==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 05-NOV-98 2EUH . COMPND 2 MOLECULE: NADP DEPENDENT NON PHOSPHORYLATING . 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) . 60969.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1409 74.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 212 11.2 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 . 186 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 623 32.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 21 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 13 4 4 4 4 4 2 6 0 4 0 0 4 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 8 0 12 22 6 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 91 0, 0.0 2,-1.1 0, 0.0 30,-0.1 0.000 360.0 360.0 360.0 152.9 30.9 78.7 12.2 2 3 A K - 0 0 137 1,-0.0 30,-2.4 31,-0.0 2,-0.7 -0.683 360.0-161.0 -77.7 103.5 34.3 77.8 13.6 3 4 A Q B -a 32 0A 90 -2,-1.1 30,-0.2 28,-0.2 2,-0.1 -0.800 3.9-156.9 -96.8 112.7 35.3 75.2 11.1 4 5 A Y - 0 0 33 28,-2.6 2,-0.3 -2,-0.7 179,-0.0 -0.440 12.6-142.5 -81.4 157.6 38.0 72.8 12.1 5 6 A K - 0 0 92 28,-0.1 2,-0.2 -2,-0.1 9,-0.2 -0.859 11.2-113.6-124.1 157.7 40.1 71.0 9.5 6 7 A N E -C 13 0B 0 7,-2.8 7,-3.4 -2,-0.3 2,-0.8 -0.604 27.3-124.9 -86.7 148.3 41.6 67.5 9.0 7 8 A Y E +C 12 0B 23 5,-0.2 197,-2.0 -2,-0.2 2,-0.4 -0.863 40.8 169.2 -95.5 111.0 45.3 67.2 9.0 8 9 A V E > -C 11 0B 2 3,-4.2 3,-2.2 -2,-0.8 195,-0.1 -0.989 61.7 -24.3-130.5 124.5 46.1 65.4 5.8 9 10 A N T 3 S- 0 0 32 -2,-0.4 190,-0.2 1,-0.3 -1,-0.1 0.879 127.9 -44.2 42.6 54.8 49.6 64.9 4.3 10 11 A G T 3 S+ 0 0 33 192,-0.4 2,-0.3 1,-0.2 -1,-0.3 0.511 124.8 93.0 75.1 3.4 51.0 68.0 6.1 11 12 A E E < S-C 8 0B 99 -3,-2.2 -3,-4.2 2,-0.0 2,-0.5 -0.926 72.9-123.1-131.2 156.5 48.1 70.1 5.3 12 13 A W E -C 7 0B 92 -2,-0.3 2,-0.4 -5,-0.3 -5,-0.2 -0.835 35.0-169.5 -96.7 129.5 44.8 71.1 7.0 13 14 A K E -C 6 0B 61 -7,-3.4 -7,-2.8 -2,-0.5 2,-0.2 -0.969 18.0-160.1-132.7 135.6 41.7 70.3 4.9 14 15 A L - 0 0 80 -2,-0.4 2,-0.3 -9,-0.2 -9,-0.1 -0.497 21.7-137.1 -93.9 171.1 38.0 71.1 5.0 15 16 A S - 0 0 24 2,-0.3 21,-0.1 -2,-0.2 -1,-0.0 -0.770 27.6-102.9-123.5 170.3 35.5 69.0 3.1 16 17 A E S S+ 0 0 184 -2,-0.3 2,-0.3 19,-0.1 20,-0.1 0.861 109.6 41.8 -63.0 -30.6 32.5 70.1 1.1 17 18 A N S S- 0 0 94 18,-0.4 18,-2.3 2,-0.0 -2,-0.3 -0.817 72.0-165.3-117.3 158.0 30.3 69.0 4.0 18 19 A E E -B 34 0A 71 -2,-0.3 2,-0.4 16,-0.3 -15,-0.0 -0.844 15.9-135.1-135.3 168.6 30.7 69.6 7.7 19 20 A I E -B 33 0A 8 14,-2.6 14,-2.7 -2,-0.3 2,-0.4 -0.997 