==== 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 TRANSFERASE 11-JUL-06 2HMF . COMPND 2 MOLECULE: PROBABLE ASPARTOKINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: METHANOCALDOCOCCUS JANNASCHII; . AUTHOR C.R.FAEHNLE,R.E.VIOLA . 1860 12 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 69769.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1388 74.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 132 7.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 236 12.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 129 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 153 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 652 35.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 48 2.6 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 2 1 1 4 4 4 4 12 0 8 0 4 4 0 0 0 0 4 0 0 0 0 0 4 0 0 RESIDUES PER ALPHA HELIX . 4 0 8 4 12 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 0 20 4 4 0 4 0 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 4 0 0 0 4 0 0 0 0 2 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 2 A T 0 0 30 0, 0.0 222,-2.1 0, 0.0 223,-1.2 0.000 360.0 360.0 360.0 123.3 28.9 37.1 61.8 2 3 A T E -ab 34 224A 9 31,-3.1 33,-2.5 221,-0.2 2,-0.5 -0.976 360.0-164.3-125.9 122.9 31.3 34.2 61.7 3 4 A V E -ab 35 225A 0 221,-1.9 223,-3.2 -2,-0.5 2,-0.5 -0.934 11.7-166.7-104.1 129.5 30.7 30.6 62.7 4 5 A M E -ab 36 226A 0 31,-2.7 33,-2.8 -2,-0.5 2,-0.4 -0.975 1.4-163.7-121.0 123.2 33.8 28.5 63.1 5 6 A K E -ab 37 227A 7 221,-3.0 223,-2.9 -2,-0.5 2,-0.4 -0.910 1.4-161.8-110.8 133.8 33.7 24.8 63.4 6 7 A F E -ab 38 228A 0 31,-2.7 33,-2.5 -2,-0.4 223,-0.2 -0.960 12.6-141.3-119.9 127.6 36.6 22.6 64.7 7 8 A G > - 0 0 5 221,-1.9 4,-0.9 -2,-0.4 35,-0.2 -0.005 31.8 -87.1 -79.0-178.3 37.0 18.9 64.0 8 9 A G T >4 S+ 0 0 17 1,-0.2 34,-1.7 2,-0.2 3,-1.1 0.931 125.1 39.9 -54.0 -58.7 38.1 15.9 66.1 9 10 A T G >4 S+ 0 0 41 1,-0.3 3,-2.3 2,-0.2 -1,-0.2 0.865 106.0 67.2 -64.4 -35.5 41.9 16.1 65.4 10 11 A S G 34 S+ 0 0 1 1,-0.3 -1,-0.3 218,-0.2 10,-0.2 0.760 115.6 28.5 -55.0 -27.7 41.8 19.9 65.5 11 12 A V G << S+ 0 0 1 -3,-1.1 -1,-0.3 -4,-0.9 -2,-0.2 -0.081 83.6 129.5-121.6 33.6 41.0 19.5 69.3 12 13 A G S < S+ 0 0 13 -3,-2.3 2,-0.3 29,-0.2 -2,-0.1 0.497 76.2 13.0 -72.4 -6.4 42.8 16.2 69.7 13 14 A S S > S- 0 0 32 -4,-0.2 4,-2.3 -3,-0.1 5,-0.1 -0.963 83.4-100.0-157.2 167.3 44.8 17.4 72.7 14 15 A G H > S+ 0 0 1 -2,-0.3 4,-2.5 2,-0.2 5,-0.2 0.902 122.1 54.2 -56.9 -43.8 44.9 20.3 75.2 15 16 A E H > S+ 0 0 146 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.928 110.3 46.6 -56.0 -47.3 47.8 21.9 73.2 16 17 A R H > S+ 0 0 94 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.882 109.5 54.4 -63.7 -40.1 45.6 21.8 70.1 17 18 A I H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.909 109.1 47.7 -59.7 -45.7 42.6 23.2 72.0 18 19 A R H X S+ 0 0 36 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.910 111.3 51.3 -60.0 -43.6 44.6 26.1 73.2 19 20 A H H X S+ 0 0 70 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.907 111.2 47.8 -60.2 -43.6 45.9 26.6 69.6 20 21 A V H X S+ 0 0 0 -4,-2.8 4,-2.5 -10,-0.2 -2,-0.2 0.902 108.1 55.0 -61.7 -43.3 42.2 26.5 68.4 21 22 A A H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.880 107.2 51.0 -59.9 -39.4 41.2 29.0 71.1 22 23 A K H X S+ 0 0 108 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.900 107.9 52.0 -62.2 -43.6 43.9 31.4 69.8 23 24 A I H X S+ 0 0 17 -4,-1.8 4,-1.6 1,-0.2 3,-0.3 0.946 113.5 44.4 -57.3 -48.7 42.6 31.0 66.2 24 25 A V H X S+ 0 0 0 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.895 111.1 53.4 -61.7 -43.4 39.1 31.9 67.5 25 26 A T H < S+ 0 0 14 -4,-2.4 4,-0.4 1,-0.2 -1,-0.2 0.774 106.7 52.7 -67.8 -27.2 40.4 34.8 69.6 26 27 A K H >X S+ 0 0 110 -4,-1.8 3,-0.7 -3,-0.3 4,-0.5 0.851 107.9 51.0 -74.2 -38.0 42.1 36.3 66.6 27 28 A R H >X S+ 0 0 35 -4,-1.6 4,-3.1 1,-0.2 3,-1.2 0.844 97.7 68.0 -63.1 -37.6 38.9 36.2 64.6 28 29 A K H 3< S+ 0 0 8 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.757 98.4 52.6 -54.6 -27.7 37.1 38.0 67.4 29 30 A K H <4 S+ 0 0 158 -3,-0.7 -1,-0.3 -4,-0.4 -2,-0.2 0.705 113.7 41.2 -81.2 -23.8 39.3 41.0 66.5 30 31 A E H << S+ 0 0 124 -3,-1.2 2,-0.4 -4,-0.5 -2,-0.2 0.830 132.7 17.1 -89.3 -41.4 38.2 41.0 62.9 31 32 A D < - 0 0 37 -4,-3.1 -1,-0.4 1,-0.1 -29,-0.1 -0.992 64.2-156.6-134.3 125.7 34.5 40.2 63.5 32 33 A D S S+ 0 0 92 -2,-0.4 2,-1.0 1,-0.2 -4,-0.1 0.697 81.1 74.5 -77.8 -18.9 33.0 40.7 66.9 33 34 A D + 0 0 57 153,-0.0 -31,-3.1 2,-0.0 2,-0.5 -0.758 64.1 158.3 -97.8 92.2 30.2 38.2 66.3 34 35 A V E -a 2 0A 0 -2,-1.0 2,-0.4 -33,-0.2 -31,-0.2 -0.962 19.5-174.8-120.2 126.3 31.8 34.7 66.5 35 36 A V E -a 3 0A 0 -33,-2.5 -31,-2.7 -2,-0.5 2,-0.4 -0.975 14.4-149.5-116.0 131.9 30.1 31.4 67.2 36 37 A V E -ac 4 188A 0 151,-3.0 153,-3.4 -2,-0.4 