==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-SEP-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 20-JAN-12 4DED . COMPND 2 MOLECULE: AURORA KINASE A; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.P.MARTIN,J.-Y.ZHU,E.SCHONBRUNN . 265 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13192.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 166 62.6 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 . 40 15.1 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 . 1 0.4 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 . 11 4.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 77 29.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.9 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 2 0 1 1 1 1 1 0 0 1 0 1 0 0 0 0 1 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 . 2 1 1 0 2 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 ANTIPARALLEL BRIDGES PER LADDER . 1 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 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 1 124 A K 0 0 132 0, 0.0 74,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 100.0 -5.1 -20.5 25.8 2 125 A K + 0 0 224 1,-0.0 2,-0.3 0, 0.0 0, 0.0 0.666 360.0 48.3 -99.3 -23.9 -2.5 -20.3 28.5 3 126 A R - 0 0 114 0, 0.0 2,-0.4 0, 0.0 -1,-0.0 -0.797 65.6-150.7-118.6 159.9 0.4 -19.7 26.1 4 127 A Q - 0 0 114 -2,-0.3 2,-0.1 71,-0.1 73,-0.1 -0.999 17.4-166.1-131.7 128.9 1.1 -17.3 23.2 5 128 A W - 0 0 55 71,-0.5 2,-0.3 -2,-0.4 71,-0.0 -0.332 9.1-147.0-104.9-172.7 3.4 -18.1 20.2 6 129 A A > - 0 0 35 -2,-0.1 3,-4.0 71,-0.1 4,-0.3 -0.977 37.2-104.5-154.3 147.4 5.0 -16.3 17.4 7 130 A L G > S+ 0 0 57 1,-0.3 3,-1.0 -2,-0.3 5,-0.1 0.742 120.1 66.1 -47.4 -21.4 5.9 -17.3 13.8 8 131 A E G 3 S+ 0 0 140 1,-0.2 -1,-0.3 3,-0.1 22,-0.1 0.675 82.8 71.4 -76.8 -17.4 9.4 -17.5 15.2 9 132 A D G < S+ 0 0 33 -3,-4.0 21,-1.7 21,-0.1 22,-0.4 0.445 99.5 62.3 -78.2 4.8 8.6 -20.4 17.5 10 133 A F E < -A 29 0A 6 -3,-1.0 2,-0.5 -4,-0.3 19,-0.2 -0.821 66.9-143.1-130.5 167.1 8.4 -22.6 14.5 11 134 A E E -A 28 0A 100 17,-1.0 17,-0.8 -2,-0.3 2,-0.2 -0.964 32.3-140.2-126.0 104.1 10.3 -24.0 11.5 12 135 A I E -A 27 0A 78 -2,-0.5 15,-0.2 15,-0.2 2,-0.1 -0.463 23.8-175.9 -71.5 138.4 7.9 -24.1 8.6 13 136 A G E - 0 0 38 13,-4.0 -1,-0.1 1,-0.3 3,-0.1 -0.032 41.4 -23.5-109.4-145.1 8.2 -27.2 6.4 14 137 A R E S- 0 0 148 11,-0.1 12,-2.4 1,-0.1 -1,-0.3 -0.297 70.4 -99.5 -71.3 152.2 6.6 -28.2 3.2 15 138 A P E -A 25 0A 81 0, 0.0 10,-0.3 0, 0.0 -1,-0.1 -0.499 30.2-169.8 -71.7 133.4 3.2 -26.8 2.0 16 139 A L E - 0 0 59 8,-4.4 2,-0.3 1,-0.3 9,-0.2 0.850 46.2 -85.1 -94.0 -41.5 0.3 -29.1 2.7 17 140 A G E +A 24 0A 32 7,-1.0 7,-1.5 2,-0.0 -1,-0.3 -0.973 68.0 106.8 171.5-155.5 -2.5 -27.4 0.7 18 141 A K - 0 0 110 -2,-0.3 6,-0.1 5,-0.2 5,-0.1 0.171 37.3-152.3 67.2 172.6 -5.3 -24.9 0.4 19 142 A G + 0 0 34 4,-0.1 3,-0.2 3,-0.1 -2,-0.0 0.366 63.7 29.6-139.1 -86.7 -5.2 -21.7 -1.7 20 143 A K S S+ 0 0 168 1,-0.2 22,-0.2 21,-0.0 3,-0.1 0.710 115.8 49.2 -67.4 -28.6 -6.9 -18.3 -1.4 21 144 A F S S- 0 0 80 1,-0.5 21,-1.7 20,-0.1 2,-0.3 0.826 129.5 -82.3 -77.7 -26.9 -7.4 -17.9 2.4 22 145 A G - 0 0 5 19,-0.2 -1,-0.5 -3,-0.2 2,-0.2 -0.882 52.8 -77.9 149.4-175.7 -3.8 -18.8 2.7 23 146 A N - 0 0 59 17,-0.5 17,-3.1 -2,-0.3 2,-0.5 -0.677 28.2-126.3-114.3 169.9 -1.8 -22.1 2.8 24 147 A V E -AB 17 39A 18 -7,-1.5 -8,-4.4 15,-0.3 -7,-1.0 -0.966 27.3-167.5-117.3 128.1 -1.2 -24.8 5.3 25 148 A Y E -AB 15 38A 51 13,-1.8 13,-2.6 -2,-0.5 2,-0.3 -0.813 28.8-112.2-118.1 156.0 2.4 -25.9 6.2 26 149 A L E - B 0 37A 45 -12,-2.4 -13,-4.0 -2,-0.3 2,-0.3 -0.646 47.8-167.1 -75.8 136.6 4.0 -28.7 8.0 27 150 A A E -AB 12 36A 2 9,-3.5 9,-2.0 -2,-0.3 2,-0.4 -0.919 22.0-154.1-131.9 160.3 5.5 -27.1 11.1 28 151 A R E -AB 11 35A 107 -17,-0.8 -17,-1.0 -2,-0.3 2,-0.7 -0.958 19.7-135.4-136.1 112.4 8.0 -28.0 13.8 29 152 A E E >> -AB 10 34A 12 5,-2.8 4,-3.8 -2,-0.4 5,-0.7 -0.577 17.4-148.7 -69.7 112.1 7.8 -26.3 17.3 30 153 A K T 45S+ 0 0 109 -21,-1.7 -1,-0.2 -2,-0.7 -20,-0.1 0.882 89.6 50.4 -49.2 -53.1 11.5 -25.5 18.0 31 154 A Q T 45S+ 0 0 160 -22,-0.4 -1,-0.2 1,-0.2 -21,-0.1 0.962 129.0 19.2 -51.3 -59.9 11.3 -25.8 21.8 32 155 A S T 45S- 0 0 65 2,-0.1 -2,-0.2 1,-0.0 -1,-0.2 0.688 94.5-126.0 -87.4 -24.0 9.7 -29.2 21.8 33 156 A K T <5 + 0 0 142 -4,-3.8 2,-0.3 1,-0.3 -3,-0.2 0.686 52.6 165.5 78.5 