==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-APR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 18-DEC-08 2W6O . COMPND 2 MOLECULE: BIOTIN CARBOXYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR I.MOCHALKIN,J.R.MILLER . 891 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 34144.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 616 69.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 42 4.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 156 17.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 0.6 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 . 71 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 64 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 250 28.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 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 0 4 1 2 4 5 0 6 0 0 4 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 2 2 2 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 . 6 3 2 4 5 2 2 2 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 . 5 0 2 2 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 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 98 0, 0.0 313,-0.1 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 147.5 -20.4 -3.7 -1.2 2 2 A L - 0 0 14 311,-0.2 25,-0.2 1,-0.1 3,-0.2 -0.309 360.0-148.8 -57.3 130.7 -18.0 -6.6 -1.0 3 3 A D S S- 0 0 87 1,-0.3 24,-2.6 23,-0.2 2,-0.3 0.934 73.2 -3.6 -67.5 -50.0 -19.6 -9.6 0.8 4 4 A K E -a 27 0A 30 22,-0.2 72,-3.4 70,-0.1 73,-1.2 -0.965 65.5-168.5-154.3 124.8 -16.5 -11.1 2.5 5 5 A I E -ab 28 77A 0 22,-2.7 24,-1.4 -2,-0.3 2,-0.4 -0.843 18.8-130.4-118.5 155.5 -12.8 -10.2 2.3 6 6 A V E -ab 29 78A 0 71,-2.7 73,-2.7 -2,-0.3 2,-1.2 -0.873 16.7-141.0 -97.7 132.7 -9.5 -11.9 3.4 7 7 A I E -ab 30 79A 0 22,-2.7 2,-2.3 -2,-0.4 24,-0.8 -0.770 13.3-165.8 -95.3 94.9 -7.1 -9.8 5.4 8 8 A A + 0 0 4 71,-2.2 77,-0.3 -2,-1.2 2,-0.3 -0.276 61.8 62.3 -76.4 52.0 -3.7 -10.8 3.9 9 9 A N - 0 0 6 -2,-2.3 2,-0.2 22,-0.2 22,-0.2 -0.859 62.9-143.2-153.5-167.7 -1.8 -9.2 6.8 10 10 A R > + 0 0 20 -2,-0.3 4,-1.3 22,-0.1 3,-0.4 -0.806 55.0 32.5-146.8-175.2 -1.1 -9.2 10.5 11 11 A G H > S- 0 0 5 -2,-0.2 4,-1.4 1,-0.2 30,-0.2 -0.188 113.4 -15.9 65.8-141.2 -0.4 -6.7 13.3 12 12 A E H > S+ 0 0 4 372,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.886 134.4 51.4 -75.8 -39.7 -1.8 -3.2 13.5 13 13 A I H > S+ 0 0 0 -3,-0.4 4,-2.7 2,-0.2 5,-0.2 0.820 105.0 56.9 -68.5 -32.0 -3.0 -2.8 9.9 14 14 A A H X S+ 0 0 0 -4,-1.3 4,-1.8 2,-0.2 -1,-0.2 