==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 02-JUN-13 4BQS . COMPND 2 MOLECULE: SHIKIMATE KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR J.M.OTERO,C.GARCIA-DOVAL,A.L.LLAMAS-SAIZ,B.BLANCO,V.PRADO,E. . 507 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23748.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 355 70.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 51 10.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 22 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 222 43.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 2.0 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 0 1 5 3 3 0 2 1 3 0 0 0 0 3 3 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 9 3 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 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 3 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 2 A A 0 0 76 0, 0.0 68,-0.1 0, 0.0 67,-0.1 0.000 360.0 360.0 360.0 98.3 17.4 9.0 30.0 2 3 A P - 0 0 10 0, 0.0 93,-0.5 0, 0.0 71,-0.2 -0.300 360.0-133.3 -58.1 145.5 18.1 7.2 33.3 3 4 A K S S- 0 0 101 70,-1.2 2,-0.3 69,-0.6 71,-0.2 0.818 92.5 -0.2 -58.9 -36.1 21.2 5.1 33.6 4 5 A A E -a 74 0A 0 69,-1.1 71,-2.3 90,-0.0 2,-0.5 -0.977 60.0-149.8-156.8 149.5 18.8 2.5 35.2 5 6 A V E -ab 75 96A 0 90,-2.3 92,-3.5 -2,-0.3 2,-0.5 -0.981 19.1-149.6-118.6 127.9 15.1 2.1 36.1 6 7 A L E +ab 76 97A 0 69,-3.1 71,-2.2 -2,-0.5 2,-0.4 -0.845 17.2 179.6-101.0 130.6 14.4 -0.1 39.1 7 8 A V E + b 0 98A 2 90,-2.6 92,-3.0 -2,-0.5 2,-0.2 -0.970 20.3 110.5-129.8 147.6 11.1 -2.0 39.2 8 9 A G - 0 0 1 -2,-0.4 92,-0.1 69,-0.3 3,-0.1 -0.850 61.9 -71.9 166.7 162.2 9.7 -4.4 41.8 9 10 A L > - 0 0 3 90,-0.4 3,-1.9 -2,-0.2 5,-0.3 -0.205 68.2 -78.6 -61.9 163.1 7.1 -4.9 44.5 10 11 A P T 3 S+ 0 0 27 0, 0.0 -1,-0.1 0, 0.0 100,-0.1 -0.392 123.6 33.9 -62.0 145.5 7.4 -3.0 47.7 11 12 A G T 3 S+ 0 0 21 98,-0.1 -2,-0.1 -3,-0.1 98,-0.1 0.213 84.9 107.4 86.6 -14.6 10.0 -4.6 49.9 12 13 A S S < S- 0 0 0 -3,-1.9 -3,-0.1 89,-0.1 -5,-0.1 0.638 97.3-104.1 -67.3 -18.3 12.1 -5.6 46.9 13 14 A G >> + 0 0 12 -4,-0.2 4,-3.0 -5,-0.1 5,-0.5 0.721 67.0 150.2 104.0 29.7 14.7 -2.9 47.9 14 15 A K H >5S+ 0 0 25 -5,-0.3 4,-1.3 2,-0.2 -8,-0.1 0.856 80.6 36.4 -64.8 -39.1 14.1 -0.1 45.4 15 16 A S H >5S+ 0 0 