==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 18-APR-06 2GPW . COMPND 2 MOLECULE: BIOTIN CARBOXYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR Y.SHEN,C.Y.CHOU,G.G.CHANG,L.TONG . 1780 10 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 69033.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1234 69.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 80 4.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 311 17.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 5 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 11 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 . 4 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 . 147 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 133 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 488 27.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 32 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 10 1 0 11 9 1 11 1 3 5 1 1 2 3 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 4 4 5 3 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 . 10 5 6 10 7 4 4 4 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 8 0 4 4 0 0 1 3 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 -3 A R 0 0 208 0, 0.0 4,-0.1 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 113.2 -0.1 -60.0 62.0 2 -2 A G + 0 0 73 2,-0.2 3,-0.2 5,-0.0 4,-0.0 0.276 360.0 101.0 152.2 72.0 -1.0 -57.6 64.9 3 -1 A S S S- 0 0 73 1,-0.8 2,-0.3 26,-0.0 27,-0.1 0.271 115.4 -13.4-131.9 -23.7 -2.8 -54.3 64.5 4 0 A H S S- 0 0 24 25,-0.1 -1,-0.8 1,-0.1 -2,-0.2 -0.829 75.7-113.6-173.9 143.6 -5.9 -56.1 65.7 5 1 A M S S+ 0 0 112 1,-0.3 2,-2.4 -2,-0.3 3,-0.2 0.918 117.2 60.0 -56.8 -42.3 -6.2 -59.9 65.9 6 2 A L S S+ 0 0 0 1,-0.2 -1,-0.3 307,-0.1 3,-0.1 -0.473 72.9 164.0 -82.7 67.1 -8.8 -59.8 63.2 7 3 A D + 0 0 12 -2,-2.4 24,-3.0 -3,-0.2 2,-0.4 0.689 63.9 28.4 -62.2 -22.7 -6.2 -58.3 60.9 8 4 A K E S-a 31 0A 38 -3,-0.2 72,-2.4 22,-0.2 73,-1.1 -0.976 73.3-171.6-143.4 129.2 -8.1 -59.1 57.7 9 5 A I E -ab 32 81A 0 22,-2.8 24,-2.3 -2,-0.4 2,-0.5 -0.968 20.4-138.8-130.4 139.2 -11.9 -59.3 57.4 10 6 A V E -ab 33 82A 0 71,-2.5 73,-2.6 -2,-0.4 2,-1.1 -0.801 16.7-149.3 -90.2 123.6 -14.3 -60.4 54.7 11 7 A I E -ab 34 83A 0 22,-2.5 2,-2.2 -2,-0.5 24,-0.7 -0.791 9.4-164.4 -96.0 92.2 -17.4 -58.1 54.6 12 8 A A + 0 0 7 71,-1.6 77,-0.3 -2,-1.1 2,-0.3 -0.439 60.0 57.0 -79.0 69.3 -20.1 -60.5 53.4 13 9 A N - 0 0 3 -2,-2.2 2,-0.2 22,-0.3 72,-0.1 -0.924 65.1-135.5-169.9-168.4 -22.6 -57.8 52.4 14 10 A R > + 0 0 13 -2,-0.3 4,-1.6 22,-0.1 3,-0.5 -0.799 53.6 33.0-150.3-170.9 -23.2 -54.7 50.2 15 11 A G H > S- 0 0 4 -2,-0.2 4,-1.5 1,-0.2 30,-0.2 -0.096 114.0 -18.2 54.6-145.0 -24.5 -51.2 50.0 16 12 A E H > S+ 0 0 4 368,-0.3 4,-2.9 1,-0.2 -1,-0.2 0.867 134.9 54.6 -64.9 -39.6 -24.4 -48.9 53.0 17 13 A I H > S+ 0 0 1 -3,-0.5 4,-2.5 1,-0.2 -1,-0.2 0.885 106.9 51.9 -64.3 -37.9 -23.9 -51.6 55.7 18 14 A A H X S+ 0 0 0 -4,-1.6 4,-2.5 2,-0.2 -1,-0.2 0.898 112.5 45.4 -63.8 -41.8 -20.8 -52.9 53.9 19 15 A L H X S+ 0 0 1 -4,-1.5 4,-2.8 2,-0.2 5,-0.2 0.929 110.3 54.8 -65.9 -46.0 -19.3 -49.4 53.7 20 16 A R H X S+ 0 0 3 -4,-2.9 4,-1.8 1,-0.2 -2,-0.2 0.930 112.3 43.8 -51.9 -48.8 -20.2 -48.8 57.4 21 17 A I H X S+ 0 0 0 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.903 109.6 56.1 -65.2 -42.6 -18.3 -52.0 58.3 22 18 A L H X S+ 0 0 1 -4,-2.5 4,-2.8 1,-0.2 5,-0.2 0.941 107.4 49.6 -55.5 -49.0 -15.4 -51.1 56.0 23 19 A R H X S+ 0 0 13 -4,-2.8 4,-2.6 1,-0.2 -1,-0.2 0.920 107.9 52.3 -56.9 -46.5 -15.0 -47.8 57.8 24 20 A A H X S+ 0 0 0 -4,-1.8 4,-1.1 -5,-0.2 -1,-0.2 0.880 111.7 49.3 -57.7 -36.9 -15.0 -49.5 61.2 25 21 A C H <>S+ 0 0 0 -4,-2.1 5,-2.7 2,-0.2 3,-0.5 0.934 108.8 49.5 -67.8 -49.5 -12.3 -51.8 59.9 26 22 A K H ><5S+ 0 0 43 -4,-2.8 3,-1.6 1,-0.2 -2,-0.2 0.908 105.7 58.9 -57.9 -41.0 -10.1 -49.0 58.5 27 23 A E H 3<5S+ 0 0 22 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.880 110.4 42.5 -54.2 -40.1 -10.3 -47.2 61.8 28 24 A L T 3<5S- 0 0 35 -4,-1.1 -1,-0.3 -3,-0.5 -2,-0.2 0.364 118.7-108.0 -90.6 3.8 -8.8 -50.2 63.5 29 25 A G T < 5 + 0 0 34 -3,-1.6 2,-0.4 -4,-0.4 -3,-0.2 0.672 67.3 153.5 78.0 18.3 -6.2 -50.8 60.9 30 26 A I < - 0 0 4 -5,-2.7 -1,-0.3 -6,-0.2 2,-0.2 -0.656 45.1-123.6 -85.5 130.5 -8.0 -53.9 59.7 31 27 A K E -a 8 0A 92 -24,-3.0 -22,-2.8 -2,-0.4 2,-0.4 -0.517 28.7-137.9 -72.8 137.8 -7.5 -55.0 56.0 32 28 A T E -a 9 0A 0 -2,-0.2 19,-1.6 -24,-0.2 2,-0.5 -0.789 18.5-169.8-105.6 139.1 -10.7 -55.3 54.1 33 29 A V E -ac 10 51A 0 -24,-2.3 -22,-2.5 -2,-0.4 2,-0.8 -0.972 12.6-161.7-122.8 111.9 -11.9 -58.0 51.6 34 30 A A E -ac 11 52A 0 17,-2.6 19,-2.1 -2,-0.5 2,-0.3 -0.841 1.7-163.7-100.3 106.5 -15.1 -56.9 49.8 35 31 A V E + c 