21.6-137.7-129.7 123.5 29.2 68.3 11.0 20 21 A K E -B 32 0A 93 -2,-0.4 2,-0.4 12,-0.3 12,-0.3 -0.705 15.3-151.8 -87.1 132.2 28.3 70.7 13.7 21 22 A I E -B 31 0A 2 10,-2.6 9,-3.9 -2,-0.4 10,-1.1 -0.829 10.4-167.2-104.9 137.7 29.2 69.8 17.2 22 23 A Y E -B 29 0A 102 -2,-0.4 7,-0.2 7,-0.3 6,-0.1 -0.826 31.0-100.7-121.1 160.7 27.3 71.0 20.3 23 24 A E > - 0 0 30 5,-2.4 4,-3.1 -2,-0.3 3,-0.3 -0.710 26.1-141.7 -82.1 121.8 28.0 70.9 24.0 24 25 A P T 4 S+ 0 0 25 0, 0.0 332,-0.2 0, 0.0 -1,-0.1 0.726 98.5 47.5 -55.4 -22.4 26.1 68.0 25.6 25 26 A A T 4 S+ 0 0 34 62,-0.4 331,-0.1 3,-0.1 332,-0.1 0.826 130.0 14.0 -89.6 -34.1 25.4 70.1 28.8 26 27 A S T 4 S- 0 0 78 -3,-0.3 3,-0.1 61,-0.2 -1,-0.0 0.638 88.7-125.0-115.8 -21.5 24.1 73.3 27.2 27 28 A G < + 0 0 45 -4,-3.1 3,-0.1 1,-0.3 2,-0.0 0.385 57.3 151.2 89.6 -5.5 23.4 72.6 23.5 28 29 A A - 0 0 42 -5,-0.2 -5,-2.4 -6,-0.1 -1,-0.3 -0.325 53.9-107.2 -63.2 139.2 25.7 75.4 22.5 29 30 A E E - B 0 22A 80 -7,-0.2 -7,-0.3 1,-0.2 -1,-0.1 -0.499 31.4-173.7 -68.7 132.8 27.4 75.0 19.1 30 31 A L E - 0 0 22 -9,-3.9 2,-0.3 1,-0.5 -8,-0.2 0.709 51.7 -84.2 -98.1 -28.8 31.1 74.3 19.6 31 32 A G E - B 0 21A 2 -10,-1.1 -10,-2.6 -30,-0.1 -1,-0.5 -0.958 49.3 -82.6 152.1-160.0 32.1 74.5 15.9 32 33 A S E -aB 3 20A 1 -30,-2.4 -28,-2.6 -2,-0.3 -12,-0.3 -0.952 23.4-152.9-139.5 158.5 32.1 72.0 13.1 33 34 A V E - B 0 19A 0 -14,-2.7 -14,-2.6 -2,-0.3 -28,-0.1 -0.954 36.0 -91.6-128.5 149.3 34.3 69.2 11.7 34 35 A P E - B 0 18A 3 0, 0.0 2,-0.7 0, 0.0 -16,-0.3 -0.194 20.7-143.0 -60.8 151.3 34.6 67.9 8.2 35 36 A A - 0 0 26 -18,-2.3 -18,-0.4 172,-0.1 172,-0.2 -0.837 32.5-146.2-113.2 84.8 32.4 65.1 6.8 36 37 A M - 0 0 11 170,-2.5 2,-0.2 -2,-0.7 172,-0.1 -0.134 0.4-132.1 -56.4 146.5 35.0 63.4 4.6 37 38 A S >> - 0 0 43 1,-0.1 4,-1.9 170,-0.0 3,-1.1 -0.643 28.4-109.3 -95.0 155.8 34.2 61.7 1.3 38 39 A T H 3> S+ 0 0 51 1,-0.3 4,-1.9 -2,-0.2 5,-0.1 0.803 122.5 58.2 -55.0 -28.9 35.5 58.2 0.6 39 40 A E H 3> S+ 0 0 130 1,-0.2 4,-1.2 2,-0.2 -1,-0.3 0.847 105.1 48.7 -70.2 -33.6 37.7 59.9 -2.0 40 41 A E H <> S+ 0 0 59 -3,-1.1 4,-1.4 2,-0.2 -2,-0.2 0.846 108.7 53.3 -73.7 -32.5 39.2 62.0 0.8 41 42 A V H X S+ 0 0 0 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.885 106.1 54.5 -66.0 -38.9 39.7 58.9 2.9 42 43 A D H X S+ 0 0 54 -4,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.835 107.1 50.6 -62.4 -36.6 41.6 57.4 -0.1 43 44 A Y H X S+ 0 0 105 -4,-1.2 4,-1.7 2,-0.2 -1,-0.2 0.801 107.1 52.5 -74.5 -31.2 43.9 60.4 -0.1 44 45 A V H X S+ 0 0 0 -4,-1.4 4,-2.0 