==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 19-JAN-00 1DV2 . COMPND 2 MOLECULE: BIOTIN CARBOXYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR J.B.THODEN,C.Z.BLANCHARD,H.M.HOLDEN,G.L.WALDROP . 898 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 34011.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 630 70.2 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 . 158 17.6 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 . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 74 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 69 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 245 27.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 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 6 1 0 4 5 2 4 0 0 4 1 0 0 3 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 . 5 2 2 6 4 2 2 2 0 2 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 1CA G 0 0 98 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-111.1 -6.1 29.0 28.7 2 1BA S + 0 0 108 1,-0.1 25,-0.0 2,-0.0 0, 0.0 -0.561 360.0 123.4-127.7 66.8 -6.9 30.5 32.0 3 1AA H + 0 0 150 -2,-0.2 2,-0.2 314,-0.0 319,-0.2 -0.474 50.7 145.6-119.6 46.3 -5.5 28.1 34.7 4 1 A M - 0 0 40 1,-0.1 313,-0.1 23,-0.1 -2,-0.0 -0.611 57.4 -85.5 -91.2 146.8 -3.6 31.1 36.0 5 2 A L - 0 0 19 311,-0.3 25,-0.3 -2,-0.2 3,-0.2 -0.157 30.0-144.7 -55.9 129.4 -2.6 32.3 39.5 6 3 A D S S- 0 0 106 1,-0.3 24,-2.4 23,-0.2 2,-0.3 0.951 74.4 -18.2 -68.1 -46.0 -5.2 34.3 41.3 7 4 A K E -a 30 0A 28 22,-0.2 72,-2.7 70,-0.1 73,-0.9 -0.854 65.1-163.0-167.0 126.8 -2.9 36.6 43.1 8 5 A I E -ab 31 80A 0 22,-1.9 24,-1.5 -2,-0.3 2,-0.4 -0.784 21.3-116.8-117.9 159.7 0.7 36.5 43.9 9 6 A V E -ab 32 81A 0 71,-3.1 73,-3.4 -2,-0.3 2,-1.0 -0.767 15.7-144.7 -92.7 137.3 3.1 38.3 46.3 10 7 A I E -ab 33 82A 0 22,-2.6 2,-2.1 -2,-0.4 24,-0.8 -0.797 16.9-169.9-102.2 84.6 5.8 40.4 44.9 11 8 A A + 0 0 6 71,-1.4 77,-0.3 -2,-1.0 2,-0.2 -0.184 59.2 55.8 -70.0 45.9 8.5 39.7 47.5 12 9 A N - 0 0 3 -2,-2.1 2,-0.3 22,-0.2 22,-0.1 -0.693 66.0-136.0-153.7-157.1 10.8 42.3 46.2 13 10 A R > + 0 0 16 -2,-0.2 4,-0.7 22,-0.1 3,-0.4 -0.978 52.3 33.8-164.7 172.5 11.2 46.0 45.3 14 11 A G H > S- 0 0 4 -2,-0.3 4,-1.8 1,-0.2 30,-0.2 -0.313 111.5 -20.2 74.4-156.6 12.6 48.4 42.7 15 12 A E H > S+ 0 0 5 372,-0.2 4,-2.7 1,-0.2 3,-0.2 0.936 135.5 57.4 -56.8 -47.0 12.7 47.9 39.0 16 13 A I H > S+ 0 0 2 -3,-0.4 4,-2.3 1,-0.2 -1,-0.2 0.875 105.1 50.7 -51.9 -43.5 12.4 