==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 02-JUN-99 1QI6 . COMPND 2 MOLECULE: PROTEIN (NADP DEPENDENT NONPHOSPHORYLATING . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS MUTANS; . AUTHOR D.COBESSI,F.TETE-FAVIER,S.MARCHAL,G.BRANLANT,A.AUBRY . 1896 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 62685.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1384 73.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 216 11.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 168 8.9 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 0.4 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 . 158 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 165 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 617 32.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 1.1 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 0 0 4 0 3 9 8 4 8 0 4 4 4 0 4 0 0 4 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 8 0 12 20 8 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 16 6 4 4 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 12 8 0 0 4 0 0 0 0 0 0 0 0 0 2 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 90 0, 0.0 2,-1.4 0, 0.0 30,-0.1 0.000 360.0 360.0 360.0 159.1 -27.9 80.4 9.0 2 3 A K - 0 0 137 1,-0.0 30,-2.0 2,-0.0 2,-0.6 -0.612 360.0-159.6 -71.6 94.5 -24.7 79.5 10.8 3 4 A Q B -a 32 0A 94 -2,-1.4 30,-0.2 28,-0.2 2,-0.2 -0.738 5.3-155.6 -88.9 116.6 -23.6 76.9 8.2 4 5 A Y - 0 0 25 28,-2.8 2,-0.3 -2,-0.6 179,-0.0 -0.494 7.6-148.8 -87.6 153.4 -21.0 74.3 9.2 5 6 A K - 0 0 91 -2,-0.2 2,-0.2 28,-0.1 9,-0.2 -0.855 13.9-115.4-122.2 158.6 -18.7 72.5 6.8 6 7 A N E -C 13 0B 1 7,-2.5 7,-3.0 -2,-0.3 2,-0.8 -0.582 26.0-124.7 -88.6 150.3 -17.0 69.1 6.6 7 8 A Y E +C 12 0B 26 5,-0.2 197,-1.9 -2,-0.2 2,-0.4 -0.879 40.8 168.7 -98.2 107.8 -13.2 68.7 6.7 8 9 A V E > -C 11 0B 2 3,-3.4 3,-1.5 -2,-0.8 195,-0.1 -0.980 62.1 -22.6-128.1 122.5 -12.2 66.8 3.6 9 10 A N T 3 S- 0 0 46 -2,-0.4 190,-0.2 1,-0.3 -1,-0.1 0.873 127.8 -46.3 49.5 47.3 -8.7 66.4 2.3 10 11 A G T 3 S+ 0 0 23 192,-0.4 2,-0.3 1,-0.2 -1,-0.3 0.588 122.8 98.2 75.1 13.0 -7.4 69.4 4.2 11 12 A E E < S-C 8 0B 118 -3,-1.5 -3,-3.4 2,-0.0 2,-0.5 -0.961 71.6-125.9-133.9 148.8 -10.3 71.6 3.1 12 13 A W E -C 7 0B 99 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.820 37.8-169.5 -93.3 126.7 -13.6 72.8 4.6 13 14 A K E -C 6 0B 69 -7,-3.0 -7,-2.5 -2,-0.5 2,-0.2 -0.967 19.1-157.5-129.2 137.6 -16.4 71.9 2.3 14 15 A L - 0 0 85 -2,-0.4 2,-0.2 -9,-0.2 -9,-0.1 -0.563 19.4-138.3 -96.9 162.3 -20.1 72.7 2.0 15 16 A S - 0 0 23 2,-0.3 21,-0.1 -2,-0.2 -1,-0.0 -0.723 26.2-107.9-114.9 170.1 -22.6 70.5 0.1 16 17 A E S S+ 0 0 184 -2,-0.2 2,-0.3 19,-0.1 20,-0.1 0.860 106.4 40.6 -66.6 -33.1 -25.4 71.6 -2.2 17 18 A N S S- 0 0 85 18,-0.4 18,-2.3 -3,-0.0 -2,-0.3 -0.784 72.6-167.7-114.1 159.2 -27.9 70.5 0.4 18 19 A E E -B 34 0A 57 -2,-0.3 2,-0.4 16,-0.3 -15,-0.0 -0.879 17.3-132.5-140.9 170.3 -27.9 70.9 4.2 19 20 A I E -B 33 0A 24 14,-2.9 14,-2.4 -2,-0.3 2,-0.3 -0.997 21.1-137.4-129.2 126.0 -29.6 69.8 7.4 20 21 A K E -B 32 0A 90 -2,-0.4 2,-0.4 12,-0.2 12,-0.2 -0.678 15.6-152.7 -86.2 136.3 -30.7 72.2 10.1 21 22 A I E -B 31 0A 2 10,-2.8 9,-3.2 -2,-0.3 10,-1.2 -0.909 10.3-166.9-111.7 136.0 -30.1 71.2 13.7 22 23 A Y E -B 29 0A 107 -2,-0.4 7,-0.2 7,-0.3 6,-0.1 -0.767 30.1 -98.1-117.7 163.4 -32.2 72.4 16.6 23 24 A E > - 0 0 36 5,-2.6 4,-3.2 -2,-0.3 65,-0.2 -0.731 24.1-144.8 -84.6 121.7 -31.8 72.4 20.4 24 25 A P T 4 S+ 0 0 25 0, 0.0 332,-0.2 0, 0.0 -1,-0.1 0.702 98.4 44.9 -56.3 -24.5 -33.7 69.4 22.1 25 26 A A T 4 S+ 0 0 34 62,-0.4 331,-0.1 3,-0.1 332,-0.1 0.831 130.4 16.2 -91.7 -35.2 -34.6 71.6 25.1 26 27 A S T 4 S- 0 0 76 61,-0.2 3,-0.1 -3,-0.2 -1,-0.0 0.626 87.1-128.6-113.3 -20.4 -35.7 74.9 23.5 27 28 A G < + 0 0 49 -4,-3.2 2,-0.1 1,-0.3 3,-0.1 0.411 59.7 143.6 84.9 -3.3 -36.4 74.0 19.9 28 29 A A - 0 0 46 -5,-0.2 -5,-2.6 -6,-0.1 -1,-0.3 -0.436 58.1-104.2 -72.0 143.3 -34.2 77.0 18.8 29 30 A E E - B 0 22A 78 -7,-0.2 -7,-0.3 1,-0.1 -1,-0.1 -0.467 30.2-174.1 -70.4 133.9 -32.0 76.5 15.7 30 31 A L E - 0 0 24 -9,-3.2 2,-0.3 1,-0.4 -8,-0.2 0.666 52.6 -88.5 -98.5 -27.0 -28.3 75.9 16.4 31 32 A G E - B 0 21A 1 -10,-1.2 -10,-2.8 -30,-0.1 -1,-0.4 -0.970 47.6 -75.6 149.3-156.8 -27.1 76.0 12.7 32 33 A S E -aB 3 20A 1 -30,-2.0 -28,-2.8 -2,-0.3 -12,-0.2 -0.961 22.5-155.9-142.3 157.6 -26.7 73.5 9.9 33 34 A V E - B 0 19A 1 -14,-2.4 -14,-2.9 -2,-0.3 -28,-0.1 -0.928 37.9 -88.8-128.4 152.8 -24.5 70.7 8.6 34 35 A P E - B 0 18A 2 0, 0.0 2,-0.7 0, 0.0 -16,-0.3 -0.222 23.5-142.1 -62.1 149.5 -23.9 69.4 5.0 35 36 A A - 0 0 3 -18,-2.3 -18,-0.4 172,-0.1 172,-0.3 -0.799 32.1-148.1-112.5 82.4 -26.1 66.7 3.6 36 37 A M - 0 0 7 170,-2.2 172,-0.4 -2,-0.7 2,-0.2 -0.036 3.4-137.6 -55.0 153.0 -23.5 64.7 1.6 37 38 A S > - 0 0 26 170,-0.1 4,-1.5 1,-0.1 3,-0.3 -0.653 29.8-106.6-104.3 163.1 -24.1 62.8 -1.6 38 39 A T H > S+ 0 0 36 1,-0.2 4,-1.6 -2,-0.2 5,-0.1 0.797 121.9 56.0 -61.9 -29.4 -22.6 59.4 -2.4 39 40 A E H > S+ 0 0 129 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.866 105.1 51.7 -69.5 -37.8 -20.1 61.0 -4.8 40 41 A E H > S+ 0 0 61 -3,-0.3 4,-1.4 1,-0.2 -2,-0.2 0.839 107.9 52.1 -68.4 -29.8 -18.9 