2,-0.2 -2,-0.2 0.947 114.6 43.1 -67.4 -46.0 44.7 60.2 3.6 45 46 A Y H X S+ 0 0 1 -4,-2.2 4,-2.2 1,-0.2 5,-0.2 0.866 112.8 50.9 -66.8 -40.5 45.6 56.5 3.1 46 47 A A H X S+ 0 0 60 -4,-2.2 4,-1.3 1,-0.2 -1,-0.2 0.870 110.1 52.4 -65.3 -35.7 47.6 57.1 -0.1 47 48 A S H X S+ 0 0 3 -4,-1.7 4,-1.6 1,-0.2 -2,-0.2 0.923 110.5 46.8 -64.4 -47.0 49.5 59.8 1.7 48 49 A A H X S+ 0 0 0 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.886 110.0 50.3 -64.6 -44.8 50.4 57.6 4.6 49 50 A K H < S+ 0 0 85 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.821 111.3 52.3 -65.1 -28.8 51.6 54.6 2.6 50 51 A K H < S+ 0 0 172 -4,-1.3 4,-0.4 -5,-0.2 -1,-0.2 0.872 113.6 41.8 -73.9 -36.8 53.7 56.9 0.6 51 52 A A H X S+ 0 0 15 -4,-1.6 4,-1.5 149,-0.2 3,-0.3 0.701 94.3 83.2 -84.4 -21.3 55.4 58.4 3.7 52 53 A Q H X S+ 0 0 25 -4,-1.9 4,-3.5 1,-0.2 3,-0.5 0.898 83.8 55.6 -51.3 -54.0 55.9 55.2 5.6 53 54 A P H > S+ 0 0 78 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.898 112.0 43.1 -48.4 -46.7 59.2 54.0 4.0 54 55 A A H 4 S+ 0 0 68 -4,-0.4 4,-0.4 -3,-0.3 -2,-0.2 0.768 114.6 50.4 -71.9 -28.0 61.0 57.3 4.9 55 56 A W H >< S+ 0 0 1 -4,-1.5 3,-1.3 -3,-0.5 -1,-0.2 0.919 111.3 48.3 -74.3 -44.7 59.5 57.3 8.4 56 57 A R H 3< S+ 0 0 74 -4,-3.5 -2,-0.2 1,-0.3 -1,-0.2 0.805 105.1 62.1 -63.8 -27.9 60.6 53.7 8.9 57 58 A A T 3< S+ 0 0 54 -4,-1.4 -1,-0.3 -5,-0.3 -2,-0.2 0.667 85.9 92.9 -73.3 -17.9 64.0 54.8 7.6 58 59 A L S < S- 0 0 38 -3,-1.3 2,-0.2 -4,-0.4 1492,-0.1 -0.197 88.4 -97.8 -68.5 167.5 64.5 57.2 10.4 59 60 A S > - 0 0 2 1,-0.1 4,-1.7 1490,-0.0 3,-0.2 -0.537 29.5-115.1 -84.2 156.8 66.3 56.1 13.6 60 61 A Y H > S+ 0 0 29 1,-0.2 4,-2.0 2,-0.2 3,-0.2 0.930 117.2 53.2 -57.3 -45.8 64.3 55.0 16.6 61 62 A I H > S+ 0 0 63 1489,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.855 104.0 55.3 -60.6 -34.3 65.6 57.9 18.6 62 63 A E H > S+ 0 0 68 1488,-0.3 4,-1.3 1,-0.2 -1,-0.2 0.904 109.9 47.2 -65.0 -38.6 64.6 60.4 15.9 63 64 A R H X S+ 0 0 7 -4,-1.7 4,-1.6 -3,-0.2 -2,-0.2 0.821 110.4 51.5 -72.0 -30.9 61.0 59.1 16.1 64 65 A A H X S+ 0 0 1 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.827 106.2 55.8 -73.7 -30.5 61.1 59.3 19.9 65 66 A A H X S+ 0 0 57 -4,-1.9 4,-1.4 2,-0.2 -2,-0.2 0.851 105.9 50.8 -69.1 -34.8 62.2 62.9 19.7 66 67 A Y H X S+ 0 0 69 -4,-1.3 4,-1.9 2,-0.2 -2,-0.2 0.932 112.2 46.9 -65.4 -47.0 59.3 63.8 17.6 67 68 A L H X S+ 0 0 0 -4,-1.6 4,-2.2 1,-0.2 -2,-0.2 0.823 107.9 54.8 -65.5 -34.9 56.9 62.2 20.0 68 69 A H H X S+ 0 0 47 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.851 