==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-SEP-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE/OXIDOREDUCTASE INHIBITOR 03-FEB-11 3QLZ . COMPND 2 MOLECULE: STRAIN CBS138 CHROMOSOME J COMPLETE SEQUENCE; . SOURCE 2 ORGANISM_SCIENTIFIC: CANDIDA GLABRATA; . AUTHOR J.L.PAULSEN,S.D.BENDEL,A.C.ANDERSON . 450 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23895.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 282 62.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 58 12.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 78 17.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 1.8 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 . 33 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 71 15.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 4 2 2 2 1 1 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 4 2 0 2 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 . 4 2 4 0 4 0 0 0 2 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 . 2 0 0 0 0 0 0 0 0 0 2 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 3 A K 0 0 218 0, 0.0 104,-0.0 0, 0.0 103,-0.0 0.000 360.0 360.0 360.0 -31.7 12.4 -17.5 18.8 2 4 A V - 0 0 14 102,-0.1 113,-0.1 1,-0.0 2,-0.1 -0.783 360.0-112.3 -87.2 127.8 11.5 -16.6 15.2 3 5 A P - 0 0 46 0, 0.0 113,-2.5 0, 0.0 2,-0.6 -0.390 23.3-145.9 -60.4 136.7 14.5 -16.8 12.8 4 6 A V E -a 116 0A 7 127,-0.2 129,-3.4 111,-0.2 130,-1.4 -0.915 20.8-176.3-105.9 120.3 15.6 -13.5 11.3 5 7 A V E -ab 117 134A 0 111,-3.0 113,-2.5 -2,-0.6 2,-0.3 -0.965 18.9-147.8-125.3 118.8 16.9 -13.8 7.8 6 8 A G E -ab 118 135A 0 128,-2.2 130,-3.1 -2,-0.5 2,-0.4 -0.650 19.0-166.4 -76.1 135.6 18.4 -11.1 5.6 7 9 A I E + b 0 136A 4 111,-2.9 2,-0.3 -2,-0.3 130,-0.2 -0.999 19.1 147.9-131.7 132.5 17.6 -11.6 2.0 8 10 A V E - b 0 137A 6 128,-2.1 130,-2.4 -2,-0.4 2,-0.5 -0.990 40.8-132.5-159.7 147.4 19.4 -9.7 -0.8 9 11 A A E - b 0 138A 15 -2,-0.3 2,-0.4 128,-0.2 130,-0.2 -0.975 33.8-179.1-111.4 126.9 20.6 -10.0 -4.4 10 12 A A E - b 0 139A 0 128,-2.9 130,-3.2 -2,-0.5 2,-0.6 -0.984 25.3-132.6-134.6 135.4 24.2 -8.8 -4.9 11 13 A L E >> -Cb 16 140A 3 5,-2.5 5,-1.6 -2,-0.4 4,-1.3 -0.780 46.0 -94.6 -90.3 121.4 26.5 -8.5 -7.9 12 14 A L T 45S+ 0 0 4 128,-2.5 179,-0.1 -2,-0.6 -1,-0.0 -0.415 90.6 20.4 -72.5 155.8 30.0 -9.9 -7.3 13 15 A P T 45S+ 0 0 43 0, 0.0 -1,-0.2 0, 0.0 128,-0.0 -0.985 134.4 27.8 -92.8 -11.1 32.6 -9.2 -6.6 14 16 A E T 45S- 0 0 37 -3,-0.2 143,-0.3 435,-0.1 -2,-0.2 0.525 97.3-126.0 -81.6 -7.3 31.8 -6.0 -4.7 15 17 A M T <5 - 0 0 0 -4,-1.3 140,-2.8 1,-0.2 -3,-0.2 