==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-FEB-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 09-FEB-10 2X5J . COMPND 2 MOLECULE: D-ERYTHROSE-4-PHOSPHATE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR S.MONIOT,C.DIDIERJEAN,S.BOSCHI-MULLER,G.BRANLANT,C.CORBIER . 1310 8 4 0 4 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 47567.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 968 73.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 170 13.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 166 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 . 5 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 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 . 1 0.1 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 . 136 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 123 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 310 23.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 1.0 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 4 0 0 0 4 7 1 0 3 5 0 0 0 7 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 4 8 12 0 4 3 1 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 . 0 2 5 8 0 3 0 8 0 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 . 1 0 0 0 0 3 1 4 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 0 O T 0 0 114 0, 0.0 2,-0.4 0, 0.0 28,-0.2 0.000 360.0 360.0 360.0 132.7 71.1 -21.4 17.5 2 1 O V E -a 29 0A 7 26,-3.2 28,-3.0 91,-0.0 2,-0.7 -0.661 360.0-141.6 -76.6 127.4 71.4 -22.0 21.2 3 2 O R E -a 30 0A 98 -2,-0.4 90,-2.4 88,-0.3 91,-1.8 -0.864 25.8-176.7 -93.7 115.4 69.5 -25.1 22.2 4 3 O V E -ab 31 94A 4 26,-2.8 28,-2.6 -2,-0.7 29,-0.9 -0.922 14.8-164.5-117.4 139.5 67.9 -24.5 25.6 5 4 O A E -ab 33 95A 0 89,-1.6 91,-3.1 -2,-0.4 2,-0.5 -0.925 15.6-140.2-113.4 148.6 65.8 -26.9 27.8 6 5 O I E -ab 34 96A 0 27,-2.4 29,-3.1 -2,-0.3 2,-0.6 -0.941 6.2-158.8-116.1 128.9 63.7 -25.6 30.7 7 6 O N E S+ab 35 97A 2 89,-1.9 91,-2.5 -2,-0.5 92,-0.4 -0.907 71.2 17.5-106.6 112.2 63.3 -27.3 34.0 8 7 O G - 0 0 6 27,-3.3 90,-0.2 -2,-0.6 28,-0.2 0.469 62.7-145.0 96.7 122.0 60.2 -26.3 35.9 9 8 O F + 0 0 1 4,-0.1 -1,-0.1 3,-0.1 27,-0.1 -0.150 52.7 130.7-111.9 40.2 57.3 -24.6 34.1 10 9 O G S > S- 0 0 28 88,-0.2 4,-2.0 4,-0.0 5,-0.2 0.111 83.4 -68.0 -76.8-167.4 56.2 -22.3 36.9 11 10 O R H > S+ 0 0 72 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.932 135.9 50.6 -55.6 -47.3 55.7 -18.6 36.3 12 11 O I H > S+ 0 0 32 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.957 110.4 47.3 -55.2 -56.2 59.4 -18.0 35.7 13 12 O G H > S+ 0 0 0 85,-0.3 4,-1.6 1,-0.2 -1,-0.2 0.829 114.2 50.1 -54.3 -35.3 59.8 -20.8 33.1 14 13 O R H X S+ 0 0 20 