106.9 53.2 -67.8 -32.4 58.6 63.9 23.0 69 70 A K H X S+ 0 0 102 -4,-1.4 4,-2.4 2,-0.2 -2,-0.2 0.946 107.6 50.2 -65.1 -46.8 57.9 67.2 21.2 70 71 A V H X S+ 0 0 0 -4,-1.9 4,-2.0 1,-0.2 -2,-0.2 0.901 112.0 47.3 -57.7 -45.4 54.2 66.3 20.8 71 72 A A H X S+ 0 0 0 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.911 110.3 52.2 -64.0 -43.5 53.9 65.5 24.5 72 73 A D H X S+ 0 0 83 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.901 110.0 49.5 -59.9 -40.5 55.7 68.7 25.5 73 74 A I H X S+ 0 0 10 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.888 107.8 53.8 -66.0 -38.4 53.3 70.7 23.4 74 75 A L H < S+ 0 0 0 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.853 108.0 50.2 -63.9 -36.5 50.3 69.0 25.0 75 76 A M H >< S+ 0 0 72 -4,-1.9 3,-0.9 2,-0.2 -1,-0.2 0.885 110.1 50.6 -69.3 -38.7 51.5 69.9 28.4 76 77 A R H 3< S+ 0 0 126 -4,-1.7 3,-0.3 1,-0.2 -2,-0.2 0.919 120.4 34.2 -64.1 -46.7 52.0 73.5 27.3 77 78 A D T 3X S+ 0 0 26 -4,-2.3 4,-2.6 1,-0.2 5,-0.3 0.063 81.7 118.3 -98.4 23.2 48.5 73.7 25.9 78 79 A K H <> S+ 0 0 56 -3,-0.9 4,-1.6 1,-0.2 22,-0.2 0.802 77.8 47.1 -61.7 -29.9 46.7 71.4 28.4 79 80 A E H > S+ 0 0 82 -3,-0.3 4,-1.8 -4,-0.2 -1,-0.2 0.875 113.4 49.8 -77.7 -37.2 44.4 74.2 29.7 80 81 A K H > S+ 0 0 95 2,-0.2 4,-1.2 1,-0.2 3,-0.4 0.980 117.2 37.9 -62.6 -59.6 43.5 75.2 26.2 81 82 A I H X S+ 0 0 2 -4,-2.6 4,-2.4 1,-0.2 3,-0.3 0.879 115.9 55.4 -60.4 -40.6 42.7 71.7 24.9 82 83 A G H X S+ 0 0 0 -4,-1.6 4,-2.1 -5,-0.3 -1,-0.2 0.804 100.9 57.4 -64.6 -32.2 41.1 70.8 28.3 83 84 A A H X S+ 0 0 40 -4,-1.8 4,-1.1 -3,-0.4 -1,-0.2 0.870 113.9 38.5 -67.0 -36.6 38.7 73.7 28.1 84 85 A I H X S+ 0 0 36 -4,-1.2 4,-2.8 -3,-0.3 -2,-0.2 0.865 114.4 52.7 -81.8 -37.8 37.2 72.5 24.8 85 86 A L H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 6,-0.3 0.931 107.3 53.7 -61.8 -44.7 37.3 68.8 25.7 86 87 A S H <>S+ 0 0 5 -4,-2.1 5,-1.3 1,-0.2 4,-0.4 0.910 114.2 42.4 -54.5 -45.3 35.4 69.6 28.9 87 88 A K H <5S+ 0 0 100 -4,-1.1 -62,-0.4 3,-0.2 3,-0.3 0.846 111.7 53.5 -71.0 -39.9 32.7 71.3 26.7 88 89 A E H <5S+ 0 0 0 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.846 123.5 23.4 -69.2 -36.3 32.6 68.8 23.9 89 90 A V T <5S- 0 0 0 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.210 102.5-118.3-116.9 18.9 32.0 65.7 26.0 90 91 A A T 5 + 0 0 0 -4,-0.4 2,-0.4 -3,-0.3 -3,-0.2 0.872 63.7 144.6 47.4 47.5 30.4 67.3 29.2 91 92 A K < - 0 0 4 -5,-1.3 -1,-0.2 -6,-0.3 -2,-0.1 -0.899 60.5 -83.6-113.4 143.7 33.2 66.0 31.4 92 93 A G > - 0 