44.2 39.4 17 14 A A H X S+ 0 0 0 -4,-0.7 4,-2.1 1,-0.2 -1,-0.2 0.881 110.7 49.1 -62.6 -40.8 9.1 44.6 41.3 18 15 A L H X S+ 0 0 2 -4,-1.8 4,-3.2 -3,-0.2 -1,-0.2 0.916 109.0 51.8 -63.8 -46.6 7.7 46.8 38.6 19 16 A R H X S+ 0 0 3 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.959 113.2 44.8 -55.0 -49.5 8.7 44.5 35.9 20 17 A I H X S+ 0 0 0 -4,-2.3 4,-1.8 2,-0.2 -1,-0.2 0.804 110.0 54.8 -64.9 -35.7 6.9 41.6 37.7 21 18 A L H X S+ 0 0 2 -4,-2.1 4,-2.6 -5,-0.2 5,-0.3 0.976 106.4 54.1 -62.8 -47.5 4.0 43.7 38.4 22 19 A R H X S+ 0 0 13 -4,-3.2 4,-1.8 1,-0.2 -2,-0.2 0.930 107.6 46.1 -49.7 -59.1 3.8 44.4 34.7 23 20 A A H X S+ 0 0 0 -4,-2.1 4,-1.4 1,-0.2 -1,-0.2 0.870 110.8 57.2 -53.5 -36.4 3.7 40.8 33.6 24 21 A C H >X>S+ 0 0 0 -4,-1.8 5,-2.3 1,-0.2 4,-1.1 0.969 104.0 51.1 -59.5 -51.2 1.0 40.2 36.4 25 22 A K H ><5S+ 0 0 53 -4,-2.6 3,-0.5 1,-0.3 -1,-0.2 0.891 108.6 52.4 -55.6 -36.1 -1.2 42.8 34.9 26 23 A E H 3<5S+ 0 0 30 -4,-1.8 -1,-0.3 -5,-0.3 -2,-0.2 0.839 113.7 41.5 -71.8 -28.4 -0.9 41.2 31.5 27 24 A L H <<5S- 0 0 36 -4,-1.4 -1,-0.2 -3,-0.8 -2,-0.2 0.470 115.1-116.1 -94.1 -5.3 -1.9 37.8 32.8 28 25 A G T <<5 + 0 0 59 -4,-1.1 2,-0.3 -3,-0.5 -3,-0.2 0.640 59.6 157.6 78.8 20.4 -4.5 39.3 35.0 29 26 A I < - 0 0 3 -5,-2.3 -1,-0.2 -6,-0.2 -22,-0.2 -0.561 43.2-122.0 -76.1 129.5 -2.8 38.1 38.2 30 27 A K E -a 7 0A 95 -24,-2.4 -22,-1.9 -25,-0.3 2,-0.4 -0.401 31.6-140.3 -68.9 152.3 -3.8 40.2 41.3 31 28 A T E -a 8 0A 0 -24,-0.2 19,-2.0 16,-0.1 18,-0.9 -0.948 20.5-169.1-126.4 141.7 -0.8 41.8 43.0 32 29 A V E -ac 9 50A 0 -24,-1.5 -22,-2.6 -2,-0.4 2,-0.8 -0.985 13.3-158.8-122.3 113.7 0.3 42.3 46.5 33 30 A A E -ac 10 51A 0 17,-2.7 19,-2.3 -2,-0.5 2,-0.4 -0.861 5.5-164.6-100.7 112.7 3.2 44.6 47.0 34 31 A V E + c 0 52A 0 -24,-0.8 2,-0.3 -2,-0.8 19,-0.2 -0.813 21.1 168.0 -96.0 136.8 5.0 44.1 50.2 35 32 A H E - c 0 53A 4 17,-2.7 19,-2.8 -2,-0.4 20,-0.9 -0.941 34.9-105.4-148.6 168.7 7.3 46.8 51.2 36 33 A S E > - c 0 55A 0 -2,-0.3 3,-2.6 17,-0.2 21,-0.1 -0.617 43.1-105.2 -91.8 146.7 9.4 48.5 53.8 37 34 A S T 3 S+ 0 0 51 18,-4.0 3,-0.5 1,-0.3 -1,-0.1 0.680 121.8 51.3 -45.9 -19.0 8.5 51.7 55.5 38 35 A A T 3 S+ 0 0 37 17,-0.2 3,-0.4 1,-0.2 -1,-0.3 0.686 102.8 56.0 -99.1 -14.6 11.0 53.5 53.3 39 36 A D X + 0 0 0 -3,-2.6 3,-1.3 1,-0.2 -1,-0.2 -0.178 67.4 119.5-102.6 32.7 9.8 52.2 50.0 40 37 A R T 3 S+ 0 0 120 -3,-0.5 -1,-0.2 1,-0.3 -2,-0.1 0.734 74.5 53.7 -69.3 -18.7 6.3 53.5 50.6 41 38 A D T 3 S+ 