0.909 38.2-175.3 59.8 44.9 28.3 -7.1 -3.8 16 18 A G E < +CD 11 154A 0 -5,-1.6 -5,-2.5 138,-0.2 138,-0.3 -0.464 13.6 175.2 -67.7 142.4 26.6 -4.1 -5.3 17 19 A I E + 0 0 18 136,-3.3 2,-0.3 1,-0.3 137,-0.2 0.466 52.9 13.6-127.9 -8.7 22.8 -4.0 -4.7 18 20 A G E - D 0 153A 9 135,-1.1 134,-2.7 5,-0.2 135,-1.3 -0.995 43.9-156.5-166.3 160.0 21.5 -0.7 -6.1 19 21 A F B > S-L 22 0B 47 3,-2.8 3,-2.0 -2,-0.3 132,-0.1 -0.926 80.0 -14.9-151.5 123.4 21.9 2.4 -8.1 20 22 A Q T 3 S- 0 0 143 -2,-0.3 3,-0.1 1,-0.3 131,-0.0 0.857 127.8 -49.7 54.8 42.0 20.0 5.7 -7.8 21 23 A G T 3 S+ 0 0 58 1,-0.2 -1,-0.3 0, 0.0 2,-0.2 0.356 124.1 84.2 83.7 -3.4 17.3 4.2 -5.5 22 24 A N B < S-L 19 0B 99 -3,-2.0 -3,-2.8 1,-0.0 -1,-0.2 -0.736 87.2 -85.8-123.5 168.9 16.6 1.3 -7.9 23 25 A L - 0 0 122 -2,-0.2 -5,-0.2 -5,-0.2 -6,-0.0 -0.492 32.0-133.2 -68.0 145.3 17.9 -2.2 -8.6 24 26 A P S S+ 0 0 24 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.431 86.6 25.9 -80.0 -2.3 20.8 -2.3 -11.1 25 27 A W - 0 0 23 124,-0.1 2,-0.4 2,-0.0 -2,-0.1 -0.929 68.6-133.3-146.9 171.4 19.1 -5.2 -13.1 26 28 A R + 0 0 219 -2,-0.3 2,-0.6 4,-0.0 0, 0.0 -0.879 30.8 167.8-135.5 100.3 15.7 -6.6 -13.8 27 29 A L > - 0 0 9 -2,-0.4 4,-2.7 1,-0.1 3,-0.4 -0.933 20.8-165.8-122.6 107.0 15.6 -10.4 -13.4 28 30 A A H > S+ 0 0 63 -2,-0.6 4,-2.5 1,-0.2 -1,-0.1 0.833 91.1 52.4 -61.4 -34.7 12.2 -12.1 -13.4 29 31 A K H > S+ 0 0 77 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.820 110.6 46.9 -73.0 -33.3 13.6 -15.4 -12.1 30 32 A E H > S+ 0 0 20 -3,-0.4 4,-2.5 2,-0.2 -2,-0.2 0.909 112.5 50.4 -71.4 -44.8 15.4 -13.6 -9.2 31 33 A M H X S+ 0 0 111 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.906 109.6 52.0 -53.9 -46.4 12.1 -11.7 -8.5 32 34 A K H X S+ 0 0 92 -4,-2.5 4,-2.7 2,-0.2 -1,-0.2 0.891 109.4 49.1 -56.3 -49.8 10.2 -15.0 -8.5 33 35 A Y H X S+ 0 0 7 -4,-1.8 4,-3.0 2,-0.2 5,-0.3 0.937 111.9 48.4 -53.9 -52.2 12.7 -16.6 -6.0 34 36 A F H X S+ 0 0 46 -4,-2.5 4,-2.4 1,-0.2 5,-0.3 0.939 113.6 47.4 -56.9 -50.1 12.4 -13.6 -3.7 35 37 A R H X S+ 0 0 114 -4,-2.7 4,-1.9 1,-0.2 5,-0.3 0.940 115.6 43.9 -53.8 -53.8 8.5 -13.7 -3.9 36 38 A E H X S+ 0 0 38 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.911 115.0 47.3 -65.3 -42.5 8.3 -17.4 -3.3 37 39 A V H < S+ 0 0 0 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.939 117.7 41.2 -65.5 -45.0 10.8 -17.5 -0.4 38 40 A T H < S+ 0 0 0 -4,-2.4 10,-0.3 -5,-0.3 -1,-0.2 0.762 122.0 41.4 -76.7 -25.7 9.4 -14.6 1.5 39 41 A T H < S+ 0 0 33 -4,-1.9 9,-0.3 -5,-0.3 -2,-0.2 0.914 98.1 80.3 -83.6 -52.3 5.7 -15.6 0.9 40 42 A L < - 0 0 52 -4,-2.5 2,-0.3 -5,-0.3 3,-0.1 -0.232 55.0-174.8 -69.3 143.8 5.8 -19.3 1.4 41 43 A T - 0 0 27 1,-0.1 137,-0.1 5,-0.1 3,-0.0 -0.969 32.9-135.4-130.1 154.5 5.7 -21.0 4.8 42 44 A N S S+ 0 0 89 -2,-0.3 2,-0.7 1,-0.2 -1,-0.1 0.862 101.5 60.8 -71.9 -34.7 5.9 -24.6 6.0 43 45 A D S > S- 0 0 51 1,-0.1 3,-2.1 -3,-0.1 -1,-0.2 -0.851 76.4-154.8 -98.7 112.5 3.0 -23.9 8.3 44 46 A N T 3 S+ 0 0 152 -2,-0.7 -1,-0.1 1,-0.3 -2,-0.0 0.609 91.9 59.7 -58.4 -19.9 -0.1 -22.8 6.3 45 47 A S T 3 S+ 0 0 57 2,-0.0 -1,-0.3 68,-0.0 2,-0.2 0.479 99.0 70.5 -92.7 -4.6 -1.5 -20.9 9.3 46 48 A K < - 0 0 57 -3,-2.1 2,-0.3 67,-0.0 67,-0.2 -0.619 60.6-157.2-105.3 163.2 1.5 -18.6 9.5 47 49 A Q E -e 113 0A 82 65,-1.7 67,-1.9 -2,-0.2 2,-0.2 -0.910 19.7-120.1-122.5 166.5 2.9 -15.7 7.4 48 50 A N E - 0 0 1 21,-0.4 23,-2.4 -10,-0.3 2,-0.4 -0.665 21.7-126.4 -94.5 158.2 6.4 -14.2 7.2 49 51 A V E -ef 116 71A 0 66,-2.4 68,-3.1 -2,-0.2 2,-0.5 -0.833 13.5-158.8 -96.6 141.4 7.3 -10.6 7.9 50 52 A V E -ef 117 72A 0 21,-3.3 23,-2.6 -2,-0.4 2,-0.5 -0.984 10.4-167.6-116.9 117.6 9.2 -8.4 5.5 51 53 A I E +ef 118 73A 0 66,-2.7 68,-2.2 -2,-0.5 69,-0.4 -0.895 14.0 168.9-104.3 131.8 11.0 -5.5 7.1 52 54 A M E - f 0 74A 0 21,-2.8 23,-2.6 -2,-0.5 69,-0.2 -0.978 34.5-105.9-141.4 155.4 12.3 -2.7 4.9 53 55 A G E > - f 0 75A 7 67,-2.2 4,-2.3 -2,-0.3 3,-0.2 -0.378 39.7-108.8 -70.7 155.0 13.8 0.8 5.0 54 56 A R H > S+ 0 0 98 21,-1.7 4,-2.4 1,-0.2 5,-0.2 0.884 118.3 53.3 -51.3 -44.4 11.7 3.8 4.0 55 57 A K H > S+ 0 0 141 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.896 107.8 49.3 -68.8 -35.6 13.7 4.2 0.8 56 58 A T H >> S+ 0 0 34 -3,-0.2 4,-0.7 1,-0.2 3,-0.7 0.938 110.8 51.9 -65.1 -42.4 13.3 0.6 -0.3 57 59 A W H >< S+ 0 0 36 -4,-2.3 3,-1.3 1,-0.2 -2,-0.2 0.924 106.7 52.0 -55.7 -50.2 9.5 0.9 0.3 58 60 A E H 3< S+ 0 0 109 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.740 107.9 54.7 -63.6 -18.5 9.3 4.1 -1.8 59 61 A S H << S+ 0 0 47 -4,-0.9 -1,-0.3 -3,-0.7 -2,-0.2 0.545 82.6 97.5 -95.3 -14.8 11.1 2.2 -4.7 60 62 A I S << S- 0 0 25 -3,-1.3 5,-0.1 -4,-0.7 -38,-0.0 -0.658 93.2 -96.9 -69.5 130.8 8.7 -0.8 -4.9 61 63 A P > - 0 0 75 0, 0.0 3,-1.8 0, 0.0 4,-0.4 -0.256 32.1-125.8 -48.6 133.0 6.2 -0.2 -7.7 62 64 A Q G > S+ 0 0 155 1,-0.3 3,-0.7 2,-0.2 -2,-0.1 0.774 108.5 56.3 -61.8 -27.5 3.0 1.2 -6.2 63 65 A K G 3 S+ 0 0 197 1,-0.2 -1,-0.3 0, 0.0 -3,-0.0 0.742 108.5 50.3 -72.5 -17.9 0.8 -1.5 -7.7 64 66 A F G < S+ 0 0 111 -3,-1.8 -1,-0.2 3,-0.1 -2,-0.2 0.424 92.2 126.3-101.8 -4.1 3.0 -4.2 -6.0 65 67 A R < + 0 0 52 -3,-0.7 2,-0.2 -4,-0.4 -8,-0.0 -0.919 54.1 36.8-119.7 