0 10 -2,-0.4 4,-1.3 227,-0.3 224,-0.2 -0.005 37.6-122.3 -42.5 147.2 34.5 68.1 34.3 93 94 A Y H > S+ 0 0 77 222,-2.1 4,-2.0 2,-0.2 3,-0.3 0.940 107.3 47.2 -61.9 -52.1 37.1 70.7 33.5 94 95 A K H > S+ 0 0 144 221,-0.3 4,-1.4 1,-0.3 -1,-0.2 0.868 113.6 48.7 -59.8 -38.0 39.9 69.5 35.8 95 96 A S H > S+ 0 0 57 2,-0.2 4,-1.1 1,-0.2 -1,-0.3 0.774 108.1 55.7 -72.3 -26.6 39.5 65.9 34.7 96 97 A A H X S+ 0 0 0 -4,-1.3 4,-1.5 -3,-0.3 3,-0.3 0.899 107.7 47.4 -70.2 -42.4 39.5 67.1 31.1 97 98 A V H X S+ 0 0 19 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.812 109.3 56.7 -66.3 -31.4 42.8 68.8 31.6 98 99 A S H X S+ 0 0 69 -4,-1.4 4,-2.3 -5,-0.2 -1,-0.2 0.781 100.1 56.9 -71.3 -28.7 43.9 65.5 33.3 99 100 A E H X S+ 0 0 6 -4,-1.1 4,-1.6 -3,-0.3 -2,-0.2 0.949 108.4 46.6 -67.1 -46.0 43.1 63.6 30.2 100 101 A V H X S+ 0 0 0 -4,-1.5 4,-2.2 1,-0.2 -2,-0.2 0.909 112.8 50.0 -59.6 -45.1 45.5 65.7 28.2 101 102 A V H X S+ 0 0 29 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.904 110.3 49.5 -61.1 -42.4 48.1 65.4 30.8 102 103 A R H X S+ 0 0 74 -4,-2.3 4,-1.7 1,-0.2 -1,-0.2 0.770 108.1 55.5 -68.0 -27.1 47.7 61.6 30.9 103 104 A T H X S+ 0 0 0 -4,-1.6 4,-2.5 2,-0.2 5,-0.2 0.938 105.6 49.5 -69.7 -49.4 48.0 61.6 27.1 104 105 A A H X S+ 0 0 1 -4,-2.2 4,-2.7 1,-0.2 5,-0.2 0.915 110.3 53.9 -55.4 -41.9 51.4 63.4 27.2 105 106 A E H X S+ 0 0 77 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.889 110.1 43.7 -60.9 -43.6 52.5 60.8 29.7 106 107 A I H X S+ 0 0 5 -4,-1.7 4,-2.6 2,-0.2 -1,-0.2 0.843 112.9 52.9 -73.9 -30.9 51.6 57.8 27.6 107 108 A I H X S+ 0 0 0 -4,-2.5 4,-1.5 2,-0.2 -2,-0.2 0.917 112.6 44.9 -67.5 -43.1 53.2 59.5 24.5 108 109 A N H X S+ 0 0 42 -4,-2.7 4,-1.3 -5,-0.2 -2,-0.2 0.868 115.3 47.8 -67.8 -38.0 56.4 60.1 26.4 109 110 A Y H X S+ 0 0 23 -4,-2.0 4,-1.9 -5,-0.2 -2,-0.2 0.919 111.5 48.1 -70.0 -44.8 56.4 56.6 27.9 110 111 A A H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.834 107.8 59.2 -64.6 -31.0 55.7 54.8 24.6 111 112 A A H X S+ 0 0 0 -4,-1.5 4,-0.7 -5,-0.2 -1,-0.2 0.894 112.2 37.0 -64.6 -40.6 58.5 57.0 23.1 112 113 A E H < S+ 0 0 27 -4,-1.3 -1,-0.2 2,-0.2 -2,-0.2 0.695 116.2 53.6 -84.9 -21.1 61.1 55.6 25.5 113 114 A E H >< S+ 0 0 15 -4,-1.9 3,-1.4 1,-0.2 -2,-0.2 0.889 105.5 54.8 -78.2 -41.1 59.6 52.1 25.5 114 115 A G H >< S+ 0 0 2 -4,-2.4 3,-0.9 1,-0.3 -2,-0.2 0.763 100.3 55.6 -66.1 -29.9 59.8 51.8 21.7 115 116 A L T 3< S+ 0 0 6 -4,-0.7 -1,-0.3 1,-0.2 1433,-0.1 0.394 106.5 57.8 -85.1 10.2 63.4 52.6 21.2 116 117 A R T < + 0 0 21 -3,-1.4 