0 0 97 -3,-0.4 -1,-0.3 338,-0.1 2,-0.1 0.179 76.3 138.1 -98.1 11.1 6.8 55.6 47.5 42 39 A L <> - 0 0 0 -3,-1.3 4,-2.2 1,-0.1 5,-0.2 -0.447 57.8-131.9 -67.7 138.2 7.8 52.9 45.1 43 40 A K H >> S+ 0 0 17 330,-0.3 4,-1.2 1,-0.3 3,-0.9 0.952 110.6 47.6 -46.8 -61.3 6.3 53.2 41.7 44 41 A H H 3> S+ 0 0 0 1,-0.3 4,-1.3 2,-0.2 -1,-0.3 0.805 106.1 59.2 -56.1 -30.3 5.3 49.5 41.9 45 42 A V H >4 S+ 0 0 11 1,-0.2 3,-0.5 2,-0.2 -1,-0.3 0.932 104.3 49.9 -63.5 -41.5 4.0 50.1 45.3 46 43 A L H << S+ 0 0 104 -4,-2.2 -1,-0.2 -3,-0.9 -2,-0.2 0.739 112.4 47.2 -66.7 -26.2 1.5 52.6 43.9 47 44 A L H 3< S+ 0 0 35 -4,-1.2 -1,-0.2 -3,-0.2 -2,-0.2 0.623 86.1 108.7 -91.7 -18.2 0.3 50.4 41.1 48 45 A A << - 0 0 18 -4,-1.3 -16,-0.1 -3,-0.5 3,-0.1 -0.137 69.4-132.6 -58.3 160.6 -0.3 47.2 43.1 49 46 A D S S+ 0 0 86 -18,-0.9 2,-0.4 1,-0.3 -17,-0.2 0.824 93.1 17.9 -81.0 -34.9 -3.8 46.0 43.8 50 47 A E E S-c 32 0A 69 -19,-2.0 -17,-2.7 2,-0.0 2,-0.3 -0.979 73.4-159.7-138.0 146.5 -3.0 45.4 47.4 51 48 A T E -c 33 0A 71 -2,-0.4 2,-0.3 -19,-0.2 -17,-0.2 -0.908 6.2-174.2-129.4 156.1 -0.2 46.7 49.5 52 49 A V E -c 34 0A 32 -19,-2.3 -17,-2.7 -2,-0.3 2,-0.8 -0.915 21.0-140.0-155.9 126.5 1.5 45.7 52.8 53 50 A C E +c 35 0A 58 -2,-0.3 -17,-0.2 -19,-0.2 -19,-0.1 -0.761 22.2 176.2 -89.4 109.4 4.1 47.2 55.0 54 51 A I E - 0 0 17 -19,-2.8 -18,-0.2 -2,-0.8 -1,-0.2 0.636 53.2 -57.4 -88.0 -19.9 6.3 44.4 56.2 55 52 A G E -c 36 0A 11 -20,-0.9 -18,-4.0 13,-0.0 -17,-0.2 -0.999 66.7 -34.0 172.2-167.6 8.8 46.4 58.1 56 53 A P - 0 0 61 0, 0.0 5,-0.2 0, 0.0 6,-0.0 -0.427 65.5 -88.2 -82.1 159.7 11.4 49.1 58.5 57 54 A A S S+ 0 0 10 -2,-0.1 6,-0.3 -21,-0.1 5,-0.1 0.771 98.4 90.4 -29.9 -63.0 14.0 50.2 56.1 58 55 A P S >> S- 0 0 69 0, 0.0 3,-1.6 0, 0.0 4,-0.7 -0.268 77.1-133.7 -55.1 129.3 16.7 47.7 56.9 59 56 A S G >4>S+ 0 0 28 1,-0.3 5,-3.4 2,-0.2 3,-0.6 0.793 100.1 65.8 -50.9 -45.7 16.5 44.6 54.9 60 57 A V G 345S+ 0 0 105 1,-0.3 -1,-0.3 3,-0.2 6,-0.1 0.723 112.7 36.5 -56.5 -18.0 16.9 42.2 57.7 61 58 A K G <45S+ 0 0 122 -3,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.595 133.2 18.9-111.2 -15.5 13.6 43.4 59.0 62 59 A S T X<5S+ 0 0 0 -4,-0.7 3,-3.4 -3,-0.6 7,-0.2 0.451 130.4 23.1-113.0 -99.8 11.8 44.0 55.8 63 60 A Y T 3 5S+ 0 0 1 1,-0.3 -3,-0.2 -6,-0.3 25,-0.2 0.587 132.5 39.9 -49.0 -19.8 12.9 42.4 52.6 64 61 A L T 3 - 0 0 42 -3,-3.4 4,-2.0 -6,-0.4 5,-0.3 -0.630 48.1-172.6 -81.1 86.3 12.0 39.2 57.0 66 63 A I H > S+ 0 0 27 -2,-1.7 4,-1.8 