==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 04-APR-07 2YSW . COMPND 2 MOLECULE: 3-DEHYDROQUINATE DEHYDRATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: AQUIFEX AEOLICUS; . AUTHOR T.TANAKA,T.S.KUMAREVEL,A.EBIHARA,L.CHEN,Z.Q.FU,J.CHRZAS,B.C. . 657 3 1 0 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28274.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 502 76.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 126 19.2 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 . 1 0.2 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 . 41 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 93 14.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 209 31.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 19 2.9 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 3 0 0 0 3 0 2 7 0 8 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 6 0 6 3 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 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 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 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 1 A M 0 0 29 0, 0.0 2,-0.4 0, 0.0 189,-0.2 0.000 360.0 360.0 360.0 110.0 1.8 32.0 1.9 2 2 A L E -a 190 0A 59 187,-2.1 189,-2.4 23,-0.1 2,-0.5 -0.725 360.0-142.7 -85.4 135.3 -0.3 33.6 4.6 3 3 A I E -a 191 0A 0 -2,-0.4 23,-2.3 20,-0.2 22,-2.1 -0.877 16.8-168.0-105.4 125.4 -1.5 37.0 3.8 4 4 A A E -ab 192 26A 0 187,-3.1 189,-2.8 -2,-0.5 23,-0.2 -0.846 8.4-158.2-113.4 148.0 -1.7 39.6 6.5 5 5 A V E - b 0 27A 0 21,-1.7 23,-2.5 -2,-0.3 2,-0.3 -0.991 15.2-137.9-127.5 121.5 -3.4 43.0 6.5 6 6 A P E + b 0 28A 45 0, 0.0 2,-0.4 0, 0.0 189,-0.3 -0.614 28.2 179.4 -77.9 136.0 -2.3 45.8 8.9 7 7 A L E - b 0 29A 11 21,-2.7 23,-2.0 -2,-0.3 26,-0.1 -0.999 20.7-154.2-140.7 140.8 -5.2 47.7 10.5 8 8 A D - 0 0 57 -2,-0.4 26,-0.2 2,-0.2 23,-0.1 -0.262 46.7 -91.0 -93.4-167.1 -5.4 50.5 12.9 9 9 A D S > S+ 0 0 12 24,-0.3 3,-0.9 21,-0.2 2,-0.4 0.413 89.0 109.8 -92.1 4.9 -8.6 50.9 15.0 10 10 A T T 3 S- 0 0 76 1,-0.3 -2,-0.2 2,-0.1 5,-0.1 -0.655 97.6 -7.6 -81.7 131.6 -10.6 53.2 12.7 11 11 A N T 3> S+ 0 0 100 -2,-0.4 4,-2.9 3,-0.1 5,-0.3 0.820 85.4 164.8 