==== 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 LIGASE 05-MAY-11 3RV3 . COMPND 2 MOLECULE: BIOTIN CARBOXYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR C.Y.CHOU,L.TONG . 894 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 33829.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 624 69.8 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 17.4 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 . 2 0.2 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 . 69 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 65 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 248 27.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 19 2.1 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 5 1 2 4 4 1 5 0 2 2 0 0 0 2 2 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 3 2 4 5 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 . 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 1CA G 0 0 124 0, 0.0 3,-0.1 0, 0.0 321,-0.0 0.000 360.0 360.0 360.0 166.9 40.6 18.7 45.4 2 1BA S - 0 0 66 1,-0.1 318,-0.1 315,-0.1 320,-0.1 -0.167 360.0 -78.8 -68.2 162.0 39.1 16.5 48.1 3 1AA H - 0 0 181 1,-0.1 -1,-0.1 317,-0.0 3,-0.1 -0.276 48.8-115.4 -59.1 145.0 39.6 12.7 48.3 4 1 A M - 0 0 43 23,-0.2 -1,-0.1 1,-0.2 313,-0.1 -0.345 46.2 -74.1 -74.8 161.1 37.5 10.6 46.1 5 2 A L - 0 0 14 311,-0.3 25,-0.2 1,-0.1 -1,-0.2 -0.332 44.5-133.5 -48.6 134.8 34.9 8.1 47.4 6 3 A D S S- 0 0 84 1,-0.2 24,-2.5 23,-0.1 2,-0.3 0.927 77.4 -4.0 -62.2 -48.0 36.7 5.2 48.9 7 4 A K E -a 30 0A 23 22,-0.2 72,-2.6 70,-0.1 73,-1.0 -0.997 64.4-165.2-152.4 135.3 34.7 2.4 47.3 8 5 A I E -ab 31 80A 0 22,-2.5 24,-2.2 -2,-0.3 2,-0.5 -0.966 18.7-133.4-127.9 150.6 31.5 2.2 45.2 9 6 A V E -ab 32 81A 0 71,-2.3 73,-2.7 -2,-0.4 2,-0.9 -0.861 19.3-143.7 -89.4 127.0 29.0 -0.5 44.1 10 7 A I E -ab 33 82A 0 22,-2.9 2,-1.3 -2,-0.5 24,-1.0 -0.841 13.7-164.4 -93.6 102.4 28.3 -0.4 40.4 11 8 A A + 0 0 5 71,-2.6 77,-0.3 -2,-0.9 2,-0.2 -0.469 59.5 58.0 -92.2 62.9 24.6 -1.2 40.3 12 9 A N - 0 0 4 -2,-1.3 2,-0.2 22,-0.3 22,-0.1 -0.847 67.3-132.5-162.1-166.6 24.3 -2.0 36.7 13 10 A R >> + 0 0 19 -2,-0.2 4,-1.4 22,-0.1 3,-0.5 -0.838 55.5 25.1-146.8 178.2 25.7 -4.4 34.0 14 11 A