144.4 3.0 -2.8 -2.5 66 68 A P S S- 0 0 44 0, 0.0 24,-0.1 0, 0.0 3,-0.1 0.559 101.7-112.3 -69.3 156.9 2.4 -3.8 0.2 67 69 A L > - 0 0 16 -2,-0.2 3,-1.2 1,-0.1 -2,-0.1 -0.421 40.9-113.2 -61.3 117.4 3.9 -7.1 -0.8 68 70 A P T 3 S+ 0 0 80 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.155 88.9 12.2 -56.0 142.7 0.9 -9.5 -0.8 69 71 A K T 3 S+ 0 0 154 1,-0.2 -21,-0.4 -3,-0.1 2,-0.3 0.487 109.4 88.8 72.8 14.6 0.6 -12.4 1.7 70 72 A R S < S- 0 0 16 -3,-1.2 2,-0.6 -23,-0.1 -21,-0.2 -0.974 84.1-108.7-136.1 147.1 3.4 -11.1 4.0 71 73 A I E -f 49 0A 38 -23,-2.4 -21,-3.3 -2,-0.3 2,-0.5 -0.660 38.7-149.9 -73.4 117.3 3.3 -8.7 6.9 72 74 A N E -fg 50 90A 0 17,-1.8 19,-2.6 -2,-0.6 2,-0.4 -0.815 15.7-175.9 -94.4 130.3 5.1 -5.5 5.7 73 75 A V E -fg 51 91A 0 -23,-2.6 -21,-2.8 -2,-0.5 2,-0.5 -0.993 5.5-164.9-122.5 127.9 7.0 -3.3 8.1 74 76 A V E -fg 52 92A 1 17,-2.7 19,-2.3 -2,-0.4 2,-0.5 -0.929 8.9-151.5-111.4 129.7 8.5 -0.0 7.0 75 77 A V E +fg 53 93A 13 -23,-2.6 -21,-1.7 -2,-0.5 2,-0.3 -0.879 24.7 155.7-106.0 132.0 11.1 1.7 9.1 76 78 A S > - 0 0 20 17,-2.2 3,-1.8 -2,-0.5 -2,-0.0 -0.966 43.7-133.8-149.7 138.9 11.7 5.4 9.2 77 79 A R T 3 S+ 0 0 55 -2,-0.3 17,-0.1 1,-0.3 -1,-0.1 0.743 107.6 61.3 -70.0 -15.4 13.2 7.5 12.0 78 80 A S T 3 S+ 0 0 101 15,-0.1 -1,-0.3 -3,-0.0 16,-0.1 0.469 83.5 104.7 -87.8 -2.9 10.3 10.0 11.5 79 81 A F S < S- 0 0 46 -3,-1.8 -4,-0.0 14,-0.2 15,-0.0 -0.279 76.3-118.1 -77.5 170.3 7.6 7.4 12.4 80 82 A D S S- 0 0 121 -2,-0.0 2,-0.2 4,-0.0 -1,-0.1 0.852 72.4 -5.9 -85.2 -39.8 5.8 7.4 15.7 81 83 A G S S- 0 0 24 11,-0.2 13,-2.7 3,-0.0 14,-0.3 -0.761 75.8 -79.7-148.5-170.9 6.6 4.2 17.6 82 84 A E S S- 0 0 106 1,-0.3 13,-0.3 11,-0.2 2,-0.2 0.776 112.8 -4.8 -71.8 -32.1 8.2 0.7 17.7 83 85 A L S S+ 0 0 49 10,-0.1 2,-0.4 11,-0.1 -1,-0.3 -0.618 74.1 166.8-171.9 101.7 5.4 -1.1 15.8 84 86 A R E -H 92 0A 132 8,-2.5 8,-3.2 -3,-0.3 2,-0.5 -0.974 33.9-127.8-131.3 128.2 2.2 0.6 14.7 85 87 A K E +H 91 0A 108 -2,-0.4 6,-0.2 6,-0.2 3,-0.1 -0.676 32.6 166.0 -72.7 124.1 -0.5 -0.6 12.2 86 88 A V E - 0 0 52 4,-2.3 2,-0.3 -2,-0.5 5,-0.2 0.631 64.2 -11.7-112.4 -23.7 -1.1 2.2 9.7 87 89 A E E > S-H 90 0A 132 3,-1.6 3,-2.8 0, 0.0 -1,-0.4 -0.972 95.3 -54.8-163.6 169.6 -3.1 0.3 7.1 88 90 A D T 3 S+ 0 0 138 1,-0.3 3,-0.1 -2,-0.3 -3,-0.0 -0.297 127.1 0.4 -53.0 117.5 -4.1 -3.2 6.0 89 91 A G T 3 S+ 0 0 34 1,-0.1 -17,-1.8 -2,-0.1 2,-0.5 0.400 114.1 105.2 86.8 -3.5 -0.8 -5.2 5.7 90 92 A I E < +gH 72 87A 15 -3,-2.8 -4,-2.3 -19,-0.1 -3,-1.6 -0.955 41.5 177.7-122.6 118.8 1.3 -2.2 6.6 91 93 A Y E -gH 73 85A 74 -19,-2.6 -17,-2.7 -2,-0.5 