58 2,-0.2 4,-1.8 3,-0.2 5,-0.3 0.905 120.2 47.9 -78.6 -40.7 15.1 2.7 47.8 16 17 A T H >5S+ 0 0 53 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.975 123.4 33.2 -59.9 -51.2 17.9 0.6 49.5 17 18 A I H X5S+ 0 0 5 -4,-3.0 4,-3.1 1,-0.2 5,-0.2 0.890 115.8 57.3 -73.4 -39.9 19.4 -0.5 46.2 18 19 A G H XS+ 0 0 3 -4,-1.5 5,-3.4 -5,-0.2 -1,-0.2 0.871 111.7 48.9 -72.5 -36.2 22.9 6.0 42.3 23 24 A K H ><5S+ 0 0 170 -4,-2.1 3,-1.8 3,-0.2 -2,-0.2 0.950 110.1 52.9 -59.8 -49.0 26.0 6.8 44.6 24 25 A A H 3<5S+ 0 0 57 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.829 113.7 41.2 -60.8 -35.4 28.0 4.1 42.8 25 26 A L T 3<5S- 0 0 39 -4,-1.4 -1,-0.3 2,-0.2 -2,-0.2 0.341 114.3-121.4 -91.5 3.5 27.2 5.6 39.4 26 27 A G T < 5S+ 0 0 66 -3,-1.8 2,-0.2 1,-0.2 -3,-0.2 0.823 73.4 109.6 60.3 37.7 27.7 9.1 40.8 27 28 A V < - 0 0 41 -5,-3.4 -1,-0.2 -6,-0.1 -2,-0.2 -0.833 69.5 -87.2-133.1 172.8 24.1 10.3 40.0 28 29 A G - 0 0 43 -2,-0.2 46,-2.3 -3,-0.1 2,-0.4 -0.314 32.4-126.4 -77.3 158.8 20.9 11.3 41.9 29 30 A L E -c 74 0A 59 44,-0.2 2,-0.4 -2,-0.1 46,-0.2 -0.901 20.9-168.0-102.9 135.9 18.1 8.9 42.9 30 31 A L E -c 75 0A 42 44,-2.7 46,-2.9 -2,-0.4 2,-0.6 -0.978 3.6-167.1-127.1 120.3 14.5 9.7 41.8 31 32 A D E > -c 76 0A 43 -2,-0.4 4,-2.8 44,-0.2 3,-0.4 -0.925 14.4-150.3-101.5 117.7 11.5 7.8 43.3 32 33 A T H > S+ 0 0 0 44,-2.0 4,-2.6 -2,-0.6 5,-0.2 0.795 96.2 62.6 -62.5 -31.8 8.3 8.4 41.4 33 34 A D H > S+ 0 0 49 43,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.941 109.7 39.4 -54.1 -48.9 6.3 7.9 44.6 34 35 A V H > S+ 0 0 60 -3,-0.4 4,-2.5 2,-0.2 5,-0.2 0.931 113.2 56.0 -67.6 -45.1 8.0 10.9 46.1 35 36 A A H X S+ 0 0 14 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.872 105.9 51.8 -52.9 -38.4 7.8 12.7 42.7 36 37 A I H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 6,-0.4 0.935 111.0 47.2 -61.8 -46.0 4.0 12.2 42.8 37 38 A E H X S+ 0 0 45 -4,-1.7 4,-1.4 2,-0.2 5,-0.2 0.845 113.9 47.5 -65.9 -35.7 3.8 13.7 46.3 38 39 A Q H < S+ 0 0 143 -4,-2.5 -2,-0.2 2,-0.2 -1,-0.2 0.908 112.7 49.3 -72.0 -42.0 6.0 16.6 45.3 39 40 A R H < S+ 0 0 123 -4,-2.6 -2,-0.2 -5,-0.2 -3,-0.2 0.960 124.1 28.6 -58.4 -48.8 3.9 17.2 42.1 40 41 A T H < S- 0 0 42 -4,-2.4 -1,-0.2 2,-0.2 -2,-0.2 0.579 91.1-132.1 -92.8 -15.0 0.6 17.1 43.9 41 42 A G S < S+ 0 