==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE (ALDEHYDE(D)-NAD+(A)) 24-OCT-95 1GAD . COMPND 2 MOLECULE: D-GLYCERALDEHYDE-3-PHOSPHATE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR E.DUEE,L.OLIVIER-DEYRIS,E.FANCHON,C.CORBIER,G.BRANLANT,O.DID . 660 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26263.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 466 70.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 87 13.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 82 12.4 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 . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.9 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 . 49 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 79 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 134 20.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.5 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 7 0 0 0 0 2 1 1 0 3 1 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 4 6 0 2 1 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 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 2 0 0 0 2 2 0 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 0 100 0, 0.0 2,-0.6 0, 0.0 25,-0.2 0.000 360.0 360.0 360.0 155.0 30.5 83.4 8.8 2 1 O I E -a 26 0A 26 23,-2.9 25,-2.8 88,-0.0 2,-0.6 -0.859 360.0-138.4 -95.0 122.5 27.1 85.1 8.9 3 2 O K E -a 27 0A 81 -2,-0.6 87,-2.9 85,-0.2 88,-1.5 -0.777 26.2-168.4 -84.9 120.8 26.7 87.0 12.2 4 3 O V E -ab 28 91A 0 23,-3.0 25,-2.6 -2,-0.6 26,-0.9 -0.849 14.7-158.3-113.3 149.0 23.2 86.5 13.4 5 4 O G E -ab 30 92A 0 86,-1.8 88,-2.6 -2,-0.3 2,-0.5 -0.970 13.5-144.9-121.8 138.8 21.3 88.2 16.2 6 5 O I E -ab 31 93A 1 24,-2.6 26,-1.8 -2,-0.4 2,-0.6 -0.906 8.2-165.5-108.1 133.1 18.3 86.5 17.8 7 6 O N E S+ab 32 94A 5 86,-2.7 88,-2.1 -2,-0.5 89,-0.4 -0.925 72.4 27.2-118.0 106.9 15.3 88.5 18.9 8 7 O G - 0 0 6 24,-3.2 2,-0.8 -2,-0.6 -1,-0.2 0.560 65.7-151.9 106.4 94.9 13.0 86.4 21.2 9 8 O F + 0 0 1 23,-0.2 -1,-0.1 4,-0.2 24,-0.1 -0.358 53.9 123.4 -94.3 52.9 14.8 83.7 23.1 10 9 O G S > S- 0 0 27 -2,-0.8 4,-3.3 85,-0.2 5,-0.3 0.004 84.6 -57.2 -90.6-154.4 11.7 81.5 23.4 11 10 O R H > S+ 0 0 64 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.927 140.7 36.6 -54.7 -52.5 11.4 77.9 22.2 12 11 O I H > S+ 0 0 38 2,-0.2 4,-3.0 83,-0.2 5,-0.3 0.946 117.0 52.2 -68.1 -47.6 12.3 78.7 18.6 13 12 O G H > S+ 0 0 1 82,-0.3 4,-1.9 1,-0.2 -2,-0.2 0.907 113.6 45.2 -54.6 -41.9 14.9 81.3 19.5 14 13 O R H X S+ 0 0 26 -4,-3.3 4,-1.8 2,-0.2 -1,-0.2 0.876 114.3 46.3 -70.6 -39.8 16.5 78.7 21.9 15 14 O I H X S+ 0 0 6 -4,-2.1 4,-2.5 -5,-0.3 5,-0.2 0.847 110.5 53.4 -73.7 -32.0 16.5 75.8 19.4 16 15 O V H X S+ 0 0 0 -4,-3.0 4,-2.7 1,-0.2 -2,-0.2 0.946 108.9 51.9 -65.5 -41.8 17.8 78.0 16.6 17 16 O F H X S+ 0 0 0 -4,-1.9 4,-1.0 -5,-0.3 -2,-0.2 0.897 110.9 45.6 -60.2 -44.7 20.6 78.9 19.0 18 17 O R H X S+ 0 0 25 -4,-1.8 4,-0.5 2,-0.2 3,-0.4 0.909 113.6 49.0 -65.2 -43.3 21.4 75.3 19.7 19 18 O A H >< S+ 0 0 3 -4,-2.5 3,-1.4 1,-0.2 -2,-0.2 0.890 104.6 59.8 -63.1 -38.8 21.3 74.3 16.0 20 19 O A H >< S+ 0 0 4 -4,-2.7 3,-2.0 1,-0.3 6,-0.2 0.815 92.9 66.9 -60.3 -31.5 23.5 77.2 15.1 21 20 O Q H 3< S+ 0 0 60 -4,-1.0 -1,-0.3 -3,-0.4 -2,-0.2 0.815 98.1 53.4 -60.4 -30.0 26.3 75.7 17.4 22 21 O K T << S+ 0 0 167 -3,-1.4 2,-0.4 -4,-0.5 -1,-0.3 0.250 96.6 85.3 -90.0 12.5 26.5 72.8 14.9 23 22 O R < - 0 0 52 -3,-2.0 0, 0.0 3,-0.2 0, 0.0 -0.965 55.2-165.5-121.3 131.1 27.1 75.1 11.9 24 23 O S S S+ 0 0 112 -2,-0.4 -1,-0.1 1,-0.2 -4,-0.0 0.720 89.8 53.9 -80.9 -24.0 30.4 76.6 10.8 25 24 O D S S+ 0 0 54 -24,-0.1 -23,-2.9 -5,-0.0 2,-0.3 0.744 102.3 57.0 -84.5 -28.2 28.8 79.1 8.5 26 25 O I E -a 2 0A 5 -25,-0.2 2,-0.4 -6,-0.2 -3,-0.2 -0.828 61.1-172.3-108.5 146.4 26.4 80.9 10.9 27 26 O E E -a 3 0A 59 -25,-2.8 -23,-3.0 -2,-0.3 2,-0.5 -0.933 16.3-144.2-143.5 116.2 27.4 82.5 14.2 28 27 O I E +a 4 0A 10 -2,-0.4 -23,-0.2 -25,-0.2 3,-0.1 -0.680 26.9 164.3 -80.1 125.7 25.1 83.9 16.9 29 28 O V E + 0 0 15 -25,-2.6 43,-2.2 -2,-0.5 2,-0.3 0.518 59.1 25.4-119.2 -11.6 26.6 87.1 18.4 30 29 O A E -ac 5 72A 0 -26,-0.9 -24,-2.6 41,-0.3 2,-0.3 -0.985 55.0-164.3-158.1 144.9 23.7 88.7 20.2 31 30 O I E -ac 6 73A 0 41,-2.8 43,-1.8 -2,-0.3 2,-0.4 -0.967 5.5-166.7-130.8 144.8 20.4 87.8 21.9 32 31 O N E +ac 7 74A 3 -26,-1.8 -24,-3.2 -2,-0.3 2,-0.3 -0.998 27.2 123.1-135.1 137.2 17.4 90.0 22.9 33 32 O D - 0 0 34 41,-1.6 -2,-0.0 -2,-0.4 7,-0.0 -0.898 68.7 -92.2-168.5-176.4 14.4 89.2 25.1 34 33 O L S S+ 0 0 85 -2,-0.3 2,-0.3 43,-0.1 41,-0.1 -0.198 91.0 98.5-105.3 39.4 13.0 90.7 28.3 35 34 O L S S- 0 0 43 39,-0.4 -2,-0.2 2,-0.0 2,-0.1 -0.916 76.4-106.2-125.9 153.8 14.9 88.3 30.6 36 36 O D > - 0 0 112 -2,-0.3 4,-2.5 1,-0.1 3,-0.4 -0.411 34.9-110.2 -74.8 156.6 18.1 88.8 32.7 37 37 O A H > S+ 0 0 9 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.845 117.9 55.4 -53.6 -40.6 21.3 87.1 31.5 38 38 O D H > S+ 0 0 110 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.899 109.5 45.1 -61.7 -43.6 21.2 84.7 34.4 39 39 O Y H > S+ 0 0 106 -3,-0.4 