2,-0.6 -56,-0.1 -1,-0.2 0.035 68.8 121.0-124.3 22.7 64.1 49.7 23.6 117 118 A M < - 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l 01852E 4 21,-0.2 -150,-0.7 20,-0.2 2,-0.3 -0.794 51.6-159.3-138.4 179.9 66.2 33.8 53.7 1831 407 D A E -jl16801853E 0 21,-1.5 23,-3.3 -2,-0.2 2,-0.4 -0.979 10.0-140.8-160.7 155.4 63.4 34.6 56.2 1832 408 D S E -jl16811854E 0 -152,-2.1 -150,-2.8 -2,-0.3 2,-0.5 -0.956 8.2-163.3-122.8 142.4 59.8 33.5 57.0 1833 409 D I E -jl16821855E 0 21,-2.3 23,-2.2 -2,-0.4 2,-0.7 -0.988 5.2-160.2-127.7 120.0 57.0 35.8 57.9 1834 410 D F E +j 1683 0E 0 -152,-3.0 -150,-2.1 -2,-0.5 2,-0.3 -0.897 44.2 105.6-104.3 110.5 54.0 34.2 59.5 1835 411 D T - 0 0 0 -2,-0.7 -148,-0.1 -152,-0.1 -147,-0.1 -0.960 65.5-128.0-169.2 168.8 50.9 36.4 59.2 1836 412 D N S S+ 0 0 85 -2,-0.3 2,-0.9 1,-0.1 -1423,-0.4 0.310 84.8 93.1-112.0 5.7 47.7 36.7 57.3 1837 413 D D > + 0 0 59 1,-0.2 4,-2.7 -1425,-0.1 5,-0.1 -0.808 50.4 177.1-103.2 91.3 48.3 40.3 56.3 1838 414 D F H > S+ 0 0 3 -2,-0.9 4,-2.9 -1427,-0.4 5,-0.2 0.904 75.8 52.2 -63.1 -48.8 49.9 40.0 52.8 1839 415 D P H > S+ 0 0 12 0, 0.0 -890,-1.9 0, 0.0 4,-1.3 0.898 116.7 42.7 -57.9 -36.0 50.3 43.7 51.9 1840 416 D R H > S+ 0 0 85 2,-0.2 4,-2.4 -892,-0.2 -2,-0.2 0.920 111.7 53.9 -73.1 -44.7 52.0 44.2 55.3 1841 417 D A H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.864 108.6 50.5 -57.4 -36.1 54.0 41.0 54.8 1842 418 D F H X S+ 0 0 2 -4,-2.9 4,-1.2 2,-0.2 -1,-0.2 0.845 108.1 52.0 -72.2 -32.9 55.2 42.4 51.5 1843 419 D G H X S+ 0 0 1 -4,-1.3 4,-0.7 -894,-0.4 -2,-0.2 0.890 111.9 46.2 -69.1 -38.5 56.2 45.7 53.0 1844 420 D I H >X S+ 0 0 5 -4,-2.4 4,-1.6 -895,-0.2 3,-1.5 0.941 107.3 57.3 -66.7 -48.5 58.2 43.8 55.7 1845 421 D A H 3< S+ 0 0 1 -4,-2.4 5,-0.3 1,-0.3 -1,-0.2 0.814 100.7 59.1 -52.8 -33.2 59.8 41.6 53.1 1846 422 D E H 3< S+ 0 0 29 -4,-1.2 -1,-0.3 1,-0.2 -2,-0.2 0.823 109.6 42.7 -66.2 -32.0 61.1 44.7 51.3 1847 423 D Q H << S+ 0 0 94 -3,-1.5 2,-0.4 -4,-0.7 -2,-0.2 0.668 89.3 100.9 -87.9 -21.9 63.0 45.7 54.4 1848 424 D L S < S- 0 0 1 -4,-1.6 2,-2.1 1,-0.1 -17,-0.1 -0.524 72.9-136.7 -69.9 123.0 64.4 42.3 55.3 1849 425 D E + 0 0 90 -2,-0.4 2,-0.2 -22,-0.1 22,-0.2 -0.483 65.6 105.2 -81.4 72.5 68.0 42.1 54.2 1850 426 D V S S- 0 0 12 -2,-2.1 -21,-0.2 -5,-0.3 -20,-0.2 -0.795 75.0-117.8-139.0 178.4 67.8 38.6 52.7 1851 427 D G S S+ 0 0 1 -22,-2.8 -433,-2.7 -23,-0.3 2,-0.4 0.916 94.6 16.0 -87.2 -51.6 67.5 36.7 49.4 1852 428 D T E -hl14181830E 2 -23,-1.4 -21,-1.5 17,-0.2 2,-0.5 -0.966 59.3-158.4-129.2 