0 53A 0 -2,-0.8 -22,-0.3 -24,-0.7 2,-0.3 -0.681 22.2 169.3 -85.0 141.9 -16.9 -59.8 48.2 36 32 A H E - c 0 54A 10 17,-2.2 19,-2.6 -2,-0.3 20,-0.5 -0.990 35.9-109.2-152.9 159.6 -19.4 -58.6 45.6 37 33 A S E > - c 0 56A 0 -2,-0.3 3,-1.5 17,-0.2 21,-0.1 -0.360 45.8-101.8 -80.4 168.4 -21.7 -59.7 42.8 38 34 A S T 3 S+ 0 0 71 18,-1.8 3,-0.4 1,-0.3 -1,-0.1 0.626 123.0 57.4 -68.1 -11.0 -20.9 -58.8 39.2 39 35 A A T 3 S+ 0 0 38 1,-0.2 -1,-0.3 2,-0.1 3,-0.2 0.498 101.7 54.9 -96.2 -5.3 -23.4 -56.0 39.4 40 36 A D X + 0 0 2 -3,-1.5 3,-1.7 1,-0.1 -1,-0.2 0.041 63.2 116.1-116.0 23.7 -21.8 -54.3 42.4 41 37 A R T 3 S+ 0 0 173 -3,-0.4 -1,-0.1 1,-0.3 -2,-0.1 0.721 80.3 52.4 -65.1 -19.1 -18.3 -53.8 41.1 42 38 A D T 3 S+ 0 0 91 -3,-0.2 -1,-0.3 334,-0.1 -2,-0.1 0.228 76.2 131.9-102.1 13.3 -18.9 -50.1 41.4 43 39 A L <> - 0 0 0 -3,-1.7 4,-2.3 1,-0.1 5,-0.2 -0.403 64.8-123.2 -64.0 142.3 -20.1 -50.0 45.0 44 40 A K T 4 S+ 0 0 25 326,-0.4 4,-0.5 1,-0.2 -1,-0.1 0.884 111.4 47.3 -55.5 -44.8 -18.4 -47.3 47.0 45 41 A H T >> S+ 0 0 0 1,-0.2 4,-1.7 2,-0.2 3,-0.9 0.879 109.0 54.6 -68.0 -35.6 -17.0 -49.7 49.6 46 42 A V T 34 S+ 0 0 6 1,-0.3 3,-0.4 2,-0.2 -2,-0.2 0.929 107.1 51.1 -61.2 -43.2 -15.8 -52.1 46.9 47 43 A L T 3< S+ 0 0 101 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.597 116.9 41.8 -69.1 -10.5 -13.8 -49.2 45.3 48 44 A L T <4 S+ 0 0 40 -3,-0.9 -1,-0.2 -4,-0.5 -2,-0.2 0.563 90.2 106.5-111.1 -15.7 -12.3 -48.5 48.8 49 45 A A S < S- 0 0 16 -4,-1.7 -16,-0.1 -3,-0.4 3,-0.1 -0.261 72.8-127.1 -66.7 153.5 -11.6 -52.0 50.0 50 46 A D S S+ 0 0 100 -18,-0.3 2,-0.3 1,-0.2 -17,-0.2 0.829 95.6 14.2 -68.9 -34.0 -8.0 -53.4 50.1 51 47 A E E S-c 33 0A 70 -19,-1.6 -17,-2.6 2,-0.0 2,-0.4 -0.981 70.2-156.6-140.1 147.8 -9.0 -56.4 48.1 52 48 A T E -c 34 0A 74 -2,-0.3 2,-0.4 -19,-0.2 -17,-0.2 -0.987 7.2-172.4-129.7 140.1 -12.1 -57.2 46.1 53 49 A V E -c 35 0A 25 -19,-2.1 -17,-2.2 -2,-0.4 2,-0.5 -0.980 19.0-138.8-136.4 120.5 -13.5 -60.6 45.2 54 50 A C E -c 36 0A 74 -2,-0.4 -17,-0.2 -19,-0.2 -19,-0.1 -0.664 18.1-176.2 -78.9 125.2 -16.3 -61.3 42.8 55 51 A I E - 0 0 10 -19,-2.6 -18,-0.2 -2,-0.5 14,-0.1 0.288 54.2 -53.3-107.7 10.8 -18.5 -64.1 44.2 56 52 A G E S-c 37 0A 19 -20,-0.5 -18,-1.8 13,-0.1 -1,-0.3 -0.844 73.7 -40.4 145.3 178.5 -21.0 -64.6 41.4 57 53 A P S S- 0 0 60 0, 0.0 5,-0.2 0, 0.0 -2,-0.0 -0.248 71.2 -83.3 -73.1 165.7 -23.6 -63.0 39.1 58 54 A A S S+ 0 0 7 -21,-0.1 6,-0.2 5,-0.1 5,-0.1 0.775 97.2 99.9 -34.8 -54.0 -26.0 -60.2 40.1 59 55 A P S >> S- 0 0 52 0, 0.0 3,-0.8 0, 0.0 4,-0.7 -0.103 71.4-138.9 -43.8 130.5 -28.7 -62.5 41.6 60 56 A S G >4>S+ 0 0 26 320,-0.3 5,-1.9 1,-0.2 3,-1.7 0.933 102.0 59.1 -58.9 -48.3 -28.5 -62.6 45.4 61 57 A V G 345S+ 0 0 108 1,-0.3 -1,-0.2 3,-0.2 -3,-0.1 0.765 112.7 41.6 -53.2 -26.2 -29.1 -66.4 45.5 62 58 A K G <45S+ 0 0 125 -3,-0.8 -1,-0.3 -5,-0.2 -2,-0.2 0.500 132.1 15.4 -99.8 -7.1 -26.0 -66.8 43.3 63 59 A S T X<5S+ 0 0 0 -3,-1.7 3,-3.0 -4,-0.7 7,-0.2 0.466 126.9 29.8-126.0 -89.4 -23.8 -64.2 45.0 64 60 A Y T 3 5S+ 0 0 3 1,-0.3 25,-0.4 -6,-0.2 -3,-0.2 0.558 128.9 43.8 -58.2 -8.4 -24.4 -62.7 48.5 65 61 A L T 3 - 0 0 44 -3,-3.0 4,-2.0 -6,-0.3 5,-0.2 -0.714 46.6-173.5 -85.8 96.3 -23.5 -68.2 47.9 67 63 A I H > S+ 0 0 20 -2,-1.2 4,-2.2 1,-0.2 5,-0.2 0.900 77.9 46.5 -61.1 -47.9 -21.9 -69.8 50.9 68 64 A P H > S+ 0 0 82 0, 0.0 4,-2.7 0, 0.0 -1,-0.2 0.900 112.6 50.6 -65.7 -36.2 -19.0 -71.6 49.3 69 65 A A H > S+ 0 0 25 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.918 111.4 48.8 -66.0 -40.8 -18.0 -68.6 47.2 70 66 A I H X S+ 0 0 0 -4,-2.0 4,-1.3 2,-0.2 -1,-0.2 0.898 114.5 43.9 -66.9 -40.4 -18.0 -66.4 50.3 71 67 A I H X S+ 0 0 8 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.904 111.7 53.5 -71.3 -39.0 -15.9 -68.8 52.4 72 68 A S H X S+ 0 0 54 -4,-2.7 4,-2.8 1,-0.2 5,-0.3 0.888 104.6 57.0 -60.6 -35.9 -13.5 -69.4 49.4 73 69 A A H X S+ 0 0 2 -4,-2.0 4,-0.8 1,-0.2 -1,-0.2 0.891 108.1 46.4 -60.9 -39.2 -13.1 -65.7 49.3 74 70 A A H <>S+ 0 0 0 -4,-1.3 5,-2.1 -3,-0.2 4,-0.5 0.848 113.3 51.1 -70.3 -34.8 -12.0 -65.8 52.9 75 71 A E H ><5S+ 0 0 104 -4,-2.2 3,-0.8 1,-0.2 -2,-0.2 0.916 107.4 48.2 -70.4 -47.1 -9.7 -68.7 52.1 76 72 A I H 3<5S+ 0 0 127 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.695 116.3 45.4 -69.7 -18.0 -7.8 -67.3 49.1 77 73 A T T 3<5S- 0 0 11 -4,-0.8 -1,-0.2 -5,-0.3 -2,-0.2 0.465 106.4-121.5-103.9 -3.6 -7.1 -64.0 50.9 78 74 A G T < 5 + 0 0 30 -3,-0.8 -3,-0.2 -4,-0.5 -4,-0.1 0.846 51.2 168.5 66.5 32.3 -6.0 -65.4 54.2 79 75 A A < - 0 0 4 -5,-2.1 -70,-0.2 -6,-0.2 -1,-0.1 -0.325 27.0-159.1 -71.9 160.5 -8.8 -63.6 56.0 80 76 A V + 0 0 34 -72,-2.4 25,-2.6 1,-0.3 2,-0.3 0.573 67.2 26.8-118.3 -13.7 -9.5 -64.5 59.7 81 77 A A E -bd 9 105A 