4,-2.3 2,-0.2 -2,-0.2 0.907 112.5 51.9 -68.3 -40.4 17.7 83.5 33.6 40 40 O M H X S+ 0 0 0 -4,-2.5 4,-1.5 1,-0.2 -2,-0.2 0.894 107.7 52.3 -62.1 -40.2 18.6 83.2 29.9 41 41 O A H X S+ 0 0 4 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.888 109.8 49.8 -61.9 -40.5 21.6 81.1 30.8 42 42 O Y H X S+ 0 0 129 -4,-1.7 4,-2.3 1,-0.2 -2,-0.2 0.916 109.9 49.8 -65.1 -45.5 19.3 78.8 32.9 43 43 O M H < S+ 0 0 39 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.752 114.2 45.8 -65.7 -27.9 16.8 78.4 30.0 44 44 O L H < S+ 0 0 1 -4,-1.5 9,-0.2 -5,-0.2 -2,-0.2 0.895 112.5 50.6 -78.2 -46.1 19.6 77.5 27.6 45 45 O K H < S+ 0 0 69 -4,-2.5 8,-2.1 -5,-0.2 2,-0.4 0.891 114.6 40.9 -59.7 -44.4 21.3 75.1 29.9 46 46 O Y < + 0 0 104 -4,-2.3 2,-0.4 6,-0.2 6,-0.2 -0.919 60.3 172.6-116.1 133.4 18.2 73.1 30.8 47 47 O D > - 0 0 14 -2,-0.4 4,-1.8 1,-0.1 -3,-0.0 -0.973 24.1-154.0-139.3 122.7 15.4 71.9 28.4 48 48 O S T 4 S+ 0 0 134 -2,-0.4 -1,-0.1 1,-0.2 4,-0.1 0.823 99.7 33.4 -63.2 -33.2 12.6 69.6 29.3 49 49 O T T 4 S+ 0 0 32 2,-0.1 -1,-0.2 1,-0.1 187,-0.1 0.872 129.5 29.4 -90.1 -43.4 12.2 68.5 25.7 50 50 O H T 4 S- 0 0 42 1,-0.3 -2,-0.2 235,-0.0 -1,-0.1 0.427 99.7-128.6-102.9 3.8 15.7 68.6 24.3 51 51 O G < - 0 0 35 -4,-1.8 -1,-0.3 2,-0.0 -2,-0.1 -0.221 51.2 -20.9 81.1-175.8 17.9 67.9 27.3 52 52 O R S S- 0 0 189 -6,-0.2 -6,-0.2 1,-0.1 -7,-0.1 -0.395 75.6 -95.5 -71.7 144.9 20.9 69.8 28.7 53 53 O F - 0 0 21 -8,-2.1 2,-1.5 -9,-0.2 -1,-0.1 -0.328 32.9-127.1 -60.4 135.2 22.9 72.1 26.5 54 54 O D S S+ 0 0 150 -3,-0.1 2,-0.3 2,-0.1 -1,-0.1 -0.641 79.4 22.9 -86.7 80.4 25.9 70.4 25.0 55 55 O G S S- 0 0 38 -2,-1.5 2,-0.4 -10,-0.1 -2,-0.0 -0.978 96.1 -51.4 157.2-166.3 28.6 72.9 26.0 56 56 O T - 0 0 81 -2,-0.3 11,-3.0 2,-0.0 2,-0.4 -0.891 38.7-177.8-110.6 135.5 29.5 75.6 28.5 57 57 O V E +G 66 0B 19 -2,-0.4 2,-0.3 9,-0.2 9,-0.2 -0.994 10.3 165.8-134.0 121.3 27.4 78.6 29.3 58 58 O E E -G 65 0B 110 7,-1.9 7,-2.5 -2,-0.4 2,-0.5 -0.879 29.7-132.7-127.6 162.5 28.5 81.3 31.8 59 59 O V E +G 64 0B 47 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.978 28.3 170.4-119.0 129.8 27.3 84.8 32.6 60 60 O K E > -G 63 0B 122 3,-2.7 3,-0.9 -2,-0.5 -2,-0.0 -0.939 68.8 -12.7-144.5 116.7 30.0 87.6 32.8 61 61 O D T 3 S- 0 0 137 -2,-0.3 3,-0.1 1,-0.2 -1,-0.1 0.932 127.6 -53.3 58.2 49.3 29.2 91.3 33.1 62 62 O G T 3 S+ 0 0 44 1,-0.2 2,-0.3 10,-0.1 -1,-0.2 0.655 121.1 100.4 63.9 15.5 25.5 90.8 32.2 63 63 O H E < S-G 60 0B 73 -3,-0.9 -3,-2.7 9,-0.1 2,-0.3 -0.882 72.1-112.0-129.4 158.8 26.4 88.9 