G H 3> S- 0 0 3 -2,-0.2 4,-1.7 1,-0.2 30,-0.2 -0.162 115.1 -12.0 65.8-142.1 27.1 -4.5 30.4 15 12 A E H 3> S+ 0 0 4 372,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.883 134.9 51.3 -69.4 -38.5 28.8 -1.5 28.8 16 13 A I H <> S+ 0 0 1 -3,-0.5 4,-2.2 2,-0.2 -1,-0.2 0.870 107.4 53.3 -69.1 -36.5 27.7 1.1 31.3 17 14 A A H X S+ 0 0 0 -4,-1.4 4,-2.6 2,-0.2 -1,-0.2 0.919 111.6 46.2 -59.9 -44.9 29.0 -0.9 34.3 18 15 A L H X S+ 0 0 0 -4,-1.7 4,-2.7 2,-0.2 -2,-0.2 0.889 110.4 53.5 -61.6 -42.2 32.4 -1.2 32.5 19 16 A R H X S+ 0 0 3 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.903 113.0 43.2 -59.0 -42.8 32.3 2.6 31.7 20 17 A I H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.903 111.3 55.2 -70.1 -43.6 31.7 3.4 35.4 21 18 A L H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.927 107.5 49.5 -54.2 -48.3 34.4 0.8 36.4 22 19 A R H X S+ 0 0 11 -4,-2.7 4,-1.7 1,-0.2 -1,-0.2 0.895 109.6 51.5 -60.4 -41.1 37.0 2.5 34.2 23 20 A A H X S+ 0 0 0 -4,-1.7 4,-1.6 1,-0.2 -1,-0.2 0.929 109.7 50.1 -60.8 -46.9 36.1 5.9 35.7 24 21 A C H <>S+ 0 0 0 -4,-2.5 5,-2.7 1,-0.2 4,-0.5 0.922 108.7 51.6 -54.2 -49.8 36.5 4.5 39.3 25 22 A K H ><5S+ 0 0 34 -4,-2.3 3,-0.7 1,-0.2 -1,-0.2 0.861 107.3 52.1 -61.9 -36.7 39.9 3.0 38.5 26 23 A E H 3<5S+ 0 0 23 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.862 114.3 44.4 -64.3 -36.2 41.3 6.3 37.1 27 24 A L T 3<5S- 0 0 36 -4,-1.6 -23,-0.2 -5,-0.2 -1,-0.2 0.401 116.5-114.9 -88.7 1.1 40.2 8.1 40.3 28 25 A G T < 5 + 0 0 65 -3,-0.7 2,-0.4 -4,-0.5 -3,-0.2 0.685 64.1 150.4 71.3 20.7 41.6 5.3 42.5 29 26 A I < - 0 0 4 -5,-2.7 -1,-0.3 -6,-0.2 -22,-0.2 -0.700 48.4-120.2 -84.2 128.6 38.1 4.4 43.7 30 27 A K E -a 7 0A 75 -24,-2.5 -22,-2.5 -2,-0.4 2,-0.4 -0.453 30.0-134.7 -68.7 146.8 37.7 0.7 44.7 31 28 A T E -a 8 0A 0 -24,-0.2 19,-1.5 16,-0.1 2,-0.5 -0.884 19.1-169.9-115.5 134.2 35.1 -1.2 42.7 32 29 A V E -ac 9 50A 0 -24,-2.2 -22,-2.9 -2,-0.4 2,-0.8 -0.988 12.2-157.2-117.1 118.9 32.3 -3.6 43.7 33 30 A A E -ac 10 51A 0 17,-3.1 19,-2.6 -2,-0.5 2,-0.4 -0.873 5.2-167.7 -98.7 109.1 30.5 -5.4 40.9 34 31 A V E + c 0 52A 0 -24,-1.0 -22,-0.3 -2,-0.8 2,-0.3 -0.830 23.2 164.2 -90.8 133.0 27.0 -6.7 41.8 35 32 A H E - c 0 53A 5 17,-2.0 