1,-0.2 -1,-0.2 0.761 78.2 44.7 -49.1 -40.4 10.8 35.8 56.0 67 64 A P H > S+ 0 0 79 0, 0.0 4,-3.6 0, 0.0 5,-0.3 0.868 108.8 55.3 -74.3 -42.5 7.8 35.6 58.4 68 65 A A H > S+ 0 0 20 2,-0.2 4,-1.6 1,-0.2 -2,-0.2 0.913 113.6 42.4 -53.4 -46.7 6.7 39.0 57.7 69 66 A I H X S+ 0 0 0 -4,-2.0 4,-1.0 2,-0.2 -1,-0.2 0.867 114.7 49.4 -71.0 -43.6 6.6 38.1 54.0 70 67 A I H >X S+ 0 0 19 -4,-1.8 4,-1.4 -5,-0.3 3,-0.5 0.925 112.2 47.5 -67.0 -38.6 5.1 34.8 54.5 71 68 A S H 3X S+ 0 0 60 -4,-3.6 4,-2.9 1,-0.2 5,-0.2 0.833 102.1 65.4 -69.7 -31.8 2.4 36.3 56.7 72 69 A A H 3X S+ 0 0 2 -4,-1.6 4,-0.9 -5,-0.3 -1,-0.2 0.816 103.9 46.9 -57.5 -32.6 1.7 39.0 54.2 73 70 A A H S+ 0 0 0 -4,-1.0 4,-2.6 -3,-0.5 5,-1.4 0.875 108.3 55.8 -76.6 -41.3 0.5 36.3 51.9 74 71 A E H <5S+ 0 0 129 -4,-1.4 3,-0.3 1,-0.2 -2,-0.2 0.968 110.3 43.4 -54.2 -56.5 -1.6 34.7 54.5 75 72 A I H <5S+ 0 0 115 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.758 118.5 45.2 -61.8 -28.0 -3.5 37.8 55.2 76 73 A T H <5S- 0 0 14 -4,-0.9 -1,-0.2 -5,-0.2 -2,-0.2 0.684 100.9-127.7 -90.0 -26.2 -3.9 38.6 51.6 77 74 A G T <5 + 0 0 48 -4,-2.6 -3,-0.2 -3,-0.3 -4,-0.1 0.785 48.4 160.1 82.0 26.9 -4.9 35.3 50.3 78 75 A A < - 0 0 6 -5,-1.4 -70,-0.2 -6,-0.2 -1,-0.2 -0.408 35.5-149.6 -74.3 165.1 -2.3 35.1 47.6 79 76 A V S S+ 0 0 52 -72,-2.7 25,-2.1 1,-0.1 2,-0.3 0.572 71.6 25.9-109.5 -18.4 -1.4 31.7 46.2 80 77 A A E -bd 8 104A 0 -73,-0.9 -71,-3.1 23,-0.2 2,-0.4 -0.924 59.7-140.0-144.3 171.4 2.2 32.4 45.3 81 78 A I E -bd 9 105A 0 23,-1.6 25,-2.3 -2,-0.3 -71,-0.2 -0.987 7.3-157.7-137.2 127.6 5.3 34.4 46.0 82 79 A H E -b 10 0A 1 -73,-3.4 -71,-1.4 -2,-0.4 3,-0.1 -0.908 4.1-171.6-110.5 117.1 7.7 35.8 43.6 83 80 A P - 0 0 6 0, 0.0 4,-0.4 0, 0.0 2,-0.3 0.499 16.2-164.3 -80.4 -11.5 11.2 36.5 44.9 84 81 A G - 0 0 2 22,-0.2 212,-0.7 4,-0.1 2,-0.3 -0.400 48.2 -44.7 63.4-121.3 12.5 38.3 41.9 85 82 A Y S S+ 0 0 25 -2,-0.3 3,-0.1 -3,-0.1 212,-0.1 -0.992 106.1 21.0-145.8 153.0 16.2 38.4 42.4 86 83 A G S S+ 0 0 53 -2,-0.3 -2,-0.1 1,-0.2 -1,-0.0 0.390 100.0 62.1 79.4 3.8 18.7 39.1 45.1 87 84 A F S S- 0 0 58 -4,-0.4 -1,-0.2 -76,-0.1 3,-0.2 0.558 127.6 -21.3-114.8 -76.8 17.1 38.8 48.4 88 85 A L S > S+ 0 0 14 -77,-0.3 3,-1.7 -5,-0.2 7,-0.1 0.099 100.3 114.0-113.4 9.4 15.9 35.4 49.2 89 86 A S T 3 S+ 0 0 4 -6,-0.3 -1,-0.1 1,-0.3 -5,-0.1 0.854 91.4 31.3 -54.4 -31.7 15.7 34.4 45.5 90 87 A E T 3 S+ 0 0 73 -3,-0.2 2,-0.9 -7,-0.1 -1,-0.3 0.197 92.1 114.2-112.3 17.5 18.4 