63.3 -1.9 41 42 A V H X S+ 0 0 0 -4,-1.5 4,-2.1 1,-0.2 -1,-0.2 0.863 104.9 56.7 -71.5 -36.9 -18.4 60.2 0.2 42 43 A D H X S+ 0 0 55 -4,-1.6 4,-2.1 1,-0.2 -2,-0.2 0.852 105.4 51.4 -61.6 -36.6 -16.3 58.7 -2.6 43 44 A Y H X S+ 0 0 109 -4,-1.4 4,-2.1 2,-0.2 -1,-0.2 0.855 106.6 53.0 -70.2 -37.2 -14.0 61.7 -2.5 44 45 A V H X S+ 0 0 0 -4,-1.4 4,-2.0 2,-0.2 -2,-0.2 0.950 113.4 43.5 -62.2 -48.0 -13.5 61.4 1.2 45 46 A Y H X S+ 0 0 2 -4,-2.1 4,-2.6 2,-0.2 5,-0.2 0.882 112.1 52.0 -65.5 -42.2 -12.4 57.7 0.9 46 47 A A H X S+ 0 0 59 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.911 111.3 48.6 -61.5 -41.5 -10.2 58.3 -2.2 47 48 A S H X S+ 0 0 5 -4,-2.1 4,-1.6 1,-0.2 -2,-0.2 0.888 112.5 48.2 -64.9 -41.8 -8.4 61.1 -0.3 48 49 A A H X S+ 0 0 0 -4,-2.0 4,-1.4 2,-0.2 -2,-0.2 0.893 111.2 48.5 -66.8 -43.3 -7.9 58.9 2.7 49 50 A K H < S+ 0 0 84 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.854 110.4 53.9 -66.0 -32.9 -6.6 55.9 0.8 50 51 A K H < S+ 0 0 178 -4,-1.7 4,-0.3 -5,-0.2 -1,-0.2 0.867 112.7 42.0 -69.1 -37.1 -4.3 58.3 -1.1 51 52 A A H X S+ 0 0 17 -4,-1.6 4,-1.4 149,-0.2 -1,-0.2 0.638 92.9 85.2 -86.2 -16.7 -2.8 59.7 2.2 52 53 A Q H X S+ 0 0 32 -4,-1.4 4,-3.0 1,-0.2 3,-0.4 0.901 83.4 54.2 -54.7 -51.3 -2.5 56.4 4.1 53 54 A P H > S+ 0 0 79 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.896 112.0 44.2 -52.5 -46.7 1.0 55.2 2.8 54 55 A A H 4 S+ 0 0 69 -4,-0.3 4,-0.4 2,-0.2 -2,-0.2 0.781 113.7 51.7 -70.3 -27.6 2.8 58.4 3.8 55 56 A W H >< S+ 0 0 2 -4,-1.4 3,-1.1 -3,-0.4 -1,-0.2 0.914 110.1 47.9 -73.5 -43.7 1.0 58.4 7.1 56 57 A R H 3< S+ 0 0 78 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.812 105.4 62.4 -64.5 -30.6 2.0 54.8 7.8 57 58 A A T 3< S+ 0 0 58 -4,-1.5 -1,-0.2 -5,-0.3 -2,-0.2 0.625 85.5 91.7 -71.4 -18.4 5.6 55.8 6.8 58 59 A L S < S- 0 0 41 -3,-1.1 2,-0.1 -4,-0.4 1492,-0.1 -0.367 87.2-101.4 -73.2 161.1 5.9 58.4 9.6 59 60 A S > - 0 0 3 1,-0.1 4,-1.5 -2,-0.1 3,-0.3 -0.405 26.6-113.6 -80.6 160.7 7.4 57.2 12.9 60 61 A Y H > S+ 0 0 24 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.910 116.4 58.4 -58.9 -42.4 5.2 56.4 15.9 61 62 A I H > S+ 0 0 55 1489,-2.0 4,-1.5 1,-0.2 -1,-0.2 0.841 105.2 49.0 -57.0 -38.6 6.7 59.4 17.8 62 63 A E H > S+ 0 0 69 -3,-0.3 4,-1.4 2,-0.2 -1,-0.2 0.855 110.6 50.0 -70.9 -39.0 5.6 61.9 15.1 63 64 A R H X S+ 0 0 7 -4,-1.5 4,-1.7 1,-0.2 -2,-0.2 0.845 110.3 50.6 -68.0 -33.8 2.0 60.5 15.0 64 65 A A H X S+ 0 0 1 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.850 105.8 55.7 -70.5 -37.1 1.8 60.8 18.8 65 66 A A H X S+ 0 0 59 -4,-1.5 4,-1.6 2,-0.2 -2,-0.2 0.881 106.6 50.8 -63.3 -39.6 3.0 64.4 18.7 66 67 A Y H X S+ 0 0 69 -4,-1.4 4,-1.7 1,-0.2 3,-0.4 0.958 111.4 47.4 -61.9 -51.2 0.1 65.3 16.3 67 68 A L H X S+ 0 0 1 -4,-1.7 4,-1.8 1,-0.2 -2,-0.2 0.843 108.2 55.5 -60.0 -36.6 -2.4 63.6 18.6 68 69 A H H X S+ 0 0 47 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.865 106.4 51.1 -64.8 -36.0 -1.0 65.4 21.7 69 70 A K H X S+ 0 0 107 -4,-1.6 4,-2.0 -3,-0.4 -2,-0.2 0.879 106.2 54.6 -68.9 -38.1 -1.5 68.8 19.9 70 71 A V H X S+ 0 0 0 -4,-1.7 4,-2.1 1,-0.2 -2,-0.2 0.917 109.3 48.6 -60.1 -43.9 -5.1 68.0 19.2 71 72 A A H X S+ 0 0 0 -4,-1.8 4,-2.0 1,-0.2 -1,-0.2 0.857 108.9 52.0 -65.0 -39.6 -5.7 67.3 22.9 72 73 A D H X S+ 0 0 103 -4,-1.7 4,-1.6 2,-0.2 -1,-0.2 0.871 109.9 49.4 -64.7 -39.7 -4.1 70.5 23.9 73 74 A I H X S+ 0 0 13 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.911 109.4 51.7 -65.7 -44.3 -6.3 72.5 21.6 74 75 A L H < S+ 0 0 2 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.889 108.2 52.0 -59.8 -41.2 -9.4 70.8 22.9 75 76 A M H >< S+ 0 0 75 -4,-2.0 3,-0.9 1,-0.2 -1,-0.2 0.880 108.5 52.1 -63.3 -36.7 -8.4 71.6 26.4 76 77 A R H 3< S+ 0 0 127 -4,-1.6 3,-0.3 1,-0.2 -2,-0.2 0.923 117.8 36.2 -65.2 -44.7 -8.0 75.3 25.4 77 78 A D T 3X S+ 0 0 30 -4,-2.2 4,-3.0 1,-0.2 5,-0.3 0.093 78.8 119.4 -98.9 25.2 -11.5 75.5 23.9 78 79 A K H <> S+ 0 0 53 -3,-0.9 4,-2.9 1,-0.2 -1,-0.2 0.869 79.5 44.6 -59.1 -39.8 -13.4 73.2 26.3 79 80 A E H > S+ 0 0 89 -3,-0.3 4,-2.0 -4,-0.2 -1,-0.2 0.894 114.9 50.4 -69.4 -40.1 -15.8 76.0 27.4 80 81 A K H > S+ 0 0 155 2,-0.2 4,-1.0 -4,-0.2 -2,-0.2 0.945 119.1 35.6 -61.8 -51.5 -16.3 77.0 23.8 81 82 A I H X S+ 0 0 13 -4,-3.0 4,-2.3 1,-0.2 3,-0.3 0.907 115.2 55.9 -70.8 -43.7 -17.0 73.5 22.6 82 83 A G H X S+ 0 0 0 -4,-2.9 4,-2.1 -5,-0.3 -1,-0.2 0.843 100.4 60.7 -58.0 -35.6 -18.9 72.4 25.8 83 84 A A H X S+ 0 0 37 -4,-2.0 4,-1.0 1,-0.2 -1,-0.2 0.918 111.8 37.0 -58.4 -47.0 -21.3 75.3 25.4 84 85 A I H X S+ 0 0 37 -4,-1.0 4,-2.2 -3,-0.3 -2,-0.2 0.845 113.4 55.2 -76.3 -36.5 -22.6 74.1 22.0 85 86 A L H X S+ 0 0 0 -4,-2.3 4,-1.7 1,-0.2 6,-0.4 0.867 105.0 56.1 -64.4 -35.7 -22.4 70.4 22.9 86 87 A S H <>S+ 0 0 3 -4,-2.1 5,-1.2 -5,-0.2 4,-0.4 0.882 112.4 41.2 -62.2 -40.7 -24.7 71.1 25.9 87 88 A K H <5S+ 0 0 90 -4,-1.0 -62,-0.4 3,-0.2 -2,-0.2 0.814 111.0 56.2 -78.9 -33.0 -27.3 72.7 23.6 88 89 A E H <5S+ 0 0 0 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.848 124.1 19.7 -71.2 -37.7 -27.1 70.2 20.8 89 90 A V T <5S- 0 0 0 -4,-1.7 -1,-0.2 -5,-0.1 -2,-0.2 0.230 105.1-113.9-117.5 13.6 -27.8 67.0 22.8 90 91 A A T 5 + 0 0 0 -4,-0.4 2,-0.4 1,-0.2 -3,-0.2 0.901 62.5 152.4 54.2 47.7 -29.5 