==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 21-MAR-08 2J9G . COMPND 2 MOLECULE: BIOTIN CARBOXYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR I.MOCHALKIN . 885 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 34814.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 606 68.5 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 . 153 17.3 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 . 7 0.8 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 . 75 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 66 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 236 26.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 1.8 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 2 1 6 4 2 4 0 1 4 0 0 1 1 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 . 4 3 3 5 3 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 . 6 0 1 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 0 133 0, 0.0 2,-0.4 0, 0.0 312,-0.1 0.000 360.0 360.0 360.0 133.8 -30.8 -31.8 30.8 2 2 A L - 0 0 10 1,-0.1 25,-0.2 310,-0.1 3,-0.1 -0.602 360.0-148.7 -71.3 125.7 -29.8 -30.6 34.3 3 3 A D S S- 0 0 66 -2,-0.4 24,-2.4 1,-0.2 2,-0.3 0.909 71.5 -7.2 -62.9 -45.3 -33.0 -29.7 36.2 4 4 A K E -a 27 0A 28 22,-0.2 72,-2.7 70,-0.1 73,-1.3 -0.985 63.5-166.3-159.3 136.4 -31.6 -26.9 38.3 5 5 A I E -ab 28 77A 0 22,-2.3 24,-2.0 -2,-0.3 2,-0.5 -0.954 20.6-129.4-132.2 150.9 -28.2 -25.5 39.1 6 6 A V E -ab 29 78A 0 71,-2.6 73,-2.6 -2,-0.4 2,-1.0 -0.851 19.4-143.8 -90.2 128.3 -26.6 -23.2 41.6 7 7 A I E -ab 30 79A 0 22,-2.6 2,-1.7 -2,-0.5 24,-0.9 -0.837 14.4-165.6 -92.8 98.2 -24.5 -20.4 40.0 8 8 A A + 0 0 5 71,-2.4 77,-0.3 -2,-1.0 2,-0.2 -0.477 59.4 57.8 -89.0 64.0 -21.6 -20.2 42.5 9 9 A N - 0 0 3 -2,-1.7 2,-0.3 22,-0.4 22,-0.1 -0.885 66.6-133.5-166.1-165.6 -20.2 -16.9 41.2 10 10 A R > + 0 0 21 -2,-0.2 4,-1.3 22,-0.1 3,-0.5 -0.857 53.9 26.7-151.4 177.5 -21.1 -13.2 40.6 11 11 A G H > S- 0 0 3 -2,-0.3 4,-1.5 1,-0.2 30,-0.2 -0.164 113.8 -13.4 64.5-142.6 -20.9 -10.4 38.1 12 12 A E H > S+ 0 0 4 371,-0.3 4,-2.6 1,-0.2 -1,-0.2 0.905 135.0 51.5 -68.3 -42.2 -20.6 -10.9 34.4 13 13 A I H > S+ 0 0 1 -3,-0.5 4,-2.4 1,-0.2 -1,-0.2 0.847 107.1 53.9 -67.0 -35.0 -19.8 -14.6 34.4 14 14 A A H X S+ 0 0 0 -4,-1.3 4,-2.2 2,-0.2 -1,-0.2 0.898 111.8 45.6 -61.6 -41.8 -22.8 -15.4 36.7 15 15 A L H X S+ 0 0 0 -4,-1.5 4,-2.2 2,-0.2 -2,-0.2 0.880 110.1 54.9 -67.6 -40.9 -25.0 -13.6 34.1 16 16 A R H X S+ 0 0 8 -4,-2.6 4,-1.7 2,-0.2 -2,-0.2 0.921 111.6 44.1 -53.7 -47.8 -23.3 -15.4 31.3 17 17 A I H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.897 109.8 55.3 -69.0 -42.1 -24.1 -18.8 33.0 18 18 A L H X S+ 0 0 3 -4,-2.2 4,-2.8 2,-0.2 -1,-0.2 0.894 106.5 51.8 -56.7 -43.2 -27.7 -17.8 33.8 19 19 A R H X S+ 0 0 81 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.943 109.4 48.5 -60.9 -48.5 -28.3 -17.0 30.1 20 20 A A H X S+ 0 0 0 -4,-1.7 4,-1.6 1,-0.2 -1,-0.2 0.899 112.8 49.6 -56.2 -43.5 -27.0 -20.4 29.0 21 21 A C H X>S+ 0 0 0 -4,-2.3 5,-2.8 2,-0.2 4,-0.7 0.930 109.9 49.9 -61.4 -49.0 -29.2 -22.0 31.6 22 22 A K H ><5S+ 0 0 134 -4,-2.8 3,-1.0 1,-0.2 -2,-0.2 0.905 108.9 53.0 -56.8 -45.4 -32.3 -20.1 30.5 23 23 A E H 3<5S+ 0 0 117 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.860 112.9 44.0 -56.2 -39.4 -31.7 -21.1 26.8 24 24 A L H 3<5S- 0 0 43 -4,-1.6 -1,-0.2 -3,-0.2 -2,-0.2 0.453 116.3-111.8 -88.9 -2.7 -31.5 -24.7 27.8 25 25 A G T <<5 + 0 0 48 -3,-1.0 2,-0.5 -4,-0.7 -3,-0.2 0.651 65.8 151.0 80.4 17.9 -34.6 -24.6 30.1 26 26 A I < - 0 0 5 -5,-2.8 -1,-0.3 -6,-0.2 -22,-0.2 -0.710 47.1-123.0 -89.7 126.5 -32.4 -25.1 33.2 27 27 A K E -a 4 0A 83 -24,-2.4 -22,-2.3 -2,-0.5 2,-0.4 -0.393 29.3-142.5 -65.4 142.7 -33.7 -23.6 36.5 28 28 A T E -a 5 0A 1 -24,-0.2 19,-1.5 -2,-0.1 2,-0.5 -0.870 17.1-166.4-115.1 143.1 -31.3 -21.2 38.1 29 29 A V E -ac 6 47A 0 -24,-2.0 -22,-2.6 -2,-0.4 2,-0.9 -0.981 13.9-154.1-122.4 113.4 -30.4 -20.5 41.8 30 30 A A E -ac 7 48A 0 17,-3.1 19,-2.2 -2,-0.5 2,-0.4 -0.810 7.4-165.9 -89.4 105.2 -28.3 -17.3 42.3 31 31 A V E + c 0 49A 0 -2,-0.9 -22,-0.4 -24,-0.9 2,-0.3 -0.775 23.1 166.4 -84.7 133.4 -26.3 -17.6 45.5 32 32 A H E - c 0 50A 5 17,-2.1 19,-1.9 -2,-0.4 20,-0.7 -0.982 37.7-109.4-149.0 157.1 -25.0 -14.2 46.4 33 33 A S E > - c 0 52A 0 -2,-0.3 3,-1.7 17,-0.2 21,-0.1 -0.379 43.3-104.7 -77.4 165.5 -23.4 -12.1 49.2 34 34 A S G > S+ 0 0 51 18,-2.0 3,-0.6 1,-0.3 -1,-0.1 0.696 122.6 58.1 -66.0 -20.8 -25.4 -9.4 51.0 35 35 A A G 3 S+ 0 0 35 1,-0.2 -1,-0.3 2,-0.1 3,-0.2 0.475 102.3 56.8 -83.8 -3.6 -23.5 -6.8 49.0 36 36 A D G X + 0 0 1 -3,-1.7 3,-1.4 1,-0.1 -1,-0.2 0.037 63.2 115.8-118.8 23.7 -24.7 -8.4 45.7 37 37 A R T < S+ 0 0 130 -3,-0.6 -1,-0.1 1,-0.2 -2,-0.1 0.774 79.6 50.8 -63.4 -26.6 -28.5 -8.3 46.0 38 38 A D T 3 S+ 0 0 100 -3,-0.2 -1,-0.2 337,-0.1 -2,-0.1 0.253 76.7 131.9 -99.9 8.8 -28.8 -5.9 43.1 39 39 A L <> - 0 0 0 -3,-1.4 4,-2.3 1,-0.1 5,-0.2 -0.388 65.0-124.1 -56.4 138.3 -26.7 -7.9 40.6 40 40 A K H > S+ 