2,-0.4 -0.914 15.0-150.3-106.0 146.4 3.1 -1.5 9.9 92 94 A H E +gH 74 84A 44 -8,-3.2 -8,-2.5 -2,-0.4 2,-0.3 -0.950 15.2 179.8-111.0 139.8 5.3 1.5 10.6 93 95 A S E -g 75 0A 0 -19,-2.3 -17,-2.2 -2,-0.4 -11,-0.2 -1.000 27.8-156.0-134.8 143.4 8.3 1.5 13.0 94 96 A N S S+ 0 0 15 -13,-2.7 2,-0.3 -2,-0.3 -12,-0.2 0.256 86.6 48.3 -93.7 13.9 10.8 4.1 14.1 95 97 A S > - 0 0 3 -14,-0.3 4,-2.7 -13,-0.3 5,-0.2 -0.814 57.8-159.5-159.6 113.8 13.3 1.5 15.0 96 98 A L H > S+ 0 0 11 -2,-0.3 4,-2.1 1,-0.2 -1,-0.1 0.936 101.4 45.1 -51.2 -51.2 14.7 -1.6 13.2 97 99 A R H > S+ 0 0 65 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.884 114.8 45.1 -65.9 -44.0 15.9 -3.1 16.5 98 100 A N H > S+ 0 0 37 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.856 109.9 55.5 -72.8 -33.7 12.7 -2.3 18.6 99 101 A C H X S+ 0 0 0 -4,-2.7 4,-3.0 2,-0.2 5,-0.2 0.956 106.4 51.3 -63.0 -40.0 10.5 -3.6 15.8 100 102 A L H X S+ 0 0 14 -4,-2.1 4,-1.6 -5,-0.2 -2,-0.2 0.913 110.5 48.8 -60.0 -43.6 12.3 -6.9 15.9 101 103 A T H X S+ 0 0 98 -4,-1.7 4,-0.6 2,-0.2 -1,-0.2 0.927 113.4 47.3 -60.3 -44.1 11.8 -7.2 19.6 102 104 A A H >< S+ 0 0 14 -4,-2.4 3,-1.1 1,-0.2 -2,-0.2 0.910 110.5 51.0 -65.7 -43.0 8.1 -6.4 19.3 103 105 A L H 3< S+ 0 0 14 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.802 105.4 59.1 -64.3 -28.3 7.7 -8.9 16.4 104 106 A Q H 3< S+ 0 0 54 -4,-1.6 2,-0.4 -5,-0.2 -1,-0.2 0.609 76.1 110.4 -79.8 -14.7 9.3 -11.6 18.6 105 107 A S S+ 0 0 66 -2,-0.4 4,-1.7 1,-0.2 5,-0.2 0.794 96.7 59.1 -59.3 -28.4 4.7 -14.5 21.5 107 109 A L H 4 S+ 0 0 155 2,-0.2 -1,-0.2 1,-0.2 -2,-0.1 0.941 113.7 34.0 -67.4 -46.5 2.0 -12.4 23.1 108 110 A A H 4 S+ 0 0 75 -6,-0.2 -2,-0.2 1,-0.2 -1,-0.2 0.876 126.9 39.5 -73.5 -37.9 1.8 -10.0 20.2 109 111 A N H >< S- 0 0 17 -4,-2.9 3,-2.9 -7,-0.1 -3,-0.2 0.510 87.1-142.9-102.0 -8.4 2.5 -12.5 17.5 110 112 A E T 3< - 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s 0 300D 0 21,-2.8 23,-2.5 -2,-0.5 69,-0.2 -0.982 34.8-105.1-143.0 155.5 24.0 9.0 26.1 279 55 B G E > - s 0 301D 7 67,-2.1 4,-2.3 -2,-0.3 3,-0.2 -0.348 39.5-108.9 -72.6 154.4 20.5 7.6 26.0 280 56 B R H > S+ 0 0 95 21,-1.6 4,-2.5 1,-0.2 5,-0.2 0.877 118.2 54.0 -50.4 -44.9 17.5 9.7 27.1 281 57 B K H > S+ 0 0 143 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.893 107.9 48.8 -66.5 -36.1 17.1 7.6 30.2 282 58 B T H >> S+ 0 0 34 -3,-0.2 4,-0.8 2,-0.2 3,-0.7 0.929 110.8 51.7 -66.7 -42.7 20.7 8.0 31.3 283 59 B W H >< S+ 0 0 35 -4,-2.3 3,-1.4 1,-0.2 -2,-0.2 0.935 106.4 53.2 -54.2 -51.1 20.4 11.8 30.8 284 60 B E H 3< S+ 0 0 112 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.740 