68.6 25.9 91 92 A K < - 0 0 2 -5,-1.2 -1,-0.2 -6,-0.4 -2,-0.1 -0.837 55.2 -91.2-105.3 143.5 -26.7 67.6 28.2 92 93 A G > - 0 0 9 -2,-0.4 4,-2.4 227,-0.2 224,-0.2 -0.209 35.8-121.1 -52.8 143.9 -25.9 69.7 31.4 93 94 A Y H > S+ 0 0 84 222,-2.0 4,-2.0 2,-0.2 5,-0.2 0.918 110.6 45.5 -54.1 -54.2 -23.3 72.4 30.7 94 95 A K H > S+ 0 0 146 221,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.886 115.3 48.5 -57.9 -41.4 -20.7 71.2 33.3 95 96 A S H > S+ 0 0 60 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.852 108.2 55.1 -67.2 -35.1 -21.2 67.6 32.1 96 97 A A H X S+ 0 0 0 -4,-2.4 4,-1.1 1,-0.2 -2,-0.2 0.875 108.2 47.8 -66.1 -38.5 -20.8 68.8 28.5 97 98 A V H X S+ 0 0 20 -4,-2.0 4,-1.7 1,-0.2 -1,-0.2 0.810 107.8 57.1 -71.8 -29.6 -17.4 70.4 29.4 98 99 A S H X S+ 0 0 74 -4,-1.5 4,-2.5 1,-0.2 -2,-0.2 0.869 100.9 56.3 -68.2 -38.8 -16.4 67.2 31.2 99 100 A E H X S+ 0 0 6 -4,-1.7 4,-1.4 2,-0.2 -1,-0.2 0.885 107.2 49.4 -59.6 -40.1 -16.9 65.1 28.0 100 101 A V H X S+ 0 0 0 -4,-1.1 4,-1.6 2,-0.2 -1,-0.2 0.907 111.4 48.3 -66.1 -43.5 -14.5 67.3 26.1 101 102 A V H X S+ 0 0 34 -4,-1.7 4,-1.9 1,-0.2 -2,-0.2 0.896 111.4 49.9 -64.1 -40.4 -11.8 67.0 28.8 102 103 A R H X S+ 0 0 55 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.791 106.2 56.7 -68.1 -29.3 -12.2 63.2 28.9 103 104 A T H X S+ 0 0 0 -4,-1.4 4,-1.9 2,-0.2 -1,-0.2 0.886 107.0 49.2 -67.6 -38.9 -11.9 63.2 25.1 104 105 A A H X S+ 0 0 2 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.884 109.3 52.5 -66.7 -39.9 -8.5 65.0 25.6 105 106 A E H X S+ 0 0 85 -4,-1.9 4,-2.1 1,-0.2 -2,-0.2 0.904 110.9 45.9 -62.4 -44.6 -7.4 62.4 28.2 106 107 A I H X S+ 0 0 3 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.868 111.4 52.6 -67.7 -37.6 -8.2 59.4 25.9 107 108 A I H X S+ 0 0 0 -4,-1.9 4,-1.3 2,-0.2 -2,-0.2 0.897 112.4 44.5 -65.1 -42.0 -6.5 61.0 22.9 108 109 A N H X S+ 0 0 46 -4,-2.1 4,-1.6 2,-0.2 -2,-0.2 0.900 114.5 48.9 -68.6 -42.7 -3.3 61.6 25.0 109 110 A Y H X S+ 0 0 24 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.864 110.1 50.4 -66.0 -39.1 -3.4 58.1 26.5 110 111 A A H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.820 107.0 56.4 -68.8 -31.4 -3.9 56.4 23.1 111 112 A A H X S+ 0 0 0 -4,-1.3 4,-0.8 1,-0.2 -2,-0.2 0.921 114.5 37.2 -65.7 -44.6 -0.9 58.3 21.7 112 113 A E H < S+ 0 0 28 -4,-1.6 4,-0.3 2,-0.2 -2,-0.2 0.764 116.2 52.3 -79.0 -29.7 1.4 57.0 24.4 113 114 A E H >< S+ 0 0 39 -4,-2.1 3,-0.7 1,-0.2 -2,-0.2 0.896 111.3 48.5 -72.1 -39.7 -0.1 53.5 24.5 114 115 A G H 3< S+ 0 0 0 -4,-2.2 3,-0.5 1,-0.2 -2,-0.2 0.671 100.5 61.4 -75.4 -22.5 0.3 53.2 20.8 115 116 A