0 0 72 329,-0.4 4,-1.4 1,-0.2 5,-0.2 0.896 110.4 48.7 -52.6 -46.5 -28.5 -8.3 37.2 41 41 A H H > S+ 0 0 0 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.852 108.5 53.6 -69.7 -33.6 -28.3 -12.1 37.3 42 42 A V H 4 S+ 0 0 9 1,-0.2 3,-0.4 2,-0.2 -1,-0.2 0.936 109.5 49.1 -61.5 -46.1 -29.6 -12.2 40.8 43 43 A L H < S+ 0 0 113 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.766 117.0 41.9 -64.3 -27.1 -32.6 -10.1 39.7 44 44 A L H < S+ 0 0 90 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.616 91.6 109.6 -93.4 -16.0 -33.2 -12.4 36.7 45 45 A A S < S- 0 0 17 -4,-1.4 3,-0.1 -3,-0.4 -16,-0.1 -0.206 70.7-131.3 -66.8 153.3 -32.7 -15.7 38.5 46 46 A D S S+ 0 0 96 -18,-0.2 2,-0.3 1,-0.2 -17,-0.2 0.868 93.7 12.6 -70.7 -38.3 -35.5 -18.2 39.2 47 47 A E E -c 29 0A 74 -19,-1.5 -17,-3.1 2,-0.0 2,-0.3 -0.978 69.6-161.5-136.7 152.0 -34.4 -18.5 42.9 48 48 A T E -c 30 0A 75 -2,-0.3 2,-0.4 -19,-0.2 -17,-0.2 -0.987 4.4-172.5-134.4 142.6 -32.0 -16.6 45.0 49 49 A V E -c 31 0A 37 -19,-2.2 -17,-2.1 -2,-0.3 2,-0.9 -0.978 21.1-140.0-134.8 121.4 -30.2 -17.4 48.3 50 50 A C E -c 32 0A 50 -2,-0.4 -17,-0.2 -19,-0.2 -19,-0.1 -0.733 20.5-174.5 -78.8 109.5 -28.1 -14.9 50.3 51 51 A I E - 0 0 16 -19,-1.9 -18,-0.2 -2,-0.9 -1,-0.1 0.486 51.9 -57.5 -89.9 -4.2 -25.2 -17.1 51.4 52 52 A G E S-c 33 0A 19 -20,-0.7 -18,-2.0 13,-0.0 -1,-0.2 -0.947 71.1 -36.4 155.7-171.7 -23.5 -14.5 53.6 53 53 A P - 0 0 51 0, 0.0 5,-0.1 0, 0.0 -2,-0.0 -0.081 67.2 -86.4 -76.6 177.8 -21.9 -11.1 54.0 54 54 A A S S+ 0 0 7 -21,-0.1 6,-0.2 706,-0.1 5,-0.1 0.839 97.8 93.4 -56.6 -44.5 -19.7 -9.2 51.5 55 55 A P S >> S- 0 0 12 0, 0.0 3,-1.5 0, 0.0 4,-0.5 -0.319 77.9-133.8 -58.4 131.2 -16.3 -10.8 52.4 56 56 A S G >4>S+ 0 0 17 1,-0.3 5,-3.1 2,-0.2 3,-0.9 0.780 97.9 71.6 -62.1 -29.1 -15.7 -13.7 50.1 57 57 A V G 345S+ 0 0 21 488,-2.5 -1,-0.3 1,-0.3 489,-0.1 0.850 111.1 31.8 -55.0 -34.1 -14.6 -16.1 52.9 58 58 A K G <45S+ 0 0 69 -3,-1.5 -1,-0.3 487,-0.3 -2,-0.2 0.384 134.3 26.7-107.7 5.9 -18.2 -16.2 54.1 59 59 A S T X<5S+ 0 0 0 -3,-0.9 3,-1.9 -4,-0.5 -3,-0.2 0.407 128.5 15.8-122.6 -91.2 -19.9 -15.8 50.8 60 60 A Y T 3 5S+ 0 0 2 1,-0.3 25,-0.4 -6,-0.2 -3,-0.2 0.605 134.7 39.7 -75.3 -12.7 -18.3 -16.9 47.5 61 61 A L T 3 - 0 0 21 -3,-1.9 4,-2.0 -6,-0.4 5,-0.2 -0.629 43.0-176.4 -82.4 93.4 -18.0 -20.4 51.7 63 63 A I H > S+ 0 0 21 -2,-1.3 4,-2.3 1,-0.2 5,-0.2 0.923 79.0 47.1 -61.5 -51.2 -18.2 -24.1 50.8 64 64 A P H > S+ 0 0 86 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.887 