142.9 64.1 35.1 49.8 1853 429 D V E -hl14191831E 0 -435,-2.9 -433,-1.8 -2,-0.4 2,-0.5 -0.978 11.3-157.1-120.4 119.2 61.2 35.7 52.0 1854 430 D H E -hl14201832E 3 -23,-3.3 -21,-2.3 -2,-0.5 2,-0.7 -0.852 8.5-145.6 -99.1 124.8 58.7 32.9 52.5 1855 431 D I E S- l 01833E 2 -435,-2.3 -433,-0.5 -2,-0.5 -21,-0.2 -0.809 80.5 -14.1 -94.8 114.9 55.2 33.8 53.6 1856 432 D N S S+ 0 0 25 -23,-2.2 2,-0.3 -2,-0.7 -1,-0.2 0.809 121.5 88.3 65.7 33.7 53.6 31.2 55.9 1857 433 D N S S- 0 0 22 -3,-0.5 -1,-0.2 -24,-0.2 -24,-0.2 -0.970 82.4-103.2-151.6 156.8 56.2 28.6 55.1 1858 434 D K - 0 0 56 -2,-0.3 -162,-0.1 1,-0.1 -27,-0.1 -0.369 51.7 -89.7 -76.9 164.6 59.6 27.7 56.4 1859 435 D T + 0 0 1 -2,-0.1 2,-0.3 -29,-0.1 -148,-0.2 -0.298 56.6 155.2 -73.6 159.1 62.7 28.8 54.4 1860 436 D Q - 0 0 32 2,-0.1 -150,-0.1 -150,-0.1 -161,-0.0 -0.951 57.5-120.8-176.9 157.4 64.1 26.6 51.7 1861 437 D R + 0 0 26 -2,-0.3 5,-0.2 -152,-0.2 -1,-0.1 0.700 66.5 165.5 -77.3 -18.8 66.2 26.6 48.5 1862 438 D G + 0 0 8 -3,-0.1 4,-0.1 2,-0.1 -2,-0.1 0.524 44.1 16.4 -6.5 119.5 62.9 25.0 47.3 1863 439 D T S > S- 0 0 6 1,-0.1 3,-1.9 2,-0.1 -788,-0.1 0.894 74.0-139.9 67.6 97.6 62.1 24.7 43.6 1864 440 D D T 3 S+ 0 0 3 1,-0.3 17,-3.1 16,-0.1 18,-0.2 0.405 96.4 70.4 -66.1 -1.2 65.4 25.1 41.9 1865 441 D N T 3 S+ 0 0 12 15,-0.2 -1,-0.3 16,-0.1 17,-0.2 0.662 86.9 85.8 -87.9 -16.6 63.9 27.2 39.1 1866 442 D F S < S- 0 0 5 -3,-1.9 15,-0.1 -5,-0.2 17,-0.1 -0.488 96.1 -96.2 -79.6 148.4 63.5 29.9 41.7 1867 443 D P - 0 0 3 0, 0.0 2,-0.4 0, 0.0 13,-0.3 -0.352 36.7-163.7 -66.2 147.7 66.3 32.3 42.4 1868 444 D F B +H 1879 0h 7 11,-1.4 11,-3.8 12,-0.1 2,-0.3 -0.955 28.2 132.2-136.8 115.1 68.5 31.4 45.4 1869 445 D L - 0 0 7 -2,-0.4 2,-0.3 9,-0.2 -18,-0.3 -0.956 37.4-138.2-153.8 166.2 70.8 34.1 46.8 1870 446 D G - 0 0 15 7,-0.5 -41,-0.3 -2,-0.3 2,-0.2 -0.937 14.4-132.1-131.3 154.8 71.8 35.5 50.1 1871 447 D A E > -G 1828 0g 29 -43,-4.3 3,-1.9 -2,-0.3 -43,-0.6 -0.547 69.1 -3.5-100.1 170.3 72.5 39.1 51.3 1872 448 D K E > S-G 1827 0g 73 1,-0.3 3,-0.8 -2,-0.2 -45,-0.2 -0.231 135.5 -9.2 52.1-126.2 75.4 40.5 53.4 1873 449 D K T 3 S+ 0 0 41 -47,-2.8 -197,-0.4 1,-0.2 -1,-0.3 0.102 115.4 89.3 -91.7 24.9 77.8 37.7 54.4 1874 450 D S T < S- 0 0 1 -3,-1.9 -199,-2.4 1,-0.3 2,-0.3 0.459 99.5 -61.7 -97.2 -3.1 75.5 34.9 53.2 1875 451 D G E < -B 1674 0c 10 -3,-0.8 2,-0.3 -201,-0.2 -1,-0.3 -0.939 38.0 -99.1 155.0-177.5 77.0 34.9 49.7 1876 452 D A E S+B 1673 0c 19 -203,-2.5 -203,-1.9 -2,-0.3 -682,-0.1 -0.988 76.3 17.8-143.5 