L T 3< S+ 0 0 2 -4,-0.8 -1,-0.2 1,-0.2 2,-0.1 0.590 93.3 68.1 -80.8 -8.1 3.9 54.3 20.4 116 117 A R S < S+ 0 0 32 -3,-0.7 2,-0.4 -4,-0.3 -1,-0.2 -0.327 72.1 147.8-102.9 45.9 4.9 51.4 22.6 117 118 A M + 0 0 23 -3,-0.5 1431,-0.5 -2,-0.1 2,-0.3 -0.721 20.3 171.9 -84.2 126.1 3.9 48.9 19.9 118 119 A E - 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l 01852E 4 21,-0.2 -150,-0.6 20,-0.2 2,-0.3 -0.900 51.6-156.8-146.3 172.2 4.5 34.6 53.2 1831 407 D A E -jl16801853E 0 21,-1.9 23,-3.4 -2,-0.3 2,-0.3 -0.990 7.9-143.7-153.8 154.4 1.5 35.6 55.3 1832 408 D S E -jl16811854E 0 -152,-2.2 -150,-2.8 -2,-0.3 2,-0.4 -0.926 8.1-165.4-120.3 145.7 -2.1 34.5 56.0 1833 409 D I E -jl16821855E 0 21,-2.2 23,-2.9 -2,-0.3 2,-0.7 -0.985 4.6-161.0-133.8 118.9 -5.1 36.8 56.8 1834 410 D F E +j 1683 0E 0 -152,-3.1 -150,-2.4 -2,-0.4 -147,-0.3 -0.914 42.0 110.6-105.2 111.1 -8.2 35.3 58.2 1835 411 D T - 0 0 0 -2,-0.7 -148,-0.1 -152,-0.1 -147,-0.1 -0.969 63.9-128.8-166.6 166.0 -11.2 37.6 57.8 1836 412 D N S S+ 0 0 85 -2,-0.3 2,-0.8 1,-0.1 -1423,-0.3 0.378 88.1 86.9-106.2 1.7 -14.5 38.0 55.8 1837 413 D D > + 0 0 55 1,-0.2 4,-1.7 -1425,-0.1 -1,-0.1 -0.861 52.1 176.0-104.9 97.4 -13.7 41.5 54.6 1838 414 D F H > S+ 0 0 7 -2,-0.8 4,-2.5 -1427,-0.4 5,-0.2 0.882 75.1 55.3 -71.0 -44.0 -11.7 41.1 51.4 1839 415 D P H > S+ 0 0 5 0, 0.0 -890,-2.4 0, 0.0 4,-1.4 0.918 114.2 44.6 -56.9 -38.7 -11.3 44.8 50.3 1840 416 D R H > S+ 0 0 96 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.889 110.2 54.4 -69.4 -41.3 -9.7 45.4 53.8 1841 417 D A H X S+ 0 0 0 -4,-1.7 4,-2.3 1,-0.2 -1,-0.2 0.850 106.9 51.8 -61.3 -35.5 -7.6 42.2 53.5 1842 418 D F H X S+ 0 0 4 -4,-2.5 4,-1.3 2,-0.2 -1,-0.2 0.875 109.5 50.5 -68.7 -35.8 -6.2 43.5 50.1 1843 419 D G H X S+ 0 0 2 -4,-1.4 4,-0.7 -894,-0.3 -2,-0.2 0.905 111.6 45.9 -67.5 -44.1 -5.3 46.7 51.9 1844 420 D I H >X S+ 0 0 5 -4,-2.4 3,-1.5 1,-0.2 4,-1.3 0.936 108.7 58.2 -62.6 -44.7 -3.5 45.0 54.7 1845 421 D A H 3< S+ 0 0 1 -4,-2.3 5,-0.3 1,-0.3 -1,-0.2 0.792 100.1 56.5 -55.6 -34.5 -1.8 42.7 52.2 1846 422 D E H 3< S+ 0 0 53 -4,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.777 109.1 48.2 -69.2 -25.9 -0.3 45.8 50.5 1847 423 D Q H << S+ 0 0 104 -3,-1.5 2,-0.3 -4,-0.7 -2,-0.2 0.708 89.2 96.3 -86.7 -25.2 1.2 46.7 53.8 1848 424 D L S < S- 0 0 1 -4,-1.3 2,-1.8 1,-0.1 -17,-0.1 -0.551 72.8-135.8 -73.3 128.1 2.7 43.4 54.7 1849 425 D E + 0 0 92 -2,-0.3 2,-0.3 -22,-0.1 22,-0.2 -0.499 66.7 104.7 -84.5 70.5 6.4 43.0 53.8 1850 426 D V S S- 0 0 16 -2,-1.8 -21,-0.2 -5,-0.3 -20,-0.2 -0.852 73.0-123.0-139.2 171.6 6.2 39.5 52.3 1851 427 D G S