19,-2.6 -2,-0.4 20,-0.6 -0.965 37.9-109.3-148.3 158.8 25.7 -9.1 39.2 36 33 A S E > - c 0 55A 0 -2,-0.3 3,-1.3 17,-0.2 21,-0.1 -0.395 45.1-100.8 -81.5 170.4 23.1 -11.7 38.5 37 34 A S T 3 S+ 0 0 53 18,-1.5 3,-0.5 1,-0.3 -1,-0.1 0.680 124.0 56.4 -69.4 -19.5 24.1 -15.4 38.1 38 35 A A T 3 S+ 0 0 35 1,-0.2 3,-0.3 2,-0.1 -1,-0.3 0.593 102.7 57.6 -81.6 -13.1 24.0 -15.1 34.3 39 36 A D X + 0 0 0 -3,-1.3 3,-1.2 1,-0.2 -1,-0.2 0.031 63.9 114.3-111.1 24.8 26.6 -12.2 34.4 40 37 A R T 3 S+ 0 0 135 -3,-0.5 -1,-0.2 1,-0.2 -2,-0.1 0.769 81.1 49.4 -64.3 -26.6 29.5 -13.8 36.2 41 38 A D T 3 S+ 0 0 93 -3,-0.3 -1,-0.2 338,-0.1 -2,-0.1 0.271 78.0 133.1-103.4 10.2 31.6 -13.5 33.0 42 39 A L <> - 0 0 0 -3,-1.2 4,-2.4 1,-0.1 3,-0.3 -0.352 65.0-121.2 -56.3 140.2 30.9 -9.8 32.3 43 40 A K H > S+ 0 0 13 330,-0.4 4,-1.1 1,-0.2 5,-0.2 0.897 112.6 47.9 -52.6 -46.1 34.1 -7.8 31.5 44 41 A H H > S+ 0 0 0 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.852 109.3 54.2 -67.8 -32.1 33.7 -5.3 34.4 45 42 A V H 4 S+ 0 0 9 -3,-0.3 3,-0.3 1,-0.2 -1,-0.2 0.937 108.2 49.4 -63.9 -46.6 33.0 -8.2 36.8 46 43 A L H < S+ 0 0 111 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.738 117.4 42.1 -62.4 -23.4 36.3 -9.8 35.7 47 44 A L H < S+ 0 0 41 -4,-1.1 -1,-0.2 -5,-0.2 -2,-0.2 0.629 92.2 107.5 -96.6 -17.1 38.0 -6.4 36.3 48 45 A A < - 0 0 16 -4,-1.6 -16,-0.1 -3,-0.3 3,-0.1 -0.298 68.8-134.9 -71.4 147.7 36.3 -5.5 39.5 49 46 A D S S+ 0 0 96 -18,-0.3 2,-0.3 1,-0.2 -17,-0.2 0.830 92.0 15.5 -64.8 -37.0 38.1 -5.5 42.9 50 47 A E E -c 32 0A 72 -19,-1.5 -17,-3.1 2,-0.0 2,-0.4 -0.984 68.9-160.5-140.9 145.1 35.1 -7.2 44.5 51 48 A T E -c 33 0A 75 -2,-0.3 2,-0.4 -19,-0.2 -17,-0.2 -0.981 4.8-174.0-128.8 145.5 32.1 -9.1 43.2 52 49 A V E -c 34 0A 28 -19,-2.6 -17,-2.0 -2,-0.4 2,-0.6 -0.983 22.0-136.9-136.5 123.9 28.7 -9.9 44.8 53 50 A C E -c 35 0A 54 -2,-0.4 -17,-0.2 -19,-0.2 -19,-0.1 -0.715 18.7-173.5 -77.4 122.3 26.0 -12.1 43.2 54 51 A I E - 0 0 10 -19,-2.6 -18,-0.2 -2,-0.6 14,-0.1 0.298 55.0 -56.4-102.7 7.2 22.7 -10.3 43.9 55 52 A G E S-c 36 0A 19 -20,-0.6 -18,-1.5 13,-0.1 -1,-0.3 -0.879 71.4 -42.5 146.8-176.5 20.4 -13.0 42.6 56 53 A P S S- 0 0 60 0, 0.0 5,-0.1 0, 0.0 -2,-0.0 -0.165 70.2 -77.2 -77.2 