==== 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 2W6Q . 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) . 33529.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 615 69.0 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 . 159 17.8 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 . 6 0.7 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 . 63 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 66 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 253 28.4 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 1 5 4 2 5 0 1 3 0 0 0 3 1 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 . 5 2 2 5 5 2 2 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 4 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 96 0, 0.0 2,-0.2 0, 0.0 313,-0.1 0.000 360.0 360.0 360.0 145.4 43.6 -27.6 25.9 2 2 A L - 0 0 11 311,-0.2 25,-0.2 1,-0.1 3,-0.1 -0.453 360.0-150.9 -66.8 125.3 42.6 -26.3 22.4 3 3 A D S S- 0 0 83 1,-0.2 24,-2.6 -2,-0.2 2,-0.3 0.889 72.7 -1.4 -63.4 -44.7 45.4 -24.2 20.9 4 4 A K E -a 27 0A 29 22,-0.2 72,-3.4 70,-0.1 73,-1.0 -0.984 64.1-169.9-157.4 133.1 43.3 -21.9 18.7 5 5 A I E -ab 28 77A 0 22,-2.4 24,-2.2 -2,-0.3 2,-0.5 -0.964 22.1-128.6-132.4 147.4 39.6 -21.5 18.0 6 6 A V E -ab 29 78A 0 71,-2.7 73,-2.6 -2,-0.4 2,-0.9 -0.807 19.4-144.1 -85.3 128.2 37.4 -19.6 15.5 7 7 A I E -ab 30 79A 0 22,-2.9 2,-1.7 -2,-0.5 24,-0.8 -0.853 14.1-164.0 -92.2 99.3 34.6 -17.7 17.3 8 8 A A + 0 0 4 71,-2.3 77,-0.3 -2,-0.9 2,-0.3 -0.446 59.9 58.0 -88.2 62.8 31.8 -18.2 14.7 9 9 A N - 0 0 4 -2,-1.7 2,-0.2 22,-0.3 22,-0.1 -0.907 66.1-136.1-167.5-171.4 29.6 -15.4 16.1 10 10 A R >> + 0 0 21 -2,-0.3 4,-1.4 22,-0.1 3,-0.5 -0.787 54.6 28.2-146.5 179.2 29.4 -11.7 16.9 11 11 A G H 3> S- 0 0 3 -2,-0.2 4,-1.6 1,-0.2 30,-0.2 -0.119 114.2 -13.2 64.5-147.7 28.3 -9.2 19.5 12 12 A E H 3> S+ 0 0 4 372,-0.3 4,-2.6 1,-0.2 -1,-0.2 0.863 135.1 51.2 -64.0 -40.0 28.0 -10.0 23.2 13 13 A I H <> S+ 0 0 0 -3,-0.5 4,-2.5 2,-0.2 -1,-0.2 0.874 106.9 53.8 -68.7 -35.0 28.4 -13.8 22.9 14 14 A A H X S+ 0 0 0 -4,-1.4 4,-2.3 2,-0.2 -1,-0.2 0.908 112.2 45.3 -63.0 -41.2 31.5 -13.5 20.8 15 15 A L H X S+ 0 0 0 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.896 110.3 54.4 -67.0 -42.4 33.1 -11.3 23.5 16 16 A R H X S+ 0 0 2 -4,-2.6 4,-1.5 1,-0.2 -2,-0.2 0.916 112.1 44.0 -53.9 -47.7 31.8 -13.7 26.2 17 17 A I H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.888 109.7 56.4 -67.0 -41.6 33.6 -16.6 24.4 18 18 A L H X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.898 105.6 51.1 -58.0 -43.4 36.7 -14.5 23.8 19 19 A R H X S+ 0 0 11 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.896 109.6 50.1 -62.4 -41.6 37.1 -13.8 27.5 20 20 A A H X S+ 0 0 0 -4,-1.5 4,-1.5 2,-0.2 -2,-0.2 0.919 111.2 49.7 -60.7 -45.3 36.8 -17.6 28.3 21 21 A C H <>S+ 0 0 0 -4,-2.4 5,-2.5 1,-0.2 4,-0.5 0.928 109.6 50.4 -59.0 -48.9 39.5 -18.3 25.7 22 22 A K H ><5S+ 0 0 47 -4,-2.7 3,-1.1 1,-0.2 -1,-0.2 0.895 108.1 53.3 -57.1 -43.2 41.9 -15.7 27.1 23 23 A E H 3<5S+ 0 0 26 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.837 113.4 43.6 -58.5 -36.7 41.4 -17.2 30.6 24 24 A L T 3<5S- 0 0 36 -4,-1.5 -1,-0.2 -3,-0.3 -2,-0.2 0.378 116.4-111.5 -93.2 2.3 42.3 -20.6 29.3 25 25 A G T < 5 + 0 0 62 -3,-1.1 2,-0.4 -4,-0.5 -3,-0.2 0.584 65.6 151.7 78.6 12.2 45.3 -19.5 27.2 26 26 A I < - 0 0 4 -5,-2.5 -1,-0.3 -6,-0.2 -22,-0.2 -0.641 46.1-124.2 -83.0 126.6 43.4 -20.3 24.0 27 27 A K E -a 4 0A 95 -24,-2.6 -22,-2.4 -2,-0.4 2,-0.4 -0.426 29.0-138.3 -67.1 143.1 44.3 -18.3 20.8 28 28 A T E -a 5 0A 0 -24,-0.2 19,-1.8 -2,-0.1 2,-0.5 -0.863 18.1-167.2-116.8 137.5 41.3 -16.6 19.2 29 29 A V E -ac 6 47A 0 -24,-2.2 -22,-2.9 -2,-0.4 2,-0.9 -0.983 12.2-158.4-117.7 114.5 40.2 -16.1 15.6 30 30 A A E -ac 7 48A 0 17,-2.9 19,-2.2 -2,-0.5 2,-0.4 -0.846 5.6-167.3 -94.8 103.8 37.5 -13.5 15.2 31 31 A V E + c 0 49A 0 -2,-0.9 -22,-0.3 -24,-0.8 2,-0.3 -0.774 22.0 168.1 -83.3 134.8 35.7 -14.1 11.9 32 32 A H E - c 0 50A 5 17,-2.0 19,-2.4 -2,-0.4 20,-0.6 -0.973 36.2-109.0-147.0 156.2 33.5 -11.1 11.1 33 33 A S E > - c 0 52A 0 -2,-0.3 3,-1.5 17,-0.2 21,-0.2 -0.382 43.6-103.2 -74.4 166.2 31.4 -9.4 8.4 34 34 A S T 3 S+ 0 0 49 18,-1.8 3,-0.5 1,-0.3 -1,-0.1 0.674 124.1 55.9 -66.8 -18.3 32.6 -6.2 6.8 35 35 A A T 3 S+ 0 0 39 1,-0.2 3,-0.3 2,-0.1 -1,-0.3 0.566 102.9 56.8 -86.1 -9.5 30.1 -4.3 9.0 36 36 A D X + 0 0 1 -3,-1.5 3,-1.3 1,-0.2 -1,-0.2 0.032 63.8 115.2-113.5 24.2 31.6 -5.8 12.2 37 37 A R T 3 S+ 0 0 129 -3,-0.5 -1,-0.2 1,-0.2 -2,-0.1 0.805 81.0 49.4 -61.8 -29.4 35.2 -4.7 11.9 38 38 A D T 3 S+ 0 0 102 -3,-0.3 -1,-0.2 338,-0.1 -2,-0.1 0.224 77.4 132.6-101.0 12.3 34.8 -2.5 15.0 39 39 A L <> - 0 0 0 -3,-1.3 4,-2.1 1,-0.1 3,-0.2 -0.402 64.9-122.5 -57.3 137.9 33.2 -5.1 17.2 40 40 A K H > S+ 0 0 15 330,-0.4 4,-0.9 1,-0.2 5,-0.1 0.897 111.1 47.2 -51.2 -48.4 34.9 -5.1 20.7 41 41 A H H > S+ 0 0 0 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.842 108.5 55.6 -68.4 -33.8 35.8 -8.8 20.5 42 42 A V H >4 S+ 0 0 9 1,-0.2 3,-0.7 -3,-0.2 -1,-0.2 0.927 108.2 48.9 -58.1 -46.5 37.2 -8.4 16.9 43 43 A L H 3< S+ 0 0 108 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.687 115.8 44.5 -66.5 -20.4 39.5 -5.6 18.3 44 44 A L H 3< S+ 0 0 39 -4,-0.9 -1,-0.2 -3,-0.2 -2,-0.2 0.531 90.6 109.1-100.6 -11.0 40.6 -7.9 21.1 45 45 A A S << S- 0 0 17 -4,-1.0 3,-0.1 -3,-0.7 -16,-0.1 -0.287 70.7-130.8 -73.4 154.0 41.2 -11.1 19.1 46 46 A D S S+ 0 0 94 -18,-0.3 2,-0.3 1,-0.2 -17,-0.2 0.871 94.5 10.8 -67.0 -39.6 44.6 -12.6 18.4 47 47 A E E -c 29 0A 73 -19,-1.8 -17,-2.9 2,-0.0 2,-0.4 -0.984 69.8-156.8-139.8 148.3 43.7 -12.9 14.7 48 48 A T E -c 30 0A 73 -2,-0.3 2,-0.4 -19,-0.2 -17,-0.2 -0.963 5.6-172.8-127.0 145.2 40.8 -11.6 12.6 49 49 A V E -c 31 0A 35 -19,-2.2 -17,-2.0 -2,-0.4 2,-0.7 -0.973 19.7-141.6-135.7 121.1 39.4 -12.8 9.3 50 50 A C E -c 32 0A 52 -2,-0.4 -17,-0.2 -19,-0.2 -19,-0.1 -0.741 20.0-175.8 -79.6 118.2 36.7 -10.9 7.3 51 51 A I E - 0 0 13 -19,-2.4 -18,-0.2 -2,-0.7 -1,-0.1 0.433 51.7 -50.2-101.8 -0.8 34.5 -13.6 6.0 52 52 A G E S-c 33 0A 18 -20,-0.6 -18,-1.8 13,-0.1 -1,-0.2 -0.940 72.5 -41.9 157.2-176.6 32.1 -11.6 3.9 53 53 A P - 0 0 62 0, 0.0 5,-0.1 0, 0.0 -2,-0.1 -0.099 68.3 -84.2 -72.2 175.9 29.7 -8.6 3.5 54 54 A A S S+ 0 0 10 -21,-0.2 6,-0.2 5,-0.1 5,-0.1 0.856 97.8 92.6 -49.2 -52.2 27.2 -7.5 6.1 55 55 A P S > S- 0 0 65 0, 0.0 3,-1.7 0, 0.0 4,-0.5 -0.254 78.4-131.0 -57.7 131.6 24.2 -9.8 5.3 56 56 A S G > >S+ 0 0 24 324,-0.4 5,-2.9 1,-0.3 3,-1.1 0.768 101.0 68.0 -52.9 -34.8 24.4 -12.9 7.5 57 57 A V G 3 5S+ 0 0 100 1,-0.3 -1,-0.3 3,-0.2 -3,-0.1 0.836 109.2 37.3 -56.5 -33.3 23.9 -15.3 4.6 58 58 A K G < 5S+ 0 0 112 -3,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.407 133.5 