S+ 0 0 2 -22,-1.8 -433,-2.7 -23,-0.5 2,-0.4 0.916 93.5 23.9 -84.9 -48.1 6.2 37.8 48.9 1852 428 D T E -hl14181830E 4 -23,-1.4 -21,-1.9 17,-0.3 2,-0.5 -0.954 60.7-163.0-125.9 139.8 2.8 36.0 49.1 1853 429 D V E -hl14191831E 0 -435,-3.2 -433,-2.5 -2,-0.4 2,-0.5 -0.978 8.5-156.9-122.2 123.1 -0.3 36.6 51.1 1854 430 D H E -hl14201832E 4 -23,-3.4 -21,-2.2 -2,-0.5 2,-0.6 -0.885 9.0-147.0-101.3 124.1 -3.0 33.9 51.5 1855 431 D I E S- l 01833E 4 -435,-2.4 -433,-0.4 -2,-0.5 -21,-0.2 -0.831 80.1 -13.3 -95.0 119.5 -6.5 35.0 52.4 1856 432 D N S S+ 0 0 26 -23,-2.9 2,-0.3 -2,-0.6 -1,-0.2 0.844 122.3 84.7 59.4 39.6 -8.4 32.5 54.6 1857 433 D N S S- 0 0 25 -3,-0.5 -24,-0.2 -24,-0.2 -1,-0.2 -0.975 81.9 -97.2-162.0 154.8 -5.8 29.8 54.0 1858 434 D K - 0 0 47 -2,-0.3 -162,-0.1 1,-0.1 -3,-0.1 -0.379 49.3 -92.8 -74.2 157.9 -2.5 28.6 55.4 1859 435 D T + 0 0 1 -2,-0.1 2,-0.3 -5,-0.1 -148,-0.2 -0.245 57.4 146.8 -68.5 156.2 0.8 29.6 53.7 1860 436 D Q - 0 0 34 2,-0.1 -150,-0.1 -150,-0.1 -161,-0.0 -0.904 62.4-112.6 178.4 156.5 2.4 27.3 51.1 1861 437 D R + 0 0 19 -2,-0.3 5,-0.2 -152,-0.2 -1,-0.1 0.656 64.4 171.5 -73.1 -13.9 4.4 27.1 47.9 1862 438 D G + 0 0 11 2,-0.1 4,-0.2 3,-0.1 -2,-0.1 0.515 48.6 15.4 -2.7 117.7 1.1 25.9 46.6 1863 439 D T S > S- 0 0 7 1,-0.1 3,-1.6 2,-0.1 -788,-0.1 0.871 74.6-137.8 67.2 100.0 0.8 25.5 42.8 1864 440 D D T 3 S+ 0 0 18 1,-0.3 17,-2.6 16,-0.1 -1,-0.1 0.467 99.0 67.8 -66.6 -0.7 4.3 25.6 41.4 1865 441 D N T 3 S+ 0 0 13 15,-0.2 -1,-0.3 16,-0.1 17,-0.2 0.737 85.0 86.4 -88.7 -23.7 3.1 27.8 38.6 1866 442 D F S < S- 0 0 6 -3,-1.6 15,-0.2 -5,-0.2 17,-0.1 -0.358 95.4 -93.3 -72.6 153.4 2.5 30.7 41.0 1867 443 D P - 0 0 5 0, 0.0 2,-0.4 0, 0.0 13,-0.3 -0.381 38.0-162.7 -69.3 146.5 5.4 33.0 41.9 1868 444 D F B +H 1879 0h 10 11,-1.8 11,-3.3 -4,-0.1 2,-0.3 -0.963 28.5 129.6-135.4 115.5 7.4 32.1 45.0 1869 445 D L - 0 0 11 -2,-0.4 -18,-0.4 -40,-0.2 2,-0.3 -0.945 36.6-137.6-154.6 173.7 9.6 34.7 46.7 1870 446 D G - 0 0 17 7,-0.4 -41,-0.3 -2,-0.3 2,-0.1 -0.972 12.7-131.2-142.4 153.4 10.5 36.3 50.0 1871 447 D A E > -G 1828 0g 29 -43,-3.9 3,-2.6 -2,-0.3 -43,-0.6 -0.421 69.2 -6.9 -95.9 174.9 11.2 39.8 51.3 1872 448 D K E > S-G 1827 0g 74 1,-0.3 3,-0.8 2,-0.2 -45,-0.2 -0.062 135.1 -6.2 41.3-125.2 14.0 41.1 53.5 1873 449 D K T 3 S+ 0 0 76 -47,-2.6 -197,-0.4 1,-0.2 -1,-0.3 0.407 116.2 86.6 -78.9 2.0 16.2 38.2 54.8 1874 450 D S T < S- 0 0 1 -3,-2.6 -199,-2.2 -48,-0.2 2,-0.3 0.494 100.3 -64.7 -80.7 -5.6 13.9 35.5 53.4 1875 451 D G E < -B 1674 0c 10 -3,-0.8 2,-0.3 -201,-0.2 -201,-0.2 -0.944 36.6-100.0 155.6-174.7 15.6 35.4 50.0 1876 452 D A