29.0 64 64 O L E -GH 59 71B 0 7,-1.8 7,-2.7 -2,-0.3 2,-0.5 -0.667 15.0-161.9 -91.6 149.1 26.6 85.3 28.1 65 65 O I E -GH 58 70B 18 -7,-2.5 -7,-1.9 -2,-0.3 2,-0.6 -0.916 15.2-176.6-129.0 97.2 29.7 83.3 27.3 66 66 O V E > S-GH 57 69B 1 3,-2.0 3,-1.9 -2,-0.5 -9,-0.2 -0.902 72.5 -18.9-102.4 118.3 28.7 80.2 25.4 67 67 O N T 3 S- 0 0 69 -11,-3.0 -1,-0.2 -2,-0.6 -10,-0.1 0.892 129.2 -53.0 54.9 40.2 31.6 77.8 24.6 68 68 O G T 3 S+ 0 0 56 -3,-0.3 2,-0.4 -12,-0.2 -1,-0.3 0.239 113.6 115.7 83.7 -15.2 34.0 80.7 25.2 69 69 O K E < -H 66 0B 107 -3,-1.9 -3,-2.0 1,-0.0 2,-0.3 -0.729 65.1-126.7 -91.3 136.7 32.4 83.2 22.8 70 70 O K E -H 65 0B 165 -2,-0.4 2,-0.5 -5,-0.2 -5,-0.2 -0.621 23.0-165.3 -79.0 140.4 30.9 86.4 24.3 71 71 O I E -H 64 0B 6 -7,-2.7 -7,-1.8 -2,-0.3 -41,-0.3 -0.986 20.3-126.1-131.7 116.3 27.2 86.9 23.3 72 72 O R E -c 30 0A 41 -43,-2.2 -41,-2.8 -2,-0.5 2,-0.4 -0.422 26.4-157.1 -63.2 132.8 25.8 90.4 23.8 73 73 O V E +c 31 0A 13 -11,-0.2 2,-0.3 -43,-0.2 -41,-0.2 -0.943 16.1 171.0-116.8 137.5 22.6 90.2 25.8 74 74 O T E -c 32 0A 32 -43,-1.8 -41,-1.6 -2,-0.4 -39,-0.4 -0.873 31.1-154.2-137.7 171.5 19.8 92.8 25.7 75 75 O A + 0 0 59 -2,-0.3 2,-0.3 -43,-0.2 -43,-0.1 0.017 37.2 149.7-137.8 30.2 16.3 93.5 26.9 76 76 O E - 0 0 74 1,-0.2 -2,-0.1 5,-0.1 6,-0.0 -0.503 30.9-164.3 -70.4 127.0 14.9 96.0 24.5 77 77 O R S S+ 0 0 193 -2,-0.3 -1,-0.2 1,-0.1 -43,-0.1 0.660 77.9 65.8 -84.3 -15.0 11.1 95.7 24.0 78 78 O D S > S- 0 0 61 1,-0.1 3,-1.7 3,-0.1 -1,-0.1 -0.932 74.8-147.3-114.1 119.8 11.4 97.8 20.8 79 79 O P G > S+ 0 0 2 0, 0.0 3,-1.4 0, 0.0 4,-0.2 0.794 94.9 65.4 -49.3 -39.1 13.3 96.5 17.8 80 80 O A G > S+ 0 0 36 1,-0.3 3,-0.5 2,-0.1 -4,-0.0 0.799 96.6 55.3 -58.4 -32.2 14.4 99.9 16.8 81 81 O N G < S+ 0 0 82 -3,-1.7 -1,-0.3 1,-0.2 -5,-0.1 0.050 79.2 100.1 -92.3 28.8 16.5 100.3 19.9 82 82 O L G < - 0 0 0 -3,-1.4 -1,-0.2 25,-0.2 -2,-0.1 0.677 66.3-153.0 -89.5 -17.4 18.6 97.1 19.3 83 83 O K X> + 0 0 100 -3,-0.5 3,-1.1 -4,-0.2 4,-0.7 0.840 23.5 171.2 46.8 48.9 21.8 98.6 17.9 84 84 O W H 3>> + 0 0 0 27,-0.9 5,-2.0 1,-0.3 4,-1.1 0.721 67.7 79.2 -59.5 -16.2 22.7 95.5 15.9 85 85 O D H >45S+ 0 0 99 26,-1.1 3,-0.9 1,-0.2 -1,-0.3 0.927 87.2 52.7 -51.8 -57.8 25.3 97.8 14.4 86 86 O E H <45S+ 0 0 159 -3,-1.1 -1,-0.2 1,-0.3 -2,-0.2 0.857 113.4 41.4 -49.5 -47.5 27.7 97.5 17.4 87 87 O V H 3<5S- 0 0 35 -4,-0.7 -1,-0.3 -3,-0.1 -2,-0.2 0.572 110.8-118.2 -83.6 -10.0 27.7 93.7 17.4 88 88 O G T <<5 - 0 0 32 -4,-1.1 2,-0.3 -3,-0.9 -85,-0.2 0.822 42.5-178.1 77.6 35.1 28.0 93.4 