0.944 111.6 42.7 -62.1 -48.5 -4.9 -6.1 9.9 15 15 A L H X S+ 0 0 0 -4,-1.4 4,-2.1 2,-0.2 5,-0.2 0.927 111.7 56.5 -58.9 -47.5 -6.9 -4.8 12.9 16 16 A R H X S+ 0 0 2 -4,-2.6 4,-1.6 1,-0.2 -2,-0.2 0.913 110.7 42.1 -49.9 -50.5 -7.2 -1.5 11.1 17 17 A I H X S+ 0 0 0 -4,-2.7 4,-2.8 1,-0.2 -1,-0.2 0.807 108.9 61.7 -69.9 -29.9 -8.7 -3.1 8.0 18 18 A L H X S+ 0 0 0 -4,-1.8 4,-3.1 -5,-0.2 -1,-0.2 0.917 104.3 46.1 -62.2 -44.0 -10.9 -5.3 10.2 19 19 A R H X S+ 0 0 9 -4,-2.1 4,-2.8 2,-0.2 5,-0.2 0.922 111.7 52.9 -64.4 -45.1 -12.7 -2.2 11.7 20 20 A A H X S+ 0 0 0 -4,-1.6 4,-1.2 -5,-0.2 -2,-0.2 0.947 112.1 44.5 -55.5 -51.8 -13.1 -0.8 8.3 21 21 A C H >X>S+ 0 0 0 -4,-2.8 5,-2.6 1,-0.2 3,-0.8 0.949 112.7 52.3 -56.1 -51.3 -14.8 -4.0 7.1 22 22 A K H ><5S+ 0 0 50 -4,-3.1 3,-1.2 1,-0.3 -2,-0.2 0.876 106.7 52.2 -52.8 -44.4 -16.9 -4.2 10.2 23 23 A E H 3<5S+ 0 0 27 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.770 111.6 48.1 -64.5 -27.9 -18.2 -0.6 9.8 24 24 A L H <<5S- 0 0 41 -4,-1.2 -1,-0.3 -3,-0.8 -2,-0.2 0.423 116.6-111.2 -93.2 -0.9 -19.2 -1.4 6.2 25 25 A G T <<5 + 0 0 64 -3,-1.2 2,-0.4 -4,-0.5 -3,-0.2 0.669 67.6 149.3 79.2 19.1 -21.0 -4.7 7.1 26 26 A I < - 0 0 5 -5,-2.6 -1,-0.3 -6,-0.2 -22,-0.2 -0.701 48.7-119.7 -93.6 133.7 -18.3 -6.7 5.3 27 27 A K E -a 4 0A 99 -24,-2.6 -22,-2.7 -2,-0.4 2,-0.3 -0.481 29.0-141.1 -74.7 138.4 -17.4 -10.2 6.5 28 28 A T E -a 5 0A 0 -24,-0.2 19,-1.0 -2,-0.2 2,-0.4 -0.793 15.7-168.6-105.5 142.1 -13.8 -10.7 7.7 29 29 A V E -ac 6 47A 0 -24,-1.4 -22,-2.7 -2,-0.3 2,-0.7 -0.986 11.7-155.7-124.9 118.8 -11.5 -13.7 7.2 30 30 A A E -ac 7 48A 0 17,-3.5 19,-2.6 -2,-0.4 2,-0.5 -0.846 6.4-168.9 -98.2 113.0 -8.3 -13.6 9.2 31 31 A V E + c 0 49A 0 -24,-0.8 2,-0.3 -2,-0.7 -22,-0.2 -0.887 22.3 165.8 -97.6 129.9 -5.4 -15.6 7.7 32 32 A H E - c 0 50A 5 17,-2.1 19,-2.2 -2,-0.5 20,-0.6 -0.950 37.0-108.9-144.3 157.0 -2.6 -16.0 10.2 33 33 A S E > - c 0 52A 0 -2,-0.3 3,-1.0 17,-0.2 21,-0.2 -0.243 44.8-101.2 -73.5 173.9 0.6 -17.9 11.0 34 34 A S T 3 S+ 0 0 55 18,-1.2 3,-0.4 1,-0.2 20,-0.1 0.650 124.7 54.5 -74.2 -16.0 0.7 -20.4 13.8 35 35 A A T 3 S+ 0 0 35 1,-0.2 3,-0.3 2,-0.1 -1,-0.2 0.510 102.8 58.0 -90.9 -6.2 2.4 -17.8 15.9 36 36 A D X + 0 0 0 -3,-1.0 3,-1.6 1,-0.2 -1,-0.2 0.141 63.5 113.3-114.2 19.1 -0.4 -15.2 15.4 37 37 A R T 3 S+ 0 0 145 -3,-0.4 -1,-0.2 1,-0.3 -2,-0.1 0.783 79.4 53.4 -58.3 -28.7 -3.4 -17.1 16.7 38 38 A D T 3 S+ 0 0 104 -3,-0.3 -1,-0.3 338,-0.1 2,-0.1 0.200 76.0 131.3 -99.7 16.2 -3.6 -14.6 19.5 39 39 A L <> - 0 0 0 -3,-1.6 4,-2.1 1,-0.1 5,-0.2 -0.455 64.5-123.5 -62.3 139.8 -3.7 -11.4 17.4 40 40 A K H > S+ 0 0 15 330,-0.5 4,-1.3 1,-0.2 5,-0.1 0.904 111.3 46.0 -48.6 -51.8 -6.5 -9.0 18.4 41 41 A H H > S+ 0 0 0 -30,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.807 109.2 55.9 -69.2 -31.9 -8.1 -8.9 14.9 42 42 A V H 4 S+ 0 0 9 2,-0.2 -1,-0.2 1,-0.2 -2,-0.2 0.877 109.0 47.2 -63.0 -41.3 -7.8 -12.7 14.6 43 43 A L H < S+ 0 0 110 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.766 118.0 43.9 -70.1 -24.5 -9.9 -13.0 17.8 44 44 A L H < S+ 0 0 41 -4,-1.3 -2,-0.2 -5,-0.2 -1,-0.2 0.728 90.0 106.2 -89.1 -27.1 -12.3 -10.5 16.4 45 45 A A S < S- 0 0 16 -4,-2.2 3,-0.1 -5,-0.1 -16,-0.1 -0.141 72.3-130.9 -58.5 149.0 -12.6 -11.8 12.8 46 46 A D S S+ 0 0 97 -18,-0.2 2,-0.3 1,-0.2 -17,-0.2 0.806 94.5 18.7 -64.4 -32.4 -15.8 -13.7 11.8 47 47 A E E -c 29 0A 71 -19,-1.0 -17,-3.5 2,-0.0 2,-0.4 -1.000 68.0-161.2-144.0 141.9 -13.6 -16.5 10.4 48 48 A T E -c 30 0A 76 -2,-0.3 2,-0.4 -19,-0.2 -17,-0.2 -0.951 5.7-177.2-124.7 143.5 -10.0 -17.6 10.9 49 49 A V E -c 31 0A 33 -19,-2.6 -17,-2.1 -2,-0.4 2,-0.6 -0.994 24.1-135.2-134.9 132.1 -7.7 -19.8 8.8 50 50 A C E -c 32 0A 53 -2,-0.4 -17,-0.2 -19,-0.2 -19,-0.1 -0.783 19.0-174.2 -82.8 121.6 -4.1 -20.9 9.6 51 51 A I E - 0 0 11 -19,-2.2 -18,-0.2 -2,-0.6 -1,-0.1 0.431 54.7 -62.7-101.8 -1.2 -2.1 -20.4 6.4 52 52 A G E S-c 33 0A 18 -20,-0.6 -18,-1.2 13,-0.1 -1,-0.3 -0.890 71.4 -26.8 153.2-171.9 1.1 -22.0 7.8 53 53 A P S S- 0 0 59 0, 0.0 5,-0.1 0, 0.0 -18,-0.1 0.069 71.3 -84.1 -62.4 174.5 4.0 -22.1 10.2 54 54 A A S S+ 0 0 15 -21,-0.2 -21,-0.1 -20,-0.1 5,-0.1 0.821 97.2 92.5 -54.3 -42.5 5.5 -19.1 12.0 55 55 A P S >> S- 0 0 55 0, 0.0 3,-0.9 0, 0.0 4,-0.9 -0.311 74.0-135.6 -65.5 137.9 8.0 -17.9 9.3 56 56 A S G >4>S+ 0 0 23 324,-0.3 5,-2.7 1,-0.2 3,-0.7 0.859 103.0 63.0 -56.3 -38.5 6.5 -15.2 7.0 57 57 A V G 345S+ 0 0 106 1,-0.3 -1,-0.2 3,-0.2 -3,-0.1 0.826 112.2 34.7 -59.6 -34.8 8.0 -17.0 4.0 58 58 A K G <45S+ 0 0 121 -3,-0.9 -1,-0.3 -5,-0.1 -2,-0.2 0.457 134.1 25.2 -97.0 -5.5 5.8 -20.1 4.7 59 59 A S T X<5S+ 0 0 0 -4,-0.9 3,-1.8 -3,-0.7 -3,-0.2 0.609 126.9 22.1-118.9 -84.2 2.8 -18.1 5.9 60 60 A Y T 3 5S+ 0 0 2 1,-0.3 25,-0.3 -5,-0.1 -3,-0.2 0.616 129.5 45.9 -72.4 -12.7 2.1 -14.4 5.0 61 61 A L T 3 - 0 0 50 -3,-1.8 4,-2.1 -6,-0.3 5,-0.1 -0.696 44.7-179.1 -92.1 88.3 2.6 -18.0 0.9 63 63 A I H > S+ 0 0 42 -2,-1.3 4,-2.4 1,-0.2 5,-0.3 0.914 77.2 50.1 -53.0 -57.3 0.4 -17.1 -2.1 64 64 A P H > S+ 0 0 90 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.897 112.4 48.9 -54.3 -42.7 -1.1 -20.5 -2.8 65 65 A A H > S+ 0 0 24 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.895 110.3 50.9 -62.3 -41.0 -2.2 -20.9 0.9 66 66 A I H X S+ 0 0 1 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.924 113.0 45.0 -63.2 -44.8 -3.7 -17.4 0.9 67 67 A I H X S+ 0 0 10 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.878 111.6 52.0 -68.7 -40.3 -5.8 -18.1 -2.2 68 68 A S H X S+ 0 0 64 -4,-2.5 4,-3.1 -5,-0.3 -1,-0.2 0.902 111.2 49.9 -56.7 -42.6 -6.9 -21.6 -0.9 69 69 A A H X S+ 0 0 4 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.887 111.0 46.6 -66.2 -41.8 -8.0 -19.7 2.2 70 70 A A H X>S+ 0 0 0 -4,-2.3 5,-2.2 2,-0.2 4,-0.6 0.872 115.2 50.3 -64.2 -35.5 -9.9 -17.2 0.2 71 71 A E H ><5S+ 0 0 116 -4,-2.5 3,-0.7 3,-0.2 -2,-0.2 0.936 110.7 45.3 -66.9 -51.4 -11.3 -20.1 -1.8 72 72 A I H 3<5S+ 0 0 139 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.866 114.3 48.7 -63.3 -38.0 -12.5 -22.3 1.2 73 73 A T H 3<5S- 0 0 13 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.572 109.5-118.4 -82.6 -10.4 -14.1 -19.4 3.1 74 74 A G T <<5 + 0 0 48 -3,-0.7 -3,-0.2 -4,-0.6 -4,-0.1 0.803 53.0 167.6 76.6 31.7 -16.1 -18.1 0.1 75 75 A A < - 0 0 8 -5,-2.2 -70,-0.2 -6,-0.2 -1,-0.2 -0.381 29.5-162.7 -77.7 155.7 -14.3 -14.7 0.1 76 76 A V + 0 0 58 -72,-3.4 25,-2.8 1,-0.2 2,-0.3 0.619 69.4 28.8-109.9 -20.8 -14.6 -12.2 -2.8 77 77 A A E -bd 5 101A 0 -73,-1.2 -71,-2.7 23,-0.3 2,-0.5 -0.976 60.2-144.3-146.2 154.7 -11.7 -9.9 -2.2 78 78 A I E -bd 6 102A 0 23,-2.4 25,-2.0 -2,-0.3 -71,-0.2 -0.961 6.0-160.5-127.9 116.5 -8.2 -9.9 -0.7 79 79 A H E -b 7 0A 1 -73,-2.7 -71,-2.2 -2,-0.5 25,-0.1 -0.851 5.9-175.1 -96.0 115.2 -6.7 -6.9 1.2 80 80 A P - 0 0 5 0, 0.0 6,-0.4 0, 0.0 5,-0.3 0.474 17.6-163.0 -88.1 -3.0 -2.9 -7.2 1.3 81 81 A G - 0 0 2 22,-0.2 212,-0.5 4,-0.1 2,-0.3 -0.337 46.2 -37.9 56.9-128.9 -2.3 -4.1 3.5 82 82 A Y S S+ 0 0 29 210,-0.1 3,-0.2 -2,-0.1 212,-0.1 -0.840 108.3 10.9-125.0 167.3 1.3 -3.0 3.4 83 83 A G S > S+ 0 0 33 -2,-0.3 3,-2.7 1,-0.2 4,-0.2 -0.214 102.7 57.5 58.0-154.9 4.6 -4.9 3.2 84 84 A F T 3 S- 0 0 55 1,-0.3 3,-0.3 2,-0.1 -1,-0.2 -0.148 128.5 -14.6 37.7-109.0 4.4 -8.7 2.5 85 85 A L T > S+ 0 0 5 -77,-0.3 3,-1.5 -5,-0.3 -1,-0.3 0.257 102.7 106.2-105.5 6.7 2.6 -9.2 -0.8 86 86 A S T < S+ 0 0 2 -3,-2.7 -1,-0.2 -6,-0.4 -2,-0.1 0.825 91.0 34.7 -61.9 -33.6 1.0 -5.7 -1.3 87 87 A E T 3 S+ 0 0 53 -3,-0.3 2,-0.7 -4,-0.2 -1,-0.3 -0.171 87.0 117.0-111.7 36.7 3.5 -4.8 -4.1 88 88 A N <> - 0 0 62 -3,-1.5 4,-2.6 1,-0.2 5,-0.2 -0.902 46.8-165.4-105.6 104.9 