0 51 -4,-1.4 2,-0.3 1,-0.2 -3,-0.1 0.655 74.9 109.6 62.7 15.7 1.3 18.3 47.4 42 43 A R S S- 0 0 66 -6,-0.4 295,-0.2 -5,-0.2 -1,-0.2 -0.880 72.6-111.5-123.0 154.5 -0.7 15.3 48.5 43 44 A S > - 0 0 12 293,-2.4 4,-1.7 -2,-0.3 5,-0.1 -0.376 27.5-119.5 -77.8 158.1 0.2 12.0 50.2 44 45 A I H > S+ 0 0 24 1,-0.2 4,-2.2 2,-0.2 3,-0.3 0.954 115.4 53.6 -63.1 -45.4 -0.1 8.8 48.3 45 46 A A H > S+ 0 0 25 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.851 105.5 53.8 -55.4 -39.3 -2.6 7.5 50.8 46 47 A D H > S+ 0 0 19 289,-0.3 4,-2.2 2,-0.2 5,-0.4 0.870 107.8 50.0 -67.1 -36.3 -4.8 10.6 50.4 47 48 A I H X>S+ 0 0 2 -4,-1.7 4,-2.4 -3,-0.3 5,-0.9 0.926 114.4 43.6 -68.0 -44.9 -5.0 10.2 46.6 48 49 A F H X5S+ 0 0 29 -4,-2.2 4,-1.4 3,-0.2 -2,-0.2 0.973 118.9 43.7 -57.6 -57.0 -6.0 6.5 46.9 49 50 A A H <5S+ 0 0 46 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.787 127.8 27.3 -57.9 -40.3 -8.5 7.2 49.7 50 51 A T H <5S+ 0 0 79 -4,-2.2 -3,-0.2 -5,-0.2 -2,-0.2 0.864 133.7 23.7 -97.7 -40.1 -10.0 10.3 48.2 51 52 A D H <5S- 0 0 65 -4,-2.4 4,-0.4 -5,-0.4 -3,-0.2 0.526 103.5-115.8-107.8 -13.8 -9.6 10.0 44.3 52 53 A G X< - 0 0 30 -4,-1.4 4,-2.0 -5,-0.9 -1,-0.1 0.057 27.3 -84.3 91.1 157.7 -9.3 6.3 43.7 53 54 A E H > S+ 0 0 71 1,-0.2 4,-3.4 2,-0.2 5,-0.2 0.896 123.5 61.5 -67.5 -43.5 -6.5 4.1 42.3 54 55 A Q H > S+ 0 0 180 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.904 108.0 44.2 -49.6 -47.8 -7.5 4.7 38.7 55 56 A E H >> S+ 0 0 60 -4,-0.4 4,-1.7 2,-0.2 3,-0.5 0.932 111.8 54.3 -68.2 -38.3 -6.8 8.5 39.2 56 57 A F H 3X S+ 0 0 5 -4,-2.0 4,-2.9 1,-0.2 -2,-0.2 0.943 105.3 53.1 -53.3 -47.5 -3.6 7.6 41.1 57 58 A R H 3X S+ 0 0 27 -4,-3.4 4,-2.0 1,-0.2 -1,-0.2 0.799 106.5 53.8 -61.1 -27.1 -2.4 5.5 38.1 58 59 A R H - 0 0 3 -2,-0.3 3,-1.8 1,-0.1 4,-0.4 -0.325 44.4 -99.0 -61.7 153.4 6.3 2.6 42.5 79 80 A G T 3 S+ 0 0 13 1,-0.3 3,-0.2 2,-0.1 -1,-0.1 0.693 117.9 38.8 -49.5 -31.1 5.3 -1.0 42.8 80 81 A G T > S+ 0 0 4 1,-0.2 3,-2.1 2,-0.1 4,-0.3 0.399 80.7 102.2-108.3 2.8 2.2 -0.9 40.5 81 82 A A G X S+ 0 0 0 -3,-1.8 3,-2.0 1,-0.3 6,-0.2 0.868 75.4 64.3 -54.3 -38.6 3.4 1.5 37.8 82 83 A V G 3 S+ 0 0 0 -4,-0.4 -1,-0.3 1,-0.3 6,-0.1 0.598 87.1 70.7 -63.5 -14.2 3.9 -1.5 35.5 83 84 A T G < S+ 0 0 43 -3,-2.1 -1,-0.3 4,-0.1 -2,-0.2 0.668 80.9 83.9 -76.9 -15.7 0.2 -2.2 35.5 84 85 A S S X> S- 0 0 11 -3,-2.0 4,-1.8 -4,-0.3 3,-1.6 -0.762 74.7-149.9 -87.5 117.8 -0.4 0.9 33.4 85 86 A P H 3> S+ 0 0 87 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.878 96.2 57.1 -59.3 -35.8 0.2 -0.1 29.8 86 87 A G H 3> S+ 0 0 15 1,-0.2 4,-1.3 2,-0.2 -4,-0.1 0.686 104.6 53.3 -71.1 -15.5 1.4 3.4 28.8 87 88 A V H <> S+ 0 0 0 -3,-1.6 4,-1.5 -6,-0.2 -1,-0.2 0.880 107.7 51.1 -77.0 -39.7 4.1 3.0 31.5 88 89 A R H < S+ 0 0 40 -4,-1.8 4,-0.4 1,-0.2 -2,-0.2 0.925 111.4 47.1 -64.6 -39.2 5.2 -0.3 29.9 89 90 A A H >< S+ 0 0 59 -4,-2.4 3,-1.4 1,-0.2 -1,-0.2 0.903 109.8 52.6 -68.1 -42.2 5.4 1.4 26.5 90 91 A A H 3< S+ 0 0 20 -4,-1.3 -1,-0.2 1,-0.3 -2,-0.2 0.803 101.7 62.4 -63.0 -26.7 7.4 4.4 27.8 91 92 A L T >< S+ 0 0 5 -4,-1.5 3,-2.0 -3,-0.2 -1,-0.3 0.618 77.5 115.8 -75.7 -13.6 9.8 2.0 29.4 92 93 A A T < S+ 0 0 79 -3,-1.4 3,-0.1 -4,-0.4 50,-0.0 -0.367 79.5 18.5 -61.6 135.9 10.8 0.6 25.9 93 94 A G T 3 S+ 0 0 90 1,-0.3 -1,-0.3 -2,-0.1 2,-0.2 0.250 102.6 112.7 87.0 -9.6 14.4 1.3 25.1 94 95 A H S < S- 0 0 41 -3,-2.0 2,-0.7 1,-0.1 -1,-0.3 -0.506 78.0-103.7 -93.8 164.0 15.4 1.9 28.7 95 96 A T - 0 0 53 -93,-0.5 -90,-2.3 -2,-0.2 2,-0.5 -0.795 45.6-171.3 -80.9 113.8 17.7 -0.1 31.1 96 97 A V E -b 5 0A 0 -2,-0.7 48,-2.9 -92,-0.2 49,-1.7 -0.933 11.8-165.9-121.5 113.5 15.2 -1.8 33.4 97 98 A V E -bd 6 145A 0 -92,-3.5 -90,-2.6 -2,-0.5 2,-0.7 -0.872 8.5-154.6-104.0 108.9 16.3 -3.7 36.5 98 99 A Y E -bd 7 146A 7 47,-2.7 49,-2.6 -2,-0.7 2,-0.9 -0.740 7.4-150.0 -81.0 112.7 13.7 -6.0 38.0 99 100 A L E - d 0 147A 1 -92,-3.0 2,-0.4 -2,-0.7 -90,-0.4 -0.782 17.5-155.1 -80.9 107.5 14.4 -6.5 41.8 100 101 A E E + d 0 148A 55 47,-3.2 49,-3.2 -2,-0.9 50,-0.5 -0.720 19.7 168.8 -91.2 129.6 13.0 -10.0 42.5 101 102 A I - 0 0 11 -2,-0.4 2,-0.1 47,-0.2 -89,-0.1 -0.946 31.8-117.1-134.1 148.6 11.9 -10.9 46.0 102 103 A S > - 0 0 45 -2,-0.3 4,-3.0 1,-0.1 5,-0.2 -0.481 30.0-112.9 -75.8 164.0 10.0 -13.9 47.4 103 104 A A H > S+ 0 0 16 1,-0.2 4,-3.1 2,-0.2 5,-0.3 0.927 114.8 51.4 -58.6 -48.7 6.6 -13.4 49.1 104 105 A A H > S+ 0 0 75 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.855 115.9 40.3 -67.0 -32.6 7.8 -14.3 52.5 105 106 A E H > S+ 0 0 37 2,-0.2 4,-2.5 3,-0.2 -1,-0.2 0.903 114.9 51.3 -83.5 -38.5 10.7 -12.0 52.4 106 107 