178.2 19.5 -15.2 39.6 57 54 A A S S+ 0 0 8 -21,-0.1 5,-0.1 5,-0.1 -21,-0.1 0.791 97.0 91.2 -45.3 -55.9 19.2 -14.2 35.9 58 55 A P S >> S- 0 0 46 0, 0.0 3,-1.1 0, 0.0 4,-0.7 -0.192 75.6-133.2 -52.8 136.9 15.8 -12.3 35.7 59 56 A S G >4>S+ 0 0 25 324,-0.3 5,-2.1 1,-0.2 3,-1.1 0.865 104.3 65.0 -56.3 -42.0 16.3 -8.6 36.2 60 57 A V G 345S+ 0 0 103 1,-0.2 -1,-0.2 3,-0.2 -3,-0.1 0.824 108.7 40.3 -48.9 -33.8 13.4 -8.5 38.7 61 58 A K G <45S+ 0 0 113 -3,-1.1 -1,-0.2 -5,-0.1 -2,-0.2 0.571 131.3 17.3 -95.5 -9.8 15.4 -10.8 41.0 62 59 A S T X<5S+ 0 0 0 -3,-1.1 3,-2.0 -4,-0.7 -3,-0.2 0.617 126.6 29.3-125.1 -80.4 18.9 -9.1 40.6 63 60 A Y T 3 5S+ 0 0 1 1,-0.3 25,-0.3 -5,-0.1 -3,-0.2 0.630 128.1 44.4 -72.3 -11.8 19.4 -5.6 39.2 64 61 A L T 3 - 0 0 50 -3,-2.0 4,-1.8 -6,-0.2 3,-0.2 -0.696 47.0-175.0 -88.3 87.7 16.6 -6.2 43.9 66 63 A I H > S+ 0 0 26 -2,-1.3 4,-2.2 1,-0.2 3,-0.3 0.908 77.4 45.5 -51.9 -56.6 16.8 -3.1 46.1 67 64 A P H > S+ 0 0 75 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.847 111.8 52.3 -62.7 -34.5 17.7 -4.8 49.4 68 65 A A H > S+ 0 0 26 -3,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.867 110.9 48.2 -62.5 -38.2 20.3 -7.1 47.8 69 66 A I H X S+ 0 0 1 -4,-1.8 4,-1.3 -3,-0.3 -1,-0.2 0.927 115.1 43.1 -72.6 -43.6 22.1 -4.1 46.2 70 67 A I H X S+ 0 0 13 -4,-2.2 4,-1.8 2,-0.2 3,-0.3 0.913 112.7 52.9 -68.0 -45.9 22.1 -2.0 49.4 71 68 A S H X S+ 0 0 64 -4,-2.5 4,-3.0 -5,-0.2 -1,-0.2 0.858 104.1 58.4 -54.2 -39.0 23.2 -5.0 51.5 72 69 A A H X S+ 0 0 0 -4,-1.7 4,-1.7 2,-0.2 -1,-0.2 0.879 103.2 51.8 -60.1 -40.6 26.0 -5.6 49.0 73 70 A A H X>S+ 0 0 0 -4,-1.3 5,-2.6 -3,-0.3 4,-0.9 0.919 112.7 46.4 -58.6 -45.4 27.3 -2.0 49.8 74 71 A E H ><5S+ 0 0 131 -4,-1.8 3,-0.6 3,-0.2 -2,-0.2 0.940 110.5 50.5 -66.9 -47.6 27.3 -2.8 53.5 75 72 A I H 3<5S+ 0 0 122 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.848 118.4 38.9 -62.4 -30.0 29.0 -6.2 53.2 76 73 A T H 3<5S- 0 0 16 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.524 110.5-120.5 -95.8 -9.2 31.8 -4.7 51.1 77 74 A G T <<5 + 0 0 42 -4,-0.9 -3,-0.2 -3,-0.6 -4,-0.1 0.839 51.6 168.2 70.4 33.4 32.0 -1.5 53.1 78 75 A A < - 0 0 6 -5,-2.6 -70,-0.2 -6,-0.2 -1,-0.1 -0.300 30.5-154.6 -68.9 157.6 31.2 0.6 