22.5 10.4 -30.5 18.3 34 157 A F E < -B 29 0A 98 -5,-0.7 -5,-2.8 -6,-0.1 2,-0.3 -0.534 30.6-138.1 -74.4 126.9 6.7 -31.1 18.0 35 158 A I E +B 28 0A 76 -2,-0.3 54,-0.3 -7,-0.2 2,-0.3 -0.627 40.4 132.4 -86.8 146.5 5.3 -31.7 14.5 36 159 A L E -B 27 0A 7 -9,-2.0 -9,-3.5 -2,-0.3 2,-0.3 -0.970 51.6 -85.6-172.5 178.7 2.0 -30.0 13.5 37 160 A A E -BC 26 87A 5 50,-2.3 50,-2.9 -2,-0.3 2,-0.5 -0.813 24.9-159.1-105.4 145.0 0.2 -28.0 10.8 38 161 A L E -BC 25 86A 1 -13,-2.6 -13,-1.8 -2,-0.3 2,-0.7 -0.867 5.3-164.4-127.0 95.2 0.3 -24.2 10.5 39 162 A K E -BC 24 85A 29 46,-1.7 46,-2.1 -2,-0.5 2,-0.6 -0.720 12.1-158.7 -80.7 116.3 -2.7 -22.8 8.5 40 163 A V E - C 0 84A 4 -17,-3.1 -17,-0.5 -2,-0.7 2,-0.4 -0.876 9.2-172.5-106.0 117.4 -1.7 -19.2 7.7 41 164 A L E - C 0 83A 12 42,-3.1 42,-3.0 -2,-0.6 2,-0.4 -0.834 20.2-128.3-108.5 142.3 -4.5 -16.8 6.8 42 165 A F E >> - C 0 82A 75 -21,-1.7 4,-2.1 -2,-0.4 3,-0.5 -0.755 6.6-143.4 -90.5 129.6 -4.1 -13.2 5.4 43 166 A K H 3> S+ 0 0 50 38,-1.2 4,-2.4 -2,-0.4 5,-0.3 0.891 100.5 66.2 -56.0 -39.7 -5.9 -10.4 7.2 44 167 A A H 3> S+ 0 0 50 37,-0.6 4,-1.7 1,-0.2 -1,-0.2 0.921 108.2 38.4 -45.8 -52.6 -6.4 -8.8 3.8 45 168 A Q H <> S+ 0 0 76 -3,-0.5 4,-2.1 2,-0.2 5,-0.2 0.927 113.4 55.6 -65.5 -50.2 -8.7 -11.7 2.8 46 169 A L H X>S+ 0 0 16 -4,-2.1 5,-1.4 2,-0.2 4,-1.4 0.955 112.8 40.0 -46.3 -66.6 -10.3 -12.1 6.2 47 170 A E H ><5S+ 0 0 129 -4,-2.4 3,-1.9 1,-0.2 -2,-0.2 0.958 116.1 48.0 -49.1 -67.2 -11.6 -8.5 6.5 48 171 A K H 3<5S+ 0 0 189 -4,-1.7 -1,-0.2 -5,-0.3 -2,-0.2 0.739 119.5 41.6 -49.9 -27.3 -12.6 -8.1 2.8 49 172 A A H 3<5S- 0 0 60 -4,-2.1 -1,-0.3 -3,-0.5 -2,-0.2 0.579 103.7-137.3 -95.9 -13.1 -14.5 -11.4 3.1 50 173 A G T <<5 + 0 0 27 -3,-1.9 3,-0.3 -4,-1.4 -3,-0.2 0.940 55.7 140.6 56.4 52.4 -15.8 -10.6 6.5 51 174 A V >>< + 0 0 16 -5,-1.4 4,-2.1 1,-0.2 3,-1.1 0.390 22.1 124.0-102.3 1.4 -15.1 -14.0 8.0 52 175 A E H 3> S+ 0 0 67 -6,-0.3 4,-1.1 1,-0.3 -1,-0.2 0.715 78.4 44.9 -31.1 -35.8 -14.0 -12.6 11.3 53 176 A H H 3> S+ 0 0 64 -3,-0.3 4,-3.4 2,-0.2 -1,-0.3 0.873 107.5 52.1 -84.2 -40.5 -16.7 -14.8 12.9 54 177 A Q H <> S+ 0 0 41 -3,-1.1 4,-3.2 2,-0.2 -2,-0.2 0.906 114.0 47.4 -61.2 -40.1 -16.2 -18.1 11.2 55 178 A L H X S+ 0 0 25 -4,-2.1 4,-2.7 2,-0.2 5,-0.3 0.911 113.1 47.7 -64.9 -43.6 -12.5 -17.8 12.1 56 179 A R H X S+ 0 0 166 -4,-1.1 4,-1.8 -5,-0.4 -2,-0.2 0.898 114.3 47.7 -63.5 -40.2 -13.6 -16.9 15.7 57 180 A R H X S+ 0 0 52 -4,-3.4 4,-2.5 2,-0.2 5,-0.4 0.899 112.5 48.5 -66.6 -43.9 -16.0 -19.9 15.6 58 181 A E H X S+ 0 0 18 -4,-3.2 4,-1.3 1,-0.2 5,-0.3 0.985 117.9 38.8 -59.9 -59.5 -13.4 -22.2 14.2 59 182 A V H < S+ 0 0 20 -4,-2.7 4,-0.3 3,-0.2 -1,-0.2 0.813 119.6 54.3 -59.6 -31.1 -10.7 -21.2 16.8 60 183 A E H >X S+ 0 0 118 -4,-1.8 4,-1.2 -5,-0.3 3,-1.1 0.995 118.4 25.2 -62.8 -80.8 -13.5 -21.1 19.3 61 184 A I H >X S+ 0 0 13 -4,-2.5 4,-1.2 1,-0.2 3,-1.0 0.958 120.2 53.1 -49.5 -69.9 -15.1 -24.5 19.0 62 185 A Q H 3< S+ 0 0 1 -4,-1.3 11,-1.1 -5,-0.4 -1,-0.2 0.574 103.2 63.0 -49.7 -11.7 -12.2 -26.6 17.7 63 186 A S H <4 S+ 0 0 30 -3,-1.1 -1,-0.3 -4,-0.3 10,-0.2 0.942 115.2 27.5 -77.6 -52.5 -10.2 -25.3 20.7 64 187 A H H << S+ 0 0 142 -4,-1.2 -2,-0.2 -3,-1.0 -3,-0.1 0.995 97.9 90.0 -71.7 -73.1 -12.4 -26.8 23.3 65 188 A L < - 0 0 5 -4,-1.2 2,-0.4 1,-0.1 8,-0.3 0.111 56.8-174.7 -28.2 126.6 -13.9 -29.9 21.5 66 189 A R + 0 0 139 6,-0.1 -1,-0.1 3,-0.0 5,-0.1 -0.932 21.7 131.6-139.4 112.4 -11.5 -32.8 22.2 67 190 A H > - 0 0 36 -2,-0.4 3,-1.6 3,-0.4 53,-0.0 -0.970 60.7-114.8-156.1 149.2 -12.2 -36.1 20.5 68 191 A P T 3 S+ 0 0 86 0, 0.0 4,-0.1 0, 0.0 78,-0.1 0.555 115.9 47.4 -67.0 -9.5 -10.0 -38.6 18.6 69 192 A N T 3 S+ 0 0 17 79,-0.1 80,-3.3 47,-0.1 2,-0.4 0.120 98.9 80.8-117.2 18.0 -11.9 -38.1 15.4 70 193 A I B < S-e 149 0B 2 -3,-1.6 -3,-0.4 78,-0.3 2,-0.3 -0.988 85.5-117.7-124.0 132.5 -11.9 -34.3 15.6 71 194 A L - 0 0 3 78,-4.2 2,-0.1 -2,-0.4 -2,-0.1 -0.547 35.0-123.1 -72.3 132.9 -8.9 -32.3 14.5 72 195 A R - 0 0 58 -2,-0.3 16,-2.1 -4,-0.1 2,-0.5 -0.384 13.3-153.1 -80.1 151.2 -7.3 -30.4 17.3 73 196 A L E -D 87 0A 4 -11,-1.1 14,-0.2 -8,-0.3 3,-0.1 -0.996 9.9-176.7-120.0 126.1 -6.6 -26.6 17.5 74 197 A Y E - 0 0 75 12,-3.2 2,-0.3 -2,-0.5 13,-0.1 0.633 55.5 -71.7 -97.4 -19.3 -3.7 -25.8 19.8 75 198 A G E -D 86 0A 8 11,-0.8 11,-2.2 -74,-0.1 -1,-0.4 -0.975 45.5-131.0 156.5-165.4 -3.9 -22.0 19.6 76 199 A Y