113.0 49.6 -56.3 -41.9 -20.8 -25.2 53.5 65 65 A A H > S+ 0 0 21 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.864 112.0 47.3 -67.2 -38.4 -23.1 -22.3 52.6 66 66 A I H X S+ 0 0 0 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.926 113.3 47.8 -69.1 -45.5 -23.0 -22.9 48.9 67 67 A I H X S+ 0 0 8 -4,-2.3 4,-2.2 -5,-0.2 -2,-0.2 0.913 111.2 51.1 -63.8 -42.0 -23.6 -26.6 49.3 68 68 A S H X S+ 0 0 61 -4,-2.4 4,-3.6 2,-0.2 5,-0.2 0.890 106.0 55.8 -60.0 -41.5 -26.5 -25.9 51.7 69 69 A A H X S+ 0 0 2 -4,-1.9 4,-1.8 1,-0.2 -1,-0.2 0.901 109.2 46.7 -55.2 -44.1 -28.0 -23.6 49.1 70 70 A A H X>S+ 0 0 0 -4,-1.8 5,-2.3 2,-0.2 4,-0.8 0.882 114.1 48.8 -63.2 -41.2 -27.9 -26.5 46.6 71 71 A E H ><5S+ 0 0 109 -4,-2.2 3,-0.7 3,-0.2 -2,-0.2 0.951 111.4 47.2 -64.8 -51.0 -29.5 -28.7 49.3 72 72 A I H 3<5S+ 0 0 141 -4,-3.6 -1,-0.2 1,-0.2 -2,-0.2 0.840 118.0 41.6 -63.1 -34.6 -32.3 -26.3 50.2 73 73 A T H 3<5S- 0 0 18 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.546 107.4-122.9 -88.5 -8.6 -33.3 -25.6 46.6 74 74 A G T <<5 + 0 0 45 -4,-0.8 -3,-0.2 -3,-0.7 -4,-0.1 0.882 48.3 172.0 64.6 39.6 -32.9 -29.3 45.4 75 75 A A < - 0 0 7 -5,-2.3 -70,-0.2 -6,-0.2 -1,-0.2 -0.401 29.5-155.1 -74.3 155.6 -30.4 -28.3 42.8 76 76 A V S S+ 0 0 52 -72,-2.7 25,-3.0 1,-0.2 2,-0.3 0.630 70.8 23.7-104.9 -19.0 -28.6 -31.1 40.9 77 77 A A E -bd 5 101A 0 -73,-1.3 -71,-2.6 23,-0.2 2,-0.4 -0.953 58.3-143.5-147.7 162.5 -25.4 -29.2 39.9 78 78 A I E -bd 6 102A 0 23,-2.5 25,-2.6 -2,-0.3 -71,-0.2 -0.993 6.9-157.8-131.7 123.8 -23.1 -26.3 40.7 79 79 A H E -b 7 0A 1 -73,-2.6 -71,-2.4 -2,-0.4 25,-0.1 -0.913 4.1-170.7 -98.0 117.7 -21.3 -24.1 38.2 80 80 A P - 0 0 4 0, 0.0 6,-0.4 0, 0.0 5,-0.2 0.457 18.3-161.7 -87.4 -3.3 -18.3 -22.4 39.9 81 81 A G - 0 0 1 22,-0.2 211,-0.5 4,-0.1 2,-0.3 -0.335 46.4 -40.5 61.8-135.2 -17.6 -20.0 36.9 82 82 A Y S S+ 0 0 33 209,-0.1 3,-0.2 211,-0.0 211,-0.1 -0.861 108.7 10.9-123.0 162.2 -14.0 -18.7 37.1 83 83 A G S > S+ 0 0 36 -2,-0.3 3,-2.4 1,-0.2 4,-0.2 -0.271 101.5 58.8 65.4-161.7 -12.0 -17.5 40.1 84 84 A F T 3 S- 0 0 68 1,-0.3 3,-0.3 2,-0.1 -1,-0.2 -0.186 127.4 -14.7 46.3-114.8 -13.4 -18.2 43.6 85 85 A L T > S+ 0 0 7 -25,-0.4 3,-1.9 -77,-0.3 -1,-0.3 0.316 102.4 107.7-101.4 7.6 -13.8 -22.0 44.1 86 86 A S T < S+ 0 0 2 -3,-2.4 -1,-0.2 -6,-0.4 -2,-0.1 0.803 92.2 30.2 -60.9 -32.1 -13.5 -23.1 40.4 87 87 A E T 3 S+ 0 0 68 -3,-0.3 2,-0.8 -4,-0.2 -1,-0.3 -0.114 89.5 116.8-118.5 34.0 -10.1 -24.6 40.9 88 88 