2,-0.4 -0.804 8.6-166.7-101.7 140.6 32.2 28.2 67.7 37 38 A V E -ac 5 189A 0 -33,-2.8 -31,-2.7 -2,-0.4 2,-0.4 -0.997 16.0-170.3-119.0 130.3 31.1 24.7 66.8 38 39 A V E -ac 6 190A 0 151,-2.1 153,-2.3 -2,-0.4 -31,-0.2 -0.975 13.0-146.9-130.8 134.2 33.2 21.9 68.2 39 40 A S - 0 0 0 -33,-2.5 3,-0.1 -2,-0.4 2,-0.1 -0.336 41.6 -81.9 -80.3 170.5 33.4 18.2 67.7 40 41 A A - 0 0 2 1,-0.1 -29,-0.2 -2,-0.1 89,-0.2 -0.382 63.7 -81.2 -62.7 150.9 34.4 15.6 70.3 41 42 A M >> - 0 0 3 87,-0.4 3,-2.1 1,-0.2 4,-0.5 -0.229 69.3 -67.9 -53.3 143.4 38.1 15.2 70.8 42 43 A S T 34 S- 0 0 26 -34,-1.7 -1,-0.2 1,-0.3 -33,-0.0 0.009 116.0 -1.2 -27.8 124.6 39.9 12.9 68.4 43 44 A E T 3> S+ 0 0 123 -3,-0.2 4,-1.2 1,-0.1 -1,-0.3 0.319 100.0 104.6 76.2 -6.3 38.9 9.3 68.6 44 45 A V H <> S+ 0 0 0 -3,-2.1 4,-2.5 2,-0.2 5,-0.2 0.883 73.9 56.7 -79.5 -34.7 36.4 9.6 71.5 45 46 A T H X S+ 0 0 5 -4,-0.5 4,-2.4 1,-0.2 -1,-0.2 0.944 109.1 48.9 -58.6 -45.9 33.2 9.3 69.5 46 47 A N H > S+ 0 0 70 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.856 110.2 51.1 -56.5 -40.2 34.5 5.9 68.2 47 48 A A H X S+ 0 0 11 -4,-1.2 4,-2.1 2,-0.2 -1,-0.2 0.859 110.0 49.7 -67.5 -36.2 35.3 4.9 71.8 48 49 A L H X S+ 0 0 0 -4,-2.5 4,-1.7 2,-0.2 -2,-0.2 0.883 108.8 52.7 -70.2 -40.3 31.8 5.8 72.9 49 50 A V H X S+ 0 0 36 -4,-2.4 4,-1.5 1,-0.2 3,-0.3 0.976 113.6 43.2 -53.0 -56.2 30.3 3.7 70.0 50 51 A E H X S+ 0 0 111 -4,-2.3 4,-1.8 1,-0.3 -2,-0.2 0.801 111.2 51.7 -71.1 -31.6 32.3 0.7 71.0 51 52 A I H X S+ 0 0 4 -4,-2.1 4,-2.7 2,-0.2 -1,-0.3 0.833 105.9 58.5 -70.0 -30.4 31.7 0.9 74.7 52 53 A S H X S+ 0 0 0 -4,-1.7 4,-1.3 -3,-0.3 -2,-0.2 0.907 109.1 43.4 -59.5 -44.1 28.0 1.2 74.0 53 54 A Q H X S+ 0 0 89 -4,-1.5 4,-2.9 2,-0.2 5,-0.2 0.857 114.6 49.7 -73.5 -35.8 28.1 -2.2 72.2 54 55 A Q H X>S+ 0 0 41 -4,-1.8 5,-2.1 2,-0.2 4,-0.7 0.903 108.7 51.3 -69.2 -44.4 30.3 -3.8 74.9 55 56 A A H <5S+ 0 0 1 -4,-2.7 -1,-0.2 3,-0.2 -2,-0.2 0.849 116.7 42.9 -60.2 -36.0 28.0 -2.6 77.8 56 57 A L H <5S+ 0 0 37 -4,-1.3 -2,-0.2 -5,-0.2 -1,-0.2 0.969 124.2 30.7 -71.7 -57.3 25.1 -4.1 75.9 57 58 A D H <5S+ 0 0 105 -4,-2.9 -3,-0.2 1,-0.1 -2,-0.1 0.995 133.2 20.5 -74.5 -69.0 26.6 -7.4 74.7 58 59 A V T <5S- 0 0 100 -4,-0.7 -3,-0.2 -5,-0.2 -1,-0.1 0.820 84.3-153.0 -75.4 -31.7 29.2 -8.7 77.2 59 60 A R < + 0 0 117 -5,-2.1 2,-0.6 1,-0.2 -4,-0.2 0.729 27.4 167.6 68.1 28.8 27.8 -6.5 80.1 60 61 A D > - 0 0 82 -6,-0.4 4,-1.1 1,-0.1 3,-0.4 -0.654 24.5-162.5 -81.7 114.0 31.2 -6.2 82.0 61 62 A I H > S+ 0 0 97 -2,-0.6 4,-1.3 1,-0.2 -1,-0.1 0.763 89.8 50.3 -65.9 -31.0 31.0 -3.5 84.8 62 63 A A H > S+ 0 0 62 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.720 103.8 58.1 -83.7 -24.5 34.8 -3.2 85.1 63 64 A K H > S+ 0 0 86 -3,-0.4 4,-1.5 2,-0.2 -2,-0.2 0.791 106.4 50.4 -70.5 -31.8 35.3 -2.8 81.4 64 65 A V H X S+ 0 0 2 -4,-1.1 4,-2.6 2,-0.2 -2,-0.2 0.888 109.2 51.1 -66.6 -44.2 33.0 0.2 81.7 65 66 A G H X S+ 0 0 15 -4,-1.3 4,-1.6 2,-0.2 -2,-0.2 0.818 106.9 53.6 -64.0 -34.2 35.2 1.5 84.6 66 67 A D H X S+ 0 0 112 -4,-1.6 4,-1.9 2,-0.2 -1,-0.2 0.924 110.4 48.2 -63.1 -45.0 38.2 1.0 82.4 67 68 A F H X S+ 0 0 15 -4,-1.5 4,-2.4 2,-0.2 -2,-0.2 0.918 106.8 54.5 -61.0 -49.7 36.5 3.2 79.8 68 69 A I H X S+ 0 0 0 -4,-2.6 4,-2.9 1,-0.2 -1,-0.2 0.892 109.6 48.8 -52.4 -41.8 35.5 5.9 82.3 69 70 A K H X S+ 0 0 125 -4,-1.6 4,-2.8 2,-0.2 -1,-0.2 0.878 107.9 52.7 -71.5 -38.7 39.2 6.2 83.4 70 71 A F H X S+ 0 0 91 -4,-1.9 4,-1.5 2,-0.2 -1,-0.2 0.913 114.6 43.8 -57.1 -44.7 40.4 6.4 79.8 71 72 A I H X S+ 0 0 0 -4,-2.4 4,-2.0 2,-0.2 5,-0.2 0.905 113.5 50.7 -66.3 -44.2 37.9 9.3 79.2 72 73 A R H X S+ 0 0 64 -4,-2.9 4,-2.5 1,-0.2 5,-0.2 0.936 113.1 44.5 -60.9 -48.4 38.8 11.0 82.6 73 74 A E H X S+ 0 0 137 -4,-2.8 4,-1.6 1,-0.2 -1,-0.2 0.774 111.3 53.4 -70.8 -28.5 42.5 10.9 81.9 74 75 A K H X S+ 0 0 60 -4,-1.5 4,-1.1 -5,-0.2 -1,-0.2 0.899 116.5 37.8 -70.6 -40.5 42.2 12.2 78.3 75 76 A H H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.803 114.3 53.6 -84.1 -32.2 40.1 15.2 79.3 76 77 A Y H X S+ 0 0 68 -4,-2.5 4,-2.4 -5,-0.2 -3,-0.2 0.942 110.8 47.3 -62.5 -49.2 42.0 15.9 82.5 77 78 A K H X S+ 0 0 134 -4,-1.6 4,-1.6 1,-0.2 -2,-0.2 0.844 111.9 52.7 -60.7 -35.2 45.2 16.0 80.6 78 79 A A H X S+ 0 0 1 -4,-1.1 4,-1.1 2,-0.2 5,-0.2 0.932 108.3 48.2 -66.7 -48.6 43.5 18.2 78.0 79 80 A I H >X S+ 0 0 5 -4,-2.5 4,-1.9 1,-0.2 3,-0.6 0.930 113.1 50.1 -53.0 -48.5 42.3 20.7 80.7 80 81 A E H 3< S+ 0 0 111 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.824 115.6 40.8 -60.4 -37.0 45.8 20.8 82.1 81 82 A E H 3< S+ 0 0 95 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.513 118.9 44.0 -94.3 -6.3 47.5 21.5 78.8 82 83 A A H << S+ 0 0 1 -4,-1.1 2,-0.4 -3,-0.6 -2,-0.2 0.706 107.6 53.7-108.8 -28.1 44.9 24.0 77.4 83 84 A I < - 0 0 4 -4,-1.9 -1,-0.2 -5,-0.2 56,-0.1 -0.929 48.8-174.4-119.6 132.3 44.2 26.3 80.3 84 