==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 20-JAN-03 1NPT . COMPND 2 MOLECULE: GLYCERALDEHYDE 3-PHOSPHATE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: GEOBACILLUS STEAROTHERMOPHILUS; . AUTHOR C.DIDIERJEAN,C.CORBIER,M.FATIH,F.FAVIER,S.BOSCHI-MULLER, . 1336 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 45078.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 998 74.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 188 14.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 170 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 . 7 0.5 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 . 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 . 138 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 154 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 287 21.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 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 8 0 0 0 4 4 3 1 0 4 0 0 7 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 8 4 8 12 0 4 0 4 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 7 7 9 0 0 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 . 3 1 0 0 0 1 4 3 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 A 0 0 83 0, 0.0 2,-0.3 0, 0.0 25,-0.2 0.000 360.0 360.0 360.0 -79.5 82.6 55.0 62.0 2 1 O V E -a 26 0A 13 23,-2.2 25,-2.3 1,-0.1 2,-0.4 -0.614 360.0-121.8 -81.9 135.6 81.9 51.9 59.9 3 2 O K E -a 27 0A 84 -2,-0.3 88,-2.0 85,-0.3 87,-1.5 -0.640 33.8-171.0 -80.1 126.4 81.7 52.4 56.2 4 3 O V E -ab 28 91A 4 23,-3.2 25,-2.0 -2,-0.4 26,-1.0 -0.914 13.8-161.9-123.1 145.7 78.4 51.5 54.7 5 4 O G E -ab 30 92A 0 86,-2.4 88,-3.0 -2,-0.4 2,-0.5 -0.917 11.1-147.3-120.6 148.3 77.1 51.1 51.1 6 5 O I E -ab 31 93A 0 24,-2.1 26,-2.9 -2,-0.3 2,-0.8 -0.957 5.2-163.2-121.9 116.3 73.4 51.0 50.1 7 6 O N E S+ab 32 94A 1 86,-2.8 88,-2.7 -2,-0.5 26,-0.2 -0.859 76.9 25.9 -99.7 111.5 72.3 49.0 47.1 8 7 O G S S- 0 0 4 24,-3.2 2,-1.5 -2,-0.8 5,-0.3 0.770 70.4-153.5 99.8 83.7 68.9 50.1 46.0 9 8 O F + 0 0 1 23,-0.7 -1,-0.1 4,-0.2 87,-0.1 -0.360 54.5 116.2 -85.7 56.6 68.3 53.7 47.0 10 9 O G S > S- 0 0 17 -2,-1.5 4,-2.9 85,-0.4 5,-0.4 0.219 85.1 -43.6 -99.5-140.4 64.6 53.5 47.2 11 10 O R H > S+ 0 0 22 2,-0.2 4,-1.3 1,-0.2 5,-0.1 0.926 143.5 29.9 -60.5 -45.9 62.0 53.9 49.9 12 11 O I H > S+ 0 0 35 83,-0.2 4,-2.3 2,-0.2 5,-0.2 0.884 119.0 56.3 -81.0 -38.9 64.1 51.9 52.4 13 12 O G H > S+ 0 0 0 82,-0.4 4,-1.4 -5,-0.3 -2,-0.2 0.926 113.6 39.3 -57.3 -47.3 67.4 52.8 50.9 14 13 O R H X S+ 0 0 2 -4,-2.9 4,-2.1 2,-0.2 -1,-0.2 0.858 116.3 49.3 -73.8 -35.7 66.8 56.6 51.3 15 14 O N H X S+ 0 0 7 -4,-1.3 4,-1.9 -5,-0.4 -1,-0.2 0.801 109.2 53.6 -74.0 -25.6 65.1 56.3 54.7 16 15 O V H X S+ 0 0 3 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.883 108.2 51.5 -70.4 -37.6 68.0 54.2 55.9 17 16 O F H X S+ 0 0 5 -4,-1.4 4,-1.7 -5,-0.2 -2,-0.2 0.903 107.8 51.1 -64.6 -42.0 70.2 57.0 54.7 18 17 O R H < S+ 0 0 48 -4,-2.1 4,-0.3 1,-0.2 -1,-0.2 0.911 112.4 46.7 -60.8 -42.9 68.2 59.5 56.7 19 18 O A H >< S+ 0 0 4 -4,-1.9 3,-1.4 1,-0.2 4,-0.3 0.867 108.2 55.5 -67.1 -38.0 68.5 57.4 59.8 20 19 O A H >< S+ 0 0 7 -4,-2.4 3,-1.7 1,-0.3 6,-0.3 0.845 96.0 66.8 -63.7 -33.0 72.3 57.0 59.1 21 20 O L T 3< S+ 0 0 74 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.659 103.4 46.5 -61.6 -16.4 72.6 60.8 59.1 22 21 O K T < S+ 0 0 168 -3,-1.4 -1,-0.3 -4,-0.3 -2,-0.2 0.412 98.1 77.7-106.4 -0.8 71.7 60.7 62.8 23 22 O N X - 0 0 30 -3,-1.7 3,-1.9 -4,-0.3 -1,-0.1 -0.907 59.7-166.9-113.7 104.3 74.0 57.9 63.8 24 23 O P T 3 S+ 0 0 110 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.730 87.0 63.0 -60.4 -23.8 77.6 59.1 64.1 25 24 O D T 3 S+ 0 0 98 -24,-0.1 -23,-2.2 -3,-0.1 2,-0.4 0.485 97.2 69.8 -81.8 -1.2 78.9 55.5 64.2 26 25 O I E < -a 2 0A 14 -3,-1.9 2,-0.4 -6,-0.3 -23,-0.2 -0.959 59.0-175.4-121.4 135.2 77.6 55.0 60.7 27 26 O E E -a 3 0A 82 -25,-2.3 -23,-3.2 -2,-0.4 2,-0.8 -0.927 12.4-156.2-134.9 110.8 78.9 56.5 57.5 28 27 O V E +a 4 0A 17 -2,-0.4 -23,-0.2 -25,-0.2 3,-0.1 -0.752 20.3 167.7 -85.3 111.7 77.3 55.9 54.1 29 28 O V E + 0 0 19 -25,-2.0 43,-3.1 -2,-0.8 2,-0.3 0.615 61.8 15.6-100.6 -15.7 80.0 56.5 51.4 30 29 O A E -ac 5 72A 0 -26,-1.0 -24,-2.1 41,-0.3 2,-0.3 -0.987 54.7-166.1-159.7 148.0 78.2 55.1 48.4 31 30 O V E -ac 6 73A 0 41,-2.8 43,-2.6 -2,-0.3 2,-0.4 -0.949 11.5-150.6-132.7 152.4 74.8 54.1 47.0 32 31 O N E +ac 7 74A 6 -26,-2.9 -24,-3.2 -2,-0.3 -23,-0.7 -0.981 28.6 133.7-129.8 138.0 73.8 52.2 44.0 33 32 O D - 0 0 25 41,-2.0 63,-0.0 -2,-0.4 -23,-0.0 -0.682 59.9 -89.3-151.1-153.7 70.6 52.3 41.8 34 33 O L S S+ 0 0 98 -2,-0.2 2,-0.2 2,-0.1 41,-0.1 -0.102 96.4 53.2-125.7 33.9 69.5 52.4 38.2 35 34 O T S S- 0 0 35 39,-0.3 -2,-0.2 1,-0.0 2,-0.2 -0.698 87.1 -75.7-145.8-163.9 69.5 56.1 37.5 36 36 O D > - 0 0 77 -2,-0.2 4,-2.0 1,-0.1 3,-0.2 -0.543 39.3-104.1-104.0 171.6 71.8 59.1 37.7 37 37 O A H > S+ 0 0 3 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.899 117.5 58.1 -57.8 -45.5 73.0 61.3 40.6 38 38 O N H > S+ 0 0 100 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.897 108.8 45.8 -53.3 -43.9 70.7 64.2 39.7 39 39 O T H > S+ 0 0 13 2,-0.2 4,-2.3 -3,-0.2 -1,-0.2 0.914 113.2 47.6 -68.5 -44.2 67.7 61.9 40.0 40 40 O L H X S+ 0 0 0 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.883 112.4 51.0 -65.1 -37.1 68.8 60.3 43.3 41 41 O A H X S+ 0 0 3 -4,-2.9 4,-2.3 2,-0.2 -2,-0.2 0.916 109.8 49.2 -65.5 -44.6 69.5 63.8 44.8 42 42 O H H X S+ 0 0 8 -4,-2.1 4,-2.4 -5,-0.3 -2,-0.2 0.924 113.6 46.6 -61.0 -44.5 66.1 65.1 43.8 43 43 O L H < S+ 0 0 0 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.838 112.2 50.4 -67.3 -33.9 64.4 62.1 45.3 44 44 O L H < S+ 0 0 1 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.867 113.8 45.8 -71.6 -36.2 66.5 62.4 48.5 45 45 O K H < S+ 0 0 42 -4,-2.3 8,-2.4 1,-0.2 2,-0.6 0.941 116.8 40.5 -72.0 -50.8 65.7 66.1 48.9 46 46 O Y < - 0 0 19 -4,-2.4 2,-0.5 6,-0.2 -1,-0.2 -0.899 68.7-179.1-109.0 112.8 61.9 66.0 48.2 47 47 O D > - 0 0 5 -2,-0.6 4,-1.3 4,-0.5 -3,-0.1 -0.941 23.2-151.4-113.6 126.7 60.0 63.1 49.8 48 48 O S T 4 S+ 0 0 6 -2,-0.5 -1,-0.1 1,-0.2 4,-0.1 0.697 98.6 33.5 -67.2 -20.0 56.2 62.7 49.2 49 49 O V T 4 S+ 0 0 15 2,-0.1 -1,-0.2 187,-0.1 188,-0.1 0.818 129.0 28.1-104.2 -41.8 55.9 60.9 52.6 50 50 O H T 4 S- 0 0 33 1,-0.3 -2,-0.2 236,-0.0 -1,-0.0 0.232 100.1-128.7-109.5 15.2 58.4 62.4 54.9 51 51 O G < - 0 0 35 -4,-1.3 -4,-0.5 2,-0.1 -1,-0.3 -0.005 54.7 -15.8 69.7-176.7 58.8 66.0 53.5 52 52 O R S S- 0 0 135 -6,-0.2 2,-0.4 901,-0.1 -6,-0.2 -0.320 75.2-106.9 -61.7 139.6 61.9 67.9 52.6 53 53 O L - 0 0 18 -8,-2.4 2,-2.8 -9,-0.1 -1,-0.1 -0.563 24.7-131.4 -71.1 122.4 65.2 66.5 53.9 54 54 O D S S+ 0 0 162 -2,-0.4 2,-0.3 2,-0.1 -1,-0.1 -0.405 78.8 73.7 -74.4 67.0 66.4 68.8 56.7 55 55 O A S S- 0 0 26 -2,-2.8 2,-0.6 -10,-0.1 -2,-0.1 -0.973 90.8 -84.4-166.9 168.0 69.9 69.0 55.2 56 56 O E - 0 0 142 -2,-0.3 11,-1.7 2,-0.0 2,-0.4 -0.756 46.0-177.5 -87.4 122.5 72.0 70.4 52.3 57 57 O V E +D 66 0A 16 -2,-0.6 2,-0.3 9,-0.2 9,-0.2 -0.980 14.8 136.5-126.8 132.5 71.8 68.4 49.2 58 58 O S E -D 65 0A 57 7,-1.5 7,-2.5 -2,-0.4 2,-0.4 -0.905 40.6-110.1-155.4-179.4 73.6 68.9 45.9 59 59 O V E +D 64 0A 50 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.945 19.6 178.6-127.8 147.2 75.5 67.1 43.1 60 60 O N E > -D 63 0A 98 3,-2.3 3,-0.9 -2,-0.4 2,-0.4 -0.766 68.7 -55.0-146.4 92.6 79.1 67.1 42.1 61 61 O G T 3 S- 0 0 56 -2,-0.3 -24,-0.1 1,-0.2 -1,-0.0 -0.603 120.8 -17.1 75.2-125.6 79.8 64.7 39.2 62 62 O N T 3 S+ 0 0 120 -2,-0.4 11,-1.9 -3,-0.1 2,-0.4 0.038 121.6 94.4-100.6 24.4 78.6 61.2 40.0 63 63 O N E < -DE 60 72A 34 -3,-0.9 -3,-2.3 9,-0.2 9,-0.2 -0.935 67.8-135.5-123.6 143.2 78.4 62.1 43.7 64 64 O L E -DE 59 71A 0 7,-2.8 7,-2.6 -2,-0.4 2,-0.5 -0.593 19.0-148.8 -85.5 152.4 75.7 63.3 46.1 65 65 O V E +DE 58 70A 19 -7,-2.5 -7,-1.5 5,-0.2 2,-0.5 -0.912 20.1 172.6-130.1 105.5 76.7 66.1 48.4 66 66 O V E > S-DE 57 69A 2 3,-2.3 3,-2.2 -2,-0.5 -9,-0.2 -0.959 75.5 -22.6-115.8 119.4 74.9 66.2 51.8 67 67 O N T 3 S- 0 0 100 -11,-1.7 -1,-0.2 -2,-0.5 3,-0.1 0.878 126.6 -52.9 49.1 43.3 76.1 68.7 54.4 68 68 O G T 3 S+ 0 0 62 1,-0.3 -1,-0.3 -12,-0.2 2,-0.3 0.104 113.4 119.6 84.5 -25.0 79.5 68.8 52.6 69 69 O K E < - E 0 66A 140 -3,-2.2 -3,-2.3 1,-0.0 2,-0.5 -0.558 57.7-139.1 -76.6 136.8 79.9 65.0 52.7 70 70 O E E - E 0 65A 95 -2,-0.3 2,-0.5 -5,-0.2 -5,-0.2 -0.847 13.3-164.4-101.8 131.2 80.2 63.3 49.3 71 71 O I E - E 0 64A 5 -7,-2.6 -7,-2.8 -2,-0.5 -41,-0.3 -0.961 22.2-124.4-115.0 124.2 78.5 60.0 48.6 72 72 O I E -cE 30 63A 52 -43,-3.1 -41,-2.8 -2,-0.5 2,-0.5 -0.412 20.7-148.1 -67.8 137.8 79.5 58.0 45.6 73 73 O V E -c 31 0A 15 -11,-1.9 2,-0.3 -43,-0.2 -41,-0.2 -0.943 17.2-178.4-113.3 124.1 76.7 57.1 43.2 74 74 O K E -c 32 0A 45 -43,-2.6 -41,-2.0 -2,-0.5 -39,-0.3 -0.786 19.3-163.6-115.4 160.7 76.9 53.8 41.2 75 75 O A + 0 0 58 -2,-0.3 2,-0.6 -43,-0.2 -41,-0.1 -0.362 34.3 144.3-141.0 56.0 74.5 52.4 38.6 76 76 O E - 0 0 81 1,-0.1 6,-0.1 3,-0.0 -2,-0.1 -0.878 33.5-164.9-102.6 113.9 75.4 48.7 38.4 77 77 O R S S+ 0 0 181 -2,-0.6 -1,-0.1 1,-0.1 -43,-0.0 0.816 83.5 61.4 -64.5 -30.7 72.5 46.4 37.8 78 78 O D S > S- 0 0 65 1,-0.1 3,-2.1 -3,-0.1 -1,-0.1 -0.881 76.2-153.0-102.1 112.7 74.7 43.4 38.8 79 79 O P G > S+ 0 0 1 0, 0.0 3,-1.7 0, 0.0 4,-0.2 0.700 88.5 74.1 -56.0 -22.4 76.0 43.8 42.4 80 80 O E G 3 S+ 0 0 83 1,-0.3 3,-0.3 2,-0.1 -3,-0.0 0.661 94.1 54.1 -69.0 -12.1 79.1 41.8 41.6 81 81 O N G < S+ 0 0 95 -3,-2.1 -1,-0.3 1,-0.2 27,-0.1 0.289 78.4 97.8-101.9 8.8 80.5 44.8 39.8 82 82 O L S < S- 0 0 0 -3,-1.7 -1,-0.2 25,-0.1 -2,-0.1 0.671 71.0-152.2 -71.8 -17.4 80.0 47.2 42.7 83 83 O A >> + 0 0 26 -3,-0.3 4,-0.7 -4,-0.2 3,-0.5 0.892 26.8 169.0 44.3 50.7 83.7 46.9 43.8 84 84 O W G >4> + 0 0 0 24,-0.2 5,-2.0 1,-0.2 3,-1.0 0.890 68.6 62.5 -57.3 -40.9 82.7 47.7 47.4 85 85 O G G >45S+ 0 0 38 26,-2.4 3,-1.7 1,-0.2 -1,-0.2 0.861 93.3 60.6 -54.3 -42.2 86.2 46.7 48.5 86 86 O E G <45S+ 0 0 177 -3,-0.5 -1,-0.2 25,-0.4 -2,-0.2 0.803 110.6 40.8 -59.1 -30.8 88.0 49.4 46.5 87 87 O I G <<5S- 0 0 43 -3,-1.0 -1,-0.3 -4,-0.7 -2,-0.2 0.229 116.6-110.5-103.6 14.9 86.2 52.1 48.4 88 88 O G T < 5 + 0 0 27 -3,-1.7 2,-0.7 1,-0.2 -85,-0.3 0.759 55.6 164.0 