54.4 33.6 -13.6 51.4 11.0 12 12 A F H <> + 0 0 7 -3,-0.9 4,-3.6 1,-0.2 5,-0.3 0.895 65.1 48.7 -47.9 -56.2 -12.4 48.1 12.5 13 13 A S H > S+ 0 0 69 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.899 116.3 42.1 -55.7 -45.9 -15.5 46.1 11.9 14 14 A E H > S+ 0 0 111 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.942 117.2 47.2 -67.7 -45.6 -16.0 47.1 8.3 15 15 A N H X S+ 0 0 28 -4,-2.9 4,-2.7 1,-0.2 -2,-0.2 0.924 112.6 50.1 -60.4 -43.6 -12.3 46.8 7.5 16 16 A L H X S+ 0 0 3 -4,-3.6 4,-2.2 -5,-0.3 -1,-0.2 0.871 109.5 51.8 -62.1 -38.3 -12.1 43.4 9.2 17 17 A K H X S+ 0 0 100 -4,-1.9 4,-2.2 -5,-0.3 -1,-0.2 0.918 111.2 46.1 -66.0 -43.2 -15.2 42.3 7.2 18 18 A K H X S+ 0 0 65 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.905 110.5 54.5 -64.8 -40.8 -13.5 43.3 4.0 19 19 A A H <>S+ 0 0 0 -4,-2.7 5,-2.7 1,-0.2 4,-0.4 0.915 111.6 44.2 -59.1 -44.9 -10.3 41.6 5.0 20 20 A K H ><5S+ 0 0 54 -4,-2.2 3,-0.8 1,-0.2 -1,-0.2 0.900 114.5 47.4 -68.0 -42.7 -12.1 38.3 5.6 21 21 A E H 3<5S+ 0 0 123 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.766 109.5 53.8 -72.1 -26.2 -14.2 38.4 2.5 22 22 A K T 3<5S- 0 0 48 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.482 124.7 -96.2 -87.8 -3.0 -11.3 39.3 0.2 23 23 A G T < 5 + 0 0 24 -3,-0.8 -20,-0.2 -4,-0.4 -3,-0.2 0.596 63.8 158.2 103.8 11.9 -9.2 36.4 1.4 24 24 A A < - 0 0 3 -5,-2.7 -1,-0.2 -6,-0.2 -20,-0.2 -0.426 24.1-166.1 -69.4 143.9 -6.9 37.7 4.1 25 25 A D S S+ 0 0 47 -22,-2.1 30,-2.6 1,-0.2 2,-0.3 0.685 70.9 29.9 -99.1 -25.0 -5.6 35.0 6.5 26 26 A I E -bc 4 55A 0 -23,-2.3 -21,-1.7 28,-0.2 2,-0.5 -0.969 57.5-153.0-139.6 150.3 -4.3 37.5 9.2 27 27 A V E -bc 5 56A 0 28,-2.5 30,-1.7 -2,-0.3 2,-0.7 -0.993 16.7-151.9-120.9 121.1 -5.0 40.9 10.6 28 28 A E E -bc 6 57A 3 -23,-2.5 -21,-2.7 -2,-0.5 2,-0.9 -0.868 11.0-144.3 -95.1 119.1 -2.0 42.7 12.1 29 29 A L E -bc 7 58A 0 28,-2.6 30,-2.0 -2,-0.7 2,-1.7 -0.755 5.5-158.4 -85.3 109.2 -3.1 45.0 14.8 30 30 A R E > + c 0 59A 40 -23,-2.0 3,-2.4 -2,-0.9 -21,-0.2 -0.621 17.0 175.4 -86.8 79.1 -0.9 48.1 14.6 31 31 A V G > S+ 0 0 0 28,-2.3 3,-1.7 -2,-1.7 29,-0.2 0.760 71.9 70.0 -58.0 -25.7 -1.6 49.1 18.2 32 32 A D G 3 S+ 0 0 1 27,-0.5 -1,-0.3 