85 A K + 0 0 157 -2,-0.4 -1,-0.1 55,-0.1 55,-0.1 0.915 62.0 88.0 -85.4 -51.3 46.7 28.3 82.4 85 86 A S > - 0 0 43 1,-0.1 4,-2.1 57,-0.1 5,-0.1 -0.270 63.7-152.1 -55.4 125.7 44.4 29.8 85.1 86 87 A E H > S+ 0 0 124 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.865 96.0 56.6 -65.4 -38.7 43.9 27.5 88.1 87 88 A E H > S+ 0 0 152 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.870 110.2 44.5 -62.1 -39.2 40.5 29.0 88.8 88 89 A I H > S+ 0 0 22 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.892 110.5 52.9 -74.3 -44.1 39.3 28.1 85.3 89 90 A K H X S+ 0 0 19 -4,-2.1 4,-3.0 1,-0.2 5,-0.2 0.949 110.4 49.5 -50.8 -52.3 40.8 24.6 85.3 90 91 A E H X S+ 0 0 130 -4,-2.4 4,-1.1 1,-0.2 -1,-0.2 0.829 112.3 48.6 -55.2 -37.7 38.9 24.0 88.5 91 92 A E H X S+ 0 0 93 -4,-1.1 4,-1.3 2,-0.2 -1,-0.2 0.889 114.7 42.9 -73.1 -41.8 35.7 25.3 86.9 92 93 A V H X S+ 0 0 0 -4,-2.8 4,-2.6 2,-0.2 -2,-0.2 0.862 108.2 59.3 -73.7 -38.2 36.0 23.2 83.8 93 94 A K H X S+ 0 0 80 -4,-3.0 4,-2.1 -5,-0.3 -1,-0.2 0.860 103.2 53.3 -59.4 -37.6 37.0 20.0 85.7 94 95 A K H X S+ 0 0 139 -4,-1.1 4,-2.3 2,-0.2 -1,-0.2 0.938 108.4 48.1 -63.6 -48.5 33.8 20.2 87.6 95 96 A I H X S+ 0 0 60 -4,-1.3 4,-1.7 1,-0.2 -2,-0.2 0.955 112.3 50.2 -55.9 -51.0 31.7 20.3 84.4 96 97 A I H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.856 109.6 52.0 -52.7 -40.1 33.7 17.4 83.0 97 98 A D H X S+ 0 0 36 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.877 105.6 52.6 -68.7 -39.8 33.1 15.5 86.3 98 99 A S H X S+ 0 0 57 -4,-2.3 4,-1.8 2,-0.2 -1,-0.2 0.857 111.9 48.4 -59.3 -36.3 29.3 16.0 86.2 99 100 A R H X S+ 0 0 49 -4,-1.7 4,-2.7 2,-0.2 -2,-0.2 0.889 109.8 49.9 -72.8 -41.7 29.5 14.6 82.6 100 101 A I H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.879 108.7 53.7 -65.8 -38.4 31.6 11.6 83.6 101 102 A E H X S+ 0 0 100 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.970 112.8 43.1 -53.7 -56.8 29.1 10.8 86.5 102 103 A E H X S+ 0 0 65 -4,-1.8 4,-2.3 1,-0.2 -2,-0.2 0.909 113.3 52.5 -58.9 -44.8 26.2 10.8 84.0 103 104 A L H X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.902 111.5 46.8 -56.7 -45.9 28.2 8.8 81.5 104 105 A E H X S+ 0 0 55 -4,-2.5 4,-2.3 2,-0.2 5,-0.2 0.914 110.6 50.5 -65.4 -47.0 29.0 6.2 84.1 105 106 A K H X S+ 0 0 88 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.915 112.5 48.4 -57.6 -43.0 25.5 5.8 85.4 106 107 A V H X S+ 0 0 2 