E -D 85 0A 85 -2,-0.3 -71,-0.5 9,-0.2 2,-0.3 -0.945 14.2-179.0-165.5-178.0 -3.2 -19.2 17.2 77 200 A F E -D 84 0A 9 7,-1.6 7,-4.0 -2,-0.3 2,-0.4 -0.894 17.4-134.2 175.9 159.3 -1.6 -15.8 16.8 78 201 A H E -D 83 0A 107 5,-0.3 5,-0.3 -2,-0.3 2,-0.1 -0.992 7.3-157.1-136.5 143.2 -1.2 -13.1 14.1 79 202 A D - 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0 0 66 -54,-0.3 -1,-0.1 -2,-0.2 -54,-0.1 -0.765 16.2-154.7 -88.7 129.2 -1.2 -32.5 11.8 90 213 A A > - 0 0 10 -2,-0.4 3,-1.5 1,-0.1 51,-0.4 -0.814 4.4-155.8-108.3 92.6 -3.0 -35.5 10.0 91 214 A P T 3 S+ 0 0 50 0, 0.0 51,-0.2 0, 0.0 -1,-0.1 0.604 84.1 53.8 -38.7 -28.8 -0.3 -37.7 8.4 92 215 A L T 3 S- 0 0 78 49,-2.4 50,-0.1 1,-0.3 6,-0.1 0.068 97.5-132.0-106.9 31.4 -2.5 -39.2 5.7 93 216 A G < - 0 0 16 -3,-1.5 48,-1.9 48,-0.2 -1,-0.3 -0.141 49.5 -27.9 61.8-154.2 -4.0 -36.1 4.0 94 217 A T B > -F 140 0B 33 46,-0.2 4,-1.2 1,-0.1 46,-0.3 -0.585 42.9-130.4 -96.7 161.0 -7.7 -35.6 3.2 95 218 A V H > S+ 0 0 0 44,-2.8 4,-2.3 41,-0.6 42,-0.2 0.769 112.3 64.7 -75.5 -28.7 -10.3 -38.3 2.6 96 219 A Y H > S+ 0 0 94 40,-1.5 4,-1.0 43,-0.5 -1,-0.2 0.863 102.6 47.7 -59.5 -39.8 -11.1 -36.1 -0.5 97 220 A R H > S+ 0 0 119 39,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.849 109.5 52.1 -70.4 -38.2 -7.6 -37.0 -1.7 98 221 A E H X S+ 0 0 18 -4,-1.2 4,-1.3 1,-0.2 5,-0.2 0.865 105.2 55.9 -65.9 -37.7 -8.0 -40.7 -1.0 99 222 A L H X S+ 0 0 13 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.834 107.9 47.3 -66.1 -32.8 -11.2 -40.8 -3.0 100 223 A Q H < S+ 0 0 122 -4,-1.0 -1,-0.2 1,-0.2 -2,-0.2 0.906 112.5 51.2 -71.3 -40.9 -9.5 -39.4 -6.0 101 224 A K H < S+ 0 0 140 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.668 127.3 22.7 -68.2 -21.1 -6.7 -42.0 -5.5 102 225 A L H < S- 0 0 71 -4,-1.3 2,-1.9 -5,-0.1 -2,-0.2 0.544 87.2-144.1-124.2 -11.8 -9.2 -44.8 -5.3 103 226 A S S < S+ 0 0 77 -4,-2.5 2,-0.3 -5,-0.2 -4,-0.1 -0.273 78.5 11.2 77.2 -52.8 -12.4 -43.5 -7.1 104 227 A K S S- 0 0 96 -2,-1.9 2,-0.3 -6,-0.1 96,-0.2 -0.946 77.6-120.6-147.7 163.5 -14.8 -45.3 -4.8 105 228 A F - 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0 0 9 0, 0.0 3,-2.2 0, 0.0 -9,-0.1 -0.456 40.2-116.7 -66.9 141.2 -22.3 -37.1 -4.3 205 328 A P T 3 S+ 0 0 7 0, 0.0 19,-0.3 0, 0.0 -11,-0.0 0.610 111.2 43.4 -51.9 -19.5 -25.9 -38.3 -4.9 206 329 A F T 3 S+ 0 0 0 -35,-0.2 12,-0.2 17,-0.1 11,-0.2 0.262 77.6 149.2-113.9 14.0 -27.2 -34.9 -6.0 207 330 A E < + 0 0 89 -3,-2.2 2,-0.2 10,-0.1 -4,-0.0 -0.170 18.3 166.1 -50.3 135.5 -24.3 -33.9 -8.2 208 331 A A - 0 0 30 1,-0.0 3,-0.1 9,-0.0 -2,-0.1 -0.798 46.1-114.4-140.6-180.0 -25.5 -31.6 -11.0 209 332 A N S S+ 0 0 156 -2,-0.2 2,-0.4 1,-0.2 3,-0.1 0.690 97.0 43.0 -96.1 -20.4 -23.8 -29.3 -13.6 210 333 A T S > S- 0 0 47 1,-0.1 4,-2.6 -3,-0.0 5,-0.2 -0.971 77.1-127.1-130.8 144.5 -25.3 -26.2 -12.2 211 334 A Y H > S+ 0 0 101 -2,-0.4 4,-2.3 1,-0.3 5,-0.2 0.929 117.1 48.4 -44.8 -53.2 -25.8 -24.8 -8.7 212 335 A Q H > S+ 0 0 136 1,-0.2 4,-1.4 2,-0.2 -1,-0.3 0.889 108.2 53.8 -55.9 -45.9 -29.4 -24.3 -9.7 213 336 A E H > S+ 0 0 86 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.890 110.2 47.4 -58.8 -42.3 -29.7 -27.8 -11.1 214 337 A T H X S+ 0 0 7 -4,-2.6 4,-3.5 1,-0.2 5,-0.2 0.907 104.5 58.4 -67.3 -43.1 -28.4 -29.3 -7.8 215 338 A Y H X S+ 0 0 86 -4,-2.3 4,-2.5 -5,-0.2 -1,-0.2 0.840 108.2 49.4 -53.7 -35.1 -30.7 -27.1 -5.6 216 339 A K H X S+ 0 0 121 -4,-1.4 4,-1.0 2,-0.2 -2,-0.2 0.981 112.0 46.3 -65.9 -60.3 -33.6 -28.8 -7.6 217 340 A R H ><>S+ 0 0 67 -4,-2.0 5,-2.5 2,-0.2 3,-0.6 0.897 117.9 43.4 -50.0 -49.9 -32.2 -32.3 -7.1 218 341 A I H ><5S+ 0 0 0 -4,-3.5 3,-3.4 1,-0.2 -2,-0.2 0.992 109.0 54.5 -61.5 -63.1 -31.6 -31.7 -3.4 219 342 A S H 3<5S+ 0 0 24 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.581 118.9 37.3 -49.3 -12.7 -34.9 -29.9 -2.6 220 343 A R T <<5S- 0 0 145 -4,-1.0 -1,-0.3 -3,-0.6 -2,-0.2 0.361 106.1-127.6-118.7 -0.4 -36.7 -32.9 -4.1 221 344 A V T < 5 + 0 0 29 -3,-3.4 2,-0.9 -4,-0.4 -3,-0.2 0.924 43.3 173.0 48.5 54.6 -34.3 -35.5 -2.7 222 345 A E < + 0 0 73 -5,-2.5 2,-0.3 -6,-0.1 -1,-0.2 -0.791 12.5 140.2 -96.1 98.2 -33.9 -37.0 -6.2 223 346 A F - 0 0 38 -2,-0.9 2,-0.2 -3,-0.1 -17,-0.1 -0.998 26.2-170.7-142.4 144.3 -31.2 -39.7 -6.1 224 347 A T - 0 0 110 -2,-0.3 -2,-0.0 -19,-0.3 0, 0.0 -0.690 20.5-117.3-122.7 176.8 -30.7 -43.1 -7.6 225 348 A F - 0 0 41 -2,-0.2 2,-0.0 4,-0.0 -28,-0.0 -0.922 13.9-125.2-124.9 146.0 -28.1 -45.9 -7.2 226 349 A P > - 0 0 34 0, 0.0 3,-0.6 0, 0.0 -25,-0.0 -0.316 41.4-106.2 -72.2 170.3 -25.6 -47.6 -9.4 227 350 A D T 3 S+ 0 0 158 1,-0.2 -2,-0.0 -2,-0.0 0, 0.0 0.849 114.2 63.6 -72.6 -28.5 -26.1 -51.3 -9.5 228 351 A F T 3 S+ 0 0 107 2,-0.1 2,-0.4 -27,-0.0 -1,-0.2 0.724 75.6 103.1 -67.4 -21.5 -23.1 -52.2 -7.3 229 352 A V S < S- 0 0 8 -3,-0.6 2,-0.0 1,-0.1 -4,-0.0 -0.504 72.1-133.8 -66.5 122.0 -24.5 -50.4 -4.3 230 353 A T > - 0 0 47 -2,-0.4 4,-2.8 1,-0.1 3,-0.2 -0.310 15.5-113.5 -74.9 159.5 -25.8 -53.1 -1.9 231 354 A E H > S+ 0 0 169 1,-0.2 4,-3.8 2,-0.2 5,-0.2 0.836 114.8 58.8 -62.3 -35.4 -29.2 -52.9 -0.2 232 355 A G H > S+ 0 0 19 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.941 111.8 41.8 -58.5 -45.9 -27.8 -52.5 3.2 233 356 A A H > S+ 0 0 1 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.946 114.3 51.3 -65.3 -50.6 -26.0 -49.4 2.0 234 357 A R H X S+ 0 0 76 -4,-2.8 4,-3.4 2,-0.2 5,-0.3 0.941 107.9 53.9 -53.5 -49.4 -29.0 -48.2 0.1 235 358 A D H X S+ 0 0 62 -4,-3.8 4,-1.7 1,-0.2 5,-0.2 0.961 111.9 42.2 -50.0 -62.9 -31.2 -48.7 3.2 236 359 A L H X S+ 0 0 2 -4,-2.0 4,-1.6 1,-0.2 -1,-0.2 0.847 116.0 49.5 -54.3 -39.3 -29.0 -46.6 5.5 237 360 A I H X S+ 0 0 2 -4,-2.6 4,-2.8 1,-0.2 -1,-0.2 0.938 111.0 49.2 -66.5 -45.3 -28.5 -43.9 2.8 238 361 A S H < S+ 0 0 45 -4,-3.4 -1,-0.2 -5,-0.2 -2,-0.2 0.751 111.3 51.8 -63.9 -25.3 -32.2 -43.7 2.1 239 362 A R H < S+ 0 0 121 -4,-1.7 3,-0.2 -5,-0.3 -1,-0.2 0.808 113.5 42.4 -80.4 -32.6 -32.8 -43.4 5.9 240 363 A L H < S+ 0 0 0 -4,-1.6 2,-1.4 1,-0.2 -2,-0.2 0.829 105.3 65.2 -82.6 -33.1 -30.3 -40.5 6.1 241 364 A L S < S+ 0 0 6 -4,-2.8 2,-0.4 -5,-0.2 -1,-0.2 -0.527 71.4 142.0 -92.2 68.4 -31.5 -38.7 3.0 242 365 A K - 0 0 71 -2,-1.4 6,-0.1 -3,-0.2 -21,-0.1 -0.901 52.5-141.2-108.7 135.1 -34.9 -37.9 4.3 243 366 A H S S+ 0 0 85 -2,-0.4 -67,-0.2 1,-0.1 -1,-0.1 0.945 91.9 70.8 -60.4 -46.6 -36.5 -34.6 3.4 244 367 A N S > S- 0 0 60 1,-0.2 3,-2.2 -3,-0.1 4,-0.4 -0.613 74.9-153.5 -74.8 111.4 -38.0 -34.4 7.0 245 368 A P G > S+ 0 0 31 0, 0.0 3,-1.3 0, 0.0 -1,-0.2 0.834 94.7 58.6 -52.9 -35.9 -35.1 -33.8 