13.6 89 89 O V < + 0 0 2 -5,-2.0 25,-0.5 1,-0.2 -85,-0.2 -0.480 15.5 179.3 -71.4 125.8 24.7 91.5 13.0 90 90 O D S S+ 0 0 37 -87,-2.9 25,-2.1 1,-0.3 24,-1.6 0.919 71.0 18.9 -87.4 -58.5 24.1 90.6 9.3 91 91 O V E -bd 4 115A 1 -88,-1.5 -86,-1.8 23,-0.2 2,-0.5 -0.901 68.7-145.4-119.0 145.8 20.8 88.8 9.7 92 92 O V E -bd 5 116A 0 23,-2.2 25,-3.1 -2,-0.4 2,-1.0 -0.919 6.8-147.4-112.0 129.5 18.2 88.8 12.4 93 93 O A E -bd 6 117A 1 -88,-2.6 -86,-2.7 -2,-0.5 2,-1.2 -0.888 19.0-155.4 -94.5 101.1 16.1 85.8 13.4 94 94 O E E +bd 7 118A 0 23,-2.7 25,-2.4 -2,-1.0 3,-0.2 -0.736 31.5 153.9 -82.7 96.5 12.9 87.5 14.5 95 95 O A + 0 0 16 -88,-2.1 -82,-0.3 -2,-1.2 -85,-0.2 0.167 39.4 94.6-115.0 19.1 11.4 85.0 16.9 96 96 O T S S- 0 0 46 -89,-0.4 -1,-0.1 3,-0.1 -88,-0.1 0.802 80.2-136.0 -78.4 -30.4 9.2 87.0 19.2 97 97 O G S S+ 0 0 44 -3,-0.2 3,-0.2 2,-0.1 -2,-0.1 0.605 84.6 92.5 83.3 14.2 6.1 86.3 17.1 98 98 O L S S+ 0 0 131 1,-0.2 2,-0.8 3,-0.0 6,-0.1 0.738 75.3 55.1-106.6 -33.6 5.1 90.0 17.6 99 99 O F + 0 0 27 1,-0.1 -1,-0.2 5,-0.1 -2,-0.1 -0.629 57.5 142.8-108.6 74.8 6.7 91.6 14.5 100 100 O L + 0 0 15 -2,-0.8 23,-3.1 -3,-0.2 24,-0.7 -0.228 52.6 73.7-104.8 37.3 5.3 89.6 11.5 101 101 O T S > S- 0 0 36 21,-0.2 4,-2.5 22,-0.2 5,-0.3 -0.951 84.9-115.2-141.8 164.2 5.0 92.5 9.1 102 102 O D H > S+ 0 0 53 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.919 113.7 59.1 -66.6 -41.8 7.4 94.6 7.0 103 103 O E H 4 S+ 0 0 165 1,-0.2 4,-0.3 2,-0.2 -1,-0.2 0.898 117.1 29.3 -52.1 -51.4 6.5 97.7 9.0 104 104 O T H >4 S+ 0 0 28 2,-0.2 3,-1.3 1,-0.2 4,-0.2 0.907 120.6 50.5 -78.8 -47.7 7.5 96.2 12.4 105 105 O A H >< S+ 0 0 0 -4,-2.5 3,-1.9 1,-0.3 4,-0.4 0.811 97.8 69.8 -63.6 -27.8 10.3 93.9 11.3 106 106 O R T >X S+ 0 0 76 -4,-2.5 4,-2.1 -5,-0.3 3,-1.6 0.747 77.9 79.8 -64.8 -18.9 11.9 96.7 9.3 107 107 O K H <> S+ 0 0 68 -3,-1.3 4,-2.4 1,-0.3 -1,-0.3 0.783 86.7 59.8 -57.6 -26.7 12.9 98.3 12.6 108 108 O H H <4>S+ 0 0 0 -3,-1.9 5,-2.8 -4,-0.2 -1,-0.3 0.805 103.5 49.4 -70.5 -31.4 15.7 95.8 12.7 109 109 O I H X45S+ 0 0 41 -3,-1.6 3,-1.6 -4,-0.4 -2,-0.2 0.891 110.8 49.6 -72.0 -41.5 17.0 97.2 9.4 110 110 O T H 3<5S+ 0 0 112 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.940 106.7 57.8 -59.2 -44.5 16.8 100.7 11.0 111 111 O A T 3<5S- 0 0 5 -4,-2.4 -26,-1.1 -5,-0.2 -27,-0.9 0.320 132.4 -88.7 -70.5 4.6 18.6 99.3 14.0 112 112 O G T < 5S+ 0 0 23 -3,-1.6 -3,-0.2 1,-0.3 2,-0.2 0.424 83.3 131.5 107.0 -5.3 21.6 98.3 11.8 113 113 O A < - 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