A G H X S+ 0 0 0 -4,-3.0 4,-1.0 1,-0.2 -2,-0.2 0.907 113.0 46.9 -58.9 -46.7 8.8 -9.1 50.7 107 108 A V H < S+ 0 0 28 -4,-3.1 3,-0.4 -5,-0.2 -1,-0.2 0.904 112.9 49.2 -57.3 -48.5 6.1 -9.5 53.4 108 109 A R H >< S+ 0 0 161 -4,-1.5 3,-0.9 -5,-0.3 -2,-0.2 0.885 112.3 47.8 -63.1 -39.0 8.7 -9.6 56.2 109 110 A R H 3< S+ 0 0 80 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.665 113.6 47.9 -78.3 -19.1 10.5 -6.5 54.9 110 111 A T T 3< S+ 0 0 2 -4,-1.0 -1,-0.2 -3,-0.4 -2,-0.2 0.099 79.5 107.3-103.5 17.2 7.2 -4.6 54.5 111 112 A G < + 0 0 42 -3,-0.9 -1,-0.1 -4,-0.1 151,-0.1 0.321 54.9 93.9 -84.4 9.6 5.7 -5.4 58.0 112 113 A G S S- 0 0 44 -3,-0.2 151,-0.5 150,-0.1 200,-0.1 0.009 95.1 -80.3 -80.3-157.8 6.2 -2.0 59.7 113 114 A N S S+ 0 0 72 149,-0.2 153,-0.2 198,-0.1 2,-0.1 0.142 75.4 135.0 -99.2 20.0 3.7 0.8 60.0 114 115 A T - 0 0 70 -4,-0.1 2,-0.5 1,-0.1 149,-0.4 -0.469 61.4-116.3 -60.5 137.4 4.1 2.3 56.5 115 116 A V + 0 0 46 -2,-0.1 149,-0.2 147,-0.1 -70,-0.1 -0.696 39.4 173.7 -78.6 123.1 0.7 3.1 55.0 116 117 A R > - 0 0 51 147,-2.4 3,-2.0 -2,-0.5 149,-0.0 -0.896 21.2-160.5-136.6 107.9 0.1 1.0 51.9 117 118 A P T 3 S+ 0 0 47 0, 0.0 3,-0.3 0, 0.0 -1,-0.1 0.878 96.4 38.1 -56.0 -39.7 -3.3 1.3 50.3 118 119 A L T 3 S+ 0 0 59 1,-0.2 13,-0.1 53,-0.0 2,-0.1 0.273 117.8 52.4 -96.2 12.3 -2.9 -2.0 48.4 119 120 A L S < S+ 0 0 3 -3,-2.0 2,-0.3 144,-0.2 -1,-0.2 -0.424 72.2 125.9-148.9 77.1 -1.1 -3.8 51.2 120 121 A A - 0 0 5 -3,-0.3 143,-0.2 2,-0.1 141,-0.1 -0.915 49.2 -60.9-130.3 151.0 -2.8 -3.7 54.5 121 122 A G S S+ 0 0 1 141,-2.0 2,-0.1 139,-0.6 139,-0.1 -0.087 86.2 60.7 -67.7 170.9 -3.9 -6.3 57.0 122 123 A P S S+ 0 0 4 0, 0.0 -2,-0.1 0, 0.0 138,-0.0 0.765 126.5 7.4 -77.6 164.2 -5.6 -8.7 57.6 123 124 A D S > S+ 0 0 79 -2,-0.1 4,-2.0 3,-0.1 5,-0.1 0.870 79.2 154.1 73.2 38.9 -4.3 -11.3 55.1 124 125 A R H > S+ 0 0 25 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.911 71.6 52.0 -70.8 -39.3 -1.5 -9.0 54.0 125 126 A A H > S+ 0 0 30 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.910 106.5 52.5 -62.7 -44.4 0.7 -11.9 52.9 126 127 A E H > S+ 0 0 117 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.903 110.4 50.2 -59.5 -39.2 -2.2 -13.3 50.8 127 128 A K H X S+ 0 0 72 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.886 