50.1 79 76 A V S S+ 0 0 54 -72,-2.6 25,-2.3 1,-0.2 2,-0.3 0.525 71.3 21.1-110.8 -15.9 30.3 4.3 50.7 80 77 A A E -bd 8 104A 0 -73,-1.0 -71,-2.3 23,-0.2 2,-0.4 -0.975 59.6-141.6-151.4 159.1 28.2 4.9 47.5 81 78 A I E -bd 9 105A 0 23,-2.5 25,-2.4 -2,-0.3 -71,-0.2 -0.997 8.1-156.8-128.2 129.2 26.2 3.3 44.7 82 79 A H E -b 10 0A 1 -73,-2.7 -71,-2.6 -2,-0.4 25,-0.1 -0.944 3.4-164.5-105.0 117.5 26.2 4.3 41.1 83 80 A P - 0 0 5 0, 0.0 6,-0.4 0, 0.0 5,-0.2 0.455 16.9-157.3 -81.9 -5.7 23.0 3.1 39.4 84 81 A G - 0 0 1 4,-0.1 212,-0.5 5,-0.1 2,-0.3 -0.410 48.1 -42.3 66.1-134.1 24.2 3.6 35.7 85 82 A Y S S+ 0 0 37 210,-0.1 3,-0.1 -2,-0.1 212,-0.1 -0.917 108.5 6.2-127.5 157.1 21.2 4.0 33.4 86 83 A G S > S+ 0 0 35 -2,-0.3 3,-2.5 1,-0.2 4,-0.2 -0.335 100.9 63.3 67.9-155.9 17.9 2.1 33.4 87 84 A F T 3 S- 0 0 66 1,-0.3 3,-0.3 2,-0.1 -1,-0.2 -0.136 127.4 -15.9 39.4-115.2 17.2 -0.4 36.2 88 85 A L T > S+ 0 0 8 -77,-0.3 3,-2.1 -25,-0.3 -1,-0.3 0.385 105.6 105.9 -98.3 3.5 17.0 1.5 39.5 89 86 A S T < S+ 0 0 1 -3,-2.5 -1,-0.2 -6,-0.4 -2,-0.1 0.755 92.3 29.9 -62.6 -31.3 18.6 4.8 38.3 90 87 A E T 3 S+ 0 0 57 -3,-0.3 2,-0.8 -4,-0.2 -1,-0.3 -0.056 91.1 117.7-117.8 32.6 15.4 6.8 38.2 91 88 A N <> - 0 0 53 -3,-2.1 4,-1.9 1,-0.2 5,-0.1 -0.871 46.5-167.2 -97.8 106.6 13.8 4.8 40.9 92 89 A A H > S+ 0 0 12 -2,-0.8 4,-2.4 1,-0.2 5,-0.2 0.835 86.5 58.3 -64.9 -34.9 13.1 7.3 43.8 93 90 A N H > S+ 0 0 91 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.949 107.6 48.3 -55.8 -49.3 12.3 4.5 46.3 94 91 A F H > S+ 0 0 0 2,-0.2 4,-2.8 1,-0.2 -2,-0.2 0.914 109.8 50.8 -56.2 -48.6 15.8 3.1 45.6 95 92 A A H X S+ 0 0 0 -4,-1.9 4,-2.1 -7,-0.2 -1,-0.2 0.908 112.9 46.8 -60.4 -44.3 17.6 6.5 46.0 96 93 A E H X S+ 0 0 46 -4,-2.4 4,-2.9 2,-0.2 5,-0.2 0.940 113.3 47.8 -58.0 -52.3 15.8 7.1 49.4 97 94 A Q H X S+ 0 0 88 -4,-2.6 4,-1.4 2,-0.2 -2,-0.2 0.884 108.8 55.0 -61.3 -39.6 16.6 3.6 50.7 98 95 A V H <>S+ 0 0 0 -4,-2.8 5,-2.1 -5,-0.2 3,-0.5 0.969 113.5 40.9 -57.4 -52.8 20.2 4.0 49.6 99 96 A E H ><5S+ 0 0 78 -4,-2.1 3,-1.8 1,-0.2 -2,-0.2 0.885 111.4 55.4 -61.4 -42.8 20.6 7.2 51.6 100 97 A R H 3<5S+ 0 0 195 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.732 105.0 55.0 -67.3 -21.4 18.6 5.9 