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.877 109.8 47.2 -72.6 -43.8 56.6 -19.5 31.4 15 14 O N H X S+ 0 0 0 -4,-2.6 4,-3.2 2,-0.2 5,-0.3 0.848 106.9 59.8 -65.0 -35.2 57.7 -15.9 31.2 16 15 O V H X S+ 0 0 2 -4,-2.7 4,-2.1 -5,-0.3 -2,-0.2 0.963 110.2 42.1 -57.0 -48.5 61.1 -17.1 29.9 17 16 O V H X S+ 0 0 2 -4,-1.6 4,-1.7 2,-0.2 -2,-0.2 0.923 115.5 48.5 -59.8 -49.5 59.1 -18.7 26.9 18 17 O R H X S+ 0 0 3 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.949 114.3 46.6 -55.8 -48.4 56.8 -15.7 26.5 19 18 O A H X S+ 0 0 0 -4,-3.2 4,-2.3 1,-0.2 6,-0.4 0.872 104.4 61.9 -64.0 -37.7 59.8 -13.3 26.5 20 19 O L H < S+ 0 0 1 -4,-2.1 6,-0.5 -5,-0.3 5,-0.5 0.952 113.5 35.2 -53.4 -49.9 61.7 -15.5 24.1 21 20 O Y H >< S+ 0 0 10 -4,-1.7 3,-0.8 1,-0.2 -2,-0.2 0.897 116.6 52.8 -70.6 -40.8 59.0 -15.0 21.4 22 21 O E H 3< S+ 0 0 72 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.829 108.6 47.5 -70.4 -35.5 58.1 -11.4 22.3 23 22 O S T 3< S- 0 0 60 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.529 110.8-116.8 -82.4 -7.4 61.7 -9.9 22.1 24 22AO G S X S+ 0 0 45 -3,-0.8 3,-2.0 -4,-0.4 -3,-0.1 0.357 74.5 133.3 86.2 -4.1 62.4 -11.7 18.8 25 22BO R G >> + 0 0 55 -5,-0.5 4,-2.2 -6,-0.4 3,-1.6 0.396 42.4 96.8 -60.0 2.7 65.2 -13.8 20.3 26 22CO R G 34 S+ 0 0 69 -6,-0.5 -1,-0.3 1,-0.3 -5,-0.1 0.840 73.3 70.1 -59.8 -30.8 63.7 -16.8 18.6 27 23 O A G <4 S+ 0 0 84 -3,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.693 113.9 20.7 -55.6 -25.9 66.4 -15.9 16.0 28 24 O E T <4 S+ 0 0 90 -3,-1.6 -26,-3.2 1,-0.2 2,-0.4 0.584 121.5 51.9-122.9 -18.0 69.2 -17.1 18.4 29 25 O I E < -a 2 0A 0 -4,-2.2 2,-0.4 -28,-0.2 -1,-0.2 -0.972 56.1-169.0-123.0 139.4 67.6 -19.4 20.9 30 26 O T E -a 3 0A 25 -28,-3.0 -26,-2.8 -2,-0.4 2,-0.7 -0.996 18.1-140.9-120.2 132.0 65.5 -22.4 20.4 31 27 O V E +a 4 0A 4 -2,-0.4 -26,-0.2 -28,-0.2 3,-0.1 -0.838 26.5 171.1 -88.6 116.8 63.6 -24.1 23.2 32 28 O V E + 0 0 15 -28,-2.6 43,-1.8 -2,-0.7 2,-0.3 0.670 58.0 12.0 -99.3 -22.2 63.8 -27.8 22.5 33 29 O A E -ac 5 75A 0 -29,-0.9 -27,-2.4 41,-0.2 2,-0.4 -0.997 49.6-159.5-156.3 151.2 62.4 -29.3 25.7 34 30 O I E -ac 6 76A 1 41,-2.7 43,-2.8 -2,-0.3 2,-0.5 -0.998 8.6-159.4-130.1 131.5 60.5 -28.6 29.0 35 31 O N E +ac 7 77A 7 -29,-3.1 -27,-3.3 -2,-0.4 2,-0.3 -0.971 26.4 153.9-108.9 123.2 60.5 -30.8 32.1 36 32 O E - 0 0 25 41,-1.8 4,-0.1 -2,-0.5 -2,-0.1 -0.992 42.2-141.3-146.9 135.3 57.5 -30.2 34.3 37 33 O L S S+ 0 0 90 -2,-0.3 -1,-0.1 2,-0.1 43,-0.1 0.888 84.3 74.7 -69.1 -35.1 56.0 -32.6 36.8 38 34 O A S S- 0 0 26 1,-0.1 -2,-0.1 -3,-0.1 -29,-0.0 -0.281 97.2 -80.5 -77.7 164.8 52.5 -31.5 36.0 39 36 O D > - 0 0 97 1,-0.1 4,-1.7 4,-0.0 3,-0.2 -0.193 30.6-120.0 -71.6 152.0 50.6 -32.4 32.7 40 37 O A H > S+ 0 0 4 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.702 108.7 59.7 -68.3 -22.9 51.1 -30.7 29.3 41 38 O A H > S+ 0 0 38 2,-0.2 4,-2.9 3,-0.2 -1,-0.2 0.953 107.6 47.1 -66.2 -49.3 47.4 -29.5 28.9 42 39 O G H > S+ 0 0 5 -3,-0.2 4,-2.7 1,-0.2 5,-0.2 0.919 113.1 50.6 -50.3 -50.6 47.8 -27.4 32.2 43 40 O M H X S+ 0 0 0 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.890 111.9 45.4 -54.7 -48.3 51.2 -26.1 30.8 44 41 O A H X S+ 0 0 10 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.940 113.8 51.5 -65.1 -43.4 49.7 -25.1 27.5 45 42 O H H X S+ 0 0 20 -4,-2.9 4,-2.5 1,-0.2 -2,-0.2 0.933 112.0 43.5 -57.1 -51.2 46.8 -23.5 29.3 46 43 O L H < S+ 0 0 5 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.839 109.5 57.5 -70.3 -32.7 48.8 -21.4 31.6 47 44 O L H < S+ 0 0 0 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.917 112.9 40.7 -59.6 -44.9 51.2 -20.4 28.9 48 45 O K H < S+ 0 0 37 -4,-2.1 8,-2.3 -5,-0.1 2,-0.5 0.920 115.6 50.3 -70.0 -46.3 48.3 -18.9 26.9 49 46 O Y < + 0 0 30 -4,-2.5 2,-0.4 6,-0.2 6,-0.2 -0.840 63.6 163.8-110.2 128.4 46.3 -17.3 29.8 50 47 O D > - 0 0 8 -2,-0.5 4,-0.9 4,-0.4 1131,-0.0 -0.994 35.0-149.1-147.9 133.4 47.8 -15.0 32.3 51 48 O T T 4 S+ 0 0 23 -2,-0.4 -1,-0.1 2,-0.2 4,-0.1 0.889 102.5 33.6 -68.7 -40.0 46.4 -12.5 34.9 52 49 O S T 4 S+ 0 0 26 1,-0.1 -1,-0.1 2,-0.1 -2,-0.0 0.906 127.2 34.9 -80.8 -47.2 49.5 -10.1 34.7 53 50 O H T 4 S- 0 0 18 1,-0.2 -2,-0.2 225,-0.0 -1,-0.1 0.222 95.0-137.9-102.5 14.4 50.5 -10.5 31.1 54 51 O G < - 0 0 33 -4,-0.9 2,-0.4 2,-0.1 -4,-0.4 -0.094 56.6 -16.7 63.7-164.4 47.2 -10.9 29.1 55 52 O R S S- 0 0 102 881,-0.2 -6,-0.2 -6,-0.2 2,-0.1 -0.634 72.8-117.6 -79.6 124.7 46.6 -13.4 26.3 56 53 O F - 0 0 2 -8,-2.3 4,-0.1 -2,-0.4 -1,-0.1 -0.420 19.6-139.8 -63.5 132.3 49.9 -14.7 24.7 57 54 O A S S+ 0 0 71 -2,-0.1 -1,-0.1 2,-0.1 3,-0.1 0.893 77.1 77.1 -65.0 -46.9 50.1 -13.7 21.1 58 55 O W S S- 0 0 89 1,-0.1 2,-0.3 -40,-0.1 -2,-0.0 -0.312 93.9 -99.2 -66.7 148.2 51.4 -16.9 19.6 59 56 O E - 0 0 125 1,-0.0 11,-1.8 -2,-0.0 2,-0.6 -0.532 35.9-154.6 -69.3 130.3 49.1 -19.9 19.0 60 57 O V E +D 69 0A 31 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.935 20.3 165.4-115.0 115.9 49.4 -22.5 21.8 61 58 O R E -D 68 0A 119 7,-1.7 7,-2.7 -2,-0.6 2,-0.4 -0.928 19.9-153.4-121.0 150.3 48.5 -26.1 21.1 62 59 O Q E +D 67 0A 70 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.996 15.7 172.4-127.9 134.0 49.2 -29.2 23.1 63 60 O E E > -D 66 0A 87 3,-1.8 3,-0.8 -2,-0.4 2,-0.2 -0.788 58.2 -56.1-146.5 98.6 49.5 -32.7 21.6 64 61 O R T 3 S- 0 0 182 -2,-0.3 -24,-0.1 1,-0.2 -1,-0.1 -0.541 118.7 -19.9 63.3-130.3 50.7 -35.7 23.5 65 62 O D T 3 S+ 0 0 83 -2,-0.2 11,-3.1 -3,-0.1 2,-0.3 -0.056 121.8 94.4 -98.4 31.6 54.1 -35.0 25.1 66 63 O Q E < -DE 63 75A 55 -3,-0.8 -3,-1.8 9,-0.2 2,-0.4 -0.916 58.4-157.2-115.7 147.8 54.7 -32.2 22.6 67 64 O L E -DE 62 74A 2 7,-1.9 7,-1.8 -2,-0.3 2,-0.6 -0.998 11.2-151.0-127.3 129.0 54.0 -28.5 23.1 68 65 O F E +DE 61 73A 32 -7,-2.7 -7,-1.7 -2,-0.4 2,-0.6 -0.882 15.8 178.8-111.7 116.7 53.5 -26.2 20.1 69 66 O V E > S-DE 60 72A 0 3,-1.9 3,-2.9 -2,-0.6 2,-0.4 -0.961 72.4 -47.0-114.8 118.0 54.4 -22.5 20.1 70 67 O G T 3 S- 0 0 31 -11,-1.8 -9,-0.1 -2,-0.6 -2,-0.0 -0.506 127.2 -22.9 56.4-114.7 53.7 -21.0 16.7 71 68 O D T 3 S+ 0 0 170 -2,-0.4 2,-0.3 2,-0.0 -1,-0.3 0.436 117.0 110.2 -93.7 -4.2 55.3 -23.5 14.3 72 69 O D E < - E 0 69A 40 -3,-2.9 -3,-1.9 1,-0.0 2,-0.4 -0.567 54.4-151.3 -89.6 134.3 57.7 -24.9 17.0 73 70 O A E - E 0 68A 50 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.838 11.5-170.6 -97.2 138.4 57.5 -28.3 18.7 74 71 O I E - E 0 67A 1 -7,-1.8 -7,-1.9 -2,-0.4 -41,-0.2 -0.991 21.8-128.2-128.8 119.7 58.8 -28.6 22.3 75 72 O R E -cE 33 66A 83 -43,-1.8 -41,-2.7 -2,-0.4 2,-0.5 -0.505 22.0-148.7 -66.5 136.9 59.2 -32.1 23.9 76 73 O V E -c 34 0A 2 -11,-3.1 2,-0.3 -43,-0.2 -41,-0.2 -0.924 16.8-174.0-111.3 128.5 57.5 -32.3 27.3 77 74 O L E -c 35 0A 13 -43,-2.8 -41,-1.8 -2,-0.5 8,-0.0 -0.762 23.2-158.8-117.5 159.8 59.0 -34.5 29.9 78 75 O H + 0 0 65 -2,-0.3 2,-0.2 -43,-0.2 -43,-0.1 -0.082 34.1 152.9-130.3 39.6 57.9 -35.6 33.4 79 76 O E - 0 0 68 1,-0.1 -2,-0.1 3,-0.1 3,-0.0 -0.469 26.9-171.7 -72.4 133.0 61.2 -36.7 35.0 80 77 O R S S+ 0 0 189 -2,-0.2 2,-0.4 1,-0.1 -1,-0.1 0.558 74.4 60.0 -99.6 -13.7 61.4 -36.4 38.8 81 78 O S S > S- 0 0 57 1,-0.1 3,-0.9 0, 0.0 4,-0.2 -0.939 75.1-140.7-116.0 142.4 65.1 -37.3 38.8 82 79 O L G > S+ 0 0 6 -2,-0.4 3,-1.3 1,-0.2 -1,-0.1 0.805 94.4 69.4 -66.8 -33.1 67.8 -35.3 37.0 83 80 O Q G 3 S+ 0 0 139 1,-0.2 -1,-0.2 3,-0.1 -4,-0.0 0.676 97.0 51.0 -61.2 -22.1 69.7 -38.4 35.9 84 81 O S G < S+ 0 0 78 -3,-0.9 -1,-0.2 2,-0.1 -2,-0.2 0.379 76.0 121.4-104.8 5.7 67.1 -39.5 33.4 85 82 O L < - 0 0 5 -3,-1.3 2,-1.5 -4,-0.2 3,-0.4 -0.524 66.3-129.4 -69.1 131.4 66.6 -36.2 31.5 86 83 O P > + 0 0 23 0, 0.0 4,-1.9 0, 0.0 5,-0.2 -0.152 58.5 138.2 -80.8 44.3 67.4 -36.7 27.7 87 84 O W H >> + 0 0 0 -2,-1.5 5,-1.9 27,-0.3 4,-0.7 0.784 69.3 52.7 -63.8 -31.0 69.9 -33.8 27.4 88 85 O R H >45S+ 0 0 171 26,-1.4 3,-1.4 -3,-0.4 -1,-0.2 0.988 108.2 48.6 -64.9 -60.4 72.4 -35.7 25.2 89 86 O E H 345S+ 0 0 151 1,-0.3 -2,-0.2 2,-0.1 -1,-0.2 0.877 117.6 43.4 -40.2 -46.7 69.8 -36.9 22.6 90 87 O L H 3<5S- 0 0 22 -4,-1.9 -1,-0.3 2,-0.0 -2,-0.2 0.550 104.6-130.0 -87.4 -9.2 68.5 -33.3 22.4 91 