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.893 110.9 48.6 -69.1 -40.9 24.1 5.4 81.9 107 108 A L H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.903 114.1 46.3 -67.4 -39.4 26.7 2.8 80.8 108 109 A I H X S+ 0 0 25 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.923 110.2 53.8 -65.3 -45.8 26.0 0.8 84.0 109 110 A G H X S+ 0 0 0 -4,-2.7 4,-1.6 -5,-0.2 -2,-0.2 0.843 108.6 50.5 -55.1 -37.2 22.3 1.1 83.5 110 111 A V H X>S+ 0 0 0 -4,-1.9 4,-2.9 2,-0.2 5,-0.9 0.936 110.9 48.0 -66.7 -46.6 22.8 -0.3 80.0 111 112 A A H <5S+ 0 0 4 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.879 110.7 51.5 -61.6 -41.9 24.8 -3.2 81.3 112 113 A Y H <5S+ 0 0 70 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.844 119.8 35.1 -62.9 -38.7 22.1 -3.9 84.0 113 114 A L H <5S- 0 0 24 -4,-1.6 -2,-0.2 -5,-0.2 -1,-0.2 0.791 91.8-140.1 -82.2 -33.9 19.3 -4.0 81.5 114 115 A G T <5 + 0 0 25 -4,-2.9 2,-0.4 1,-0.3 -3,-0.2 0.825 66.6 118.2 64.3 32.7 21.1 -5.5 78.5 115 116 A E < + 0 0 38 -5,-0.9 2,-0.4 -6,-0.2 -1,-0.3 -0.998 41.2 179.4-132.4 132.9 19.2 -3.0 76.4 116 117 A L - 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0 0 2 3,-0.4 -2,-0.4 1,-0.1 -28,-0.1 -0.972 63.9-150.8-127.0 137.9 -25.5 13.4 65.9 1837 444 D E S S+ 0 0 85 -2,-0.4 -29,-2.1 1,-0.2 -28,-0.4 0.819 102.5 21.4 -64.3 -33.2 -26.8 16.4 67.8 1838 445 D V S S+ 0 0 0 -31,-0.2 -34,-2.4 -32,-0.1 2,-0.4 0.358 108.9 80.3-123.1 3.2 -30.3 16.0 66.4 1839 446 D N E +D 1803 0K 3 -36,-0.2 -5,-0.5 -553,-0.1 2,-0.4 -0.927 37.1 179.8-129.5 139.3 -30.7 12.4 65.1 1840 447 D I E -D 1802 0K 1 -38,-2.0 -38,-2.2 -2,-0.4 2,-0.3 -0.984 18.9-174.3-127.6 123.0 -31.4 8.9 66.4 1841 448 D S E +DE18011832K 0 -9,-1.8 -9,-3.1 -2,-0.4 2,-0.3 -0.885 5.9 172.1-115.6 148.1 -31.6 6.1 63.8 1842 449 D F E -DE18001831K 0 -42,-2.4 -42,-2.5 -2,-0.3 2,-0.4 -0.964 25.4-123.2-148.2 164.0 -32.5 2.5 64.2 1843 450 D V E +DE17991830K 0 -13,-2.2 -14,-3.1 -2,-0.3 -13,-0.8 -0.925 31.3 162.1-115.2 132.9 -33.1 -0.6 62.0 1844 451 D I E -D 1798 0K 0 -46,-1.7 -46,-2.5 -2,-0.4 -16,-0.1 -0.849 48.0 -69.4-133.3 173.9 -36.3 -2.7 61.9 1845 452 D D E > -D 1797 0K 30 -18,-0.4 3,-1.2 -2,-0.3 -48,-0.3 -0.376 42.6-122.5 -62.2 144.0 -37.9 -5.2 59.5 1846 453 D E G > S+ 0 0 48 -50,-1.7 3,-1.4 1,-0.3 4,-0.3 0.855 109.4 61.3 -56.9 -37.9 -39.2 -3.7 56.2 1847 454 D K G 3 S+ 0 0 157 -51,-0.3 4,-0.3 1,-0.3 -1,-0.3 0.724 101.6 51.9 -62.6 -25.6 -42.7 -5.0 56.9 1848 455 D D