107.5 52.6 -61.6 -41.9 -2.4 -9.8 49.1 128 129 A Y H X S+ 0 0 0 -4,-2.2 4,-2.8 1,-0.2 -2,-0.2 0.917 108.2 49.8 -64.9 -45.4 1.3 -9.7 48.4 129 130 A R H X S+ 0 0 140 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.869 110.0 51.8 -63.4 -33.6 1.1 -13.1 46.7 130 131 A A H X S+ 0 0 61 -4,-1.8 4,-2.4 -5,-0.2 -2,-0.2 0.931 110.0 49.1 -66.3 -41.3 -1.8 -11.8 44.6 131 132 A L H X S+ 0 0 26 -4,-2.5 4,-2.6 2,-0.2 5,-0.3 0.915 113.0 48.2 -61.2 -42.7 0.3 -8.7 43.7 132 133 A M H X S+ 0 0 37 -4,-2.8 4,-3.3 2,-0.2 -2,-0.2 0.963 110.8 48.4 -60.5 -58.1 3.2 -11.0 42.7 133 134 A A H < S+ 0 0 75 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.922 118.6 41.8 -46.5 -49.5 1.1 -13.4 40.6 134 135 A K H < S+ 0 0 140 -4,-2.4 4,-0.4 -5,-0.2 -1,-0.2 0.907 126.6 29.9 -64.9 -42.6 -0.5 -10.4 38.8 135 136 A R H X S+ 0 0 15 -4,-2.6 4,-2.8 -5,-0.2 5,-0.3 0.709 94.0 82.3-103.4 -20.8 2.8 -8.3 38.4 136 137 A A H X S+ 0 0 8 -4,-3.3 4,-2.4 -5,-0.3 -1,-0.2 0.901 97.1 48.1 -53.3 -44.0 5.7 -10.7 38.1 137 138 A P H > S+ 0 0 67 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.897 110.5 51.7 -60.4 -42.0 5.0 -11.2 34.4 138 139 A L H > S+ 0 0 29 -4,-0.4 4,-1.8 2,-0.2 -2,-0.2 0.892 110.7 47.6 -62.6 -43.6 4.7 -7.5 33.8 139 140 A Y H X S+ 0 0 2 -4,-2.8 4,-2.2 2,-0.2 -1,-0.2 0.922 112.4 50.3 -61.9 -41.5 8.1 -6.9 35.5 140 141 A R H < S+ 0 0 118 -4,-2.4 -2,-0.2 -5,-0.3 -1,-0.2 0.906 108.0 53.0 -63.8 -41.1 9.6 -9.7 33.5 141 142 A R H < S+ 0 0 152 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.896 117.9 34.7 -61.3 -44.2 8.2 -8.3 30.2 142 143 A V H < S+ 0 0 15 -4,-1.8 -1,-0.2 -5,-0.1 -2,-0.2 0.768 95.7 101.8 -86.9 -20.9 9.7 -4.8 30.8 143 144 A A < - 0 0 20 -4,-2.2 -46,-0.2 -5,-0.2 3,-0.1 -0.272 45.4-171.4 -66.4 142.2 13.0 -5.8 32.5 144 145 A T S S+ 0 0 86 -48,-2.9 2,-0.3 1,-0.3 -47,-0.2 0.388 83.6 22.5-100.1 -1.3 16.3 -5.8 30.7 145 146 A M E -d 97 0A 19 -49,-1.7 -47,-2.7 2,-0.0 2,-0.4 -0.930 69.1-151.3-164.1 133.3 17.9 -7.4 33.7 146 147 A R E -d 98 0A 130 -2,-0.3 2,-0.4 -49,-0.2 -47,-0.2 -0.955 12.5-173.4-114.1 129.9 16.6 -9.5 36.7 147 148 A V E -d 99 0A 1 -49,-2.6 -47,-3.2 -2,-0.4 2,-0.5 -0.979 22.0-135.2-125.2 125.9 18.3 -9.6 40.1 148 149 A D E +d 100 0A 66 -2,-0.4 -47,-0.2 -49,-0.2 4,-0.2 -0.646 22.6 177.2 -68.2 120.9 17.4 -11.8 43.1 