A N <> - 0 0 51 -3,-1.9 4,-2.1 1,-0.2 5,-0.1 -0.912 47.2-166.4 -98.9 106.2 -10.5 -25.6 44.5 89 89 A A H > S+ 0 0 10 -2,-0.8 4,-2.5 1,-0.2 5,-0.2 0.812 87.1 58.1 -66.3 -31.1 -10.3 -29.4 44.5 90 90 A N H > S+ 0 0 87 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.918 107.6 47.8 -62.2 -42.8 -11.6 -29.6 48.0 91 91 A F H > S+ 0 0 0 2,-0.2 4,-2.9 1,-0.2 -2,-0.2 0.954 111.0 50.0 -60.4 -51.0 -14.8 -27.8 46.8 92 92 A A H X S+ 0 0 0 -4,-2.1 4,-2.3 -7,-0.2 -2,-0.2 0.924 113.4 47.0 -53.8 -50.9 -15.1 -30.1 43.8 93 93 A E H X S+ 0 0 43 -4,-2.5 4,-3.1 1,-0.2 5,-0.2 0.920 113.5 46.8 -52.2 -54.5 -14.8 -33.1 46.0 94 94 A Q H X S+ 0 0 78 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.859 109.8 54.5 -62.6 -37.4 -17.3 -31.9 48.6 95 95 A V H <>S+ 0 0 0 -4,-2.9 5,-2.3 2,-0.2 4,-0.3 0.959 114.6 39.9 -60.3 -50.3 -19.8 -30.9 45.9 96 96 A E H ><5S+ 0 0 77 -4,-2.3 3,-1.4 1,-0.2 -2,-0.2 0.917 115.3 51.0 -66.2 -45.0 -19.7 -34.4 44.5 97 97 A R H 3<5S+ 0 0 184 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.817 106.1 56.5 -61.4 -31.8 -19.6 -36.1 47.9 98 98 A S T 3<5S- 0 0 49 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.508 128.1 -98.5 -80.8 -5.1 -22.6 -34.0 49.0 99 99 A G T < 5S+ 0 0 62 -3,-1.4 2,-0.3 1,-0.3 -3,-0.2 0.645 83.3 117.2 102.9 20.2 -24.6 -35.4 46.0 100 100 A F < - 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0 0 11 -4,-1.6 2,-0.5 -5,-0.1 -50,-0.2 -0.493 52.5-173.5 -66.4 117.7 -20.0 2.8 25.4 409 410 A I E +R 357 0F 49 -52,-2.3 -52,-2.3 -2,-0.4 2,-0.3 -0.969 15.4 163.6-115.3 123.8 -21.0 5.2 28.1 410 411 A I E +R 356 0F 14 -2,-0.5 2,-0.3 -54,-0.2 3,-0.2 -0.816 16.1 174.7-137.5 95.4 -20.3 4.5 31.8 411 412 A D E +R 355 0F 61 -56,-2.7 -57,-1.5 -2,-0.3 -56,-0.9 -0.716 53.0 45.6-101.5 153.5 -20.6 7.6 33.9 412 413 A G S S+ 0 0 52 -2,-0.3 2,-0.3 -59,-0.3 -60,-0.2 0.079 108.4 52.2 105.9 -22.3 -20.4 8.0 37.7 413 414 A I S S- 0 0 17 -3,-0.2 2,-0.3 -62,-0.1 -1,-0.2 -0.922 88.6-102.1-135.3 161.9 -17.3 5.8 38.1 414 415 A K + 0 0 104 -2,-0.3 -73,-0.3 -64,-0.2 2,-0.3 -0.670 43.4 178.6 -83.0 140.5 -13.8 5.7 36.6 415 416 A T - 0 0 23 -2,-0.3 3,-0.4 -75,-0.2 -75,-0.2 -0.894 41.1-118.3-135.7 170.8 -13.2 3.1 33.9 416 417 A N S > S+ 0 0 0 -77,-1.1 4,-2.0 -2,-0.3 5,-0.2 0.083 77.6 112.8 -94.0 21.4 -10.4 1.9 31.6 417 418 A V H > S+ 0 0 12 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.911 75.7 51.4 -61.3 -43.9 -12.5 2.7 28.4 418 419 A D H > S+ 0 0 114 -3,-0.4 4,-1.8 1,-0.2 -1,-0.2 0.873 109.6 