20.3-102.4 2.5 27.3 -14.3 3.2 59 59 A S T X 5S+ 0 0 0 -3,-1.1 3,-1.4 -4,-0.5 7,-0.2 0.433 128.4 22.7-127.0 -87.1 29.1 -14.0 6.6 60 60 A Y T 3 5S+ 0 0 1 1,-0.3 25,-0.3 -6,-0.2 -3,-0.2 0.617 132.9 39.3 -69.8 -14.5 27.9 -15.6 9.8 61 61 A L T 3 - 0 0 24 -3,-1.4 4,-2.0 -6,-0.5 5,-0.2 -0.597 45.5-175.4 -82.1 91.7 28.5 -18.7 5.2 63 63 A I H > S+ 0 0 23 -2,-1.4 4,-2.4 1,-0.2 5,-0.2 0.913 78.5 49.1 -58.7 -52.3 29.7 -22.3 6.0 64 64 A P H > S+ 0 0 86 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.895 112.6 48.5 -51.4 -46.7 32.6 -22.4 3.4 65 65 A A H > S+ 0 0 22 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.858 111.8 48.8 -65.8 -37.6 34.0 -19.0 4.5 66 66 A I H X S+ 0 0 0 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.926 114.7 44.3 -67.8 -45.2 33.9 -20.0 8.2 67 67 A I H X S+ 0 0 11 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.877 112.1 53.5 -67.2 -38.3 35.7 -23.3 7.6 68 68 A S H X S+ 0 0 69 -4,-2.6 4,-3.0 -5,-0.2 -2,-0.2 0.901 107.1 52.0 -59.7 -44.2 38.2 -21.6 5.2 69 69 A A H X S+ 0 0 3 -4,-2.0 4,-1.7 2,-0.2 6,-0.3 0.883 109.0 49.7 -60.1 -41.9 39.0 -19.1 8.0 70 70 A A H X>S+ 0 0 0 -4,-1.8 5,-2.0 2,-0.2 4,-0.8 0.925 113.6 47.8 -60.7 -45.0 39.6 -22.0 10.4 71 71 A E H ><5S+ 0 0 118 -4,-2.3 3,-0.7 1,-0.2 -2,-0.2 0.935 111.5 47.5 -60.9 -50.0 41.9 -23.7 7.8 72 72 A I H 3<5S+ 0 0 142 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.832 115.2 45.3 -66.3 -32.0 43.9 -20.6 6.9 73 73 A T H 3<5S- 0 0 16 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.560 108.2-118.6 -87.1 -11.4 44.6 -19.6 10.6 74 74 A G T <<5 + 0 0 45 -4,-0.8 -3,-0.2 -3,-0.7 -4,-0.1 0.792 54.7 165.7 71.9 28.4 45.5 -23.1 11.8 75 75 A A < - 0 0 5 -5,-2.0 -70,-0.2 -6,-0.3 -1,-0.2 -0.365 29.1-158.4 -70.3 156.3 42.6 -23.1 14.2 76 76 A V + 0 0 51 -72,-3.4 25,-2.8 1,-0.2 2,-0.3 0.553 67.0 25.7-110.8 -15.1 41.5 -26.5 15.7 77 77 A A E -bd 5 101A 0 -73,-1.0 -71,-2.7 23,-0.3 2,-0.4 -0.955 59.9-139.3-150.4 161.0 37.9 -25.8 16.8 78 78 A I E -bd 6 102A 0 23,-2.8 25,-2.5 -2,-0.3 -71,-0.2 -0.992 7.4-159.1-130.1 121.5 34.9 -23.7 16.1 79 79 A H E -b 7 0A 1 -73,-2.6 -71,-2.3 -2,-0.4 25,-0.1 -0.925 4.5-169.1 -98.5 115.9 32.6 -22.2 18.7 80 80 A P - 0 0 6 0, 0.0 6,-0.4 0, 0.0 5,-0.3 0.535 16.2-160.8 -80.9 -9.1 29.2 -21.4 17.1 81 81 A G - 0 0 1 22,-0.2 212,-0.5 4,-0.1 2,-0.3 -0.413 46.0 -45.8 63.2-139.8 27.8 -19.4 20.1 82 82 A Y S S+ 0 0 32 210,-0.1 3,-0.2 -2,-0.1 212,-0.1 -0.794 108.9 15.7-117.4 169.2 24.0 -19.1 19.9 83 83 A G S > S+ 0 0 38 -2,-0.3 3,-2.4 1,-0.2 4,-0.2 -0.278 101.2 57.5 63.4-157.1 21.8 -18.3 16.9 84 84 A F T 3 S- 0 0 65 1,-0.3 3,-0.3 2,-0.1 -1,-0.2 -0.092 127.7 -15.8 38.9-111.8 23.4 -18.5 13.4 85 85 A L T > S+ 0 0 9 -77,-0.3 3,-1.6 -25,-0.3 -1,-0.3 0.274 103.5 107.3-104.1 10.3 24.8 -22.0 12.8 86 86 A S T < S+ 0 0 4 -3,-2.4 -1,-0.2 -6,-0.4 -2,-0.1 0.781 89.7 33.8 -65.3 -30.6 24.8 -23.3 16.4 87 87 A E T 3 S+ 0 0 60 -3,-0.3 2,-0.9 -4,-0.2 -1,-0.3 0.095 90.0 117.3-107.8 17.9 21.8 -25.7 15.9 88 88 A N <> - 0 0 59 -3,-1.6 4,-2.1 1,-0.2 5,-0.2 -0.798 44.8-169.9 -94.2 103.5 22.7 -26.5 12.3 89 89 A A H > S+ 0 0 14 -2,-0.9 4,-2.6 1,-0.2 -1,-0.2 0.857 85.7 53.8 -63.3 -39.9 23.5 -30.2 12.2 90 90 A N H > S+ 0 0 89 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.884 108.3 50.8 -63.1 -38.9 24.9 -30.1 8.7 91 91 A F H > S+ 0 0 0 2,-0.2 4,-2.8 1,-0.2 -2,-0.2 0.951 111.5 46.6 -60.6 -51.3 27.3 -27.4 9.7 92 92 A A H X S+ 0 0 1 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.902 113.3 50.5 -57.7 -43.2 28.5 -29.4 12.7 93 93 A E H X S+ 0 0 60 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.939 111.8 46.7 -57.6 -50.8 28.8 -32.4 10.4 94 94 A Q H X S+ 0 0 62 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.874 110.3 53.8 -60.6 -41.2 30.9 -30.4 7.9 95 95 A V H <>S+ 0 0 0 -4,-2.8 5,-2.3 2,-0.2 4,-0.4 0.944 112.8 42.2 -58.4 -51.1 33.1 -29.0 10.6 96 96 A E H ><5S+ 0 0 63 -4,-2.3 3,-1.1 1,-0.2 -2,-0.2 0.901 113.4 52.9 -64.8 -41.8 33.9 -32.5 12.0 97 97 A R H 3<5S+ 0 0 165 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.864 105.3 55.4 -57.7 -39.0 34.4 -33.8 8.4 98 98 A S T 3<5S- 0 0 53 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.600 124.9-107.2 -73.4 -9.9 36.8 -31.0 7.7 99 99 A G T < 5S+ 0 0 65 -3,-1.1 2,-0.2 -4,-0.4 -3,-0.2 0.535 78.9 122.0 98.4 10.9 38.8 -32.2 10.7 100 100 A F < - 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0 0 140 1,-0.1 -1,-0.2 -2,-0.1 -41,-0.1 -0.246 45.5-122.4 -69.7 154.8 43.8 11.2 46.3 830 383 B S