==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 06-JAN-97 4DBV . COMPND 2 MOLECULE: GLYCERALDEHYDE-3-PHOSPHATE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: GEOBACILLUS STEAROTHERMOPHILUS; . AUTHOR C.DIDIERJEAN,S.RAHUEL-CLERMONT,B.VITOUX,O.DIDEBERG, . 1336 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 43912.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1012 75.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 190 14.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 162 12.1 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 . 2 0.1 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 . 139 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 163 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 293 21.9 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 12 0 0 0 1 5 1 3 0 4 0 0 1 6 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 9 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 5 9 7 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 . 1 4 0 0 0 4 2 2 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 94 0, 0.0 2,-0.3 0, 0.0 25,-0.2 0.000 360.0 360.0 360.0 -65.6 79.2 65.0 38.9 2 1 O V E -a 26 0A 27 23,-1.9 25,-2.4 1,-0.1 2,-0.4 -0.537 360.0-132.6 -72.3 130.4 80.7 61.6 40.0 3 2 O K E -a 27 0A 77 85,-0.4 87,-1.7 -2,-0.3 88,-1.7 -0.754 25.4-169.1 -88.8 133.5 82.2 59.7 37.1 4 3 O V E -ab 28 91A 2 23,-3.3 25,-2.6 -2,-0.4 26,-0.9 -0.842 10.8-156.8-121.9 152.6 81.2 56.1 36.8 5 4 O G E -ab 30 92A 0 86,-2.0 88,-2.8 -2,-0.3 2,-0.5 -0.984 11.1-144.5-129.3 140.0 82.5 53.2 34.7 6 5 O I E -ab 31 93A 0 24,-2.0 26,-2.1 -2,-0.4 2,-0.7 -0.924 6.1-160.7-110.0 126.0 80.5 50.1 33.8 7 6 O N E S+ab 32 94A 2 86,-3.1 88,-2.9 -2,-0.5 26,-0.2 -0.926 74.8 22.0-107.4 114.1 82.2 46.7 33.5 8 7 O G - 0 0 5 24,-3.2 2,-0.9 -2,-0.7 -1,-0.2 0.712 69.6-149.6 94.4 93.2 80.2 44.3 31.5 9 8 O F + 0 0 1 23,-0.2 -1,-0.1 4,-0.2 24,-0.1 -0.346 55.0 118.5 -90.5 54.2 77.7 46.0 29.3 10 9 O G S > S- 0 0 24 -2,-0.9 4,-2.5 85,-0.4 5,-0.3 0.246 85.1 -46.3 -95.0-142.4 75.0 43.3 29.3 11 10 O R H > S+ 0 0 20 1,-0.2 4,-1.1 2,-0.2 5,-0.1 0.924 142.5 33.0 -59.4 -44.5 71.4 43.2 30.5 12 11 O I H > S+ 0 0 35 83,-0.2 4,-2.0 2,-0.2 5,-0.2 0.866 117.0 54.8 -82.0 -36.3 72.3 45.0 33.8 13 12 O G H > S+ 0 0 0 82,-0.3 4,-2.3 2,-0.2 -2,-0.2 0.949 112.3 42.9 -61.9 -48.6 75.1 47.2 32.4 14 13 O R H X S+ 0 0 6 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.835 116.2 48.2 -66.8 -34.7 72.9 48.7 29.7 15 14 O N H X