107.8 53.8 -62.3 -18.0 17.2 12.0 32.9 285 61 B S H << S+ 0 0 46 -4,-0.8 -1,-0.3 -3,-0.7 -2,-0.2 0.568 82.4 98.1 -96.5 -14.3 19.1 10.3 35.7 286 62 B I S << S- 0 0 25 -3,-1.4 5,-0.1 -4,-0.8 -38,-0.0 -0.631 92.7 -97.7 -69.1 130.1 22.1 12.6 35.9 287 63 B P > - 0 0 75 0, 0.0 3,-2.0 0, 0.0 4,-0.4 -0.264 31.9-125.9 -49.3 133.7 21.5 15.1 38.8 288 64 B Q G > S+ 0 0 156 1,-0.3 3,-0.7 2,-0.2 -2,-0.1 0.775 108.8 56.4 -63.9 -27.2 20.2 18.3 37.2 289 65 B K G 3 S+ 0 0 199 1,-0.2 -1,-0.3 0, 0.0 -3,-0.0 0.703 108.6 50.0 -72.3 -16.6 22.9 20.5 38.7 290 66 B F G < S+ 0 0 104 -3,-2.0 -1,-0.2 3,-0.1 -2,-0.2 0.425 92.3 125.5-103.7 -3.9 25.5 18.3 37.1 291 67 B R < + 0 0 54 -3,-0.7 2,-0.2 -4,-0.4 -8,-0.0 -0.926 54.3 37.4-120.1 143.3 24.1 18.3 33.5 292 68 B P S S- 0 0 44 0, 0.0 24,-0.1 0, 0.0 3,-0.1 0.536 101.6-112.9 -70.1 156.0 25.1 18.9 30.9 293 69 B L > - 0 0 17 -2,-0.2 3,-1.1 1,-0.1 -2,-0.1 -0.404 40.8-112.8 -60.7 118.4 28.4 17.4 31.8 294 70 B P T 3 S+ 0 0 81 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.181 89.4 12.7 -57.0 143.9 30.9 20.4 31.9 295 71 B K T 3 S+ 0 0 157 1,-0.1 -21,-0.4 -3,-0.1 2,-0.3 0.527 109.3 90.3 69.8 15.4 33.7 20.7 29.3 296 72 B R S < S- 0 0 16 -3,-1.1 2,-0.6 -23,-0.1 -21,-0.2 -0.989 83.3-110.5-135.1 146.6 32.4 18.0 27.1 297 73 B I E -s 275 0D 39 -23,-2.2 -21,-3.0 -2,-0.3 2,-0.5 -0.642 38.8-149.3 -73.2 116.0 30.0 18.0 24.1 298 74 B N E -st 276 316D 0 17,-1.8 19,-2.7 -2,-0.6 2,-0.5 -0.795 15.8-175.1 -92.6 129.9 26.8 16.3 25.3 299 75 B V E -st 277 317D 0 -23,-2.8 -21,-2.8 -2,-0.5 2,-0.5 -0.990 4.6-166.1-122.8 125.6 24.6 14.3 22.9 300 76 B V E -st 278 318D 1 17,-2.7 19,-2.3 -2,-0.5 2,-0.5 -0.932 9.4-151.9-109.0 129.4 21.3 12.8 24.1 301 77 B V E +st 279 319D 13 -23,-2.5 -21,-1.6 -2,-0.5 2,-0.3 -0.885 24.2 156.8-106.3 131.1 19.7 10.3 21.9 302 78 B S > - 0 0 18 17,-2.2 3,-1.9 -2,-0.5 -2,-0.0 -0.978 43.1-134.7-149.2 137.8 15.9 9.7 21.8 303 79 B R T 3 S+ 0 0 53 -2,-0.3 17,-0.1 1,-0.3 -1,-0.1 0.739 107.3 61.4 -70.7 -12.1 13.8 8.2 19.0 304 80 B S T 3 S+ 0 0 102 15,-0.1 -1,-0.3 -3,-0.0 16,-0.1 0.449 83.7 104.0 -90.4 -2.0 11.4 11.0 19.6 305 81 B F S < S- 0 0 49 -3,-1.9 15,-0.0 14,-0.2 -4,-0.0 -0.283 76.7-117.3 -79.1 171.3 13.9 13.7 18.7 306 82 B D S S- 0 0 119 -2,-0.1 2,-0.2 4,-0.0 -1,-0.1 0.839 72.8 -5.8 -85.8 -37.9 13.9 15.5 15.3 307 83 B G S S- 0 0 25 11,-0.2 13,-2.8 3,-0.1 14,-0.3 -0.769 76.0 -79.4-149.2-169.5 17.2 14.7 13.5 308 84 B E S S- 0 0 105 1,-0.3 13,-0.3 11,-0.2 2,-0.2 0.782 113.3 -5.8 -73.8 -31.2 20.6 13.1 13.4 309 85 B L S S+ 0 0 49 10,-0.1 2,-0.4 11,-0.1 -1,-0.3 -0.624 73.9 167.2-171.9 99.8 22.3 15.9 15.3 310 86 B R E -U 318 0D 133 8,-2.7 8,-3.2 -3,-0.3 2,-0.5 -0.973 33.9-126.9-126.4 132.1 20.7 19.1 16.4 311 87 B K E +U 317 0D 106 -2,-0.4 6,-0.2 6,-0.2 3,-0.1 -0.681 32.9 166.3 -74.7 124.9 21.9 21.8 18.8 312 88 B V E - 0 0 53 4,-2.3 2,-0.3 -2,-0.5 5,-0.2 0.635 63.7 -12.2-113.3 -23.3 19.1 22.4 21.3 313 89 B E E > S-U 316 0D 132 3,-1.6 3,-2.7 0, 0.0 -1,-0.4 -0.970 95.6 -53.3-163.1 170.9 21.0 24.4 24.0 314 90 B D T 3 S- 0 0 132 -2,-0.3 3,-0.1 1,-0.3 -3,-0.0 -0.302 126.9 -0.8 -52.5 116.4 24.5 25.4 25.1 315 91 B G T 3 S+ 0 0 34 1,-0.1 -17,-1.8 -2,-0.1 2,-0.5 0.448 113.9 105.6 85.4 -1.0 26.5 22.2 25.3 316 92 B I E < +tU 298 313D 12 -3,-2.7 -4,-2.3 -19,-0.1 -3,-1.6 -0.963 41.6 178.3-123.1 119.9 23.5 20.0 24.4 317 93 B Y E -tU 299 311D 75 -19,-2.7 -17,-2.7 -2,-0.5 2,-0.4 -0.921 14.9-150.2-108.5 144.3 22.8 18.2 21.1 318 94 B H E +tU 300 310D 44 -8,-3.2 -8,-2.7 -2,-0.4 2,-0.3 -0.937 15.6 179.2-109.1 139.2 19.8 16.0 20.4 319 95 B S E -t 301 0D 0 -19,-2.3 -17,-2.2 -2,-0.4 -11,-0.2 -1.000 28.0-155.5-135.8 142.8 19.8 13.0 18.0 320 96 B N S S+ 0 0 13 -13,-2.8 2,-0.3 -2,-0.3 -12,-0.2 0.300 86.4 48.2 -92.3 11.6 17.2 10.5 17.0 321 97 B S > - 0 0 3 -14,-0.3 4,-2.5 -13,-0.3 5,-0.2 -0.859 58.0-159.2-157.2 115.7 19.8 7.9 16.0 322 98 B L H > S+ 0 0 10 -2,-0.3 4,-2.0 1,-0.2 -1,-0.1 0.933 101.4 45.5 -51.6 -49.0 22.9 6.6 17.8 323 99 B R H > S+ 0 0 69 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.884 114.9 44.6 -68.9 -43.8 24.4 5.4 14.5 324 100 B N H > S+ 0 0 38 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.845 109.9 56.1 -71.7 -34.3 23.6 8.6 12.5 325 101 B C H X S+ 0 0 0 -4,-2.5 4,-2.9 2,-0.2 5,-0.2 0.958 106.7 50.3 -62.3 -40.5 24.9 10.8 15.2 326 102 B L H X S+ 0 0 13 -4,-2.0 4,-1.8 -5,-0.2 -2,-0.2 0.922 110.4 49.5 -60.7 -46.1 28.2 9.0 15.2 327 103 B T H < S+ 0 0 97 -4,-1.8 4,-0.5 1,-0.2 -1,-0.2 0.927 113.2 47.4 -55.2 -45.3 28.5 9.5 11.4 328 104 B A H >< S+ 0 0 14 -4,-2.4 3,-1.1 1,-0.2 -2,-0.2 0.901 110.4 50.6 -66.8 -42.6 27.7 13.2 11.8 329 105 B L H 3< S+ 0 0 15 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.828 105.0 59.9 -63.6 -29.6 30.2 13.7 14.6 330 106 B Q T 3< S+ 0 0 53 -4,-1.8 2,-0.4 -5,-0.2 -1,-0.2 0.574 76.1 110.3 -79.1 -12.4 32.9 12.0 12.5 331 107 B S <> - 0 0 44 -3,-1.1 4,-2.9 -4,-0.5 5,-0.2 -0.534 58.3-154.4 -67.6 117.6 32.6 14.6 9.6 332 108 B S H > S+ 0 0 64 -2,-0.4 4,-1.6 1,-0.2 5,-0.2 0.799 96.7 59.2 -59.0 -28.1 35.8 16.6 9.6 333 109 B L H 4 S+ 0 0 152 2,-0.2 -1,-0.2 1,-0.2 -2,-0.0 0.951 113.9 33.5 -68.1 -45.8 33.7 19.3 7.9 