==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-MAY-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 29-DEC-11 3VAP . COMPND 2 MOLECULE: AURORA KINASE A; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.E.VOSS,M.P.RAINKA,M.FLEMING,L.H.PETERSON,D.B.BELANGER,M.A. . 249 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12791.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 162 65.1 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 . 37 14.9 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 . 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 . 12 4.8 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 . 76 30.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.6 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 1 0 1 1 1 1 0 0 0 0 1 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 . 1 0 1 0 1 2 1 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 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 1 127 A Q 0 0 208 0, 0.0 2,-0.2 0, 0.0 73,-0.1 0.000 360.0 360.0 360.0 -40.2 -0.0 18.5 24.2 2 128 A W - 0 0 72 71,-0.5 2,-0.3 3,-0.0 3,-0.0 -0.638 360.0-177.0 -98.8 158.4 -1.2 19.7 20.7 3 129 A A > - 0 0 25 -2,-0.2 3,-2.3 71,-0.1 4,-0.3 -0.990 41.1-109.3-151.5 151.4 -3.1 17.9 17.9 4 130 A L G > S+ 0 0 51 -2,-0.3 3,-1.8 1,-0.3 -1,-0.1 0.797 115.1 65.0 -48.3 -36.9 -4.4 18.7 14.3 5 131 A E G 3 S+ 0 0 138 1,-0.3 -1,-0.3 3,-0.0 22,-0.1 0.757 91.4 62.8 -58.3 -32.2 -8.0 18.7 15.7 6 132 A D G < S+ 0 0 45 -3,-2.3 21,-2.9 20,-0.1 22,-0.3 0.572 102.4 62.5 -73.3 -10.3 -7.2 21.8 17.8 7 133 A F E < -A 26 0A 6 -3,-1.8 2,-0.5 -4,-0.3 19,-0.2 -0.880 68.1-142.6-120.2 153.0 -6.5 23.9 14.6 8 134 A E E -A 25 0A 90 17,-2.4 17,-1.8 -2,-0.3 2,-0.2 -0.960 30.8-134.0-109.2 123.1 -8.4 25.0 11.5 9 135 A I E -A 24 0A 92 -2,-0.5 15,-0.3 15,-0.2 2,-0.1 -0.564 24.9-175.3 -85.0 141.2 -6.1 25.0 8.4 10 136 A G E - 0 0 37 13,-3.8 -1,-0.1 1,-0.3 3,-0.1 -0.131 42.4 -34.7-113.8-153.8 -6.0 27.9 6.0 11 137 A R E - 0 0 153 11,-0.1 12,-2.7 1,-0.1 -1,-0.3 -0.270 68.4 -99.1 -68.6 158.2 -4.3 28.6 2.7 12 138 A P E -A 22 0A 66 0, 0.0 10,-0.3 0, 0.0 3,-0.1 -0.641 32.3-167.1 -75.7 135.3 -0.8 27.2 2.0 13 139 A L E - 0 0 27 8,-3.0 2,-0.3 1,-0.4 9,-0.2 0.868 63.2 -24.0 -89.0 -43.8 1.7 29.9 2.6 14 140 A G E -A 21 0A 16 7,-1.6 7,-3.0 2,-0.0 2,-0.4 -0.960 51.9-125.3-168.3 149.6 4.7 28.2 1.0 15 141 A K