E S+B 1673 0c 18 -203,-1.6 -203,-2.7 -2,-0.3 -682,-0.1 -0.965 74.3 22.4-150.2 127.9 16.6 36.9 46.6 1877 453 D G S S- 0 0 42 -2,-0.3 2,-0.6 -205,-0.2 -7,-0.4 0.055 79.7 -87.1 95.8 154.5 14.9 36.3 43.3 1878 454 D I - 0 0 38 5,-0.2 9,-0.2 -9,-0.1 -9,-0.2 -0.895 42.9-171.0-106.4 118.3 11.5 35.2 42.1 1879 455 D Q B +H 1868 0h 10 -11,-3.3 -11,-1.8 -2,-0.6 4,-0.2 -0.258 33.7 109.1 -92.9-170.9 10.8 31.4 41.9 1880 456 D G S > S- 0 0 10 -13,-0.3 4,-2.5 -294,-0.2 5,-0.3 -0.131 84.4 -79.4 109.2 145.2 7.9 29.5 40.4 1881 457 D V H > S+ 0 0 5 -17,-2.6 4,-1.6 1,-0.2 3,-0.5 0.903 129.6 39.4 -41.8 -66.0 8.4 27.5 37.2 1882 458 D K H > S+ 0 0 36 1,-0.2 4,-1.8 -17,-0.2 -1,-0.2 0.883 118.7 47.9 -53.4 -45.9 8.0 30.4 34.7 1883 459 D Y H > S+ 0 0 18 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.775 107.3 56.2 -69.6 -29.9 10.0 32.8 36.9 1884 460 D S H X S+ 0 0 2 -4,-2.5 4,-1.9 -3,-0.5 -1,-0.2 0.843 107.0 50.3 -70.0 -35.3 12.8 30.3 37.5 1885 461 D I H < S+ 0 0 3 -4,-1.6 -2,-0.2 -5,-0.3 -1,-0.2 0.920 111.2 47.4 -69.1 -43.3 13.3 30.0 33.7 1886 462 D E H >< S+ 0 0 88 -4,-1.8 3,-1.1 1,-0.2 -2,-0.2 0.882 111.6 52.5 -64.5 -38.8 13.4 33.8 33.2 1887 463 D A H 3< S+ 0 0 37 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.894 108.5 48.6 -64.5 -42.6 15.9 34.0 36.1 1888 464 D M T 3< S+ 0 0 0 -4,-1.9 -320,-1.0 -5,-0.1 2,-0.3 0.039 107.5 67.3 -90.3 27.4 18.3 31.4 34.7 1889 465 D T E < - R 01567C 10 -3,-1.1 2,-0.2 -322,-0.2 -324,-0.0 -0.945 61.5-159.0-139.6 158.4 18.4 33.0 31.2 1890 466 D T E - R 01566C 44 -324,-3.9 -324,-2.7 -2,-0.3 2,-0.3 -0.609 23.4-104.3-123.5-170.5 19.7 36.2 29.8 1891 467 D V E - R 01565C 12 -326,-0.3 2,-0.4 -2,-0.2 -326,-0.2 -0.848 14.7-157.7-124.2 154.1 18.9 38.1 26.6 1892 468 D K E - R 01564C 10 -328,-2.1 -328,-2.2 -2,-0.3 2,-0.5 -0.973 13.3-160.8-132.0 116.0 20.6 38.6 23.2 1893 469 D S E -pR13771563C 1 -517,-2.4 -515,-3.0 -2,-0.4 2,-0.6 -0.885 6.0-170.0-106.9 122.7 19.7 41.7 21.2 1894 470 D V E -pR13781562C 9 -332,-2.2 -332,-2.8 -2,-0.5 2,-0.4 -0.952 11.2-167.6-111.8 116.4 20.4 41.9 17.4 1895 471 D V E +pR13791561C 3 -517,-2.7 -515,-2.6 -2,-0.6 2,-0.3 -0.883 15.8 152.4-110.5 133.4 19.9 45.4 15.9 1896 472 D F E - R 01560C 5 -336,-1.6 -336,-2.0 -2,-0.4 2,-0.4 -0.981 37.3-112.0-153.3 160.7 19.8 46.4 12.2 1897 473 D D E - R 01559C 53 -517,-0.4 -338,-0.2 -2,-0.3 2,-0.2 -0.836 25.5-130.9-102.2 136.7 18.3 48.9 9.8 1898 474 D I 0 0 8 -340,-3.1 -1008,-0.2 -2,-0.4 -340,-0.0 -0.551 360.0 360.0 -83.6 142.4 15.6 48.2 7.2 1899 475 D K 0 0 145 -1010,-2.0 -1006,-0.3 -2,-0.2 -1005,-0.2 -0.687 360.0 360.0-115.0 360.0 16.1 49.4 3.6