131.4 77.8 36.3 46.3 1877 453 D G S S- 0 0 44 -2,-0.3 2,-0.5 -205,-0.2 -7,-0.5 -0.048 78.8 -90.5 93.0 161.8 75.9 35.8 43.1 1878 454 D I - 0 0 43 5,-0.2 -9,-0.2 -9,-0.1 9,-0.2 -0.962 41.9-174.9-116.8 125.6 72.4 34.5 42.4 1879 455 D Q B +H 1868 0h 4 -11,-3.8 -11,-1.4 -2,-0.5 4,-0.2 -0.196 32.3 115.2-104.9-159.7 71.7 30.9 41.9 1880 456 D G S > S- 0 0 4 -13,-0.3 4,-2.4 -294,-0.2 3,-0.4 -0.047 86.0 -74.8 103.7 145.3 68.7 28.8 40.9 1881 457 D V H > S+ 0 0 0 -17,-3.1 4,-2.1 1,-0.2 3,-0.3 0.875 129.9 41.4 -41.6 -67.0 69.1 27.0 37.5 1882 458 D K H > S+ 0 0 22 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.823 117.3 48.3 -53.6 -38.5 68.6 29.8 35.0 1883 459 D Y H > S+ 0 0 20 -3,-0.4 4,-2.4 2,-0.2 -1,-0.2 0.857 107.9 54.8 -72.6 -35.1 70.7 32.3 37.1 1884 460 D S H X S+ 0 0 3 -4,-2.4 4,-1.7 -3,-0.3 -2,-0.2 0.928 110.0 47.3 -61.6 -47.4 73.5 29.8 37.6 1885 461 D I H >< S+ 0 0 1 -4,-2.1 3,-0.6 -5,-0.2 -2,-0.2 0.957 112.5 47.8 -59.9 -52.1 73.8 29.3 33.8 1886 462 D E H >< S+ 0 0 68 -4,-2.2 3,-1.0 1,-0.2 -1,-0.2 0.868 111.7 53.0 -56.2 -37.5 73.7 33.1 33.2 1887 463 D A H 3< S+ 0 0 38 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.780 108.3 48.1 -70.3 -30.8 76.4 33.5 35.9 1888 464 D M T << S+ 0 0 0 -4,-1.7 -320,-1.1 -3,-0.6 2,-0.3 0.050 105.5 69.6-101.9 26.3 78.8 31.0 34.4 1889 465 D T E < - R 01567C 13 -3,-1.0 2,-0.2 -322,-0.2 -324,-0.0 -0.898 62.5-156.8-133.3 163.4 78.6 32.3 30.9 1890 466 D T E - R 01566C 44 -324,-4.2 -324,-2.0 -2,-0.3 2,-0.3 -0.588 20.8-105.8-126.3-167.8 79.8 35.5 29.2 1891 467 D V E - R 01565C 14 -326,-0.3 2,-0.5 -2,-0.2 -326,-0.2 -0.938 13.3-159.8-130.4 148.8 78.9 37.4 26.1 1892 468 D K E - R 01564C 11 -328,-2.4 -328,-2.2 -2,-0.3 2,-0.5 -0.967 15.0-162.5-127.8 111.0 80.4 37.9 22.7 1893 469 D S E -pR13771563C 0 -517,-2.2 -515,-2.7 -2,-0.5 2,-0.5 -0.843 5.2-170.2-100.3 127.0 79.2 40.9 20.9 1894 470 D V E -pR13781562C 5 -332,-1.9 -332,-2.5 -2,-0.5 2,-0.4 -0.967 8.7-168.4-118.2 115.3 79.7 41.2 17.1 1895 471 D V E +pR13791561C 1 -517,-1.8 -515,-2.2 -2,-0.5 2,-0.3 -0.891 15.9 152.6-110.1 131.5 78.9 44.6 15.6 1896 472 D F E - R 01560C 2 -336,-1.6 -336,-2.0 -2,-0.4 2,-0.4 -0.937 36.8-111.7-146.5 167.2 78.6 45.4 11.9 1897 473 D D E - R 01559C 35 -517,-0.4 2,-0.4 -2,-0.3 -338,-0.2 -0.855 21.1-134.0-109.0 141.4 76.8 47.9 9.6 1898 474 D I 0 0 2 -340,-2.4 -1008,-0.2 -2,-0.4 -1010,-0.0 -0.766 360.0 360.0 -93.7 132.3 74.1 47.1 7.1 1899 475 D K 0 0 159 -1010,-0.7 -1006,-0.4 -2,-0.4 -1005,-0.2 -0.819 360.0 360.0-102.4 360.0 74.3 48.6 3.6