66.3 28.8 86.4 50.4 51.8 89 89 O V < + 0 0 1 -5,-2.0 25,-0.3 1,-0.2 -1,-0.2 -0.706 9.1 173.0 -82.1 117.2 82.7 49.6 52.2 90 90 O D + 0 0 42 -87,-1.5 25,-2.9 -2,-0.7 24,-1.7 0.870 65.0 40.1 -89.8 -44.3 82.4 47.0 55.0 91 91 O I E -bf 4 115A 0 -88,-2.0 -86,-2.4 23,-0.2 2,-0.5 -0.941 66.9-165.0-114.8 126.3 78.6 46.7 55.4 92 92 O V E -bf 5 116A 0 23,-2.5 25,-2.7 -2,-0.5 2,-0.8 -0.922 12.9-146.6-111.8 128.2 76.2 46.7 52.5 93 93 O V E -bf 6 117A 2 -88,-3.0 -86,-2.8 -2,-0.5 2,-1.0 -0.849 15.1-154.4 -92.1 111.0 72.5 47.3 52.9 94 94 O E E +bf 7 118A 3 23,-2.3 25,-2.3 -2,-0.8 -86,-0.1 -0.768 35.5 146.6 -90.3 98.9 70.8 45.2 50.2 95 95 O S + 0 0 14 -88,-2.7 -85,-0.4 -2,-1.0 -82,-0.4 -0.204 32.0 102.5-130.0 44.8 67.5 46.9 49.6 96 96 O T S S- 0 0 51 -87,-0.1 -88,-0.1 -84,-0.1 -1,-0.1 0.709 78.8-132.2 -93.6 -25.5 66.7 46.5 45.9 97 97 O G S S+ 0 0 55 -3,-0.1 3,-0.2 -89,-0.0 -89,-0.1 0.350 90.2 86.2 89.0 -4.6 64.2 43.8 46.6 98 98 O R S S+ 0 0 204 1,-0.2 3,-0.2 2,-0.1 -3,-0.0 0.594 81.1 53.9-102.1 -14.0 65.7 41.7 43.9 99 99 O F + 0 0 36 1,-0.1 6,-0.2 5,-0.1 -1,-0.2 -0.303 56.6 127.1-120.9 53.0 68.5 40.0 45.8 100 100 O T + 0 0 40 -3,-0.2 23,-1.9 4,-0.1 2,-0.3 0.602 53.1 93.5 -81.1 -11.9 66.9 38.3 48.9 101 101 O K B >> S-i 123 0B 78 -3,-0.2 4,-2.6 21,-0.2 3,-1.1 -0.638 81.6-129.7 -80.8 138.7 68.5 35.0 48.0 102 102 O R H 3> S+ 0 0 64 21,-2.3 4,-2.9 -2,-0.3 5,-0.2 0.900 107.2 58.9 -55.0 -44.4 71.9 34.4 49.7 103 103 O E H 34 S+ 0 0 137 1,-0.2 -1,-0.3 2,-0.2 4,-0.1 0.794 113.1 40.3 -56.1 -29.7 73.6 33.4 46.4 104 104 O D H X4 S+ 0 0 38 -3,-1.1 3,-1.7 2,-0.2 4,-0.3 0.911 115.5 47.1 -85.5 -48.1 72.6 36.9 45.1 105 105 O A H >< S+ 0 0 0 -4,-2.6 3,-1.6 1,-0.3 4,-0.5 0.812 101.9 68.2 -63.1 -29.4 73.3 39.0 48.2 106 106 O A T 3X S+ 0 0 12 -4,-2.9 4,-1.9 -5,-0.3 3,-0.3 0.641 79.7 79.3 -65.2 -14.4 76.6 37.2 48.5 107 107 O K H <> S+ 0 0 48 -3,-1.7 4,-1.1 1,-0.2 -1,-0.3 0.830 85.6 59.9 -62.9 -31.0 77.7 39.0 45.3 108 108 O H H <4>S+ 0 0 0 -3,-1.6 5,-2.2 -4,-0.3 -1,-0.2 0.881 104.4 48.8 -63.0 -39.8 78.4 42.0 47.5 109 109 O L H >45S+ 0 0 43 -4,-0.5 3,-2.2 -3,-0.3 -2,-0.2 0.913 107.8 53.7 -66.2 -42.8 80.9 40.1 49.5 110 110 O E H 3<5S+ 0 0 111 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.772 104.8 57.8 -61.7 -24.6 82.5 38.8 46.3 111 111 O A T 3<5S- 0 0 13 -4,-1.1 -26,-2.4 -5,-0.2 -25,-0.4 0.375 134.8 -86.1 -87.7 4.1 82.8 42.5 45.4 112 112 O G T < 5S+ 0 0 28 -3,-2.2 -3,-0.2 1,-0.3 2,-0.2 0.465 83.9 133.9 108.8 1.2 84.8 43.3 48.5 113 113 O A < - 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