S S+ 0 0 38 -43,-0.1 -42,-3.0 2,-0.0 2,-0.5 0.725 80.3 104.3 -68.9 -24.4 45.2 9.4 43.2 831 384 B M E +D 787 0I 24 -44,-0.3 -372,-0.3 1,-0.2 -44,-0.3 -0.470 35.1 163.1 -70.9 115.0 43.0 6.4 43.5 832 385 B I E - 0 0 3 -46,-2.7 -14,-0.6 -2,-0.5 -15,-0.5 0.567 60.7 -4.2-106.3 -13.3 40.2 6.6 40.9 833 386 B G E -DE 786 816I 0 -47,-1.7 -47,-3.3 -17,-0.2 2,-0.4 -0.986 53.8-132.1-169.6 167.2 39.0 3.0 40.7 834 387 B K E -DE 785 815I 0 -19,-1.9 -19,-2.9 -2,-0.3 2,-0.6 -0.995 11.6-155.9-136.1 128.7 39.3 -0.5 41.9 835 388 B L E -DE 784 814I 0 -51,-2.6 -51,-2.7 -2,-0.4 2,-0.5 -0.929 15.0-174.2-105.2 121.6 39.3 -3.6 39.8 836 389 B I E -DE 783 813I 0 -23,-3.0 -23,-3.4 -2,-0.6 2,-0.4 -0.970 3.4-173.2-122.1 120.1 38.2 -6.8 41.6 837 390 B C E -DE 782 812I 0 -55,-2.5 -55,-2.4 -2,-0.5 2,-0.3 -0.955 4.0-166.3-116.3 133.3 38.4 -10.3 40.0 838 391 B Y E +D 781 0I 44 -27,-2.9 2,-0.3 -2,-0.4 -57,-0.2 -0.878 11.6 166.0-113.8 146.1 37.0 -13.4 41.6 839 392 B G E -D 780 0I 0 -59,-2.6 -59,-2.5 -2,-0.3 6,-0.1 -0.966 52.1-102.1-147.9 166.9 37.5 -17.1 40.7 840 393 B E S S+ 0 0 74 -2,-0.3 -61,-0.4 -61,-0.2 2,-0.3 0.762 110.5 14.4 -59.3 -25.5 37.0 -20.5 42.2 841 394 B N S > S- 0 0 76 -61,-0.1 4,-2.0 -62,-0.1 -61,-0.3 -0.931 88.2 -99.2-142.8 172.1 40.8 -20.4 42.9 842 395 B R H > S+ 0 0 31 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.885 118.4 54.4 -57.7 -44.6 43.7 -17.9 43.0 843 396 B D H > S+ 0 0 117 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.869 109.4 47.8 -58.5 -41.6 44.9 -18.9 39.5 844 397 B V H > S+ 0 0 14 -3,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.886 109.9 52.2 -67.3 -42.1 41.5 -18.2 38.0 845 398 B A H X S+ 0 0 0 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.913 112.4 45.9 -60.4 -44.0 41.2 -14.8 39.8 846 399 B I H X S+ 0 0 6 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.910 111.2 52.1 -64.5 -45.9 44.7 -13.7 38.5 847 400 B A H X S+ 0 0 22 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.916 111.5 47.0 -55.9 -46.2 43.8 -14.9 34.9 848 401 B R H X S+ 0 0 4 -4,-2.5 4,-2.8 1,-0.2 -1,-0.2 0.891 110.3 53.3 -63.0 -38.9 40.6 -12.9 35.0 849 402 B M H X S+ 0 0 0 -4,-2.0 4,-2.9 2,-0.2 5,-0.2 0.907 105.9 52.8 -63.4 -43.9 42.5 -9.9 36.4 850 403 B K H