E -A 20 0A 168 -2,-0.3 5,-0.3 5,-0.3 2,-0.2 -0.851 32.4-173.1 -98.6 133.2 6.2 24.8 0.0 16 142 A G - 0 0 54 3,-3.6 3,-0.4 -2,-0.4 -2,-0.0 -0.556 43.5 -82.8-115.2-177.0 9.7 23.9 1.4 17 143 A K S S+ 0 0 135 1,-0.2 3,-0.1 -2,-0.2 -2,-0.0 0.678 127.3 30.0 -63.5 -20.0 12.3 21.1 0.8 18 144 A F S S- 0 0 27 1,-0.3 21,-2.1 19,-0.0 2,-0.3 0.424 131.4 -48.5-118.0 -7.8 10.5 18.7 3.4 19 145 A G E - B 0 38A 5 -3,-0.4 -3,-3.6 19,-0.2 -1,-0.3 -0.965 69.3 -66.3 163.1-164.4 6.8 19.8 3.1 20 146 A N E -AB 15 37A 27 17,-1.1 17,-2.8 -2,-0.3 2,-0.5 -0.783 27.7-133.1-118.2 162.1 4.6 22.9 3.2 21 147 A V E -AB 14 36A 43 -7,-3.0 -8,-3.0 -2,-0.3 -7,-1.6 -0.973 27.5-164.4-117.6 120.2 3.7 25.6 5.8 22 148 A Y E -AB 12 35A 65 13,-2.4 13,-3.2 -2,-0.5 2,-0.2 -0.745 24.7-110.8-105.4 156.4 -0.1 26.5 6.1 23 149 A L E + B 0 34A 37 -12,-2.7 -13,-3.8 -2,-0.3 2,-0.3 -0.581 48.8 176.8 -80.2 143.2 -2.0 29.4 7.7 24 150 A A E -AB 9 33A 2 9,-2.1 9,-2.4 -15,-0.3 2,-0.3 -0.969 28.1-151.2-150.3 162.5 -3.8 28.1 10.7 25 151 A R E -AB 8 32A 96 -17,-1.8 -17,-2.4 -2,-0.3 2,-0.2 -0.959 23.2-128.9-140.6 116.9 -6.1 29.1 13.6 26 152 A E E > -A 7 0A 9 5,-1.8 4,-2.3 -2,-0.3 5,-0.4 -0.520 26.7-135.5 -64.6 129.5 -6.2 27.4 17.0 27 153 A K T 4 S+ 0 0 103 -21,-2.9 -1,-0.1 -2,-0.2 -20,-0.1 0.869 93.0 39.8 -58.1 -49.1 -10.0 26.7 17.5 28 154 A Q T 4 S+ 0 0 169 -22,-0.3 -1,-0.2 1,-0.2 -21,-0.1 0.945 126.9 30.8 -71.4 -51.4 -10.5 27.8 21.2 29 155 A S T 4 S- 0 0 75 2,-0.1 -2,-0.2 1,-0.0 -1,-0.2 0.747 93.3-135.3 -79.0 -28.3 -8.2 30.9 21.3 30 156 A K < + 0 0 145 -4,-2.3 2,-0.5 1,-0.2 -3,-0.2 0.672 45.3 166.0 73.6 24.4 -8.7 32.0 17.6 31 157 A F - 0 0 86 -5,-0.4 -5,-1.8 1,-0.1 2,-0.3 -0.583 32.6-135.7 -77.7 120.1 -4.9 32.5 17.5 32 158 A I E +B 25 0A 76 -2,-0.5 54,-0.4 -7,-0.2 2,-0.3 -0.561 39.8 149.7 -77.8 135.7 -3.5 32.9 14.0 33 159 A L E -B 24 0A 4 -9,-2.4 -9,-2.1 -2,-0.3 2,-0.4 -0.912 46.3 -96.9-154.3 176.2 -0.3 31.0 13.3 34 160 A A E -BC 23 84A 9 50,-3.2 50,-3.1 -2,-0.3 2,-0.7 -0.916 26.7-156.4-106.8 127.5 2.0 29.1 10.8 35 161 A L E -BC 22 83A 2 -13,-3.2 -13,-2.4 -2,-0.4 2,-0.8 -0.883 2.7-159.6-108.5 100.2 1.7 25.3 10.6 36 162 A K E -BC 21 82A 23 46,-2.5 46,-2.3 -2,-0.7 2,-0.7 -0.734 10.8-168.4 -81.0 107.0 4.9 23.7 9.2 37 163 A V E +BC 20 81A 15 -17,-2.8 -17,-1.1 -2,-0.8 2,-0.4 -0.930 10.8 178.5-101.1 105.2 3.7 20.3 8.0 38 164 A L E -BC 19 80A 8 42,-3.4 42,-3.7 -2,-0.7 2,-0.3 -0.897 29.8-113.1-112.6 143.9 6.7 18.2 7.2 39 165 A F E > - C 0 79A 69 -21,-2.1 4,-1.7 -2,-0.4 40,-0.2 -0.573 9.1-145.2 -79.2 134.4 6.7 14.6 6.0 40 166 A K H > S+ 0 0 72 38,-2.1 4,-2.3 -2,-0.3 5,-0.2 0.861 102.4 51.1 -62.0 -36.2 8.2 12.0 8.4 41 167 A A H > S+ 0 0 39 37,-0.6 4,-3.1 2,-0.2 5,-0.2 0.971 108.0 46.3 -66.1 -60.9 9.5 10.2 5.2 42 168 A Q H 4 S+ 0 0 93 1,-0.2 4,-0.4 -24,-0.2 -1,-0.2 0.820 119.0 44.6 -54.5 -35.4 11.3 13.1 3.4 43 169 A L H ><>S+ 0 0 7 -4,-1.7 5,-2.2 -25,-0.2 3,-0.7 0.947 118.1 39.6 -74.7 -54.4 13.0 14.0 6.7 44 170 A E H ><5S+ 0 0 89 -4,-2.3 3,-1.3 1,-0.2 -2,-0.2 0.822 109.5 60.5 -68.2 -33.5 14.0 10.6 8.0 45 171 A K T 3<5S+ 0 0 182 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.664 109.2 43.8 -69.6 -17.1 15.1 9.3 4.4 46 172 A A T < 5S- 0 0 70 -3,-0.7 -1,-0.2 -4,-0.4 -2,-0.2 0.183 115.2-114.1-109.7 14.0 17.7 12.1 4.2 47 173 A G T < 5S+ 0 0 36 -3,-1.3 3,-0.2 1,-0.1 -3,-0.2 0.772 78.7 127.9 58.6 33.9 19.0 11.6 7.9 48 174 A V >>< + 0 0 11 -5,-2.2 3,-3.1 1,-0.2 4,-0.7 0.769 33.2 100.8 -88.1 -33.9 17.7 15.1 8.9 49 175 A E H >> S+ 0 0 60 -6,-0.5 4,-1.7 1,-0.3 3,-0.9 0.665 76.0 58.7 -18.7 -56.3 15.6 14.0 12.0 50 176 A H H 3> S+ 0 0 117 1,-0.3 4,-1.0 -3,-0.2 -1,-0.3 0.781 104.6 51.2 -54.5 -33.8 18.3 15.1 14.5 51 177 A Q H <> S+ 0 0 44 -3,-3.1 4,-3.3 2,-0.2 -1,-0.3 0.806 106.6 53.7 -75.6 -30.4 18.2 18.8 13.2 52 178 A L H - 0 0 41 -2,-0.5 3,-1.8 3,-0.5 53,-0.0 -0.955 63.1-117.6-158.3 145.4 13.5 37.5 20.9 65 191 A P T 3 S+ 0 0 90 0, 0.0 4,-0.1 0, 0.0 -1,-0.1 0.787 116.6 46.5 -57.3 -32.1 11.4 40.1 18.9 66 192 A N T 3 S+ 0 0 17 47,-0.1 80,-2.2 79,-0.1 2,-0.4 0.040 98.6 85.8 -99.6 27.4 13.3 39.4 15.7 67 193 A I B < S-e 146 0B 1 -3,-1.8 -3,-0.5 78,-0.3 80,-0.2 -0.960 85.9-117.3-130.6 114.4 13.2 35.5 16.1 68 194 A L - 0 0 12 78,-1.5 80,-0.1 -2,-0.4 -6,-0.1 -0.256 38.3-131.1 -49.5 111.7 10.1 33.6 14.8 69 195 A R - 0 0 50 -4,-0.1 16,-2.5 17,-0.1 2,-0.4 -0.407 12.5-147.6 -68.6 146.3 8.7 32.1 18.0 70 196 A L E -D 84 0A 2 -11,-0.9 14,-0.2 -8,-0.3 3,-0.1 -0.994 12.8-175.6-115.8 125.6 7.8 28.3 18.1 71 197 A Y E - 0 0 96 12,-2.2 2,-0.3 -2,-0.4 13,-0.2 0.669 56.1 -53.6 -95.1 -24.4 4.8 27.5 20.4 72 198 A G E -D 83 0A 12 11,-1.3 11,-2.9 2,-0.0 2,-0.3 -0.987 46.2-129.5 170.1-174.8 4.9 23.7 20.1 73 199 A Y E +D 82 0A 121 -2,-0.3 -71,-0.5 9,-0.2 2,-0.2 -0.986 13.5 175.6-159.6 