+ 0 0 0 0, 0.0 4,-2.6 0, 0.0 6,-0.3 0.894 113.3 68.0 -40.0 -56.8 64.8 42.6 18.0 163 299 A E H 34 S+ 0 0 6 67,-0.3 11,-0.0 1,-0.2 -3,-0.0 0.675 112.4 33.1 -40.9 -21.1 65.3 46.3 18.4 164 300 A M H X4 S+ 0 0 75 -3,-2.9 3,-4.1 3,-0.2 -1,-0.2 0.839 112.9 51.3-106.0 -51.9 62.5 46.2 21.1 165 301 A I H 3< S+ 0 0 29 -4,-1.6 -2,-0.2 1,-0.3 37,-0.1 0.782 110.2 56.5 -58.9 -22.0 62.6 42.9 22.9 166 302 A E T 3< S- 0 0 80 -4,-2.6 -1,-0.3 -5,-0.3 -2,-0.1 0.240 115.3-126.3 -88.1 9.9 66.2 43.8 23.3 167 303 A G < + 0 0 65 -3,-4.1 -3,-0.2 -5,-0.2 -2,-0.1 0.336 66.7 135.8 62.2 -7.6 64.9 47.0 24.9 168 304 A R - 0 0 156 -6,-0.3 2,-0.4 1,-0.2 -1,-0.1 0.334 64.5 -73.4 -54.8-169.6 67.0 48.9 22.4 169 305 A M + 0 0 166 -3,-0.1 2,-0.3 0, 0.0 -1,-0.2 -0.809 53.2 176.8 -99.4 134.5 65.9 51.9 20.5 170 306 A H + 0 0 35 -2,-0.4 2,-0.0 -3,-0.1 -6,-0.0 -0.959 7.8 164.7-136.8 154.8 63.5 51.6 17.6 171 307 A D - 0 0 102 -2,-0.3 3,-0.4 0, 0.0 4,-0.2 0.172 62.5 -31.5-130.8-117.3 61.6 53.8 15.2 172 308 A E S > S+ 0 0 76 1,-0.2 3,-1.8 2,-0.1 4,-0.3 0.825 114.5 77.3 -84.9 -37.9 59.7 53.5 11.9 173 309 A K T 3> S+ 0 0 29 1,-0.3 4,-0.7 2,-0.2 3,-0.2 0.456 80.5 74.5 -51.4 -5.6 61.8 50.7 10.5 174 310 A V H >> S+ 0 0 8 -3,-0.4 4,-2.9 1,-0.2 3,-0.6 0.870 79.3 66.8 -80.9 -37.8 59.8 48.3 12.7 175 311 A D H <4 S+ 0 0 3 -3,-1.8 -1,-0.2 1,-0.3 4,-0.2 0.707 99.2 56.1 -57.8 -16.6 56.6 48.3 10.8 176 312 A L H 3> S+ 0 0 11 -4,-0.3 4,-1.2 -3,-0.2 -1,-0.3 0.892 108.7 44.2 -80.7 -42.7 58.6 46.6 8.1 177 313 A W H XX S+ 0 0 2 -4,-0.7 3,-1.5 -3,-0.6 4,-1.5 0.978 113.3 49.8 -64.8 -55.4 59.7 43.7 10.4 178 314 A S H 3X S+ 0 0 11 -4,-2.9 4,-1.1 1,-0.3 -1,-0.3 0.766 111.2 54.0 -52.3 -23.3 56.2 43.4 11.9 179 315 A L H 3> S+ 0 0 4 -5,-0.4 4,-1.4 48,-0.2 -1,-0.3 0.729 105.0 53.0 -84.0 -24.2 55.3 43.3 8.2 180 316 A G H S+ 0 0 96 -2,-0.3 4,-1.0 1,-0.2 5,-0.2 0.882 117.8 49.6 -46.5 -42.0 59.8 32.9 25.5 199 335 A Q H >> S+ 0 0 119 1,-0.2 2,-3.2 2,-0.2 4,-1.5 0.987 101.7 59.0 -61.4 -63.0 63.5 32.2 25.9 200 336 A E H 34 S+ 0 0 71 1,-0.2 -1,-0.2 2,-0.1 -3,-0.0 -0.426 106.3 54.5 -67.0 74.6 63.7 