149 150 A T + 0 0 3 -49,-3.2 -48,-0.2 -2,-0.5 -1,-0.1 0.416 50.2 103.9-105.5 6.6 17.4 -9.5 46.2 150 151 A N S S+ 0 0 52 -50,-0.5 -1,-0.1 1,-0.2 -49,-0.1 0.937 97.8 2.9 -57.6 -71.0 16.3 -12.4 48.5 151 152 A R S S+ 0 0 226 2,-0.1 -1,-0.2 3,-0.0 -2,-0.1 0.948 101.6 111.6 -80.8 -46.2 19.4 -13.3 50.4 152 153 A R - 0 0 60 -4,-0.2 5,-0.0 1,-0.1 0, 0.0 0.066 67.7-132.2 -49.3 113.1 21.8 -10.8 49.0 153 154 A N >> - 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0 0 72 1,-0.1 4,-1.1 -4,-0.1 3,-0.4 -0.914 49.8-174.4-121.9 110.1 24.4 19.6 85.9 494 155 C P H > S+ 0 0 40 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.799 86.7 65.5 -59.5 -26.4 20.7 19.8 85.1 495 156 C G H > S+ 0 0 9 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.906 100.0 48.9 -64.5 -42.4 20.3 17.1 87.8 496 157 C A H > S+ 0 0 29 -3,-0.4 4,-2.4 2,-0.2 -1,-0.2 0.752 108.6 52.8 -68.8 -32.2 21.5 19.6 90.5 497 158 C V H X S+ 0 0 3 -4,-1.1 4,-2.6 2,-0.2 -1,-0.2 0.915 111.9 46.6 -65.5 -43.0 19.1 22.3 89.3 498 159 C V H X S+ 0 0 13 -4,-2.2 4,-3.1 2,-0.2 -2,-0.2 0.922 112.5 49.3 -64.8 -44.3 16.2 19.8 89.5 499 160 C R H X S+ 0 0 157 -4,-2.5 4,-2.3 2,-0.2 5,-0.2 0.955 110.9 50.9 -58.6 -51.0 17.3 18.7 93.0 500 161 C H H X S+ 0 0 83 -4,-2.4 4,-1.7 1,-0.2 -2,-0.2 0.922 112.0 46.9 -56.1 -42.5 17.6 22.3 93.9 501 162 C I H X S+ 0 0 0 -4,-2.6 4,-2.9 1,-0.2 -2,-0.2 0.931 109.5 52.9 -66.8 -44.5 14.0 23.0 92.6 502 163 C L H X S+ 0 0 34 -4,-3.1 4,-1.6 1,-0.2 -1,-0.2 0.912 109.5 49.0 -56.4 -41.7 12.5 19.9 94.3 503 164 C S H X S+ 0 0 55 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.861 113.7 45.3 -77.0 -30.2 13.9 20.9 97.7 504 165 C R H < S+ 0 0 91 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.837 111.0 53.6 -77.3 -32.9 12.6 24.5 97.4 505 166 C L H < S+ 0 0 53 -4,-2.9 -2,-0.2 -5,-0.2 -1,-0.2 0.871 118.7 36.7 -58.5 -36.2 9.2 23.3 96.2 506 167 C Q H < S+ 0 0 141 -4,-1.6 -2,-0.2 -5,-0.2 -3,-0.2 0.902 103.1 67.3 -90.7 -46.2 8.9 21.0 99.2 507 168 C V S < S- 0 0 85 -4,-2.0 0, 0.0 -5,-0.2 0, 0.0 -0.557 92.0 -93.6 -89.2 146.4 10.4 22.7 102.3 508 169 C P 0 0 130 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.253 360.0 360.0 -56.1 131.5 8.9 25.8 104.0 509 170 C S 0 0 135 -4,-0.1 -2,-0.0 -3,-0.1 -4,-0.0 0.583 360.0 360.0 -77.5 360.0 10.4 29.0 102.7