164.7 4.9 20.5 18.0 74 200 A F E -D 81 0A 22 7,-2.2 7,-2.7 -2,-0.3 2,-0.2 -0.898 17.1-139.6-159.9 179.2 3.3 17.1 17.3 75 201 A H E -D 80 0A 113 5,-0.3 5,-0.2 -2,-0.2 -2,-0.0 -0.772 9.5-165.6-159.2 112.3 3.5 14.2 14.8 76 202 A D - 0 0 51 3,-0.7 -36,-0.1 -2,-0.2 -2,-0.0 -0.081 51.0 -76.5 -83.6-173.0 0.8 12.0 13.2 77 203 A A S S+ 0 0 90 1,-0.2 -1,-0.0 -37,-0.0 3,-0.0 0.904 127.0 16.1 -51.5 -49.4 1.3 8.6 11.4 78 204 A T S S+ 0 0 87 -38,-0.1 -38,-2.1 -39,-0.0 -37,-0.6 0.766 123.1 44.7 -97.1 -37.9 2.7 10.2 8.1 79 205 A R E -C 39 0A 84 -40,-0.2 -3,-0.7 -39,-0.1 2,-0.4 -0.686 60.1-138.2-115.6 168.9 3.6 13.8 9.0 80 206 A V E -CD 38 75A 19 -42,-3.7 -42,-3.4 -5,-0.2 2,-0.5 -0.992 21.8-152.8-126.5 130.5 5.4 16.0 11.6 81 207 A Y E -CD 37 74A 2 -7,-2.7 -7,-2.2 -2,-0.4 2,-0.5 -0.944 12.1-171.7-117.9 123.8 4.0 19.4 12.7 82 208 A L E -CD 36 73A 1 -46,-2.3 -46,-2.5 -2,-0.5 2,-0.7 -0.939 18.5-145.6-110.7 124.0 5.8 22.6 14.1 83 209 A I E +CD 35 72A 2 -11,-2.9 -12,-2.2 -2,-0.5 -11,-1.3 -0.858 33.6 174.5 -92.0 110.9 3.4 25.3 15.4 84 210 A L E -CD 34 70A 6 -50,-3.1 -50,-3.2 -2,-0.7 -14,-0.2 -0.816 36.6 -90.0-123.4 163.8 5.1 28.6 14.6 85 211 A E - 0 0 36 -16,-2.5 2,-0.5 -2,-0.3 -52,-0.1 -0.383 44.2-125.3 -67.1 141.0 4.6 32.4 14.7 86 212 A Y - 0 0 70 -54,-0.4 3,-0.1 -2,-0.1 -1,-0.1 -0.850 10.5-148.8 -99.6 127.2 3.0 33.8 11.6 87 213 A A > - 0 0 8 -2,-0.5 3,-2.1 1,-0.1 51,-0.2 -0.861 8.0-160.2 -96.1 94.2 4.8 36.6 9.7 88 214 A P T 3 S+ 0 0 56 0, 0.0 51,-0.2 0, 0.0 -1,-0.1 0.767 87.3 50.8 -50.9 -35.0 2.0 38.7 8.2 89 215 A L T 3 S- 0 0 96 49,-2.0 50,-0.1 1,-0.2 6,-0.0 0.302 103.9-136.8 -91.9 13.1 4.3 40.4 5.6 90 216 A G < - 0 0 24 -3,-2.1 48,-1.8 48,-0.4 -1,-0.2 -0.251 42.5 -19.3 74.5-165.5 5.8 37.1 4.3 91 217 A T B > -F 137 0B 25 46,-0.2 4,-1.6 1,-0.1 46,-0.3 -0.529 43.6-134.4 -81.7 151.3 9.4 36.2 3.4 92 218 A V H > S+ 0 0 0 44,-3.2 4,-2.3 41,-0.7 42,-0.2 0.804 108.0 64.0 -68.5 -32.5 12.3 38.6 2.6 93 219 A Y H > S+ 0 0 89 40,-1.3 4,-1.3 43,-0.5 -1,-0.2 0.921 106.0 42.8 -54.4 -49.1 13.1 36.3 -0.4 94 220 A R H > S+ 0 0 103 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.829 111.8 54.2 -67.5 -38.0 9.6 37.2 -1.9 95 221 A E H X S+ 0 0 28 -4,-1.6 4,-3.1 1,-0.2 5,-0.3 0.889 108.6 49.2 -63.1 -41.0 10.0 40.9 -1.1 96 222 A L H X S+ 0 0 10 -4,-2.3 4,-1.7 2,-0.2 -1,-0.2 0.780 108.2 53.4 -69.2 -31.7 13.4 40.9 -2.9 97 223 A Q H < S+ 0 0 127 -4,-1.3 -1,-0.2 2,-0.2 -2,-0.2 0.892 114.5 43.4 -68.7 -38.7 11.8 39.2 -5.9 98 224 A K H < S+ 0 0 155 -4,-1.8 -2,-0.2 1,-0.2 -3,-0.1 0.982 125.0 31.0 -68.2 -58.8 9.1 42.0 -5.9 99 225 A L H < S- 0 0 84 -4,-3.1 2,-1.4 1,-0.2 -3,-0.2 0.695 90.8-147.4 -72.7 -24.8 11.4 45.0 -5.3 100 226 A S S < S+ 0 0 79 -4,-1.7 2,-0.3 -5,-0.3 -1,-0.2 -0.387 77.6 11.8 82.9 -53.2 14.4 43.4 -7.1 101 227 A K S S- 0 0 103 -2,-1.4 2,-0.3 -6,-0.1 84,-0.2 -0.954 77.4-126.1-146.2 158.9 16.7 45.3 -4.7 102 228 A F - 0 0 6 82,-3.3 85,-0.0 -2,-0.3 -6,-0.0 -0.830 27.0-112.0-105.9 148.7 16.3 47.2 -1.4 103 229 A D >> - 0 0 96 -2,-0.3 4,-1.9 1,-0.1 3,-0.5 -0.254 35.9 -98.9 -75.7 165.3 17.4 50.7 -0.7 104 230 A E H 3> S+ 0 0 64 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.790 122.3 54.1 -50.5 -36.0 20.2 51.6 1.9 105 231 A Q H 3> S+ 0 0 91 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.861 110.1 44.0 -71.4 -39.7 17.6 52.4 4.6 106 232 A R H <> S+ 0 0 84 -3,-0.5 4,-1.3 2,-0.2 -2,-0.2 0.778 115.6 49.6 -75.9 -31.5 15.7 49.1 4.4 107 233 A T H X S+ 0 0 0 -4,-1.9 4,-2.7 2,-0.2 3,-0.3 0.963 109.0 49.8 -71.5 -53.6 19.0 47.1 4.3 108 234 A A H X S+ 0 0 0 -4,-2.1 4,-3.0 1,-0.2 141,-0.2 0.902 111.1 50.1 -52.7 -45.4 20.6 48.9 7.3 109 235 A T H X S+ 0 0 20 -4,-1.5 4,-2.4 139,-0.3 -1,-0.2 0.852 111.3 48.3 -64.3 -39.0 17.5 48.3 9.4 110 236 A Y H X S+ 0 0 9 -4,-1.3 4,-2.2 -3,-0.3 -1,-0.2 0.894 112.3 48.3 -67.8 -42.7 17.4 44.5 8.4 111 237 A I H X S+ 0 0 0 -4,-2.7 4,-3.6 2,-0.2 -2,-0.2 0.943 111.8 50.8 -61.4 -47.1 21.1 44.1 9.2 112 238 A T H X S+ 0 0 26 -4,-3.0 4,-2.6 1,-0.2 -2,-0.2 0.933 112.6 45.4 -52.2 -51.6 20.5 45.9 12.6 113 239 A E H X S+ 0 0 33 -4,-2.4 4,-1.5 2,-0.2 -1,-0.2 0.817 116.0 46.7 -63.5 -33.2 17.5 43.6 13.4 114 240 A L H X S+ 0 0 0 -4,-2.2 4,-3.2 2,-0.2 5,-0.2 0.929 111.7 51.5 -71.6 -48.2 19.6 40.5 12.3 115 241 A A H X S+ 0 0 0 -4,-3.6 4,-2.8 1,-0.2 -2,-0.2 0.895 111.2 46.5 -55.5 -45.1 22.6 41.8 14.3 116 242 A N H X S+ 0 0 64 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.865 114.6 47.6 -67.3 -37.8 20.5 42.2 17.5 117 243 A A H X S+ 0 0 0 -4,-1.5 4,-2.2 -5,-0.2 -2,-0.2 0.942 115.3 44.9 -68.5 -44.4 18.9 38.8 17.1 118 244 A L H X S+ 0 0 0 -4,-3.2 4,-3.0 2,-0.2 -2,-0.2 0.885 108.3 56.9 -68.6 -34.9 22.2 37.2 16.5 119 245 A S H X S+ 0 0 49 -4,-2.8 4,-0.7 -5,-0.2 -2,-0.2 0.982 109.4 46.5 -58.6 -49.5 23.8 