==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 20-FEB-13 4JBQ . COMPND 2 MOLECULE: AURORA KINASE A; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.S.WU,J.S.LEOU,Y.H.PENG,C.C.HSUEH,H.P.HSIEH,S.Y.WU . 257 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13804.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 168 65.4 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 15.6 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 . 15 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 76 29.6 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 1 1 1 1 0 2 0 1 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 . 1 1 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 . 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 1 126 A R 0 0 253 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 85.8 -1.9 19.1 27.9 2 127 A Q - 0 0 134 1,-0.0 2,-0.2 73,-0.0 73,-0.1 -0.701 360.0-136.8 -92.1 131.5 -1.3 17.2 24.6 3 128 A W - 0 0 55 -2,-0.4 2,-0.3 71,-0.3 73,-0.2 -0.548 17.8-172.4 -84.2 148.2 -2.7 18.5 21.2 4 129 A A > - 0 0 36 -2,-0.2 3,-2.2 71,-0.1 4,-0.1 -0.906 40.6-102.0-131.0 164.8 -4.3 16.3 18.5 5 130 A L G > S+ 0 0 59 -2,-0.3 3,-1.7 1,-0.3 -1,-0.0 0.830 117.5 64.3 -54.8 -36.6 -5.4 17.1 14.9 6 131 A E G 3 S+ 0 0 149 1,-0.3 -1,-0.3 21,-0.0 22,-0.0 0.530 87.7 71.7 -64.7 -10.3 -9.1 17.4 16.0 7 132 A D G < S+ 0 0 37 -3,-2.2 21,-2.8 21,-0.1 2,-0.4 0.476 95.8 63.5 -83.8 -3.2 -8.1 20.5 18.2 8 133 A F E < -A 27 0A 7 -3,-1.7 2,-0.5 19,-0.3 19,-0.2 -0.968 69.6-141.7-130.2 135.8 -7.6 22.6 15.1 9 134 A E E -A 26 0A 95 17,-3.1 17,-2.3 -2,-0.4 2,-0.4 -0.817 33.4-135.5 -84.7 133.8 -9.7 23.9 12.2 10 135 A I E -A 25 0A 83 -2,-0.5 15,-0.2 15,-0.2 2,-0.1 -0.796 24.3-174.7 -99.1 133.7 -7.6 23.7 9.1 11 136 A G E - 0 0 38 13,-3.6 3,-0.1 -2,-0.4 -1,-0.1 -0.054 40.0 -41.2-105.1-151.3 -7.5 26.5 6.7 12 137 A R E - 0 0 155 1,-0.1 12,-2.3 11,-0.1 -1,-0.3 -0.385 67.6 -89.8 -81.8 152.7 -5.9 27.1 3.3 13 138 A P E -A 23 0A 59 0, 0.0 10,-0.3 0, 0.0 -1,-0.1 -0.385 35.4-174.2 -59.0 132.1 -2.4 25.9 2.3 14 139 A L E - 0 0 64 8,-3.3 2,-0.3 1,-0.4 9,-0.2 0.853 67.7 -0.9 -93.6 -48.6 0.3 28.5 3.1 15 140 A G E -A 22 0A 33 7,-1.1 7,-2.4 2,-0.0 2,-0.5 -0.995 56.0-146.1-145.2 147.3 3.3 26.8 1.5 16 141 A K E +A 21 0A 166 -2,-0.3 5,-0.2 5,-0.2 2,-0.1 -0.962 