29.9 22.9 201 337 A T H 3> S+ 0 0 0 -2,-3.2 4,-5.4 -3,-0.1 -1,-0.2 0.130 97.8 49.9-171.5 -51.1 62.4 32.7 20.7 202 338 A Y H S+ 0 0 80 -3,-1.0 5,-1.7 -4,-1.0 4,-1.3 0.956 109.6 60.8 -63.2 -45.2 64.6 35.8 21.1 203 339 A K H <5S+ 0 0 106 -4,-1.5 -1,-0.3 1,-0.3 -3,-0.1 0.865 117.1 28.6 -42.8 -41.0 67.1 33.2 20.5 204 340 A R H 4>S+ 0 0 93 -5,-0.3 5,-3.9 -11,-0.2 -2,-0.3 0.780 126.9 46.0 -93.4 -30.4 65.3 32.8 17.2 205 341 A I H <5S+ 0 0 0 -4,-5.4 -3,-0.2 3,-0.3 -2,-0.2 0.987 122.9 30.1 -74.7 -65.6 64.0 36.4 16.9 206 342 A S T <5S+ 0 0 23 -4,-1.3 -3,-0.2 1,-0.3 -2,-0.1 0.967 126.3 45.9 -59.8 -49.6 67.0 38.4 17.7 207 343 A R T - 0 0 38 0, 0.0 2,-3.1 0, 0.0 3,-1.3 -0.532 42.5 -90.8 -83.1 150.1 58.5 25.0 4.3 214 350 A D T 3 S+ 0 0 170 1,-0.2 -2,-0.0 -2,-0.2 0, 0.0 -0.260 115.9 32.2 -55.8 67.0 58.9 22.9 1.1 215 351 A F T 3 + 0 0 101 -2,-3.1 -1,-0.2 1,-0.3 3,-0.1 0.252 69.4 124.5 173.0 -33.8 56.6 25.1 -1.1 216 352 A V S < S- 0 0 9 -3,-1.3 -1,-0.3 1,-0.1 5,-0.1 -0.308 73.5-102.3 -53.8 129.3 56.5 28.8 -0.3 217 353 A T >> - 0 0 40 1,-0.2 4,-2.2 2,-0.1 3,-0.8 -0.108 21.6-128.4 -48.5 150.4 57.4 30.5 -3.5 218 354 A E H 3> S+ 0 0 148 1,-0.2 4,-0.8 2,-0.2 5,-0.2 0.641 107.4 70.2 -80.4 -12.1 60.9 31.7 -3.6 219 355 A G H 3> S+ 0 0 21 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.673 106.8 40.1 -73.2 -16.8 59.6 35.1 -4.6 220 356 A A H <>>S+ 0 0 2 -3,-0.8 4,-3.5 2,-0.2 5,-0.5 0.870 103.6 65.8 -89.6 -58.1 58.3 35.2 -1.0 221 357 A R H X5S+ 0 0 75 -4,-2.2 4,-0.8 1,-0.3 -2,-0.2 0.703 116.2 31.5 -36.2 -26.7 61.4 33.6 0.4 222 358 A D H X5S+ 0 0 68 -4,-0.8 4,-0.8 2,-0.2 -1,-0.3 0.749 112.7 56.5-106.8 -35.7 63.1 36.8 -0.7 223 359 A L H <5S+ 0 0 3 -4,-1.1 -2,-0.2 2,-0.2 -3,-0.2 0.941 118.1 41.0 -59.8 -39.0 60.5 39.5 -0.4 224 360 A I H >X5S+ 0 0 7 -4,-3.5 3,-5.8 1,-0.2 4,-1.5 0.970 108.6 54.0 -72.5 -54.7 60.3 38.2 3.2 225 361 A S H 3< S- 0 0 65 1,-0.2 3,-1.5 -3,-0.1 4,-0.2 -0.554 71.8-157.7 -71.3 109.4 69.6 45.7 11.3 232 368 A P G > S+ 0 0 43 0, 0.0 3,-0.7 0, 0.0 -1,-0.2 0.746 92.1 53.8 -58.9 -26.9 66.5 48.0 11.2 233 369 A S G 3 S+ 0 0 102 