3.9 -8.3 -5.6 89 89 A A H > S+ 0 0 13 -2,-0.7 4,-2.8 1,-0.2 -1,-0.2 0.850 88.3 52.6 -59.1 -38.5 2.6 -8.1 -9.2 90 90 A N H > S+ 0 0 102 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.864 108.8 50.2 -69.7 -37.1 2.4 -11.8 -9.6 91 91 A F H > S+ 0 0 0 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.976 113.0 46.1 -56.4 -57.3 0.3 -12.1 -6.4 92 92 A A H X S+ 0 0 0 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.904 113.2 51.5 -52.1 -44.3 -2.1 -9.4 -7.7 93 93 A E H X S+ 0 0 80 -4,-2.8 4,-2.0 -5,-0.2 -1,-0.2 0.885 111.4 45.8 -59.4 -42.3 -2.2 -11.1 -11.0 94 94 A Q H X S+ 0 0 62 -4,-2.2 4,-2.9 2,-0.2 6,-0.2 0.893 108.2 55.7 -74.4 -40.9 -3.1 -14.5 -9.5 95 95 A V H <>S+ 0 0 0 -4,-2.7 5,-2.4 2,-0.2 4,-0.3 0.956 113.1 41.9 -49.5 -54.9 -5.7 -13.1 -7.2 96 96 A E H ><5S+ 0 0 58 -4,-2.0 3,-1.2 1,-0.2 -2,-0.2 0.890 113.6 52.5 -62.7 -42.0 -7.6 -11.6 -10.2 97 97 A R H 3<5S+ 0 0 164 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.865 106.1 53.6 -63.1 -40.1 -7.0 -14.7 -12.3 98 98 A S T 3<5S- 0 0 40 -4,-2.9 -1,-0.3 -5,-0.1 -2,-0.2 0.528 126.0-108.2 -68.8 -9.3 -8.5 -16.7 -9.5 99 99 A G T < 5S+ 0 0 62 -3,-1.2 -3,-0.2 -4,-0.3 -2,-0.1 0.501 75.6 129.6 96.0 6.0 -11.5 -14.3 -9.8 100 100 A F < - 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0 0 24 -6,-0.1 -204,-0.2 1,-0.1 -1,-0.2 -0.308 35.4-104.3 -71.2 158.2 -36.9 8.4 20.1 882 436 C N > - 0 0 29 -228,-0.1 3,-2.6 1,-0.1 4,-0.3 -0.384 30.3 -98.9 -89.2 163.7 -38.6 10.1 23.1 883 437 C I T 3 S+ 0 0 26 -230,-2.3 -201,-0.2 1,-0.3 4,-0.1 0.425 122.4 51.3 -65.5 2.8 -37.5 10.4 26.7 884 438 C H T >> S+ 0 0 41 -231,-0.2 4,-1.7 2,-0.1 3,-0.6 0.588 82.5 95.3-103.1 -17.5 -39.6 7.4 27.7 885 439 C Y H <> S+ 0 0 40 -3,-2.6 4,-2.2 1,-0.2 5,-0.2 0.816 79.6 51.3 -51.0 -49.3 -38.3 5.1 25.1 886 440 C L H 3> S+ 0 0 2 -4,-0.3 4,-2.0 -209,-0.3 -1,-0.2 0.888 110.7 47.3 -55.3 -47.4 -35.6 3.3 27.1 887 441 C E H <> S+ 0 0 59 -3,-0.6 4,-1.0 -208,-0.4 -1,-0.2 0.872 112.2 50.2 -66.3 -36.6 -37.8 2.4 30.0 888 442 C K H X S+ 0 0 116 -4,-1.7 4,-2.1 2,-0.2 -1,-0.2 0.861 110.4 50.6 -66.3 -37.2 -40.5 1.1 27.8 889 443 C K H < S+ 0 0 53 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.847 111.0 48.6 -68.3 -34.5 -37.9 -1.1 25.9 890 444 C L H < S+ 0 0 53 -4,-2.0 -1,-0.2 2,-0.2 -2,-0.2 0.632 109.8 52.9 -81.9 -15.6 -36.7 -2.5 29.2 891 445 C G H < 0 0 68 -4,-1.0 -2,-0.2 -5,-0.2 -3,-0.1 0.947 360.0 360.0 -74.6 -59.2 -40.3 -3.2 30.3 892 446 C L < 0 0 196 -4,-2.1 -2,-0.2 -5,-0.1 -3,-0.2 0.662 360.0 360.0 -65.9 360.0 -41.1 -5.2 27.2