39.0 19.3 120 246 A Y H >X S+ 0 0 66 -4,-2.0 3,-1.1 1,-0.2 4,-0.9 0.903 113.6 50.3 -56.3 -43.8 21.1 37.5 21.6 121 247 A C H 3<>S+ 0 0 0 -4,-2.2 5,-2.5 1,-0.2 -1,-0.2 0.884 100.2 59.9 -64.5 -43.0 21.7 34.0 20.0 122 248 A H H 3<5S+ 0 0 21 -4,-3.0 3,-0.3 3,-0.2 -1,-0.2 0.619 97.4 65.4 -64.1 -9.7 25.5 34.1 20.5 123 249 A S H <<5S+ 0 0 82 -3,-1.1 -1,-0.2 -4,-0.7 -2,-0.2 0.975 104.2 41.5 -73.6 -54.5 24.7 34.4 24.3 124 250 A K T <5S- 0 0 95 -4,-0.9 -1,-0.2 -3,-0.2 -2,-0.2 0.307 124.4-106.0 -75.0 11.5 23.1 30.9 24.5 125 251 A R T 5S+ 0 0 179 -3,-0.3 2,-0.6 1,-0.3 -3,-0.2 0.894 72.2 152.5 61.8 40.7 26.0 29.6 22.2 126 252 A V < - 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0 0 5 0, 0.0 3,-2.1 0, 0.0 -9,-0.1 -0.458 35.8-114.0 -73.5 148.0 24.4 37.2 -3.7 190 328 A P T 3 S+ 0 0 2 0, 0.0 19,-0.3 0, 0.0 -11,-0.0 0.675 114.4 38.6 -48.6 -31.8 28.1 38.2 -4.2 191 329 A F T 3 S+ 0 0 0 -35,-0.2 11,-0.2 17,-0.1 12,-0.2 0.167 81.0 146.8-108.1 11.3 29.3 34.6 -5.1 192 330 A E < + 0 0 97 -3,-2.1 2,-0.3 10,-0.1 -4,-0.0 -0.330 18.9 158.2 -56.5 126.4 26.1 33.6 -7.2 193 331 A A - 0 0 27 2,-0.1 -37,-0.1 -2,-0.0 -2,-0.1 -0.863 52.9-107.7-143.8 169.2 27.2 31.3 -10.1 194 332 A N S S+ 0 0 159 -2,-0.3 2,-0.3 2,-0.0 3,-0.1 0.477 97.0 42.1 -86.5 -2.5 25.5 28.7 -12.3 195 333 A T S > S- 0 0 55 1,-0.1 4,-2.4 0, 0.0 5,-0.2 -0.973 76.3-122.8-142.6 158.0 27.1 25.7 -10.6 196 334 A Y H > S+ 0 0 134 -2,-0.3 4,-3.2 1,-0.2 5,-0.2 0.919 118.0 48.6 -61.2 -42.0 28.0 24.4 -7.2 197 335 A Q H > S+ 0 0 132 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.867 109.2 49.7 -72.7 -35.3 31.5 24.1 -8.3 198 336 A E H > S+ 0 0 107 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.915 117.1 43.5 -67.2 -40.8 31.7 27.7 -9.8 199 337 A T H X S+ 0 0 8 -4,-2.4 4,-2.9 2,-0.2 5,-0.3 0.934 109.0 56.4 -67.8 -48.1 30.2 29.0 -6.5 200 338 A Y H X S+ 0 0 79 -4,-3.2 4,-2.1 1,-0.2 -1,-0.2 0.854 111.8 44.3 -50.2 -41.4 32.5 26.8 -4.3 201 339 A K H X S+ 0 0 119 -4,-1.6 4,-2.6 2,-0.2 -1,-0.2 0.924 112.3 51.0 -71.4 -44.6 35.5 28.4 -6.1 202 340 A R H <>S+ 0 0 73 -4,-2.0 5,-2.6 1,-0.2 4,-0.4 0.870 115.3 42.7 -62.9 -39.3 34.1 32.0 -5.9 203 341 A I H ><5S+ 0 0 0 -4,-2.9 3,-0.8 3,-0.2 -1,-0.2 0.929 113.6 51.8 -70.2 -46.8 33.5 31.6 -2.1 204 342 A S H 3<5S+ 0 0 30 -4,-2.1 -2,-0.2 -5,-0.3 -3,-0.2 0.924 119.5 34.3 -58.7 -45.9 36.9 29.9 -1.5 205 343 A R T 3<5S- 0 0 150 -4,-2.6 -1,-0.3 -5,-0.1 -2,-0.2 0.426 107.5-127.2 -89.5 0.2 38.9 32.6 -3.3 206 344 A V T < 5 + 0 0 30 -3,-0.8 2,-0.8 -4,-0.4 -3,-0.2 0.935 43.5 172.6 50.2 57.9 36.4 35.3 -2.1 207 345 A E < + 0 0 92 -5,-2.6 2,-0.3 -6,-0.1 -1,-0.2 -0.862 13.0 137.4 -99.9 100.9 35.9 36.7 -5.6 208 346 A F - 0 0 37 -2,-0.8 2,-0.3 -17,-0.1 -17,-0.1 -0.997 30.7-158.4-145.0 152.2 33.1 39.3 -5.6 209 347 A T - 0 0 102 -19,-0.3 -2,-0.0 -2,-0.3 0, 0.0 -0.905 13.1-130.7-132.8 156.4 32.5 42.7 -7.2 210 348 A F - 0 0 38 -2,-0.3 2,-0.1 4,-0.1 -28,-0.0 -0.864 19.8-124.5-104.8 139.9 30.3 45.7 -6.6 211 349 A P > - 0 0 38 0, 0.0 3,-1.7 0, 0.0 -1,-0.0 -0.390 38.0-101.6 -73.1 158.5 28.1 47.5 -9.1 212 350 A D T 3 S+ 0 0 163 1,-0.3 -2,-0.0 -2,-0.1 0, 0.0 0.814 117.0 61.8 -46.4 -42.1 28.7 51.3 -9.4 213 351 A F T 3 S+ 0 0 103 2,-0.0 2,-0.3 -27,-0.0 -1,-0.3 0.537 72.7 111.2 -68.5 -13.1 25.7 52.3 -7.2 214 352 A V S < S- 0 0 9 -3,-1.7 -4,-0.1 1,-0.1 -32,-0.0 -0.521 72.5-121.5 -71.6 123.1 26.9 50.6 -4.0 215 353 A T > - 0 0 49 -2,-0.3 4,-3.2 1,-0.1 3,-0.4 -0.284 15.4-116.4 -62.2 153.1 27.8 53.3 -1.5 216 354 A E H > S+ 0 0 173 1,-0.2 4,-2.3 2,-0.2 -1,-0.1 0.889 118.6 51.4 -59.3 -41.3 31.4 53.5 -0.0 217 355 A G H > S+ 0 0 20 2,-0.2 4,-2.0 1,-0.2 27,-0.3 0.792 113.0 44.8 -65.5 -31.2 30.0 52.8 3.5 218 356 A A H > S+ 0 0 0 -3,-0.4 4,-2.2 2,-0.2 5,-0.3 0.893 112.0 51.5 -78.1 -44.7 28.2 49.7 2.1 219 357 A R H X S+ 0 0 76 -4,-3.2 4,-1.8 2,-0.2 -2,-0.2 0.873 112.5 49.9 -55.5 -39.4 31.3 48.6 0.1 220 358 A D H X S+ 0 0 61 -4,-2.3 4,-2.9 -5,-0.2 5,-0.2 0.991 110.6 44.8 -65.3 -61.6 33.2 49.0 3.4 221 359 A L H X S+ 0 0 2 -4,-2.0 4,-2.7 1,-0.2 -2,-0.2 0.887 115.9 46.4 -50.6 -50.5 30.9 46.9 5.7 222 360 A I H X S+ 0 0 1 -4,-2.2 4,-2.8 2,-0.2 -1,-0.2 0.904 113.2 50.0 -60.5 -44.9 30.5 44.0 3.2 223 361 A S H < S+ 0 0 46 -4,-1.8 -2,-0.2 -5,-0.3 -1,-0.2 0.901 111.7 48.4 -63.8 -38.2 34.3 44.0 2.5 224 362 A R H < S+ 0 0 122 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.915 117.4 42.0 -64.5 -43.6 34.8 43.9 6.3 225 363 A L H < S+ 0 0 0 -4,-2.7 2,-1.1 -5,-0.2 -2,-0.2 0.789 104.3 67.3 -74.4 -31.9 32.3 41.0 6.7 226 364 A L S < S+ 0 0 6 -4,-2.8 2,-0.4 -5,-0.2 -1,-0.2 -0.540 70.2 134.4 -95.2 68.9 33.5 39.1 3.6 227 365 A K - 0 0 85 -2,-1.1 6,-0.1 -3,-0.2 -21,-0.1 -0.945 55.2-140.3-115.2 137.1 36.9 38.0 4.8 228 366 A H S S+ 0 0 75 -2,-0.4 -67,-0.3 1,-0.1 -1,-0.1 