9.4 246 369 A S G 3 S+ 0 0 87 1,-0.3 -2,-0.1 -3,-0.0 -3,-0.0 0.627 99.2 58.3 -71.5 -14.4 -37.1 -35.4 12.2 247 370 A Q G < S+ 0 0 105 -3,-2.2 -1,-0.3 -5,-0.1 -4,-0.1 0.456 83.5 101.1 -94.2 -3.2 -37.3 -38.6 10.2 248 371 A R S < S- 0 0 3 -3,-1.3 -8,-0.2 -4,-0.4 -58,-0.1 -0.599 82.2-101.3 -81.7 144.2 -33.5 -39.0 9.9 249 372 A P - 0 0 9 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.071 29.5-112.9 -60.2 161.1 -31.9 -41.5 12.4 250 373 A M > - 0 0 106 1,-0.1 4,-1.6 -61,-0.0 5,-0.2 -0.534 38.7-103.1 -86.7 164.9 -30.1 -40.6 15.6 251 374 A L H > S+ 0 0 12 1,-0.2 4,-2.8 2,-0.2 5,-0.1 0.850 122.1 54.6 -62.4 -31.7 -26.4 -41.3 15.5 252 375 A R H > S+ 0 0 193 2,-0.2 4,-1.4 1,-0.2 5,-0.2 0.941 105.0 53.2 -65.8 -44.4 -26.8 -44.5 17.7 253 376 A E H > S+ 0 0 82 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.870 113.0 45.5 -55.8 -37.9 -29.4 -45.8 15.2 254 377 A V H < S+ 0 0 1 -4,-1.6 3,-0.3 1,-0.2 -1,-0.2 0.905 109.5 54.0 -70.8 -43.2 -26.8 -45.3 12.5 255 378 A L H < S+ 0 0 47 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.655 115.4 40.9 -66.9 -15.2 -24.0 -46.8 14.7 256 379 A E H < S+ 0 0 148 -4,-1.4 -1,-0.2 -3,-0.2 -2,-0.2 0.602 80.0 127.5-106.2 -19.2 -26.1 -49.9 15.1 257 380 A H >X - 0 0 14 -4,-1.2 4,-2.6 -3,-0.3 3,-0.5 -0.130 67.0-121.9 -42.8 131.0 -27.5 -50.3 11.6 258 381 A P H 3> S+ 0 0 91 0, 0.0 4,-2.2 0, 0.0 -1,-0.1 0.780 108.5 49.2 -45.0 -46.9 -26.8 -53.9 10.3 259 382 A W H 34 S+ 0 0 14 -27,-0.2 4,-0.5 2,-0.2 -26,-0.1 0.865 113.8 47.2 -69.0 -36.8 -24.8 -52.9 7.2 260 383 A I H X> S+ 0 0 3 -3,-0.5 4,-2.5 2,-0.2 3,-1.0 0.936 116.7 43.1 -66.8 -49.5 -22.6 -50.5 9.2 261 384 A T H 3< S+ 0 0 95 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.824 109.8 58.3 -67.0 -32.0 -22.1 -53.1 11.9 262 385 A A T 3< S+ 0 0 71 -4,-2.2 -1,-0.3 -5,-0.3 -2,-0.2 0.611 123.5 19.3 -75.4 -11.3 -21.6 -55.8 9.3 263 386 A N T <4 S+ 0 0 37 -3,-1.0 2,-0.4 -4,-0.5 -151,-0.3 0.518 89.8 104.9-136.5 -7.8 -18.6 -53.9 7.7 264 387 A S < 0 0 29 -4,-2.5 -155,-0.1 -153,-0.2 -156,-0.1 -0.664 360.0 360.0 -79.1 130.7 -17.1 -51.3 10.0 265 388 A S 0 0 138 -157,-0.4 -2,-0.1 -2,-0.4 -1,-0.1 -0.082 360.0 360.0 -67.4 360.0 -13.8 -52.6 11.4