S+ 0 0 8 -4,-1.1 4,-1.6 -5,-0.3 -1,-0.2 0.750 109.3 52.3 -78.0 -25.0 70.0 49.1 32.0 16 15 O V H X S+ 0 0 2 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.934 110.1 50.6 -72.4 -41.7 72.2 50.7 34.6 17 16 O F H X S+ 0 0 5 -4,-2.3 4,-1.1 1,-0.2 -2,-0.2 0.893 110.3 48.7 -58.0 -45.0 73.3 53.0 31.7 18 17 O R H < S+ 0 0 36 -4,-2.0 4,-0.4 1,-0.2 -1,-0.2 0.841 111.5 50.0 -64.0 -35.4 69.6 53.8 30.9 19 18 O A H >< S+ 0 0 5 -4,-1.6 3,-1.0 1,-0.2 -2,-0.2 0.847 105.2 57.0 -72.0 -36.0 68.9 54.5 34.5 20 19 O A H >< S+ 0 0 9 -4,-2.2 3,-1.7 1,-0.2 6,-0.2 0.789 92.4 69.5 -65.3 -31.9 71.9 56.9 34.9 21 20 O L T 3< S+ 0 0 74 -4,-1.1 -1,-0.2 1,-0.3 -2,-0.2 0.777 99.1 51.0 -58.2 -27.6 70.6 59.1 32.0 22 21 O K T < S+ 0 0 142 -3,-1.0 -1,-0.3 -4,-0.4 -2,-0.1 -0.179 99.0 78.9-101.6 34.8 67.8 60.1 34.4 23 22 O N < - 0 0 27 -3,-1.7 3,-0.5 3,-0.2 -1,-0.1 -0.846 56.7-165.7-146.0 110.0 70.2 61.0 37.2 24 23 O P S S+ 0 0 116 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.633 84.6 62.7 -68.9 -15.8 72.1 64.3 37.3 25 24 O D S S+ 0 0 94 -24,-0.1 -23,-1.9 -5,-0.0 2,-0.3 0.850 97.5 56.5 -81.0 -36.0 74.5 63.2 40.1 26 25 O I E -a 2 0A 11 -3,-0.5 2,-0.4 -6,-0.2 -23,-0.2 -0.710 62.7-164.6-100.1 154.8 76.2 60.4 38.3 27 26 O E E -a 3 0A 60 -25,-2.4 -23,-3.3 -2,-0.3 2,-0.6 -0.964 11.5-148.0-140.6 111.9 78.0 60.5 35.0 28 27 O V E +a 4 0A 13 -2,-0.4 -23,-0.2 -25,-0.2 3,-0.1 -0.743 25.9 166.1 -81.5 118.3 78.9 57.4 33.0 29 28 O V E + 0 0 21 -25,-2.6 43,-2.6 -2,-0.6 2,-0.3 0.717 57.4 12.4-108.7 -22.1 82.2 58.1 31.2 30 29 O A E -ac 5 72A 0 -26,-0.9 -24,-2.0 41,-0.3 2,-0.3 -0.990 54.2-161.9-155.2 153.2 83.4 54.7 30.0 31 30 O V E -ac 6 73A 0 41,-2.4 43,-3.3 -2,-0.3 2,-0.4 -0.950 6.8-155.1-134.6 153.1 82.3 51.1 29.6 32 31 O N E +ac 7 74A 8 -26,-2.1 -24,-3.2 -2,-0.3 2,-0.3 -0.999 28.9 141.7-132.0 132.8 84.2 47.9 29.2 33 32 O D - 0 0 26 41,-1.4 -2,-0.1 -2,-0.4 7,-0.0 -0.956 58.0-112.5-162.5 159.6 82.8 44.8 27.5 34 33 O T S S+ 0 0 92 -2,-0.3 43,-0.1 41,-0.1 -1,-0.1 0.786 92.1 89.2 -71.4 -26.5 84.0 42.1 25.1 35 34 O G S S- 0 0 13 1,-0.1 -2,-0.3 2,-0.1 2,-0.2 -0.197 82.7-107.5 -70.0 162.1 81.8 43.5 22.4 36 36 O G > - 0 0 41 1,-0.1 4,-2.9 39,-0.0 3,-0.3 -0.523 30.6-105.2 -87.1 159.9 82.7 46.1 19.9 37 37 O A H > S+ 0 0 9 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.856 118.8 50.9 -51.1 -44.0 81.4 49.7 19.9 38 38 O N H > S+ 0 0 112 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.914 112.5 45.6 -64.5 -41.9 79.1 49.2 16.9 39 39 O T H > S+ 0 0 32 -3,-0.3 