54.7 101 98 A S T 3<5S- 0 0 52 -4,-1.4 -1,-0.3 -3,-0.5 -2,-0.2 0.412 127.1-100.5 -88.6 -2.0 20.9 3.0 54.9 102 99 A G T < 5S+ 0 0 64 -3,-1.8 2,-0.3 1,-0.3 -3,-0.2 0.580 82.6 117.2 98.3 13.2 23.9 5.4 55.1 103 100 A F < - 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0 0 12 -4,-1.5 2,-0.5 -52,-0.1 -50,-0.2 -0.428 49.5-174.4 -67.4 117.2 45.1 -6.1 27.2 858 410 B I E +K 806 0M 45 -52,-2.6 -52,-2.2 -2,-0.3 2,-0.2 -0.967 16.9 161.3-115.2 126.7 45.3 -9.9 26.6 859 411 B I E +K 805 0M 13 -2,-0.5 3,-0.3 -54,-0.2 2,-0.3 -0.760 18.3 177.5-140.4 91.3 47.9 -11.4 24.2 860 412 B D E +K 804 0M 58 -56,-2.5 -57,-1.9 -2,-0.2 -56,-1.0 -0.691 53.4 43.6 -97.7 148.5 48.1 -15.2 25.0 861 413 B G S S+ 0 0 54 -2,-0.3 2,-0.3 -59,-0.2 -60,-0.2 0.140 107.2 51.0 111.0 -19.6 50.3 -17.7 23.2 862 414 B I S S- 0 0 18 -3,-0.3 2,-0.3 -62,-0.1 -1,-0.2 -0.910 89.8-100.8-135.4 162.7 53.6 -15.6 22.9 863 415 B K + 0 0 106 -2,-0.3 2,-0.3 -64,-0.1 -65,-0.2 -0.690 44.5 178.4 -82.8 144.3 55.6 -13.7 25.5 864 416 B T - 0 0 14 -2,-0.3 3,-0.4 -75,-0.3 -75,-0.2 -0.881 40.9-115.6-134.8 171.9 55.1 -9.9 25.5 865 417 B N S > S+ 0 0 2 -77,-1.2 4,-2.4 -2,-0.3 5,-0.2 0.221 79.8 111.0 -92.6 15.8 56.4 -6.9 27.5 866 418 B V H > S+ 0 0 13 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.921 78.1 52.3 -54.4 -45.9 52.9 -6.1 28.9 867 419 B D H > S+ 0 0 105 -3,-0.4 4,-1.9 1,-0.2 -1,-0.2 0.892 109.5 49.7 -57.2 -42.0 54.1 -7.1 32.4 868 420 B L H > S+ 0 0 5 2,-0.2 4,-2.3 -4,-0.2 -1,-0.2 0.925 108.9 51.8 -60.4 -46.0 57.1 -4.7 32.0 869 421 B Q H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.866 107.5 52.2 -64.4 -35.5 54.8 -1.9 30.9 870 422 B I H X S+ 0 0 48 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.935 108.5 51.7 -62.6 -45.3 52.6 -2.3 34.0 871 423 B R H < S+ 0 0 127 -4,-1.9 4,-0.3 2,-0.2 -2,-0.2 0.912 110.3 48.6 -56.3 -43.9 55.7 -2.2 36.2 872 424 B I H >< S+ 0 0 0 -4,-2.3 3,-1.6 1,-0.2 6,-0.2 0.935 109.7 50.4 -64.9 -46.1 56.8 1.1 34.6 873 425 B M H 3< S+ 0 0 0 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.840 111.2 50.7 -58.5 -33.5 53.3 2.7 34.9 874 426 B N T 3< S+ 0 0 93 -4,-1.8 2,-0.5 -5,-0.2 -1,-0.3 0.429 84.2 115.0 -82.3 -3.2 53.4 1.7 38.6 875 427 B D <> - 0 0 16 -3,-1.6 