30.8 170.6-116.4 112.9 4.1 23.6 -0.3 17 142 A G - 0 0 53 3,-1.6 -2,-0.0 -2,-0.5 5,-0.0 -0.422 46.7 -98.7-109.7-174.7 7.6 22.2 0.5 18 143 A K S S+ 0 0 188 -2,-0.1 3,-0.1 1,-0.1 -1,-0.0 0.888 119.4 35.3 -72.6 -41.0 9.5 19.0 -0.2 19 144 A F S S- 0 0 80 1,-0.2 21,-0.8 20,-0.0 2,-0.3 0.766 126.4 -31.3 -88.7 -30.0 8.9 17.5 3.2 20 145 A G E - B 0 39A 10 19,-0.2 -3,-1.6 2,-0.0 2,-0.3 -0.993 59.9 -84.5-176.1 174.3 5.4 18.7 4.0 21 146 A N E -AB 16 38A 51 17,-0.7 17,-2.9 -2,-0.3 2,-0.5 -0.715 26.3-147.6 -96.4 143.4 2.6 21.2 3.8 22 147 A V E -AB 15 37A 29 -7,-2.4 -8,-3.3 -2,-0.3 -7,-1.1 -0.947 20.5-170.7-107.2 130.7 2.0 24.2 5.9 23 148 A Y E -AB 13 36A 61 13,-3.3 13,-2.9 -2,-0.5 2,-0.3 -0.907 28.6-118.1-118.1 146.8 -1.6 25.3 6.7 24 149 A L E + B 0 35A 34 -12,-2.3 -13,-3.6 -2,-0.4 2,-0.3 -0.618 48.9 175.1 -67.1 142.2 -3.3 28.2 8.2 25 150 A A E -AB 10 34A 2 9,-2.5 9,-2.9 -2,-0.3 2,-0.4 -0.978 28.2-148.7-152.1 160.3 -5.1 26.8 11.2 26 151 A R E -AB 9 33A 79 -17,-2.3 -17,-3.1 -2,-0.3 2,-0.3 -0.996 24.4-125.0-136.0 124.8 -7.2 27.9 14.2 27 152 A E E > -A 8 0A 9 5,-2.2 4,-2.1 -2,-0.4 5,-0.4 -0.583 26.8-136.7 -68.9 130.3 -7.2 26.1 17.5 28 153 A K T 4 S+ 0 0 100 -21,-2.8 -1,-0.1 -2,-0.3 -20,-0.1 0.874 92.7 41.3 -63.6 -46.1 -10.9 25.4 18.1 29 154 A Q T 4 S+ 0 0 167 -22,-0.3 -1,-0.2 1,-0.2 -21,-0.1 0.892 127.7 29.3 -74.5 -39.1 -11.4 26.3 21.8 30 155 A S T 4 S- 0 0 75 2,-0.1 -2,-0.2 0, 0.0 -1,-0.2 0.635 92.8-134.5 -92.8 -17.0 -9.3 29.4 21.9 31 156 A K < + 0 0 143 -4,-2.1 2,-0.4 1,-0.2 -3,-0.2 0.679 45.0 165.8 64.1 20.6 -9.8 30.6 18.2 32 157 A F - 0 0 100 -5,-0.4 -5,-2.2 1,-0.1 2,-0.4 -0.554 32.4-137.4 -71.4 119.2 -6.0 31.2 18.2 33 158 A I E +B 26 0A 73 -2,-0.4 54,-0.4 -7,-0.2 2,-0.3 -0.652 42.3 142.4 -80.1 132.1 -4.8 31.7 14.5 34 159 A L E -B 25 0A 7 -9,-2.9 -9,-2.5 -2,-0.4 2,-0.4 -0.904 48.6 -96.1-156.3 175.0 -1.5 29.8 13.9 35 160 A A E -BC 24 85A 7 50,-3.2 50,-3.8 -2,-0.3 2,-0.5 -0.907 26.8-159.1-110.3 138.0 0.4 27.8 11.3 36 161 A L E -BC 23 84A 0 -13,-2.9 -13,-3.3 -2,-0.4 2,-0.5 -0.967 1.7-162.5-117.0 119.7 0.4 24.0 11.2 37 162 A K E -BC 22 83A 60 46,-2.6 46,-2.5 -2,-0.5 2,-0.5 -0.925 9.2-157.1-102.6 127.5 3.2 22.2 9.4 38 163 A V E +BC 21 82A 10 -17,-2.9 -17,-0.7 -2,-0.5 2,-0.3 -0.926 13.2 179.6-109.7 125.7 2.4 18.6 8.7 39 164 A L E -BC 20 81A 5 42,-2.9 42,-3.6 -2,-0.5 2,-0.6 -0.943 24.6-128.2-125.7 145.1 5.3 16.1 8.1 40 165 A F E >> - C 0 80A 95 -21,-0.8 4,-1.8 -2,-0.3 3,-0.6 -0.841 8.0-147.7 -97.3 123.2 5.2 12.3 7.3 41 166 A K H 3> S+ 0 0 47 38,-2.8 4,-2.5 -2,-0.6 5,-0.3 0.928 98.9 56.4 -48.1 -53.4 7.3 10.1 9.6 42 167 A A H 3> S+ 0 0 51 37,-0.5 4,-1.8 1,-0.2 -1,-0.2 0.840 109.4 47.0 -50.0 -38.8 8.0 7.7 6.7 43 168 A Q H <> S+ 0 0 80 -3,-0.6 4,-0.8 2,-0.2 -1,-0.2 0.860 110.5 49.0 -76.9 -37.8 9.4 10.5 4.6 44 169 A L H X>S+ 0 0 5 -4,-1.8 5,-2.8 -3,-0.3 6,-0.6 0.900 114.2 47.3 -66.7 -42.2 11.7 12.0 7.3 45 170 A E H ><5S+ 0 0 115 -4,-2.5 3,-1.1 3,-0.2 -2,-0.2 0.927 107.0 55.9 -61.9 -48.4 13.2 8.6 8.1 46 171 A K H 3<5S+ 0 0 185 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.677 115.6 39.1 -62.7 -19.5 13.7 7.7 4.4 47 172 A A H 3<5S- 0 0 61 -4,-0.8 -1,-0.3 -3,-0.3 -2,-0.2 0.462 111.7-125.3-102.2 -8.9 15.8 10.9 4.1 48 173 A G T <<5S+ 0 0 60 -3,-1.1 4,-0.2 -4,-0.6 -3,-0.2 0.835 77.7 115.3 66.6 36.9 17.4 10.4 7.5 49 174 A V >< + 0 0 30 -5,-2.8 4,-2.2 -6,-0.1 -4,-0.2 0.251 37.5 100.1-116.9 10.2 16.4 13.8 8.9 50 175 A E H > S+ 0 0 68 -6,-0.6 4,-1.8 2,-0.2 -5,-0.1 0.942 90.1 41.4 -59.3 -49.9 14.0 12.7 11.7 51 176 A H H > S+ 0 0 101 1,-0.2 4,-2.5 2,-0.2 3,-0.4 0.961 111.4 55.9 -62.0 -52.6 16.6 13.2 14.4 52 177 A Q H > S+ 0 0 100 1,-0.3 4,-2.0 -4,-0.2 -1,-0.2 0.863 108.7 48.9 -45.2 -42.9 17.9 16.4 12.8 53 178 A L H X S+ 0 0 27 -4,-2.2 4,-2.5 2,-0.2 -1,-0.3 0.874 108.2 53.6 -68.4 -38.9 14.3 17.7 13.1 54 179 A R H X S+ 0 0 161 -4,-1.8 4,-2.4 -3,-0.4 -2,-0.2 0.922 110.4 46.2 -62.2 -46.5 14.0 16.7 16.7 55 180 A R H X S+ 0 0 144 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.907 114.3 48.1 -61.3 -43.6 17.2 18.5 17.7 56 181 A E H X S+ 0 0 26 -4,-2.0 4,-2.4 -5,-0.3 -2,-0.2 0.846 111.4 49.9 -68.1 -35.7 16.1 21.6 15.7 57 182 A V H X S+ 0 0 12 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.932 111.5 49.4 -65.4 -45.7 12.6 21.6 17.3 58 183 A E H X S+ 0 0 101 -4,-2.4 4,-0.6 1,-0.2 -2,-0.2 0.916 113.6 45.5 -60.9 -46.2 14.2 21.3 20.8 59 184 A I H >< S+ 0 0 11 -4,-2.5 3,-1.2 1,-0.2 4,-0.3 0.931 111.1 54.4 -59.8 -47.5 16.6 24.2 20.1 60 185 A Q H >< S+ 0 0 0 -4,-2.4 3,-2.4 1,-0.3 11,-0.3 0.886 98.3 61.3 -55.5 -44.7 13.7 26.3 18.6 61 186 A S H 3< S+ 0 0 41 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.748 