31.9 46.3 91 88 A N <> - 0 0 51 -3,-1.7 4,-1.9 1,-0.1 3,-0.5 -0.769 45.6-167.7 -92.9 110.5 17.5 31.2 49.9 92 89 A A H > S+ 0 0 10 -2,-0.9 4,-3.1 1,-0.2 -1,-0.1 0.780 83.8 58.1 -68.8 -28.5 16.4 27.6 50.3 93 90 A N H > S+ 0 0 88 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.830 108.7 48.0 -71.0 -29.3 15.0 27.9 53.8 94 91 A F H > S+ 0 0 1 -3,-0.5 4,-2.2 2,-0.2 5,-0.2 0.870 113.9 45.4 -76.0 -41.3 12.6 30.6 52.5 95 92 A A H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.974 112.8 52.6 -64.5 -46.3 11.6 28.5 49.6 96 93 A E H X S+ 0 0 51 -4,-3.1 4,-2.4 1,-0.3 -2,-0.2 0.948 112.8 43.8 -50.3 -55.4 11.3 25.6 52.0 97 94 A Q H X S+ 0 0 75 -4,-2.6 4,-1.7 1,-0.3 -1,-0.3 0.792 107.1 57.6 -62.8 -34.3 9.0 27.5 54.2 98 95 A V H <>S+ 0 0 0 -4,-2.2 5,-2.7 2,-0.2 4,-0.5 0.917 111.9 44.3 -64.7 -37.2 7.0 29.0 51.5 99 96 A E H ><5S+ 0 0 75 -4,-2.4 3,-0.8 1,-0.2 -2,-0.2 0.919 112.2 51.8 -69.9 -40.0 6.3 25.6 50.5 100 97 A R H 3<5S+ 0 0 192 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.657 106.2 53.6 -68.4 -23.5 5.7 24.5 54.0 101 98 A S T 3<5S- 0 0 57 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.534 124.0-104.9 -89.9 -8.1 3.2 27.3 54.6 102 99 A G T < 5S+ 0 0 62 -3,-0.8 2,-0.3 -4,-0.5 -3,-0.2 0.885 77.5 125.9 88.8 37.4 1.3 26.1 51.6 103 100 A F < - 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0 0 15 -19,-2.0 -18,-0.2 -2,-0.9 -1,-0.2 0.695 51.5 -59.4 -83.7 -12.8 11.7 80.5 10.8 504 52 B G E S-v 485 0H 16 -20,-0.7 -18,-2.4 13,-0.0 -1,-0.2 -0.996 70.2 -33.2 164.6-171.4 8.9 82.7 11.9 505 53 B P - 0 0 58 0, 0.0 -18,-0.1 0, 0.0 5,-0.1 0.044 65.9 -89.7 -69.2 179.1 5.9 83.4 14.1 506 54 B A S S+ 0 0 10 -21,-0.2 6,-0.2 -20,-0.1 2,-0.2 0.881 96.8 89.9 -64.9 -44.3 3.6 81.0 15.7 507 55 B P S > S- 0 0 73 0, 0.0 3,-2.0 0, 0.0 4,-0.4 -0.409 79.1-131.4 -63.3 129.1 0.9 80.7 13.0 508 56 B S G > >S+ 0 0 25 324,-0.3 5,-2.7 1,-0.3 3,-2.2 0.811 100.7 68.3 -42.2 -49.6 1.9 78.0 10.6 509 57 B V G 3 5S+ 0 0 106 1,-0.3 -1,-0.3 3,-0.2 -3,-0.1 0.725 109.4 37.4 -45.1 -33.1 1.3 80.1 7.6 510 58 B K G < 5S+ 0 0 118 -3,-2.0 -1,-0.3 4,-0.1 -2,-0.2 0.365 133.4 18.7-103.7 -1.6 4.3 82.2 8.5 511 59 B S T X 5S+ 0 0 0 -3,-2.2 3,-3.8 -4,-0.4 -3,-0.2 0.308 125.7 28.6-127.9 -96.7 6.4 79.4 9.9 512 60 B Y T 3 5S+ 0 0 4 1,-0.3 -3,-0.2 -6,-0.2 -4,-0.1 0.602 132.3 38.9 -53.3 -12.0 6.0 75.8 9.2 513 61 B L T 3 - 0 0 46 -3,-3.8 4,-1.6 -6,-0.4 5,-0.2 -0.579 46.4-173.7 -79.9 87.1 6.8 79.5 5.1 515 63 B I H >> S+ 