4,-2.6 1,-0.2 -2,-0.2 0.952 114.7 48.6 -65.0 -46.2 77.5 46.1 18.5 40 40 O L H X S+ 0 0 0 -4,-2.9 4,-1.1 2,-0.2 -2,-0.2 0.821 109.9 51.8 -63.4 -35.0 77.2 47.9 21.8 41 41 O A H >X S+ 0 0 5 -4,-2.4 4,-2.4 -5,-0.2 3,-0.7 0.970 111.2 47.2 -66.8 -50.6 75.6 50.9 20.2 42 42 O H H 3X S+ 0 0 7 -4,-2.4 4,-2.8 1,-0.3 -2,-0.2 0.944 113.2 47.5 -54.7 -51.9 73.0 48.8 18.4 43 43 O L H 3< S+ 0 0 1 -4,-2.6 -1,-0.3 1,-0.2 -2,-0.2 0.701 112.7 49.8 -63.6 -23.7 72.2 46.8 21.6 44 44 O L H << S+ 0 0 0 -4,-1.1 -1,-0.2 -3,-0.7 -2,-0.2 0.851 113.8 45.7 -82.1 -36.9 71.9 50.0 23.6 45 45 O K H < S+ 0 0 43 -4,-2.4 8,-2.2 1,-0.2 2,-0.5 0.963 117.2 39.4 -69.8 -58.7 69.6 51.7 21.1 46 46 O Y E < +G 52 0B 13 -4,-2.8 2,-0.4 6,-0.2 -1,-0.2 -0.882 66.9 178.2-104.0 122.9 67.2 48.8 20.4 47 47 O D E > -G 51 0B 2 4,-0.8 4,-2.8 -2,-0.5 -3,-0.1 -0.979 24.7-149.2-125.6 122.7 66.0 46.6 23.3 48 48 O S T 4 S+ 0 0 9 -2,-0.4 -1,-0.1 1,-0.2 4,-0.1 0.655 100.1 33.3 -61.4 -21.5 63.5 43.7 22.9 49 49 O V T 4 S+ 0 0 16 2,-0.2 -1,-0.2 187,-0.1 188,-0.0 0.713 131.2 28.7-105.9 -32.3 62.1 44.2 26.5 50 50 O H T 4 S- 0 0 42 1,-0.3 -2,-0.2 236,-0.0 2,-0.1 0.513 95.8-138.2-113.5 -2.6 62.4 47.9 27.0 51 51 O G E < -G 47 0B 33 -4,-2.8 -4,-0.8 2,-0.0 -1,-0.3 -0.360 52.6 -8.0 82.1-163.3 62.1 49.4 23.5 52 52 O R E -G 46 0B 120 -6,-0.2 2,-0.4 901,-0.1 -6,-0.2 -0.449 66.7-118.1 -77.3 140.3 64.1 52.2 22.0 53 53 O L - 0 0 13 -8,-2.2 2,-1.6 -2,-0.2 4,-0.1 -0.643 22.3-135.7 -75.0 127.1 66.5 54.3 24.1 54 54 O D S S+ 0 0 163 -2,-0.4 2,-0.3 2,-0.1 -1,-0.1 -0.683 76.0 77.4 -89.2 80.8 65.2 57.9 24.0 55 55 O A S S- 0 0 23 -2,-1.6 2,-0.6 -10,-0.0 -2,-0.1 -0.888 91.0 -92.3-173.9 157.9 68.7 59.5 23.4 56 56 O E - 0 0 132 -2,-0.3 11,-2.6 2,-0.0 2,-0.4 -0.781 43.7-174.0 -87.0 123.4 70.9 59.9 20.4 57 57 O V E +H 66 0C 17 -2,-0.6 2,-0.3 9,-0.2 9,-0.2 -0.976 16.1 144.0-120.4 131.8 73.4 57.0 20.2 58 58 O S E -H 65 0C 59 7,-2.4 7,-3.1 -2,-0.4 2,-0.4 -0.909 42.4-106.1-152.5 178.1 76.2 56.8 17.6 59 59 O V E -H 64 0C 48 -2,-0.3 2,-0.5 5,-0.2 5,-0.2 -0.960 21.6-176.4-121.2 130.2 79.8 55.7 17.2 60 60 O N E > S-H 63 0C 88 3,-2.6 3,-1.5 -2,-0.4 2,-0.7 -0.917 71.0 -43.6-126.2 104.3 82.8 57.9 17.0 61 61 O G T 3 S- 0 0 63 -2,-0.5 -2,-0.0 1,-0.3 -24,-0.0 -0.686 120.5 -33.9 78.3-117.6 86.0 56.0 16.3 62 62 O N T 3 S+ 0 0 118 -2,-0.7 2,-0.3 -25,-0.1 -1,-0.3 -0.010 124.8 93.8-123.3 26.2 85.7 52.9 18.6 63 63 O N E < S-H 60 0C 32 -3,-1.5 -3,-2.6 9,-0.1 2,-0.3 -0.790 76.2-116.8-116.3 156.2 83.9 55.0 21.2 64 64 O L E -HI 59 