1,-0.3 28,-0.1 0.646 102.6 45.3 -67.2 -13.8 1.0 51.9 17.9 33 33 A Q G < S+ 0 0 75 -3,-2.4 -24,-0.3 -26,-0.1 -1,-0.3 0.268 90.4 115.8-109.1 6.3 -1.5 53.6 15.5 34 34 A F < - 0 0 5 -3,-1.7 3,-0.1 -26,-0.2 -26,-0.0 -0.448 63.7-142.3 -76.7 150.5 -4.6 52.9 17.8 35 35 A S S S+ 0 0 97 1,-0.2 2,-0.3 -2,-0.1 -1,-0.1 0.566 95.7 33.5 -86.4 -8.7 -6.5 55.8 19.3 36 36 A D + 0 0 62 -5,-0.1 -1,-0.2 2,-0.1 -3,-0.1 -0.975 58.2 177.1-145.8 127.3 -6.9 53.7 22.5 37 37 A T + 0 0 34 -2,-0.3 39,-0.1 -3,-0.1 -1,-0.0 0.167 32.6 139.1-118.4 18.2 -4.3 51.2 23.8 38 38 A S > - 0 0 52 1,-0.1 4,-2.3 4,-0.0 3,-0.3 -0.257 64.6-110.1 -62.3 150.7 -6.0 50.1 27.0 39 39 A L H > S+ 0 0 36 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.913 114.6 41.2 -47.2 -56.7 -5.7 46.4 27.8 40 40 A N H > S+ 0 0 113 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.787 110.6 57.3 -69.3 -26.5 -9.4 45.5 27.2 41 41 A Y H > S+ 0 0 65 -3,-0.3 4,-1.5 2,-0.2 -1,-0.2 0.952 113.0 40.0 -67.5 -47.7 -9.7 47.7 24.1 42 42 A V H X S+ 0 0 0 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.911 113.5 54.9 -67.7 -41.1 -6.9 45.8 22.4 43 43 A K H X S+ 0 0 60 -4,-2.5 4,-2.3 -5,-0.3 -1,-0.2 0.914 105.5 53.1 -57.1 -44.9 -8.1 42.5 23.8 44 44 A E H X S+ 0 0 98 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.893 106.6 52.3 -58.8 -41.2 -11.5 43.1 22.2 45 45 A K H X S+ 0 0 22 -4,-1.5 4,-2.0 1,-0.2 -1,-0.2 0.876 108.0 52.4 -62.7 -38.7 -9.9 43.8 18.8 46 46 A L H X S+ 0 0 1 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.946 110.8 46.1 -61.9 -50.2 -8.1 40.5 19.1 47 47 A E H X S+ 0 0 92 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.890 108.9 55.3 -61.9 -41.6 -11.3 38.5 19.8 48 48 A E H X S+ 0 0 36 -4,-2.4 4,-0.9 2,-0.2 -1,-0.2 0.947 108.3 48.9 -57.5 -48.0 -13.2 40.2 17.0 49 49 A V H ><>S+ 0 0 0 -4,-2.0 5,-1.6 1,-0.2 3,-1.2 0.942 112.3 47.8 -56.7 -50.1 -10.6 39.1 14.5 50 50 A H H ><5S+ 0 0 33 -4,-2.2 3,-2.0 1,-0.3 -1,-0.2 0.856 104.5 60.2 -59.2 -37.1 -10.7 35.6 15.8 51 51 A S H 3<5S+ 0 0 62 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.711 101.7 55.1 -66.3 -18.2 -14.5 35.5 15.7 52 52 A Q T <<5S- 0 0 44 -3,-1.2 -1,-0.3 -4,-0.9 -2,-0.2 0.340 122.5-106.9 -94.8 6.0 -14.2 36.2 11.9 53 53 A G T < 5S+ 0 0 23 -3,-2.0 2,-0.2 1,-0.3 -3,-0.2 0.554 80.4 119.3 83.1 7.3 -12.0 33.2 11.5 54 54 A L < - 0 0 17 -5,-1.6 -1,-0.3 1,-0.0 -28,-0.2 -0.606 59.2-118.3-103.7 167.4 -8.7 35.0 10.9 55 55 A K E -c 26 0A 95 -30,-2.6 -28,-2.5 -2,-0.2 2,-0.3 -0.589 26.2-134.2 -98.4 165.5 -5.5 35.0 12.8 56 56 A T E -c 27 0A 0 -30,-0.2 30,-1.9 -2,-0.2 2,-0.5 -0.880 12.9-160.1-124.5 153.8 -3.8 37.9 14.5 57 57 A I E -cd 28 86A 0 -30,-1.7 -28,-2.6 -2,-0.3 2,-0.8 -0.994 20.1-146.0-127.5 118.0 -0.4 39.5 14.9 58 58 A L E +cd 29 87A 0 28,-2.9 30,-2.7 -2,-0.5 2,-0.4 -0.800 26.5 176.5 -88.1 112.4 -0.1 41.8 17.9 59 59 A T E +cd 30 88A 0 -30,-2.0 -28,-2.3 -2,-0.8 -27,-0.5 -0.969 23.3 171.1-123.5 133.4 2.2 44.7 17.0 60 60 A I - 0 0 0 28,-0.7 10,-0.1 -2,-0.4 7,-0.1 -0.613 28.2-153.9-136.4 70.5 3.2 47.7 19.1 61 61 A R - 0 0 17 -2,-0.1 7,-1.3 5,-0.1 5,-0.1 -0.243 11.5-129.7 -54.5 121.9 5.9 49.3 17.0 62 62 A S > - 0 0 3 5,-0.2 5,-2.4 1,-0.1 3,-0.4 -0.255 23.6-109.2 -67.9 158.0 8.4 51.4 19.0 63 63 A P T > 5S+ 0 0 63 0, 0.0 3,-2.0 0, 0.0 -1,-0.1 0.921 117.6 60.7 -56.2 -44.0 9.2 54.9 17.8 64 64 A E T 3 5S+ 0 0 142 1,-0.3 -3,-0.0 2,-0.1 -2,-0.0 0.895 107.6 45.5 -50.2 -43.5 12.7 53.9 16.7 65 65 A E T 3 5S- 0 0 18 -3,-0.4 -1,-0.3 52,-0.1 3,-0.1 0.012 133.2 -80.1 -94.8 29.5 11.1 51.4 14.2 66 66 A G T < 5S+ 0 0 46 -3,-2.0 -2,-0.1 1,-0.2 -5,-0.1 0.555 101.7 93.2 92.3 6.8 8.5 53.6 12.7 67 67 A G < - 0 0 17 -5,-2.4 2,-0.3 -7,-0.1 -5,-0.2 0.058 68.4-109.9-105.8-143.2 5.7 53.5 15.3 68 68 A R - 0 0 129 -7,-1.3 2,-0.1 -3,-0.1 -3,-0.0 -0.972 39.6 -67.2-151.9 164.7 5.0 55.7 18.3 69 69 A E - 0 0 130 -2,-0.3 2,-0.5 -7,-0.1 3,-0.1 -0.320 39.2-177.2 -60.7 127.3 5.1 55.8 22.0 70 70 A V > - 0 0 8 1,-0.1 3,-1.8 -10,-0.1 4,-0.2 -0.949 14.0-156.6-126.4 103.8 2.7 53.4 23.7 71 71 A K T 3 S+ 0 0 179 -2,-0.5 3,-0.3 1,-0.3 -1,-0.1 0.837 91.1 38.9 -49.3 -43.9 3.0 53.9 27.5 72 72 A N T 3> S+ 0 0 31 1,-0.2 4,-2.6 2,-0.1 -1,-0.3 0.031 75.4 122.8-101.1 29.5 1.6 50.5 28.4 73 73 A R H <> S+ 0 0 40 -3,-1.8 4,-2.8 1,-0.2 5,-0.2 0.860 74.0 53.6 -59.7 -35.3 3.2 48.5 25.6 74 74 A E H > S+ 0 0 96 -3,-0.3 4,-2.5 -4,-0.2 -1,-0.2 0.918 110.5 46.7 -65.4 -42.0 