51.1 -63.3 -36.8 -10.1 5.5 27.3 419 420 A L H > S+ 0 0 4 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.895 107.4 52.3 -64.1 -42.7 -7.2 3.1 27.7 420 421 A Q H X S+ 0 0 0 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.877 107.0 53.5 -63.0 -37.5 -8.9 0.5 25.6 421 422 A I H X S+ 0 0 25 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.913 108.6 50.1 -59.9 -43.5 -9.4 3.1 22.9 422 423 A R H < S+ 0 0 113 -4,-1.8 4,-0.4 2,-0.2 -2,-0.2 0.892 110.3 49.1 -62.5 -41.8 -5.6 3.9 23.0 423 424 A I H >< S+ 0 0 1 -4,-2.2 3,-1.2 2,-0.2 -2,-0.2 0.918 109.5 51.4 -65.9 -43.1 -4.7 0.2 22.7 424 425 A M H 3< S+ 0 0 0 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.874 113.0 46.7 -60.1 -38.0 -7.1 -0.2 19.7 425 426 A N T 3< S+ 0 0 83 -4,-1.8 2,-0.3 -5,-0.2 -1,-0.3 0.451 85.5 117.7 -82.6 -2.1 -5.4 2.8 18.1 426 427 A D <> - 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0 0 12 -4,-1.6 2,-0.4 -5,-0.1 -50,-0.2 -0.483 53.6-173.5 -64.6 122.3 1.3 5.6 88.2 853 410 B I E +J 801 0N 45 -52,-2.3 -52,-2.4 -2,-0.3 2,-0.3 -0.995 14.9 164.2-119.8 125.7 2.6 2.7 90.3 854 411 B I E +J 800 0N 13 -2,-0.4 2,-0.3 -54,-0.2 -54,-0.2 -0.856 15.3 174.5-139.0 101.4 4.2 -0.3 88.6 855 412 B D E +J 799 0N 63 -56,-2.6 -57,-1.8 -2,-0.3 -56,-0.8 -0.731 52.6 47.5-108.9 157.8 6.2 -2.5 91.1 856 413 B G S S+ 0 0 53 -2,-0.3 2,-0.3 -59,-0.3 -60,-0.2 0.110 107.6 55.3 100.4 -19.5 8.0 -5.8 90.7 857 414 B I S S- 0 0 19 -3,-0.2 2,-0.3 -62,-0.1 -1,-0.2 -0.950 87.8-104.5-138.3 159.6 9.7 -4.8 87.4 858 415 B K + 0 0 111 -2,-0.3 -73,-0.5 -64,-0.1 2,-0.3 -0.649 44.2 178.7 -81.8 138.3 12.0 -1.9 86.3 859 416 B T B -G 784 0K 32 -2,-0.3 3,-0.4 -75,-0.3 -75,-0.2 -0.890 41.5-119.9-134.3 169.9 10.3 0.8 84.2 860 417 B N S > S+ 0 0 5 -77,-1.4 4,-2.4 -2,-0.3 5,-0.2 0.143 78.1 111.9 -89.9 16.2 11.1 4.0 82.4 861 418 B V H > S+ 0 0 12 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.912 77.1 49.4 -59.5 -43.6 8.5 6.0 84.5 862 419 B D H > S+ 0 0 122 -3,-0.4 4,-1.5 1,-0.2 -1,-0.2 0.839 110.1 52.2 -65.5 -33.8 11.2 8.0 86.4 863 420 B L H > S+ 0 0 20 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.917 107.2 51.8 -63.5 -45.8 12.8 8.8 83.0 864 421 B Q H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.872 107.2 53.3 -60.9 -37.8 9.4 10.1 81.6 865 422 B I H X S+ 0 0 22 -4,-2.0 4,-1.5 2,-0.2 -1,-0.2 0.883 108.1 51.1 -61.6 -39.7 9.1 12.3 84.7 866 423 B R H < S+ 0 0 130 -4,-1.5 4,-0.3 2,-0.2 -2,-0.2 0.901 109.7 49.5 -64.1 -41.8 12.5 13.8 84.0 