100.0 57.2 -57.9 -24.8 11.5 25.9 21.7 62 187 A H T << S+ 0 0 112 -3,-1.2 2,-0.5 -4,-0.6 -1,-0.3 0.553 89.2 94.5 -79.7 -10.3 14.2 27.7 23.7 63 188 A L < + 0 0 3 -3,-2.4 2,-0.4 -4,-0.3 8,-0.3 -0.755 44.8 171.8 -96.9 124.4 14.1 30.7 21.5 64 189 A R + 0 0 116 -2,-0.5 5,-0.1 6,-0.1 -3,-0.0 -0.921 23.8 128.4-132.3 105.6 12.0 33.8 22.4 65 190 A H > - 0 0 40 3,-0.4 3,-2.0 -2,-0.4 53,-0.0 -0.970 61.6-123.5-160.1 138.9 12.5 36.9 20.2 66 191 A P T 3 S+ 0 0 88 0, 0.0 4,-0.1 0, 0.0 -1,-0.1 0.718 115.1 47.0 -57.6 -22.6 10.2 39.2 18.3 67 192 A N T 3 S+ 0 0 13 47,-0.1 80,-2.7 79,-0.1 2,-0.5 0.158 97.8 79.0-106.8 15.7 12.3 38.5 15.1 68 193 A I B < S-e 147 0B 3 -3,-2.0 -3,-0.4 78,-0.3 80,-0.2 -0.992 88.7-114.7-121.5 124.6 12.4 34.7 15.5 69 194 A L - 0 0 9 78,-2.7 2,-0.3 -2,-0.5 -6,-0.1 -0.381 38.2-122.5 -58.2 130.7 9.3 32.7 14.4 70 195 A R - 0 0 100 -4,-0.1 16,-2.8 -2,-0.1 2,-0.6 -0.582 13.8-152.1 -84.0 134.4 7.8 31.1 17.4 71 196 A L E -D 85 0A 4 -8,-0.3 14,-0.2 -2,-0.3 3,-0.1 -0.939 14.0-177.4 -98.3 115.4 7.3 27.4 17.8 72 197 A Y E - 0 0 85 12,-2.3 2,-0.3 -2,-0.6 13,-0.2 0.831 54.8 -49.9 -82.2 -35.4 4.4 26.9 20.2 73 198 A G E -D 84 0A 15 11,-1.3 11,-2.4 2,-0.0 2,-0.3 -0.961 47.7-135.9-179.7-176.3 4.3 23.1 20.4 74 199 A Y E +D 83 0A 135 -2,-0.3 -71,-0.3 9,-0.2 2,-0.3 -0.974 16.1 168.5-159.6 163.4 4.2 19.8 18.5 75 200 A F E -D 82 0A 4 7,-1.8 7,-3.6 -2,-0.3 2,-0.3 -0.961 13.8-147.6-164.7 177.7 2.6 16.4 18.4 76 201 A H E -D 81 0A 108 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.994 4.3-164.5-157.8 151.4 2.2 13.3 16.2 77 202 A D - 0 0 59 3,-1.8 -2,-0.0 -2,-0.3 -73,-0.0 -0.418 59.8 -54.3-117.2-164.4 -0.2 10.5 15.2 78 203 A A S S+ 0 0 93 1,-0.2 3,-0.0 -2,-0.2 -2,-0.0 0.822 130.5 2.2 -40.7 -50.1 0.4 7.2 13.5 79 204 A T S S+ 0 0 79 -38,-0.1 -38,-2.8 -39,-0.0 -37,-0.5 0.561 118.6 69.4-120.2 -15.7 2.1 8.5 10.3 80 205 A R E -C 40 0A 75 -40,-0.3 -3,-1.8 -39,-0.1 2,-0.4 -0.805 53.9-151.2-121.1 151.0 2.5 12.3 10.8 81 206 A V E -CD 39 76A 27 -42,-3.6 -42,-2.9 -2,-0.3 2,-0.5 -0.970 18.9-155.7-114.5 133.3 4.3 14.9 12.8 82 207 A Y E -CD 38 75A 0 -7,-3.6 -7,-1.8 -2,-0.4 2,-0.5 -0.941 6.7-163.8-118.2 121.2 2.7 18.3 13.5 83 208 A L E -CD 37 74A 5 -46,-2.5 -46,-2.6 -2,-0.5 2,-0.7 -0.891 11.6-150.2 -98.9 126.9 4.5 21.6 14.2 84 209 A I E +CD 36 73A 3 -11,-2.4 -12,-2.3 -2,-0.5 -11,-1.3 -0.883 30.1 178.9-100.0 112.3 2.4 24.3 15.7 85 210 A L E -CD 35 71A 12 -50,-3.8 -50,-3.2 -2,-0.7 -14,-0.2 -0.767 35.7 -93.8-122.4 154.5 3.9 27.6 14.6 86 211 A E - 0 0 33 -16,-2.8 2,-0.6 -2,-0.3 -52,-0.2 -0.418 43.3-127.6 -57.7 135.9 3.4 31.4 14.8 87 212 A Y - 0 0 71 -54,-0.4 -1,-0.1 -2,-0.1 -54,-0.1 -0.843 18.0-161.9 -92.7 119.3 1.5 32.6 11.8 88 213 A A > - 0 0 11 -2,-0.6 3,-1.0 1,-0.1 51,-0.2 -0.927 5.0-162.7-103.2 109.0 3.3 35.5 10.0 89 214 A P T 3 S+ 0 0 49 0, 0.0 51,-0.2 0, 0.0 -1,-0.1 0.756 77.1 58.4 -69.2 -31.6 0.6 37.2 7.9 90 215 A L T 3 S- 0 0 99 49,-1.8 50,-0.1 1,-0.2 2,-0.0 0.390 96.8-138.2 -88.4 3.9 2.6 39.2 5.4 91 216 A G < - 0 0 26 -3,-1.0 48,-1.8 48,-0.5 -1,-0.2 -0.289 40.2 -17.6 79.6-158.9 4.5 36.2 3.9 92 217 A T B > -F 138 0B 37 46,-0.2 4,-1.5 1,-0.1 46,-0.2 -0.438 41.8-131.3 -92.7 156.7 8.2 35.8 2.9 93 218 A V H > S+ 0 0 0 44,-2.6 4,-2.3 41,-0.9 42,-0.2 0.852 110.4 63.4 -69.3 -31.5 10.9 38.3 2.2 94 219 A Y H > S+ 0 0 101 40,-0.8 4,-1.5 43,-0.4 -1,-0.2 0.909 103.6 44.6 -53.0 -49.4 11.5 36.2 -0.9 95 220 A R H > S+ 0 0 147 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.892 110.8 54.7 -67.2 -37.6 8.1 37.1 -2.3 96 221 A E H X S+ 0 0 33 -4,-1.5 4,-2.6 1,-0.2 -2,-0.2 0.882 106.0 52.2 -63.4 -38.2 8.5 40.7 -1.4 97 222 A L H X S+ 0 0 12 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.855 108.7 51.4 -62.2 -39.3 11.8 40.8 -3.4 98 223 A Q H < S+ 0 0 135 -4,-1.5 -2,-0.2 2,-0.2 -1,-0.2 0.870 113.1 44.2 -64.9 -41.2 9.9 39.4 -6.4 99 224 A K H < S+ 0 0 139 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.931 126.3 30.8 -66.8 -44.6 7.2 42.1 -6.1 100 225 A L H < S- 0 0 85 -4,-2.6 2,-1.8 -5,-0.2 -2,-0.2 0.572 88.9-142.7 -96.2 -10.1 9.6 45.0 -5.6 101 226 A S S < S- 0 0 90 -4,-2.0 2,-0.3 -5,-0.2 -1,-0.1 -0.384 78.2 -0.1 75.6 -57.4 12.7 43.8 -7.5 102 227 A K S S- 0 0 98 -2,-1.8 2,-0.3 -6,-0.1 88,-0.2 -0.957 77.9-113.8-152.4 163.0 15.1 45.3 -4.9 103 228 A F - 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0 0 37 -2,-0.9 2,-0.3 -3,-0.1 -17,-0.1 -0.984 38.2-157.3-151.3 155.6 31.5 39.3 -6.8 214 347 A T - 0 0 109 -2,-0.3 -2,-0.0 -19,-0.2 0, 0.0 -0.883 19.9-119.9-129.4 164.7 31.1 42.9 -8.0 215 348 A F - 0 0 35 -2,-0.3 2,-0.1 4,-0.1 -28,-0.0 -0.825 22.3-119.8-103.3 140.8 28.6 45.7 -7.2 216 349 A P > - 0 0 35 0, 