X S+ 0 0 53 -4,-2.7 4,-1.3 1,-0.2 -1,-0.2 0.937 114.3 42.4 -54.5 -50.5 45.1 -10.1 33.5 851 404 B N H X S+ 0 0 17 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.898 114.1 51.2 -61.2 -46.0 42.2 -10.0 31.0 852 405 B A H X S+ 0 0 1 -4,-2.8 4,-1.7 1,-0.2 -2,-0.2 0.913 108.2 51.3 -61.2 -45.4 40.2 -7.3 32.9 853 406 B L H < S+ 0 0 2 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.823 109.7 51.7 -59.7 -33.7 43.3 -5.0 33.0 854 407 B Q H < S+ 0 0 112 -4,-1.3 -1,-0.2 -5,-0.2 -2,-0.2 0.830 109.8 48.2 -73.5 -34.3 43.8 -5.4 29.3 855 408 B E H < S+ 0 0 10 -4,-1.7 2,-0.2 -3,-0.2 -2,-0.2 0.763 89.1 103.0 -73.3 -30.3 40.1 -4.5 28.5 856 409 B L < - 0 0 14 -4,-1.7 2,-0.5 -5,-0.2 -50,-0.2 -0.394 52.7-170.8 -61.1 121.6 40.3 -1.4 30.7 857 410 B I E +K 805 0M 48 -52,-2.2 -52,-2.1 -2,-0.2 2,-0.3 -0.981 17.1 161.2-116.4 124.6 40.6 1.8 28.7 858 411 B I E +K 804 0M 16 -2,-0.5 2,-0.3 -54,-0.2 -54,-0.2 -0.871 15.7 176.5-139.3 104.0 41.3 5.1 30.4 859 412 B D E +K 803 0M 58 -56,-2.5 -57,-1.7 -2,-0.3 -56,-0.9 -0.780 54.9 47.2-107.1 152.4 42.6 7.7 28.0 860 413 B G S S+ 0 0 53 -2,-0.3 2,-0.3 -59,-0.3 -60,-0.2 0.026 109.3 48.6 108.3 -25.7 43.4 11.4 28.7 861 414 B I S S- 0 0 14 -3,-0.2 2,-0.3 -62,-0.1 -1,-0.2 -0.925 86.9-104.9-136.1 160.2 45.4 10.7 31.9 862 415 B K - 0 0 112 -2,-0.3 -73,-0.3 -64,-0.1 2,-0.3 -0.669 39.5-176.3 -80.6 144.1 48.2 8.4 33.0 863 416 B T - 0 0 20 -2,-0.3 3,-0.5 -75,-0.3 -75,-0.2 -0.898 38.0-116.8-132.3 167.3 47.2 5.4 35.2 864 417 B N S > S+ 0 0 2 -77,-1.3 4,-2.4 -2,-0.3 3,-0.2 0.159 79.2 114.0 -87.3 17.2 49.1 2.6 36.9 865 418 B V H > S+ 0 0 15 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.897 74.7 54.2 -57.2 -39.9 47.3 -0.0 34.8 866 419 B D H > S+ 0 0 97 -3,-0.5 4,-2.0 1,-0.2 -1,-0.2 0.881 108.3 49.3 -62.7 -39.8 50.7 -0.9 33.2 867 420 B L H > S+ 0 0 2 -3,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.931 109.6 51.5 -59.6 -47.6 52.2 -1.5 36.6 868 421 B Q H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.901 108.5 51.5 -58.9 -42.4 49.3 -3.7 37.6 869 422 B I H X S+ 0 0 44 -4,-2.4 4,-1.5 1,-0.2 -1,-0.2 0.926 109.5 50.4 -57.3 -47.4 49.8 -5.8 34.5 870 423 B R H X S+ 0 0 83 -4,-2.0 4,-0.5 2,-0.2 -2,-0.2 0.880 110.8 49.6 -56.0 -42.3 53.5 -6.2 35.4 