867 424 B I H >< S+ 0 0 1 -4,-2.2 3,-1.5 1,-0.2 -2,-0.2 0.926 108.6 51.8 -64.1 -46.4 11.6 14.5 80.4 868 425 B M H 3< S+ 0 0 0 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.851 112.6 47.7 -57.6 -33.5 8.3 16.2 81.4 869 426 B N T 3< S+ 0 0 82 -4,-1.5 2,-0.3 -5,-0.2 -1,-0.3 0.396 83.4 116.4 -89.7 1.8 10.4 18.4 83.8 870 427 B D <> - 0 0 8 -3,-1.5 4,-2.4 -4,-0.3 5,-0.2 -0.588 62.4-143.9 -74.7 128.1 13.0 19.2 81.2 871 428 B E H > S+ 0 0 150 -2,-0.3 4,-1.4 1,-0.2 -1,-0.1 0.799 99.0 51.3 -68.2 -29.7 13.0 23.0 80.5 872 429 B N H > S+ 0 0 69 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.913 110.6 48.0 -73.0 -43.2 13.7 22.6 76.8 873 430 B F H 4 S+ 0 0 3 2,-0.2 -2,-0.2 1,-0.2 -1,-0.2 0.921 109.9 53.8 -57.0 -44.5 10.9 20.1 76.4 874 431 B Q H < S+ 0 0 63 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.830 109.2 47.5 -64.5 -32.3 8.6 22.5 78.3 875 432 B H H < S- 0 0 163 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.878 112.6-141.9 -68.3 -40.8 9.5 25.2 75.8 876 433 B G < + 0 0 10 -4,-2.3 -2,-0.1 -5,-0.1 -1,-0.1 -0.013 66.6 78.0 97.6 157.5 8.9 22.8 73.0 877 434 B G + 0 0 30 1,-0.2 -4,-0.1 -4,-0.1 -3,-0.1 0.673 52.2 165.9 83.2 21.4 10.4 22.0 69.6 878 435 B T - 0 0 20 -6,-0.2 -1,-0.2 -5,-0.1 -204,-0.2 -0.333 34.9-113.9 -65.8 150.0 13.5 20.0 70.7 879 436 B N > - 0 0 36 -228,-0.1 3,-1.7 1,-0.1 4,-0.4 -0.208 28.0 -92.8 -87.2 175.7 15.2 18.1 67.9 880 437 B I T 3 S+ 0 0 22 -230,-2.3 -204,-0.2 1,-0.3 4,-0.2 0.599 123.5 49.1 -64.0 -13.8 15.6 14.4 67.2 881 438 B H T 3> S+ 0 0 43 -231,-0.2 4,-1.4 -233,-0.1 -1,-0.3 0.419 83.6 95.2-103.3 -0.5 19.0 14.2 69.0 882 439 B Y H <> S+ 0 0 32 -3,-1.7 4,-2.6 1,-0.2 5,-0.2 0.890 78.7 52.5 -62.2 -44.8 17.9 16.0 72.2 883 440 B L H > S+ 0 0 0 -4,-0.4 4,-2.3 -209,-0.3 -1,-0.2 0.912 109.9 46.9 -63.4 -44.6 17.1 13.0 74.5 884 441 B E H >>S+ 0 0 49 -208,-0.4 5,-2.8 2,-0.2 4,-0.8 0.813 112.2 51.8 -69.6 -29.7 20.4 11.2 74.0 885 442 B K H ><5S+ 0 0 147 -4,-1.4 3,-0.6 3,-0.2 -2,-0.2 0.934 110.2 49.1 -64.3 -49.4 22.3 14.4 74.6 886 443 B K H 3<5S+ 0 0 71 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.896 115.7 43.5 -55.2 -43.1 20.3 15.0 77.8 887 444 B L H 3<5S- 0 0 35 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.594 112.2-116.5 -82.8 -11.4 21.1 11.4 78.9 888 445 B G T <<5 0 0 67 -4,-0.8 -3,-0.2 -3,-0.6 -4,-0.1 0.767 360.0 360.0 76.4 26.2 24.8 11.4 77.9 889 446 B L < 0 0 109 -5,-2.8 -1,-0.2 -6,-0.2 -212,-0.0 -0.098 360.0 360.0-100.9 360.0 24.2 8.7 75.3