0 0 27 -2,-1.7 4,-3.3 1,-0.2 3,-0.9 0.911 79.3 44.6 -41.9 -69.0 8.7 78.0 2.1 516 64 B P H 3> S+ 0 0 77 0, 0.0 4,-3.6 0, 0.0 5,-0.2 0.893 111.3 58.0 -48.7 -40.9 11.3 80.6 1.4 517 65 B A H 3> S+ 0 0 22 1,-0.2 4,-1.5 2,-0.2 -2,-0.2 0.855 111.4 40.5 -59.0 -38.1 11.9 80.8 5.1 518 66 B I H X S+ 0 0 11 -4,-3.3 4,-2.2 1,-0.2 3,-0.7 0.985 111.5 51.9 -59.9 -49.3 14.7 77.2 2.0 520 68 B S H 3X S+ 0 0 61 -4,-3.6 4,-2.3 1,-0.3 -1,-0.2 0.837 109.8 49.3 -49.9 -45.3 16.6 80.2 3.3 521 69 B A H 3X S+ 0 0 5 -4,-1.5 4,-0.8 -5,-0.2 -1,-0.3 0.803 107.3 53.9 -68.3 -33.4 17.3 78.3 6.6 522 70 B A H <<>S+ 0 0 0 -4,-2.0 5,-2.2 -3,-0.7 4,-0.5 0.898 110.8 50.4 -64.4 -42.4 18.5 75.3 4.7 523 71 B E H ><5S+ 0 0 112 -4,-2.2 3,-1.5 1,-0.2 -2,-0.2 0.952 108.2 45.3 -60.9 -60.7 20.9 77.5 2.9 524 72 B I H 3<5S+ 0 0 116 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.651 113.6 52.7 -64.3 -16.0 22.5 79.4 5.6 525 73 B T T 3<5S- 0 0 12 -4,-0.8 -1,-0.3 -5,-0.2 -2,-0.2 0.580 107.8-124.4 -97.0 -8.0 23.0 76.3 7.6 526 74 B G T < 5 + 0 0 50 -3,-1.5 -3,-0.2 -4,-0.5 2,-0.2 0.797 53.0 160.1 64.4 38.9 24.7 74.4 4.7 527 75 B A < - 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0 0 86 -2,-0.1 -1,-0.3 1,-0.1 -41,-0.0 -0.068 44.3-125.2 -61.2 167.5 -2.7 70.1 16.2 835 383 B S S S+ 0 0 27 -43,-0.1 -42,-3.4 -32,-0.0 2,-0.2 0.534 74.2 107.5 -92.2 -13.0 -3.9 68.6 19.3 836 384 B M E +D 792 0I 18 -44,-0.3 -44,-0.3 1,-0.1 -372,-0.2 -0.541 35.3 170.0 -72.5 137.2 -1.9 65.3 19.2 837 385 B I E - 0 0 3 -46,-4.1 -15,-0.5 1,-0.3 -14,-0.4 0.319 57.0 -5.1-126.3 -0.5 0.9 65.1 21.7 838 386 B G E -DE 791 821I 0 -47,-1.1 -47,-3.1 -17,-0.2 2,-0.4 -0.958 54.1-127.0 178.9 165.3 2.2 61.6 21.6 839 387 B K E -DE 790 820I 0 -19,-2.6 -19,-3.2 -2,-0.3 2,-0.5 -0.992 14.3-158.3-132.7 139.0 1.8 58.2 20.4 840 388 B L E -DE 789 819I 0 -51,-2.7 -51,-2.7 -2,-0.4 2,-0.5 -0.963 12.9-177.7-117.8 123.5 1.7 55.1 22.3 841 389 B I E -DE 788 818I 0 -23,-3.0 -23,-3.0 -2,-0.5 2,-0.4 -0.977 6.3-172.0-130.2 130.3 2.5 51.8 20.7 842 390 B C E -DE 787 817I 0 -55,-2.0 -55,-3.5 -2,-0.5 2,-0.4 -0.950 6.0-162.2-121.3 139.6 2.4 48.3 22.1 843 391 B Y E +D 786 0I 58 -27,-2.6 2,-0.3 -2,-0.4 -57,-0.2 -0.945 10.5 176.4-121.2 140.4 3.6 45.2 20.5 844 392 B G E -D 785 0I 0 -59,-3.2 -59,-2.0 -2,-0.4 3,-0.1 -0.847 47.3-112.2-136.5 169.9 2.8 41.6 21.3 845 393 B E S S+ 0 0 81 -2,-0.3 -61,-0.4 -61,-0.2 2,-0.3 0.687 109.4 7.0 -72.9 -16.6 3.5 38.1 20.1 846 394 B N S > S- 0 0 69 -61,-0.2 4,-2.1 -62,-0.1 -61,-0.2 -0.912 89.1 -92.6-151.1 175.1 -0.2 38.3 19.2 847 395 B R H > S+ 0 0 31 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.919 119.8 55.7 -59.7 -46.8 -3.1 40.7 19.2 848 396 B D H > S+ 0 0 112 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.912 109.5 46.0 -54.0 -47.1 -4.3 39.7 22.7 849 397 B V H > S+ 0 0 12 2,-0.2 4,-3.1 1,-0.2 5,-0.3 0.920 109.1 54.1 -64.0 -47.3 -0.9 40.6 24.2 850 398 B A H X S+ 0 0 0 -4,-2.1 4,-2.6 1,-0.2 5,-0.2 0.960 112.4 45.5 -52.2 -51.7 -0.6 44.0 22.3 851 399 B I H X S+ 0 0 5 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.928 112.1 51.7 -56.2 -46.7 -4.0 44.9 23.7 852 400 B A H X S+ 0 0 15 -4,-2.3 4,-1.7 -5,-0.2 -2,-0.2 0.930 112.1 45.7 -53.0 -53.4 -3.0 43.7 27.2 853 401 B R H X S+ 0 0 4 -4,-3.1 4,-3.1 1,-0.2 5,-0.3 0.945 109.8 53.7 -56.9 -53.5 0.1 45.7 27.2 854 402 B M H X S+ 0 0 0 -4,-2.6 4,-2.4 -5,-0.3 -1,-0.2 0.893 105.2 54.4 -51.0 -46.5 -1.5 48.8 25.9 855 403 B K H X S+ 0 0 68 -4,-2.4 4,-0.9 -5,-0.2 -1,-0.2 0.952 113.0 42.8 -54.4 -49.9 -4.1 48.8 28.6 856 404 B N H >X S+ 0 0 21 -4,-1.7 4,-1.7 1,-0.2 3,-0.9 0.923 112.5 53.3 -59.2 -51.7 -1.3 48.7 31.3 857 405 B A H 3X S+ 0 0 1 -4,-3.1 4,-1.1 1,-0.3 -1,-0.2 0.888 104.7 55.0 -53.7 -42.0 0.7 51.2 29.6 858 406 B L H 3< S+ 0 0 4 -4,-2.4 -1,-0.3 -5,-0.3 -2,-0.2 0.800 107.3 52.1 -63.8 -29.2 -2.3 53.6 29.5 859 407 B Q H << S+ 0 0 107 -4,-0.9 -1,-0.2 -3,-0.9 -2,-0.2 0.830 108.3 48.2 -76.5 -34.4 -2.5 53.2 33.2 860 408 B E H < S+ 0 0 10 -4,-1.7 2,-0.3 -3,-0.2 -2,-0.2 0.599 89.7 104.2 -79.4 -19.5 1.1 54.1 34.0 861 409 B L < - 0 0 17 -4,-1.1 2,-0.5 -5,-0.2 -50,-0.2 -0.536 53.6-166.0 -72.3 126.7 1.0 57.1 31.8 862 410 B I E +K 810 0M 28 -52,-4.3 -52,-3.4 -2,-0.3 2,-0.2 -0.983 19.7 159.5-124.1 128.7 0.8 60.4 33.6 863 411 B I E +K 809 0M 17 -2,-0.5 2,-0.3 -54,-0.2 3,-0.3 -0.800 16.4 178.2-147.1 96.7 -0.1 63.7 32.0 864 412 B D E +K 808 0M 63 -56,-2.7 -57,-2.6 -2,-0.2 -56,-0.6 -0.755 54.2 38.8-104.5 149.3 -1.3 66.4 34.4 865 413 B G S S+ 0 0 55 1,-0.3 -60,-0.3 -2,-0.3 2,-0.3 0.273 108.2 53.5 102.7 -13.0 -2.4 70.0 33.8 866 414 B I S S- 0 0 20 -3,-0.3 -1,-0.3 -62,-0.1 2,-0.2 -0.886 87.4 -99.1-140.6 171.3 -4.2 69.5 30.5 867 415 B K - 0 0 104 -65,-0.7 2,-0.3 -2,-0.3 -65,-0.2 -0.655 38.5-170.3 -96.5 153.5 -7.0 67.2 29.2 868 416 B T - 0 0 21 -75,-0.3 3,-0.2 -2,-0.2 -75,-0.2 -0.868 36.6-126.1-138.0 171.7 -6.4 64.1 27.3 869 417 B N S > S+ 0 0 1 -77,-0.7 4,-1.7 -2,-0.3 3,-0.4 