71C 0 7,-2.0 7,-3.4 -2,-0.3 2,-0.5 -0.659 18.2-154.9 -91.2 151.2 80.2 55.5 21.8 65 65 O V E +HI 58 70C 17 -7,-3.1 -7,-2.4 -2,-0.3 2,-0.5 -0.969 15.0 178.5-129.3 111.2 78.6 58.9 21.4 66 66 O V E > S-HI 57 69C 3 3,-2.6 3,-2.0 -2,-0.5 -9,-0.2 -0.974 71.5 -22.4-117.4 119.0 75.4 59.3 23.5 67 67 O N T 3 S- 0 0 73 -11,-2.6 -1,-0.1 -2,-0.5 -10,-0.1 0.869 127.7 -50.5 51.7 42.3 73.6 62.7 23.4 68 68 O G T 3 S+ 0 0 63 1,-0.2 2,-0.4 -12,-0.2 -1,-0.3 0.073 114.6 117.7 87.2 -27.3 76.8 64.4 22.3 69 69 O K E < -I 66 0C 114 -3,-2.0 -3,-2.6 1,-0.0 2,-0.4 -0.611 61.7-137.2 -77.2 129.3 78.9 62.8 25.1 70 70 O E E -I 65 0C 87 -2,-0.4 2,-0.5 -5,-0.2 -5,-0.2 -0.722 16.9-158.4 -84.6 130.3 81.7 60.6 24.0 71 71 O I E -I 64 0C 4 -7,-3.4 -7,-2.0 -2,-0.4 -41,-0.3 -0.962 18.9-125.1-111.3 122.2 81.8 57.4 26.2 72 72 O I E -c 30 0A 57 -43,-2.6 -41,-2.4 -2,-0.5 2,-0.6 -0.519 22.6-153.4 -68.7 130.9 85.1 55.7 26.2 73 73 O V E -c 31 0A 15 -2,-0.3 -41,-0.2 -43,-0.2 2,-0.2 -0.938 14.9-175.3-110.2 117.5 84.7 52.1 25.2 74 74 O K E -c 32 0A 45 -43,-3.3 -41,-1.4 -2,-0.6 8,-0.1 -0.594 19.0-161.3-104.6 170.4 87.3 49.6 26.5 75 75 O A + 0 0 71 -43,-0.2 2,-0.6 -2,-0.2 -43,-0.1 -0.253 35.3 140.3-149.9 55.4 87.9 45.9 25.9 76 76 O E - 0 0 79 1,-0.1 -2,-0.1 3,-0.0 6,-0.1 -0.903 34.0-165.0-104.1 120.7 90.1 44.5 28.6 77 77 O R S S+ 0 0 163 -2,-0.6 -1,-0.1 1,-0.1 -43,-0.1 0.682 81.2 66.4 -75.9 -18.2 89.1 41.1 29.9 78 78 O D S > S- 0 0 45 1,-0.1 3,-2.2 -3,-0.0 -1,-0.1 -0.924 75.7-150.7-108.8 112.0 91.3 41.7 32.9 79 79 O P G > S+ 0 0 0 0, 0.0 3,-1.4 0, 0.0 4,-0.2 0.713 89.9 73.9 -50.4 -25.1 90.0 44.5 35.2 80 80 O E G 3 S+ 0 0 80 1,-0.3 3,-0.3 2,-0.1 -3,-0.0 0.689 95.4 50.4 -65.9 -20.4 93.5 45.3 36.3 81 81 O N G < S+ 0 0 92 -3,-2.2 -1,-0.3 1,-0.2 27,-0.1 0.126 79.5 96.9-103.8 18.3 94.3 47.0 32.9 82 82 O L S < S- 0 0 0 -3,-1.4 -1,-0.2 -8,-0.1 -2,-0.1 0.669 70.6-150.3 -83.1 -14.6 91.3 49.3 32.7 83 83 O A >> + 0 0 29 -3,-0.3 4,-0.8 -4,-0.2 3,-0.6 0.886 29.3 166.4 46.6 53.3 93.1 52.3 34.0 84 84 O W G >4> + 0 0 0 27,-0.4 5,-2.2 1,-0.2 3,-1.1 0.910 69.9 61.6 -63.4 -40.7 90.0 53.8 35.6 85 85 O G G >45S+ 0 0 39 26,-2.1 3,-1.3 1,-0.2 -1,-0.2 0.831 95.7 59.9 -56.0 -35.3 92.1 56.3 37.5 86 86 O E G <45S+ 0 0 174 -3,-0.6 -1,-0.2 25,-0.4 -2,-0.2 0.794 110.0 40.9 -64.7 -32.5 93.5 57.9 34.4 87 87 O I G <<5S- 0 0 39 -3,-1.1 -1,-0.3 -4,-0.8 -2,-0.2 0.208 120.1-106.9-100.4 13.4 90.1 58.9 33.1 88 88 O G T < 5 + 0 0 32 -3,-1.3 2,-0.5 1,-0.2 -85,-0.4 0.685 58.3 164.1 72.3 22.6 88.9 60.0 36.6 89 