0.884 92.6 66.0 -61.1 -45.2 38.3 34.5 4.5 229 367 A N S > S- 0 0 63 1,-0.2 3,-1.3 -69,-0.1 4,-0.5 -0.762 78.6-149.5 -84.9 113.2 39.9 34.5 8.0 230 368 A P G > S+ 0 0 22 0, 0.0 3,-1.7 0, 0.0 -1,-0.2 0.816 92.6 61.9 -49.4 -43.2 37.0 34.7 10.5 231 369 A S G 3 S+ 0 0 92 1,-0.3 -3,-0.0 -3,-0.1 -2,-0.0 0.829 97.6 59.3 -50.5 -41.0 39.1 36.7 13.1 232 370 A Q G < S+ 0 0 117 -3,-1.3 -1,-0.3 -7,-0.0 -4,-0.1 0.663 88.0 91.6 -67.6 -19.2 39.4 39.6 10.6 233 371 A R S < S- 0 0 5 -3,-1.7 -8,-0.2 -4,-0.5 -9,-0.1 -0.417 83.8-114.0 -71.1 153.5 35.6 39.9 10.4 234 372 A P - 0 0 12 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.150 26.5-113.6 -76.1-176.1 34.1 42.4 12.8 235 373 A M >> - 0 0 117 -61,-0.0 3,-1.9 1,-0.0 4,-1.5 -0.772 32.9 -98.8-115.3 161.3 31.8 41.4 15.6 236 374 A L H 3> S+ 0 0 11 -2,-0.3 4,-3.0 1,-0.3 5,-0.2 0.786 120.0 60.0 -52.9 -36.2 28.1 42.4 15.9 237 375 A R H 3> S+ 0 0 191 1,-0.2 4,-0.9 2,-0.2 -1,-0.3 0.793 109.2 45.3 -64.6 -26.3 28.7 45.4 18.3 238 376 A E H <4 S+ 0 0 90 -3,-1.9 -2,-0.2 2,-0.2 -1,-0.2 0.827 111.0 52.3 -83.2 -35.4 30.9 46.9 15.5 239 377 A V H >< S+ 0 0 1 -4,-1.5 3,-2.0 2,-0.2 6,-0.3 0.970 110.6 47.9 -63.4 -52.2 28.3 46.2 12.8 240 378 A L H 3< S+ 0 0 40 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.830 115.6 46.0 -57.3 -33.0 25.6 47.9 14.9 241 379 A E T 3< S+ 0 0 143 -4,-0.9 -1,-0.3 -5,-0.2 -2,-0.2 0.297 83.4 127.1 -91.6 4.9 28.0 50.8 15.4 242 380 A H <> - 0 0 9 -3,-2.0 4,-2.9 1,-0.1 3,-0.4 -0.440 66.0-128.1 -68.4 137.9 29.1 51.1 11.7 243 381 A P H > S+ 0 0 91 0, 0.0 4,-1.8 0, 0.0 -1,-0.1 0.766 108.7 52.5 -55.8 -30.1 28.7 54.6 10.2 244 382 A W H > S+ 0 0 8 -27,-0.3 4,-1.6 2,-0.2 5,-0.1 0.882 113.4 43.6 -72.7 -38.8 26.7 53.3 7.2 245 383 A I H > S+ 0 0 3 -3,-0.4 4,-2.8 -6,-0.3 -1,-0.1 0.916 115.0 46.9 -72.3 -47.2 24.3 51.5 9.5 246 384 A T H < S+ 0 0 91 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.908 115.8 47.0 -62.9 -39.8 23.9 54.3 12.0 247 385 A A H < S+ 0 0 78 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.826 125.6 27.4 -65.4 -41.4 23.4 56.8 9.2 248 386 A N H < S+ 0 0 45 -4,-1.6 -139,-0.3 -144,-0.1 -2,-0.2 0.571 100.5 93.3-103.5 -15.5 20.9 54.7 7.2 249 387 A S < 0 0 30 -4,-2.8 -143,-0.1 -141,-0.2 -144,-0.1 -0.185 360.0 360.0 -75.8 174.0 19.2 52.6 9.8 250 388 A S 0 0 114 -145,-0.2 -1,-0.1 -144,-0.1 -2,-0.1 -0.973 360.0 360.0-119.3 360.0 15.9 53.6 11.6