1,-0.2 -2,-0.1 -3,-0.0 -3,-0.1 0.604 95.0 68.0 -85.1 -13.0 68.1 50.3 8.7 234 370 A Q G < S+ 0 0 113 -3,-1.5 -1,-0.2 -5,-0.1 -4,-0.1 0.401 83.5 101.5 -84.4 2.2 68.8 47.4 6.2 235 371 A R S < S- 0 0 41 -3,-0.7 -8,-0.1 -4,-0.2 -58,-0.1 -0.718 81.2 -98.6 -97.3 140.6 65.1 46.9 5.6 236 372 A P - 0 0 12 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.086 35.8-126.6 -50.3 140.4 63.1 48.1 2.6 237 373 A M > - 0 0 80 -61,-0.0 4,-0.6 4,-0.0 3,-0.4 -0.451 44.5 -78.0 -84.4 165.3 61.1 51.3 3.0 238 374 A L H >> S+ 0 0 66 1,-0.2 3,-1.1 2,-0.2 4,-0.8 0.799 122.9 52.7 -20.9 -85.6 57.5 51.3 2.2 239 375 A R H 3> S+ 0 0 164 1,-0.2 4,-2.5 2,-0.2 3,-0.3 0.762 93.0 71.8 -24.3 -67.4 57.5 51.5 -1.6 240 376 A E H 34 S+ 0 0 60 -3,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.744 100.7 42.5 -27.1 -63.6 59.8 48.6 -2.2 241 377 A V H X< S+ 0 0 2 -3,-1.1 3,-4.9 -4,-0.6 6,-0.4 0.960 112.9 51.3 -54.4 -56.3 57.3 45.8 -1.2 242 378 A L H 3< S+ 0 0 48 -4,-0.8 6,-0.3 -3,-0.3 -1,-0.3 0.894 118.5 42.3 -43.2 -40.9 54.4 47.5 -3.0 243 379 A E T 3< S+ 0 0 114 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.3 0.084 92.3 122.8 -91.6 17.6 56.9 47.5 -5.8 244 380 A H S <> S- 0 0 3 -3,-4.9 4,-1.6 -5,-0.3 3,-0.3 -0.685 74.0-119.5 -89.7 141.6 58.1 44.0 -5.1 245 381 A P T 4 S+ 0 0 101 0, 0.0 -1,-0.1 0, 0.0 -26,-0.1 0.471 114.6 47.3 -50.9 -4.1 57.9 41.3 -7.9 246 382 A W T 4 S+ 0 0 10 -5,-0.2 4,-0.4 -27,-0.1 -139,-0.1 0.817 105.5 50.5-109.4 -47.2 55.7 39.5 -5.6 247 383 A I T 4 S+ 0 0 4 -6,-0.4 -5,-0.1 -3,-0.3 -4,-0.1 0.991 107.1 61.5 -52.3 -66.7 53.1 42.0 -4.3 248 384 A T S < S+ 0 0 69 -4,-1.6 2,-0.7 -7,-0.4 4,-0.1 -0.298 106.4 31.6 -56.2 150.4 52.5 43.0 -7.9 249 385 A A S S+ 0 0 84 2,-0.1 2,-0.5 -142,-0.0 -3,-0.1 -0.881 122.2 40.9 95.3-111.9 51.1 40.0 -9.8 250 386 A N S S+ 0 0 42 -2,-0.7 2,-0.2 -4,-0.4 -146,-0.0 -0.595 102.9 90.4 -65.4 120.2 49.1 38.0 -7.1 251 387 A S 0 0 22 1,-0.6 -2,-0.1 -2,-0.5 -146,-0.1 -0.761 360.0 360.0 160.1 155.8 47.6 41.1 -5.4 252 388 A S 0 0 141 -2,-0.2 -1,-0.6 -148,-0.2 -144,-0.1 0.466 360.0 360.0 54.7 360.0 44.4 43.3 -5.6