89 O V < + 0 0 1 -5,-2.2 -1,-0.2 1,-0.2 -85,-0.2 -0.619 9.3 171.4 -77.7 116.8 86.5 57.1 37.2 90 90 O D + 0 0 47 -87,-1.7 24,-1.8 -2,-0.5 25,-1.7 0.791 64.8 40.7 -91.6 -40.3 85.7 56.9 41.0 91 91 O I E -bd 4 115A 0 -88,-1.7 -86,-2.0 23,-0.2 2,-0.4 -0.957 65.3-165.5-117.7 136.7 82.9 54.3 41.0 92 92 O V E -bd 5 116A 0 23,-1.7 25,-2.8 -2,-0.4 2,-0.6 -0.970 12.3-147.5-121.3 131.2 82.8 51.1 39.0 93 93 O V E -bd 6 117A 2 -88,-2.8 -86,-3.1 -2,-0.4 2,-0.9 -0.903 14.6-153.2 -97.0 116.1 79.8 49.0 38.5 94 94 O E E +bd 7 118A 3 23,-3.7 25,-2.4 -2,-0.6 -86,-0.1 -0.846 36.4 145.2 -94.2 105.2 80.9 45.4 38.2 95 95 O S + 0 0 15 -88,-2.9 -85,-0.4 -2,-0.9 -82,-0.3 -0.048 34.6 100.4-133.9 34.9 78.3 43.6 36.1 96 96 O T S S- 0 0 48 -87,-0.1 -88,-0.1 -84,-0.1 -1,-0.1 0.674 82.2-130.7 -86.6 -24.4 80.1 40.9 34.0 97 97 O G S S+ 0 0 55 -3,-0.1 3,-0.2 -89,-0.1 -89,-0.1 0.386 89.6 87.0 86.9 2.7 79.1 38.3 36.5 98 98 O R S S+ 0 0 138 1,-0.2 3,-0.2 2,-0.0 2,-0.2 0.638 76.4 56.1-107.7 -17.3 82.6 37.0 36.6 99 99 O F + 0 0 22 1,-0.2 -1,-0.2 5,-0.1 6,-0.1 -0.387 60.5 127.9-116.7 57.0 84.3 39.1 39.3 100 100 O T + 0 0 27 -3,-0.2 23,-2.4 -2,-0.2 2,-0.4 0.469 49.2 89.4 -87.5 -8.5 82.0 38.5 42.3 101 101 O K B >> S-j 123 0D 80 21,-0.2 4,-2.1 -3,-0.2 3,-1.1 -0.790 84.2-125.3 -89.4 136.9 84.8 37.5 44.7 102 102 O R H 3> S+ 0 0 64 21,-3.0 4,-2.3 -2,-0.4 5,-0.1 0.856 108.9 60.5 -48.5 -40.1 86.3 40.5 46.6 103 103 O E H 34 S+ 0 0 96 20,-0.2 4,-0.3 1,-0.2 -1,-0.3 0.854 111.5 37.4 -54.3 -45.7 89.8 39.5 45.4 104 104 O D H X4 S+ 0 0 55 -3,-1.1 3,-1.6 2,-0.2 4,-0.2 0.907 115.2 50.9 -74.1 -50.8 88.8 40.0 41.7 105 105 O A H >< S+ 0 0 0 -4,-2.1 3,-2.0 1,-0.3 4,-0.4 0.860 100.9 66.8 -56.4 -35.2 86.5 43.0 42.0 106 106 O A T >X S+ 0 0 17 -4,-2.3 4,-1.4 -5,-0.3 3,-1.1 0.731 79.8 79.1 -60.6 -21.9 89.3 44.7 44.0 107 107 O K H <> S+ 0 0 49 -3,-1.6 4,-1.4 1,-0.3 -1,-0.3 0.696 85.5 62.3 -60.2 -20.0 91.4 44.7 40.8 108 108 O H H <4>S+ 0 0 0 -3,-2.0 5,-2.4 2,-0.2 -1,-0.3 0.839 99.2 51.9 -71.9 -38.2 89.3 47.8 39.8 109 109 O L H X45S+ 0 0 41 -3,-1.1 3,-1.0 -4,-0.4 -2,-0.2 0.850 109.0 52.1 -67.3 -31.3 90.6 49.7 42.8 110 110 O E H 3<5S+ 0 0 131 -4,-1.4 -2,-0.2 1,-0.3 -1,-0.2 0.873 102.8 57.1 -69.9 -39.0 94.1 48.7 41.5 111 111 O A T 3<5S- 0 0 11 -4,-1.4 -26,-2.1 -5,-0.2 -27,-0.4 0.424 134.7 -91.6 -70.2 -0.9 93.2 50.1 38.1 112 112 O G T < 5S+ 0 0 32 -3,-1.0 -3,-0.2 1,-0.3 -2,-0.1 0.373 81.9 131.7 112.0 -7.8 92.5 53.3 39.9 113 113 O A < - 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