0.0 3,-1.5 0, 0.0 -1,-0.0 -0.394 37.9-103.6 -68.6 161.5 26.3 47.5 -9.6 217 350 A D T 3 S+ 0 0 158 1,-0.3 -2,-0.0 -2,-0.1 0, 0.0 0.769 114.8 64.1 -58.0 -32.3 26.9 51.3 -9.8 218 351 A F T 3 S+ 0 0 113 2,-0.0 2,-0.4 -27,-0.0 -1,-0.3 0.638 74.6 105.6 -73.4 -13.4 23.8 52.2 -7.7 219 352 A V S < S- 0 0 8 -3,-1.5 -4,-0.1 1,-0.1 -32,-0.0 -0.562 72.6-129.1 -70.2 122.6 25.2 50.5 -4.5 220 353 A T > - 0 0 54 -2,-0.4 4,-2.7 1,-0.1 5,-0.2 -0.198 17.0-106.9 -73.8 164.7 26.4 53.3 -2.2 221 354 A E H > S+ 0 0 175 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.828 117.8 51.1 -60.3 -39.0 29.8 53.6 -0.5 222 355 A G H > S+ 0 0 22 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.871 111.6 45.9 -69.5 -40.3 28.4 52.7 3.0 223 356 A A H > S+ 0 0 0 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.936 112.6 52.1 -65.5 -46.6 26.6 49.6 1.8 224 357 A R H X S+ 0 0 77 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.922 109.4 50.4 -51.3 -48.4 29.8 48.6 -0.2 225 358 A D H X S+ 0 0 63 -4,-2.3 4,-1.4 1,-0.2 -1,-0.2 0.912 113.2 44.3 -60.5 -46.2 31.8 49.0 3.0 226 359 A L H X S+ 0 0 3 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.935 114.1 47.7 -65.0 -49.6 29.5 46.9 5.1 227 360 A I H X S+ 0 0 1 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.919 110.9 52.0 -59.5 -45.8 29.0 44.1 2.6 228 361 A S H < S+ 0 0 55 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.816 109.6 49.7 -61.1 -34.8 32.8 43.8 1.9 229 362 A R H >< S+ 0 0 121 -4,-1.4 3,-0.6 -5,-0.2 -1,-0.2 0.844 114.1 45.3 -72.6 -34.5 33.5 43.5 5.7 230 363 A L H 3< S+ 0 0 0 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.879 104.4 62.6 -74.8 -37.2 30.9 40.8 6.1 231 364 A L T 3< S+ 0 0 4 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.1 0.196 70.7 144.0 -85.3 19.7 32.0 38.8 3.0 232 365 A K < - 0 0 84 -3,-0.6 6,-0.1 1,-0.1 5,-0.1 -0.337 49.7-140.6 -51.8 129.2 35.5 38.0 4.2 233 366 A H S S+ 0 0 76 -23,-0.1 -67,-0.2 1,-0.1 -1,-0.1 0.870 91.4 67.4 -62.5 -41.5 36.9 34.6 3.2 234 367 A N S > S- 0 0 81 1,-0.1 3,-2.1 -69,-0.1 4,-0.4 -0.780 78.0-150.0 -84.3 114.1 38.5 34.1 6.6 235 368 A P G > S+ 0 0 22 0, 0.0 3,-1.5 0, 0.0 -1,-0.1 0.839 94.3 59.7 -52.3 -40.5 35.7 33.8 9.3 236 369 A S G 3 S+ 0 0 85 1,-0.3 -3,-0.0 -3,-0.1 -2,-0.0 0.582 99.4 59.7 -70.2 -6.2 37.9 35.4 12.0 237 370 A Q G < S+ 0 0 