5.0 46.1 28.1 75 75 A E H > S+ 0 0 79 -3,-0.2 4,-2.7 2,-0.2 5,-0.3 0.942 113.2 49.4 -63.0 -48.6 1.6 45.4 29.8 76 76 A L H X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 5,-0.4 0.944 113.0 46.2 -57.8 -49.7 -0.1 44.8 26.5 77 77 A F H X S+ 0 0 0 -4,-2.8 4,-1.8 1,-0.2 -2,-0.2 0.972 116.4 43.6 -58.2 -55.9 2.7 42.5 25.2 78 78 A E H < S+ 0 0 56 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.874 122.9 36.4 -59.4 -40.0 2.9 40.4 28.4 79 79 A E H < S+ 0 0 107 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.761 124.8 35.0 -88.1 -26.8 -0.9 40.1 28.9 80 80 A L H >< S+ 0 0 2 -4,-2.7 3,-1.3 -5,-0.3 4,-0.4 0.574 93.4 84.9-104.8 -10.8 -2.2 39.8 25.4 81 81 A S G >< S+ 0 0 0 -4,-1.8 3,-1.4 -5,-0.4 -3,-0.1 0.890 89.0 54.3 -56.5 -42.2 0.5 37.8 23.8 82 82 A P G 3 S+ 0 0 37 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.681 108.2 51.8 -68.5 -11.7 -1.0 34.6 25.0 83 83 A L G < S+ 0 0 72 -3,-1.3 2,-0.4 -4,-0.0 -2,-0.2 0.396 100.3 73.3-102.8 1.3 -4.3 35.6 23.3 84 84 A S S < S- 0 0 0 -3,-1.4 26,-0.2 -4,-0.4 3,-0.1 -0.914 75.0-135.8-117.3 143.6 -2.7 36.4 19.9 85 85 A D S S+ 0 0 27 -2,-0.4 25,-2.6 1,-0.2 2,-0.3 0.926 95.1 14.5 -60.5 -43.7 -1.5 33.8 17.3 86 86 A Y E -de 57 110A 19 -30,-1.9 -28,-2.9 23,-0.2 2,-0.5 -0.976 64.2-160.0-133.1 146.4 1.6 35.9 16.7 87 87 A T E -de 58 111A 0 23,-1.8 25,-2.8 -2,-0.3 2,-0.7 -0.995 15.1-146.9-126.3 121.4 3.2 38.8 18.7 88 88 A D E +de 59 112A 0 -30,-2.7 -28,-0.7 -2,-0.5 2,-0.4 -0.818 23.6 173.8 -93.8 112.5 5.6 41.0 16.7 89 89 A I E - e 0 113A 0 23,-3.0 25,-1.7 -2,-0.7 2,-0.1 -0.961 32.8-114.8-120.6 134.2 8.4 42.3 19.0 90 90 A E E > - e 0 114A 0 -2,-0.4 3,-2.0 23,-0.2 25,-0.2 -0.440 15.9-132.1 -67.7 137.6 11.4 44.3 17.7 91 91 A L T 3 S+ 0 0 12 23,-3.0 -1,-0.1 1,-0.3 6,-0.1 0.860 107.5 63.3 -55.6 -36.9 14.8 42.6 18.1 92 92 A S T 3 S+ 0 0 64 22,-0.5 2,-1.5 1,-0.2 -1,-0.3 0.644 81.5 80.9 -65.2 -15.6 16.0 45.9 19.6 93 93 A S X> + 0 0 19 -3,-2.0 3,-1.5 1,-0.2 4,-1.0 -0.432 60.0 163.8 -89.1 62.0 13.6 45.5 22.5 94 94 A R H 3> + 0 0 105 -2,-1.5 4,-0.7 1,-0.3 -1,-0.2 0.753 62.7 61.5 -50.4 -37.2 16.1 43.1 24.2 95 95 A G H 34 S+ 0 0 61 -3,-0.2 4,-0.5 1,-0.2 -1,-0.3 0.776 108.3 43.1 -65.9 -25.9 14.5 43.3 27.7 96 96 A L H <> S+ 0 0 19 -3,-1.5 4,-3.3 2,-0.1 5,-0.3 0.688 93.3 82.0 -93.0 -20.8 11.2 41.9 26.4 97 97 A L H X S+ 0 0 0 -4,-1.0 4,-1.7 1,-0.2 5,-0.1 0.893 96.5 39.1 -52.1 -53.1 12.5 39.1 24.2 98 98 A V H X S+ 0 0 83 -4,-0.7 4,-2.3 2,-0.2 -1,-0.2 0.937 118.5 49.6 -65.9 -45.2 13.1 36.4 26.8 99 99 A K H > S+ 0 0 89 -4,-0.5 4,-2.3 1,-0.2 -2,-0.2 0.945 113.3 45.2 -57.4 -53.6 9.9 37.4 28.8 100 100 A L H X S+ 0 0 0 -4,-3.3 4,-2.2 1,-0.2 5,-0.3 0.791 110.2 55.2 -64.5 -29.5 7.7 37.3 25.7 101 101 A Y H X S+ 0 0 72 -4,-1.7 4,-2.7 -5,-0.3 5,-0.2 0.954 109.6 46.2 -68.6 -47.5 9.2 34.0 24.5 102 102 A N H X S+ 0 0 92 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.926 115.1 47.2 -59.3 -44.9 8.4 32.3 27.8 103 103 A I H X S+ 0 0 41 -4,-2.3 4,-1.2 2,-0.2 -1,-0.2 0.914 116.3 41.5 -64.7 -46.1 4.9 33.7 27.9 104 104 A T H X>S+ 0 0 2 -4,-2.2 5,-3.3 2,-0.2 4,-0.5 0.894 113.5 53.6 -70.9 -38.8 4.0 32.8 24.3 105 105 A K H ><5S+ 0 0 131 -4,-2.7 3,-1.6 -5,-0.3 -2,-0.2 0.953 108.2 49.0 -59.7 -50.6 5.7 29.4 24.4 106 106 A E H 3<5S+ 0 0 178 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.826 114.0 48.2 -58.7 -30.8 3.7 28.4 27.5 107 107 A A H 3<5S- 0 0 36 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.475 114.9-115.6 -89.3 -1.5 0.5 29.6 25.7 108 108 A G T <<5S+ 0 0 66 -3,-1.6 -3,-0.2 -4,-0.5 2,-0.2 0.822 73.6 128.9 72.7 29.2 1.3 27.7 22.5 109 109 A K < - 0 0 45 -5,-3.3 2,-0.4 -6,-0.1 -1,-0.2 -0.639 53.7-110.4-112.9 172.8 1.7 30.9 20.5 110 110 A K E -e 86 0A 107 -25,-2.6 -23,-1.8 -26,-0.2 2,-0.4 -0.834 13.1-146.6-115.1 146.6 4.3 32.4 18.2 111 111 A L E -e 87 0A 3 27,-0.4 29,-3.2 -2,-0.4 2,-0.5 -0.835 3.8-160.9-106.5 136.4 6.8 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194 C S B -a 645 0I 6 10,-1.9 12,-2.7 -2,-0.3 4,-0.1 -0.642 29.5-127.1 -84.8 147.3 -10.5 8.8 11.8 635 195 C L S S- 0 0 18 -189,-0.3 12,-0.5 -2,-0.3 11,-0.3 0.985 82.7 -25.0 -57.6 -61.6 -9.8 5.2 11.3 636 196 C E S S+ 0 0 86 1,-0.4 -2,-0.2 9,-0.1 2,-0.1 0.601 120.9 34.2-114.8 -94.4 -6.2 5.5 12.6 637 197 C K S S- 0 0 158 1,-0.1 2,-0.9 8,-0.1 -1,-0.4 -0.420 80.4-116.2 -69.8 146.8 -3.9 8.4 12.7 638 198 C A - 0 0 55 5,-0.1 2,-0.3 -3,-0.1 -1,-0.1 -0.797 38.0-177.8 -90.4 107.7 -5.6 11.7 13.4 639 199 C F + 0 0 132 -2,-0.9 4,-0.2 2,-0.1 -5,-0.0 -0.724 54.0 26.0-100.7 160.6 -5.1 13.9 10.3 640 200 C A S > S- 0 0 57 -2,-0.3 3,-1.0 2,-0.1 2,-0.2 0.412 106.6 -69.1 50.4 152.4 -6.5 17.5 10.2 641 201 C P T 3 S+ 0 0 82 0, 0.0 -28,-0.8 0, 0.0 3,-0.1 -0.429 113.8 22.3 -82.9 139.0 -6.9 19.1 13.6 642 202 C G T 3 S+ 0 0 2 1,-0.3 -22,-0.1 -2,-0.2 2,-0.1 0.187 86.0 134.3 100.7 -14.9 -9.5 18.1 16.1 643 203 C Q < - 0 0 42 -3,-1.0 -1,-0.3 -4,-0.2 -10,-0.1 -0.382 41.2-151.8 -76.0 146.6 -9.9 14.6 14.7 644 204 C I - 0 0 9 -12,-0.4 -10,-1.9 -3,-0.1 2,-0.1 -0.963 18.1-113.7-124.5 133.8 -10.0 11.6 17.1 645 205 C P B >> -a 634 0I 16 0, 0.0 4,-2.3 0, 0.0 3,-0.5 -0.371 23.9-123.0 -66.0 139.3 -8.9 8.0 16.3 646 206 C L H 3> S+ 0 0 0 -12,-2.7 4,-2.7 -11,-0.3 5,-0.2 0.880 110.8 51.4 -46.7 -51.5 -11.6 5.3 16.3 647 207 C E H 3> S+ 0 0 130 -12,-0.5 4,-1.7 1,-0.2 -1,-0.3 0.880 110.7 50.1 -59.1 -37.9 -9.9 3.1 18.9 648 208 C E H <> S+ 0 0 113 -3,-0.5 4,-2.3 2,-0.2 -2,-0.2 0.939 111.1 47.3 -66.3 -46.9 -9.6 6.2 21.2 649 209 C M H X S+ 0 0 0 -4,-2.3 4,-3.3 2,-0.2 5,-0.3 0.925 107.8 55.8 -60.5 -46.9 -13.3 7.2 20.9 650 210 C V H X S+ 0 0 19 -4,-2.7 4,-1.6 1,-0.2 -1,-0.2 0.918 112.1 44.1 -51.1 -45.9 -14.5 3.6 21.5 651 211 C E H X S+ 0 0 95 -4,-1.7 4,-1.6 -5,-0.2 -1,-0.2 0.870 113.7 50.6 -67.4 -38.4 -12.6 3.7 24.8 652 212 C L H X S+ 0 0 43 -4,-2.3 4,-3.0 2,-0.2 5,-0.4 0.902 107.8 51.8 -67.2 -42.6 -13.8 7.2 25.6 653 213 C R H X S+ 0 0 42 -4,-3.3 4,-2.5 1,-0.2 -1,-0.2 0.909 111.6 48.6 -59.2 -43.3 -17.5 6.3 25.0 654 214 C K H < S+ 0 0 86 -4,-1.6 4,-0.5 -5,-0.3 -1,-0.2 0.827 114.5 44.9 -66.6 -35.1 -17.1 3.3 27.3 655 215 C K H < S+ 0 0 136 -4,-1.6 -2,-0.2 2,-0.1 -1,-0.2 0.903 127.5 25.5 -77.3 -42.8 -15.4 5.4 30.0 656 216 C F H < S+ 0 0 124 -4,-3.0 -3,-0.2 -5,-0.1 -2,-0.2 0.847 131.9 28.4 -91.6 -39.5 -17.8 8.4 29.9 657 217 C Y < + 0 0 40 -4,-2.5 2,-2.1 -5,-0.4 -3,-0.2 0.047 68.0 127.0-116.1 27.3 -21.1 7.0 28.6 658 218 C R 0 0 170 -4,-0.5 -4,-0.1 1,-0.3 -1,-0.1 -0.521 360.0 360.0 -90.1 78.8 -21.4 3.4 29.5 659 219 C L 0 0 208 -2,-2.1 -1,-0.3 0, 0.0 -2,-0.1 -0.043 360.0 360.0 174.6 360.0 -24.8 4.0 31.2