871 424 B I H >< S+ 0 0 2 -4,-2.3 3,-0.9 1,-0.2 -2,-0.2 0.908 109.1 50.2 -68.1 -43.3 52.5 -7.3 38.9 872 425 B M H 3< S+ 0 0 0 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.802 113.1 48.4 -62.5 -29.0 50.0 -9.9 37.7 873 426 B N H 3< S+ 0 0 89 -4,-1.5 -1,-0.2 -5,-0.2 2,-0.2 0.521 85.4 114.8 -86.8 -10.1 52.7 -11.2 35.3 874 427 B D S+ 0 0 159 -2,-0.2 4,-1.7 2,-0.2 -1,-0.1 0.811 97.6 51.9 -69.0 -33.6 56.3 -14.9 38.9 876 429 B N H > S+ 0 0 87 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.913 112.3 45.7 -69.2 -44.1 56.8 -14.4 42.6 877 430 B F H 4 S+ 0 0 5 2,-0.2 -2,-0.2 1,-0.2 -1,-0.2 0.919 110.8 54.1 -59.6 -43.9 53.3 -12.8 42.9 878 431 B Q H < S+ 0 0 61 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.843 110.8 46.1 -62.1 -34.7 52.0 -15.7 40.8 879 432 B H H < S- 0 0 163 -4,-1.7 -1,-0.2 -5,-0.1 -2,-0.2 0.898 111.4-143.3 -68.0 -45.2 53.6 -18.1 43.3 880 433 B G < + 0 0 10 -4,-2.6 -2,-0.1 -5,-0.1 -1,-0.1 -0.154 66.2 81.7 101.5 163.1 52.2 -16.1 46.2 881 434 B G + 0 0 34 1,-0.2 -4,-0.1 -4,-0.1 -3,-0.1 0.615 52.1 165.1 80.5 15.3 53.4 -15.1 49.6 882 435 B T - 0 0 21 -6,-0.2 -1,-0.2 -5,-0.1 -204,-0.2 -0.328 34.0-118.9 -61.3 145.6 55.6 -12.1 48.6 883 436 B N > - 0 0 31 -228,-0.1 3,-1.4 1,-0.1 4,-0.4 -0.175 26.3 -94.9 -84.9 178.4 56.6 -9.8 51.5 884 437 B I T 3 S+ 0 0 31 -230,-2.4 -204,-0.2 1,-0.3 4,-0.2 0.604 123.1 53.4 -70.0 -13.0 55.9 -6.2 52.2 885 438 B H T 3> S+ 0 0 37 -231,-0.3 4,-1.2 1,-0.1 -1,-0.3 0.509 84.1 92.7 -95.7 -7.4 59.2 -5.2 50.7 886 439 B Y H <> S+ 0 0 40 -3,-1.4 4,-1.9 1,-0.2 3,-0.4 0.883 78.6 50.3 -61.0 -49.7 58.8 -7.0 47.4 887 440 B L H > S+ 0 0 0 -4,-0.4 4,-2.1 -209,-0.3 -1,-0.2 0.912 108.4 51.5 -59.8 -47.1 57.3 -4.3 45.1 888 441 B E H > S+ 0 0 82 -208,-0.5 4,-1.0 1,-0.2 -1,-0.2 0.791 111.3 46.9 -64.8 -30.4 59.8 -1.6 45.8 889 442 B K H < S+ 0 0 140 -4,-1.2 -1,-0.2 -3,-0.4 -2,-0.2 0.804 110.8 51.7 -81.2 -28.1 62.8 -3.9 45.1 890 443 B K H < S+ 0 0 80 -4,-1.9 -2,-0.2 2,-0.2 -1,-0.2 0.842 116.5 42.1 -65.1 -35.6 61.2 -5.2 41.9 891 444 B L H < 0 0 60 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.665 360.0 360.0 -83.9 -21.0 60.8 -1.5 41.0 892 445 B G < 0 0 98 -4,-1.0 -2,-0.2 -5,-0.2 -3,-0.2 0.804 360.0 360.0 -83.9 360.0 64.3 -0.6 42.2