G <> S+ 0 0 20 -3,-1.2 4,-2.5 1,-0.2 -1,-0.3 0.375 80.2 100.3 -94.6 4.6 -43.0 -3.0 60.1 1849 456 D L H <> S+ 0 0 11 -3,-1.4 4,-2.7 -4,-0.2 5,-0.3 0.952 82.7 43.5 -54.3 -61.7 -42.1 0.4 58.5 1850 457 D L H > S+ 0 0 72 -4,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.920 116.8 46.2 -52.6 -53.0 -45.6 1.8 58.0 1851 458 D N H > S+ 0 0 87 -4,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.882 113.3 49.9 -59.8 -41.4 -46.8 0.8 61.5 1852 459 D C H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.938 110.8 48.0 -63.6 -50.0 -43.7 2.0 63.2 1853 460 D V H X S+ 0 0 1 -4,-2.7 4,-2.9 -5,-0.2 -2,-0.2 0.903 111.5 52.1 -56.7 -44.3 -43.8 5.5 61.5 1854 461 D R H X S+ 0 0 99 -4,-2.3 4,-3.2 -5,-0.3 -2,-0.2 0.944 110.9 45.8 -57.6 -51.7 -47.5 5.8 62.4 1855 462 D K H X S+ 0 0 59 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.910 114.5 48.3 -59.5 -46.5 -46.9 5.0 66.1 1856 463 D L H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 5,-0.4 0.904 113.1 48.5 -57.5 -44.9 -43.9 7.4 66.2 1857 464 D H H X>S+ 0 0 0 -4,-2.9 4,-2.3 -5,-0.2 5,-1.6 0.929 111.7 50.0 -63.2 -47.5 -46.0 10.1 64.5 1858 465 D E H <>S+ 0 0 100 -4,-3.2 5,-2.8 3,-0.2 4,-0.3 0.951 114.3 43.0 -53.1 -56.6 -48.9 9.6 66.9 1859 466 D K H <5S+ 0 0 97 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.884 126.8 27.0 -62.6 -41.9 -46.9 9.8 70.1 1860 467 D F H <5S+ 0 0 6 -4,-2.2 -156,-0.2 -5,-0.2 -1,-0.2 0.765 131.3 25.1 -97.1 -27.4 -44.6 12.8 69.2 1861 468 D I T <5S+ 0 0 19 -4,-2.3 -3,-0.2 -5,-0.4 -2,-0.1 0.849 128.5 28.2-108.5 -43.6 -46.5 14.9 66.7 1862 469 D E T < 0 0 67 -5,-1.6 -3,-0.2 -4,-0.3 -4,-0.2 0.883 360.0 360.0 -89.2 -46.0 -50.3 14.4 67.1 1863 470 D K < 0 0 176 -5,-2.8 -4,-0.1 -6,-0.3 -5,-0.1 0.997 360.0 360.0 57.5 360.0 -50.6 13.4 70.8 1864 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 1865 502 A D 0 0 43 0, 0.0 -1658,-2.2 0, 0.0 -1657,-0.3 0.000 360.0 360.0 360.0 360.0 31.4 13.3 65.1 1866 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 1867 501 B D 0 0 40 0, 0.0 -1194,-3.3 0, 0.0 -1193,-0.4 0.000 360.0 360.0 360.0 360.0 -0.2 -6.8 14.4 1868 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 1869 503 C D 0 0 41 0, 0.0 -731,-0.2 0, 0.0 -891,-0.2 0.000 360.0 360.0 360.0 360.0 -1.5 -9.1 87.7 1870 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 1871 504 D D 0 0 41 0, 0.0 -428,-0.2 0, 0.0 -427,-0.2 0.000 360.0 360.0 360.0 360.0 -33.2 13.7 38.3