0.239 78.5 110.1 -98.4 9.5 -8.1 61.4 25.3 870 418 B V H >> S+ 0 0 17 1,-0.2 4,-2.5 2,-0.2 3,-0.6 0.918 72.2 53.7 -49.1 -54.9 -6.5 58.7 27.5 871 419 B D H 3> S+ 0 0 84 1,-0.3 4,-2.2 -3,-0.2 -1,-0.2 0.857 108.8 51.0 -52.3 -37.3 -9.7 57.7 29.2 872 420 B L H 3> S+ 0 0 19 -3,-0.4 4,-1.5 2,-0.2 -1,-0.3 0.865 106.6 53.7 -69.2 -34.8 -11.2 57.2 25.9 873 421 B Q H S+ 0 0 153 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.812 99.4 52.0 -61.2 -25.7 -15.4 43.8 23.6 881 429 B N H > S+ 0 0 79 2,-0.2 4,-3.0 1,-0.2 -1,-0.2 0.953 112.1 45.3 -73.3 -45.0 -16.0 44.4 20.0 882 430 B F H 4 S+ 0 0 2 1,-0.3 -2,-0.2 2,-0.2 -1,-0.2 0.939 109.1 54.5 -57.9 -51.6 -12.7 45.9 19.6 883 431 B Q H < S+ 0 0 67 -4,-4.1 -1,-0.3 1,-0.2 -2,-0.2 0.880 110.4 48.9 -51.8 -36.7 -11.1 43.1 21.6 884 432 B H H < S- 0 0 162 -4,-1.6 -2,-0.2 -5,-0.3 -1,-0.2 0.983 107.6-146.4 -67.6 -52.3 -12.8 40.8 19.0 885 433 B G < + 0 0 14 -4,-3.0 -2,-0.1 -5,-0.1 -3,-0.1 0.066 62.8 91.4 100.8 149.9 -11.5 42.8 16.1 886 434 B G + 0 0 36 1,-0.2 2,-0.1 -4,-0.1 -4,-0.1 0.745 52.3 168.2 99.9 27.6 -12.8 43.7 12.6 887 435 B T - 0 0 18 -5,-0.1 -1,-0.2 1,-0.1 -204,-0.2 -0.392 26.1-132.1 -74.5 150.4 -14.4 46.9 13.5 888 436 B N > - 0 0 31 -228,-0.1 3,-0.8 -2,-0.1 4,-0.4 -0.400 26.2-100.3 -96.6 175.9 -15.6 49.2 10.7 889 437 B I T 3 S+ 0 0 24 -230,-1.7 4,-0.4 1,-0.2 -204,-0.3 0.692 119.1 57.2 -72.5 -14.2 -15.0 52.9 10.3 890 438 B H T 3> S+ 0 0 52 -231,-0.3 4,-2.1 1,-0.1 -1,-0.2 0.669 86.2 84.4 -87.7 -17.1 -18.5 53.7 11.6 891 439 B Y H <> S+ 0 0 37 -3,-0.8 4,-2.7 1,-0.2 5,-0.3 0.832 83.2 51.6 -52.9 -55.0 -18.1 51.9 14.9 892 440 B L H > S+ 0 0 2 -4,-0.4 4,-3.0 -209,-0.4 6,-0.2 0.929 112.0 46.9 -56.9 -47.3 -16.4 54.5 17.0 893 441 B E H 4>S+ 0 0 56 -208,-0.4 5,-3.1 -4,-0.4 -1,-0.2 0.929 113.7 49.4 -60.8 -43.7 -19.0 57.2 16.2 894 442 B K H ><5S+ 0 0 123 -4,-2.1 3,-2.2 1,-0.2 -2,-0.2 0.979 114.4 42.5 -56.2 -60.8 -21.8 54.7 16.9 895 443 B K H 3<5S+ 0 0 113 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.916 107.0 63.1 -48.4 -49.4 -20.5 53.6 20.2 896 444 B L T 3<5S- 0 0 51 -4,-3.0 -1,-0.3 -5,-0.3 -2,-0.2 0.354 115.9-116.6 -59.8 5.1 -19.7 57.2 20.9 897 445 B G T < 5 + 0 0 51 -3,-2.2 2,-0.4 1,-0.2 -3,-0.2 0.832 56.0 177.3 56.7 27.7 -23.5 57.9 20.7 898 446 B L < 0 0 47 -5,-3.1 -1,-0.2 -6,-0.2 -2,-0.0 -0.525 360.0 360.0 -73.9 120.2 -22.4 60.0 17.8 899 447 B Q 0 0 226 -2,-0.4 -1,-0.2 -3,-0.2 -2,-0.1 0.827 360.0 360.0 -92.4 360.0 -25.2 61.7 15.9