0 -73,-1.1 -71,-2.5 23,-0.2 2,-0.4 -0.986 59.5-146.7-148.9 156.4 -13.0 -63.3 60.2 82 78 A I E -bd 10 106A 0 23,-2.8 25,-2.6 -2,-0.3 -71,-0.2 -0.990 4.2-158.5-129.8 128.1 -16.2 -62.6 58.4 83 79 A H E -b 11 0A 1 -73,-2.6 -71,-1.6 -2,-0.4 25,-0.1 -0.925 3.4-170.8-104.8 117.8 -18.8 -59.9 59.1 84 80 A P - 0 0 5 0, 0.0 6,-0.4 0, 0.0 5,-0.2 0.417 19.3-160.8 -87.0 1.8 -22.2 -60.7 57.6 85 81 A G - 0 0 2 22,-0.2 208,-0.5 4,-0.1 2,-0.3 -0.253 46.6 -37.3 53.7-137.4 -23.7 -57.3 58.4 86 82 A Y S S+ 0 0 22 206,-0.1 3,-0.1 208,-0.0 208,-0.1 -0.849 107.3 8.1-118.9 159.5 -27.5 -57.4 58.3 87 83 A G S > S+ 0 0 34 -2,-0.3 3,-2.8 1,-0.2 4,-0.2 -0.313 99.2 60.7 72.1-160.0 -29.9 -59.4 56.1 88 84 A F T 3 S- 0 0 71 1,-0.3 3,-0.4 2,-0.1 -1,-0.2 -0.121 128.0 -15.8 41.5-119.2 -28.6 -62.0 53.7 89 85 A L T > S+ 0 0 7 -25,-0.4 3,-1.9 -77,-0.3 -1,-0.3 0.341 104.0 108.5 -95.7 6.6 -26.8 -64.7 55.6 90 86 A S T < S+ 0 0 3 -3,-2.8 -1,-0.2 -6,-0.4 -2,-0.1 0.780 90.7 31.0 -55.3 -32.9 -26.4 -62.8 58.9 91 87 A E T 3 S+ 0 0 74 -3,-0.4 2,-0.7 -4,-0.2 -1,-0.3 -0.119 91.8 114.5-117.8 35.1 -29.0 -64.9 60.8 92 88 A N <> - 0 0 60 -3,-1.9 4,-1.6 1,-0.2 3,-0.2 -0.929 48.6-164.5-108.3 107.8 -28.4 -68.1 58.9 93 89 A A H > S+ 0 0 12 -2,-0.7 4,-3.0 1,-0.2 5,-0.3 0.924 85.6 59.5 -57.9 -50.4 -27.0 -70.7 61.3 94 90 A N H > S+ 0 0 76 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.871 106.3 49.2 -48.1 -43.4 -25.7 -73.0 58.5 95 91 A F H > S+ 0 0 0 -3,-0.2 4,-3.1 2,-0.2 -1,-0.2 0.922 112.1 46.9 -64.2 -45.5 -23.5 -70.3 57.2 96 92 A A H X S+ 0 0 0 -4,-1.6 4,-2.5 1,-0.2 5,-0.3 0.894 111.4 52.7 -63.1 -40.6 -22.1 -69.4 60.6 97 93 A E H X S+ 0 0 52 -4,-3.0 4,-2.0 2,-0.2 -1,-0.2 0.913 113.8 41.8 -63.1 -42.7 -21.5 -73.1 61.3 98 94 A Q H X S+ 0 0 61 -4,-2.2 4,-2.5 -5,-0.3 6,-0.2 0.935 111.3 55.8 -71.6 -44.1 -19.6 -73.5 58.0 99 95 A V H <>S+ 0 0 0 -4,-3.1 5,-2.3 1,-0.2 -2,-0.2 0.937 114.6 39.2 -51.2 -52.6 -17.7 -70.3 58.4 100 96 A E H ><5S+ 0 0 82 -4,-2.5 3,-1.7 1,-0.2 -1,-0.2 0.880 112.9 56.3 -67.2 -36.8 -16.3 -71.4 61.8 101 97 A R H 3<5S+ 0 0 179 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.821 102.5 56.1 -64.2 -31.2 -15.8 -74.9 60.6 102 98 A S T 3<5S- 0 0 50 -4,-2.5 -1,-0.3 -3,-0.2 -2,-0.2 0.442 128.9 -99.2 -79.7 -0.8 -13.6 -73.6 57.8 103 99 A G T < 5S+ 0 0 64 -3,-1.7 2,-0.3 1,-0.3 -3,-0.2 0.596 83.4 123.3 96.1 12.2 -11.5 -72.0 60.5 104 100 A F < - 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0 0 10 -3,-1.6 4,-2.6 -4,-0.3 5,-0.2 -0.567 57.2-150.9 -73.4 118.8 33.8 1.2 25.8 1770 428 D E H > S+ 0 0 151 -2,-0.5 4,-1.6 1,-0.2 5,-0.2 0.893 97.0 51.6 -53.9 -45.3 35.3 3.2 22.9 1771 429 D N H > S+ 0 0 84 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.901 110.7 47.2 -61.3 -42.4 36.0 0.0 21.0 1772 430 D F H 4 S+ 0 0 3 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.894 108.5 55.2 -66.8 -38.9 32.4 -1.2 21.3 1773 431 D Q H < S+ 0 0 58 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.825 110.7 45.5 -63.0 -31.6 31.1 2.3 20.3 1774 432 D H H < S- 0 0 161 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.884 109.7-150.7 -76.6 -39.9 33.1 2.0 17.2 1775 433 D G < + 0 0 9 -4,-2.4 -2,-0.1 -5,-0.2 -3,-0.1 0.008 61.9 89.0 89.7 161.0 31.9 -1.6 16.7 1776 434 D G + 0 0 35 1,-0.2 2,-0.1 -4,-0.1 -4,-0.1 0.640 50.6 160.0 88.2 15.8 33.3 -4.7 15.2 1777 435 D T - 0 0 20 -6,-0.2 -1,-0.2 -5,-0.1 -204,-0.1 -0.431 36.2-120.7 -71.1 145.6 35.1 -6.0 18.2 1778 436 D N > - 0 0 39 -228,-0.1 3,-1.5 -2,-0.1 4,-0.4 -0.255 26.9 -94.4 -84.1 174.2 36.0 -9.7 18.1 1779 437 D I T 3 S+ 0 0 31 -230,-2.5 -204,-0.2 1,-0.3 4,-0.2 0.557 121.4 53.8 -64.3 -10.6 35.0 -12.6 20.4 1780 438 D H T 3> S+ 0 0 72 -231,-0.2 4,-1.3 1,-0.1 -1,-0.3 0.564 85.6 89.9 -99.7 -10.3 38.1 -12.3 22.5 1781 439 D Y H <> S+ 0 0 41 -3,-1.5 4,-2.1 1,-0.2 3,-0.2 0.878 79.6 51.5 -52.4 -56.1 37.8 -8.6 23.2 1782 440 D L H > S+ 0 0 1 -4,-0.4 4,-1.9 -209,-0.3 6,-0.2 0.897 113.5 43.9 -54.9 -46.6 35.7 -8.6 26.5 1783 441 D E H > S+ 0 0 41 -208,-0.4 6,-1.5 -4,-0.2 4,-0.6 0.782 112.6 54.5 -70.0 -25.3 38.0 -11.0 28.3 1784 442 D K H < S+ 0 0 116 -4,-1.3 -2,-0.2 -3,-0.2 -1,-0.2 0.830 109.8 47.1 -74.0 -33.6 41.0 -9.1 27.0 1785 443 D K H < S+ 0 0 61 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.818 115.1 44.2 -76.8 -32.4 39.5 -5.9 28.4 1786 444 D L H < S- 0 0 32 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.532 104.4-129.5 -87.9 -8.5 38.8 -7.5 31.8 1787 445 D G S < S+ 0 0 51 -4,-0.6 -3,-0.2 -5,-0.2 -4,-0.1 0.406 75.6 124.7 74.1 -5.2 42.2 -9.2 31.8 1788 446 D L 0 0 57 -5,-0.3 -4,-0.2 -6,-0.2 -5,-0.1 0.531 360.0 360.0 -63.2 -7.4 40.2 -12.4 32.6 1789 447 D Q 0 0 144 -6,-1.5 -1,-0.2 -7,-0.1 -5,-0.1 0.946 360.0 360.0 -52.5 360.0 41.9 -14.0 29.6