334 110 B A H 4 S+ 0 0 75 -6,-0.2 -2,-0.2 1,-0.2 -1,-0.2 0.871 126.8 40.0 -75.0 -36.4 31.3 19.5 10.8 335 111 B N H >< S- 0 0 17 -4,-2.9 3,-3.0 -7,-0.1 -3,-0.2 0.498 87.2-142.7-102.7 -7.7 33.8 18.8 13.6 336 112 B E T 3< - 0 0 152 -4,-1.6 -4,-0.1 1,-0.3 -3,-0.1 0.735 61.5 -79.0 58.7 24.9 36.8 20.8 12.4 337 113 B N T 3 S+ 0 0 97 -6,-0.2 -1,-0.3 -5,-0.2 -5,-0.1 0.780 106.7 122.7 44.3 35.9 39.0 18.0 13.7 338 114 B K < + 0 0 83 -3,-3.0 -65,-1.7 -6,-0.1 2,-0.5 0.165 44.9 88.6-108.7 15.6 38.4 19.5 17.2 339 115 B I E - r 0 273D 12 -67,-0.2 -65,-0.2 1,-0.2 3,-0.1 -0.971 52.0-175.3-105.6 128.8 36.9 16.4 18.8 340 116 B E E - 0 0 32 -67,-1.8 2,-0.3 -2,-0.5 -66,-0.2 0.944 66.2 -2.3 -88.8 -53.5 39.6 14.1 20.3 341 117 B R E - 0 0 31 -68,-0.2 -66,-2.4 -113,-0.1 2,-0.6 -0.965 56.4-138.3-134.4 155.9 37.4 11.1 21.3 342 118 B I E -nr 230 275D 0 -113,-2.5 -111,-3.1 -2,-0.3 2,-0.5 -0.961 23.4-162.3-109.1 115.6 33.8 10.2 21.4 343 119 B Y E -nr 231 276D 1 -68,-3.1 -66,-2.6 -2,-0.6 2,-0.7 -0.870 11.4-151.0 -97.4 130.1 32.7 8.4 24.6 344 120 B I E -nr 232 277D 0 -113,-2.4 -111,-2.8 -2,-0.5 -66,-0.2 -0.905 17.2-177.2 -95.8 114.1 29.5 6.4 24.8 345 121 B I - 0 0 15 -68,-2.3 2,-0.1 -2,-0.7 -67,-0.1 0.146 40.3 -89.4-113.0 15.4 28.6 6.7 28.5 346 122 B G + 0 0 1 -69,-0.4 -67,-2.1 1,-0.2 -1,-0.3 -0.451 46.6 174.1 119.0-158.4 25.5 4.6 28.6 347 123 B G > - 0 0 12 -69,-0.2 4,-3.3 -2,-0.1 5,-0.2 0.108 45.2-126.9 82.5 118.7 22.2 3.4 28.5 348 124 B G H > S+ 0 0 11 2,-0.2 4,-2.1 1,-0.2 34,-0.2 0.920 120.6 47.7 -50.7 -45.8 22.1 -0.3 29.0 349 125 B E H > S+ 0 0 73 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.920 111.7 49.2 -66.6 -38.8 20.1 -0.1 25.8 350 126 B I H 4 S+ 0 0 12 1,-0.2 4,-0.5 2,-0.2 3,-0.2 0.920 109.4 51.4 -65.9 -44.0 22.8 2.2 24.3 351 127 B Y H >X S+ 0 0 16 -4,-3.3 3,-1.2 1,-0.2 4,-0.6 0.874 103.5 59.0 -60.2 -43.8 25.6 -0.2 25.3 352 128 B R H >< S+ 0 0 113 -4,-2.1 3,-0.7 1,-0.3 -1,-0.2 0.912 110.2 43.1 -49.0 -44.2 23.8 -3.1 23.6 353 129 B Q T 3< S+ 0 0 26 -4,-1.4 3,-0.3 -3,-0.2 -1,-0.3 0.503 106.1 64.9 -81.2 -7.0 23.9 -1.2 20.3 354 130 B S T X> S+ 0 0 0 -3,-1.2 4,-2.4 -4,-0.5 3,-1.5 0.510 70.6 89.7 -99.7 -7.3 27.5 -0.0 20.8 355 131 B M T << S+ 0 0 4 -3,-0.7 -1,-0.2 -4,-0.6 -2,-0.1 0.855 97.6 40.1 -59.7 -31.9 29.3 -3.4 20.7 356 132 B D T 34 S+ 0 0 53 -3,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 0.390 119.0 47.9 -95.3 3.7 29.6 -3.0 16.9 357 133 B L T <4 S+ 0 0 31 -3,-1.5 2,-0.2 -31,-0.0 -2,-0.2 0.685 89.8 89.1-113.4 -31.8 30.4 0.7 17.1 358 134 B A < - 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