119 -3,-2.1 -1,-0.3 -5,-0.1 -4,-0.1 0.560 82.0 98.5 -96.6 -12.0 38.2 38.5 9.9 238 371 A R S < S- 0 0 4 -3,-1.5 -8,-0.2 -4,-0.4 -58,-0.1 -0.506 81.2-111.8 -70.7 144.6 34.4 39.2 9.8 239 372 A P - 0 0 19 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.085 31.7 -97.0 -71.1 175.7 33.3 41.7 12.4 240 373 A M > - 0 0 104 1,-0.1 4,-1.6 -61,-0.0 3,-0.3 -0.533 34.1-107.7 -85.8 162.5 31.1 41.0 15.4 241 374 A L H > S+ 0 0 11 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.820 120.1 61.0 -60.2 -32.1 27.4 41.6 15.4 242 375 A R H > S+ 0 0 164 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.933 103.0 50.0 -56.1 -49.0 27.9 44.6 17.7 243 376 A E H 4 S+ 0 0 92 -3,-0.3 4,-0.3 1,-0.2 -2,-0.2 0.844 108.8 52.4 -62.7 -37.9 30.0 46.2 14.9 244 377 A V H >< S+ 0 0 0 -4,-1.6 3,-1.3 1,-0.2 -1,-0.2 0.938 109.7 48.4 -58.6 -49.0 27.3 45.5 12.4 245 378 A L H 3< S+ 0 0 19 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.678 114.8 46.5 -68.7 -17.3 24.7 47.2 14.6 246 379 A E T 3< S+ 0 0 125 -4,-1.1 -1,-0.3 -3,-0.2 -2,-0.2 0.316 81.6 126.1-106.4 3.1 27.0 50.2 15.1 247 380 A H X> - 0 0 21 -3,-1.3 4,-3.1 -4,-0.3 3,-0.5 -0.449 64.9-130.0 -67.1 134.4 27.9 50.6 11.4 248 381 A P H 3> S+ 0 0 91 0, 0.0 4,-3.0 0, 0.0 5,-0.2 0.852 107.7 52.5 -56.0 -40.1 27.3 54.2 10.2 249 382 A W H 3> S+ 0 0 15 -27,-0.2 4,-0.9 2,-0.2 5,-0.1 0.853 113.9 44.6 -64.7 -35.3 25.4 53.0 7.1 250 383 A I H X> S+ 0 0 3 -3,-0.5 4,-2.8 -6,-0.2 3,-0.6 0.954 115.2 46.1 -69.9 -52.4 23.2 50.9 9.3 251 384 A T H 3< S+ 0 0 90 -4,-3.1 -2,-0.2 1,-0.2 -1,-0.1 0.875 113.0 50.8 -61.2 -37.4 22.7 53.7 11.9 252 385 A A H 3< S+ 0 0 82 -4,-3.0 -1,-0.2 -5,-0.2 -2,-0.2 0.788 123.8 26.7 -67.6 -26.4 22.0 56.3 9.2 253 386 A N H << S+ 0 0 25 -4,-0.9 -143,-0.2 -3,-0.6 2,-0.2 0.685 90.5 103.9-115.3 -24.0 19.3 54.2 7.4 254 387 A S < - 0 0 25 -4,-2.8 -147,-0.1 -145,-0.2 -148,-0.1 -0.448 47.9-160.7 -72.4 132.8 17.7 51.8 9.9 255 388 A S S S+ 0 0 96 -149,-0.5 -1,-0.1 -2,-0.2 -148,-0.1 0.656 76.9 62.0 -78.3 -18.8 14.2 52.6 11.2 256 389 A K S S- 0 0 82 1,-0.1 -2,-0.1 -147,-0.0 -143,-0.1 -0.893 73.8-139.2-120.0 140.3 14.7 50.2 14.1 257 390 A P 0 0 109 0, 0.0 -140,-0.1 0, 0.0 -1,-0.1 -0.032 360.0 360.0 -82.1-172.2 17.2 50.2 17.1 258 391 A S 0 0 109 -13,-0.1 -13,-0.0 -142,-0.0 -2,-0.0 0.417 360.0 360.0 -94.5 360.0 19.2 47.5 18.8