4,-2.2 -4,-0.3 3,-0.4 -0.603 60.6-148.7 -75.7 118.6 56.9 3.2 39.1 876 428 B E H > S+ 0 0 148 -2,-0.5 4,-1.4 1,-0.2 -1,-0.1 0.801 97.0 52.5 -58.1 -34.4 56.7 6.2 41.5 877 429 B N H > S+ 0 0 79 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.814 108.5 49.2 -73.5 -33.4 59.6 8.0 39.8 878 430 B F H 4 S+ 0 0 3 -3,-0.4 -2,-0.2 -6,-0.2 -1,-0.2 0.875 108.3 55.5 -67.7 -39.8 57.9 7.7 36.4 879 431 B Q H < S+ 0 0 49 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.857 109.3 45.4 -62.2 -35.1 54.8 9.1 38.0 880 432 B H H < S- 0 0 140 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.889 111.2-148.1 -72.5 -36.6 56.8 12.1 39.2 881 433 B G < + 0 0 4 -4,-1.9 -2,-0.1 -5,-0.1 -1,-0.1 -0.048 63.5 83.9 93.7 166.6 58.3 12.4 35.7 882 434 B G + 0 0 30 1,-0.2 -4,-0.1 -4,-0.1 2,-0.1 0.668 52.0 162.0 75.9 20.5 61.6 13.5 34.2 883 435 B T - 0 0 18 -6,-0.2 -1,-0.2 1,-0.1 -204,-0.1 -0.415 37.1-112.4 -70.6 149.7 63.5 10.3 34.7 884 436 B N > - 0 0 34 -228,-0.1 3,-1.6 1,-0.1 4,-0.4 -0.124 26.2 -94.0 -85.9 178.6 66.7 10.0 32.5 885 437 B I T 3 S+ 0 0 17 -230,-2.3 -204,-0.2 1,-0.3 -201,-0.2 0.553 122.6 49.9 -71.0 -6.6 67.7 7.8 29.6 886 438 B H T 3> S+ 0 0 22 -231,-0.2 4,-1.6 -233,-0.2 -1,-0.3 0.371 84.2 94.4-111.8 3.6 69.4 5.4 31.9 887 439 B Y H <> S+ 0 0 41 -3,-1.6 4,-2.9 -208,-0.2 5,-0.2 0.908 78.2 51.9 -66.4 -49.4 66.6 4.9 34.4 888 440 B L H > S+ 0 0 1 -4,-0.4 4,-2.5 -209,-0.3 5,-0.2 0.918 111.9 45.9 -57.5 -48.7 64.8 1.8 33.1 889 441 B E H >>S+ 0 0 46 -208,-0.4 5,-2.9 1,-0.2 4,-0.7 0.879 113.1 51.3 -65.1 -38.7 68.0 -0.3 32.9 890 442 B K H ><5S+ 0 0 137 -4,-1.6 3,-0.6 3,-0.2 -1,-0.2 0.908 110.3 49.0 -59.8 -45.8 69.0 0.9 36.4 891 443 B K H 3<5S+ 0 0 55 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.908 111.7 48.5 -60.2 -44.5 65.5 -0.1 37.8 892 444 B L H 3<5S- 0 0 39 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.607 110.8-123.6 -74.4 -11.7 65.7 -3.6 36.2 893 445 B G T <<5 + 0 0 55 -4,-0.7 2,-0.9 -3,-0.6 -3,-0.2 0.922 45.7 178.7 68.5 45.9 69.2 -4.0 37.6 894 446 B L < 0 0 78 -5,-2.9 -1,-0.2 -6,-0.1 -2,-0.1 -0.753 360.0 360.0 -94.9 106.3 70.5 -4.6 34.1 895 447 B Q 0 0 240 -2,-0.9 0, 0.0 -5,-0.0 0, 0.0 -0.353 360.0 360.0 -84.2 360.0 74.3 -5.3 33.8