88 O G T <<5 - 0 0 22 -3,-1.4 -88,-0.3 -4,-0.7 -3,-0.2 0.877 30.8-164.4 64.1 41.7 71.9 -31.6 22.3 92 89 O V < - 0 0 0 -5,-1.9 25,-1.5 1,-0.2 -1,-0.2 -0.382 19.7-176.3 -62.9 124.4 71.2 -29.1 25.1 93 90 O D S S+ 0 0 35 -90,-2.4 25,-2.3 1,-0.3 2,-0.4 0.860 75.3 14.8 -82.7 -45.6 73.6 -26.2 25.3 94 91 O V E -bf 4 118A 1 -91,-1.8 -89,-1.6 23,-0.2 2,-0.5 -0.975 62.6-151.1-135.3 120.9 72.0 -24.6 28.4 95 92 O V E -bf 5 119A 0 23,-2.9 25,-2.8 -2,-0.4 2,-0.8 -0.782 11.5-154.9 -77.0 129.6 69.5 -25.9 30.9 96 93 O L E -bf 6 120A 1 -91,-3.1 -89,-1.9 -2,-0.5 2,-1.0 -0.871 12.1-161.0-100.0 94.1 67.5 -23.0 32.3 97 94 O D E +bf 7 121A 0 23,-1.3 25,-2.1 -2,-0.8 3,-0.3 -0.681 22.8 164.3 -82.9 103.9 66.5 -24.6 35.7 98 95 O C + 0 0 11 -91,-2.5 -85,-0.3 -2,-1.0 -86,-0.2 0.161 40.6 108.3-105.7 15.6 63.5 -22.5 36.8 99 96 O T S S- 0 0 41 -92,-0.4 -1,-0.2 3,-0.1 -91,-0.1 0.784 72.2-141.1 -68.4 -25.6 62.3 -24.9 39.5 100 97 O G S S+ 0 0 42 -3,-0.3 -1,-0.1 2,-0.3 3,-0.1 0.603 90.7 70.2 70.3 10.9 63.4 -22.7 42.4 101 98 O V S S+ 0 0 112 1,-0.3 2,-0.7 22,-0.0 3,-0.1 0.632 78.7 67.9-132.2 -29.4 64.5 -26.0 44.1 102 99 O Y + 0 0 51 1,-0.1 -2,-0.3 5,-0.1 -1,-0.3 -0.852 57.0 131.8 -90.5 111.1 67.5 -27.3 42.2 103 100 O G + 0 0 8 -2,-0.7 23,-3.7 -3,-0.1 2,-0.2 0.277 34.4 103.5-140.3 8.1 70.3 -24.8 43.0 104 101 O S S > S- 0 0 22 21,-0.2 4,-1.8 -3,-0.1 3,-0.5 -0.503 77.7-111.6 -96.2 164.3 73.4 -26.6 44.1 105 102 O R H > S+ 0 0 64 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.860 119.6 52.7 -55.3 -38.8 76.7 -27.4 42.4 106 103 O E H > S+ 0 0 120 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.694 104.8 54.3 -77.5 -19.5 75.7 -31.1 42.3 107 104 O H H > S+ 0 0 62 -3,-0.5 4,-1.5 2,-0.2 -1,-0.2 0.888 110.0 47.6 -74.0 -40.4 72.3 -30.3 40.7 108 105 O G H X S+ 0 0 0 -4,-1.8 4,-2.5 2,-0.2 3,-0.3 0.929 110.3 53.0 -60.2 -47.2 74.3 -28.5 38.0 109 106 O E H X S+ 0 0 71 -4,-2.5 4,-2.8 1,-0.2 -1,-0.2 0.856 106.9 51.9 -59.5 -35.8 76.6 -31.5 37.7 110 107 O A H X S+ 0 0 17 -4,-1.4 4,-1.5 2,-0.2 -1,-0.2 0.843 109.4 49.7 -71.2 -30.8 73.6 -33.9 37.3 111 108 O H H <>S+ 0 0 0 -4,-1.5 5,-2.1 -3,-0.3 -2,-0.2 0.948 114.4 44.6 -67.7 -48.8 72.3 -31.7 34.4 112 109 O I H ><5S+ 0 0 26 -4,-2.5 3,-2.5 3,-0.2 -2,-0.2 0.934 110.1 54.8 -56.0 -50.2 75.6 -31.7 32.7 113 110 O A H 3<5S+ 0 0 68 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.845 103.5 56.5 -56.1 -37.9 76.1 -35.5 33.3 114 111 O A T 3<5S- 0 0 10 -4,-1.5 -26,-1.4 -5,-0.1 -1,-0.3 0.442 135.8 -87.5 -74.6 -3.1 72.7 -36.0 31.6 115 112 O G T < 5S+ 0 0 15 -3,-2.5 -3,-0.2 1,-0.4 -2,-0.2 0.346 81.9 137.3 118.1 -6.6 74.2 -34.2 28.6 116 113 O A < - 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