==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 22-JUL-13 4LSM . COMPND 2 MOLECULE: GLYCERALDEHYDE 3-PHOSPHATE DEHYDROGENASE, CYTOSOL . SOURCE 2 ORGANISM_SCIENTIFIC: TRYPANOSOMA CRUZI; . AUTHOR SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS DISEASE (S . 662 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26011.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 463 69.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 88 13.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 81 12.2 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 . 46 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 77 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 140 21.1 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 4 0 0 0 2 2 2 0 0 2 0 0 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 4 6 0 2 0 2 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 3 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 8 A T 0 0 102 0, 0.0 2,-0.6 0, 0.0 25,-0.2 0.000 360.0 360.0 360.0 155.9 89.1 77.9 11.2 2 9 A I E -a 26 0A 33 23,-3.0 25,-2.6 87,-0.0 2,-0.5 -0.716 360.0-144.8 -80.2 117.2 85.8 78.1 9.5 3 10 A K E -a 27 0A 73 -2,-0.6 87,-2.3 85,-0.2 88,-1.4 -0.760 26.6-178.4 -87.4 124.9 84.2 81.5 10.3 4 11 A I E -ab 28 91A 0 23,-2.8 25,-3.0 -2,-0.5 26,-0.9 -0.867 22.5-147.2-126.0 159.3 80.5 81.3 10.6 5 12 A G E -ab 30 92A 0 86,-2.1 88,-3.2 -2,-0.3 2,-0.5 -0.890 11.6-145.9-115.6 150.6 77.4 83.4 11.3 6 13 A I E -ab 31 93A 0 24,-2.2 26,-2.6 -2,-0.3 2,-0.6 -0.983 6.6-165.5-117.0 125.2 74.1 82.4 13.0 7 14 A N E S+ab 32 94A 3 86,-2.9 88,-2.5 -2,-0.5 89,-0.2 -0.935 74.2 26.9-108.7 111.1 70.8 83.8 11.9 8 15 A G - 0 0 5 24,-3.2 2,-1.3 -2,-0.6 5,-0.3 0.714 67.5-152.0 97.8 94.0 68.2 83.1 14.6 9 16 A F + 0 0 1 23,-0.3 -1,-0.1 4,-0.2 87,-0.1 -0.452 54.4 120.9 -97.6 60.1 69.6 82.8 18.1 10 17 A G S > S- 0 0 26 -2,-1.3 4,-2.9 85,-0.3 5,-0.3 0.121 85.0 -52.0-101.8-149.7 66.8 80.5 19.3 11 18 A R H > S+ 0 0 60 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.947 142.9 33.4 -58.7 -48.3 66.9 76.9 20.8 12 19 A I H > S+ 0 0 35 83,-0.2 4,-3.4 2,-0.2 5,-0.3 0.941 118.1 53.3 -73.9 -46.7 68.9 75.6 17.8 13 20 A G H > S+ 0 0 0 82,-0.4 4,-2.1 -5,-0.3 -2,-0.2 0.920 115.2 41.2 -51.7 -47.4 70.9 78.9 17.2 14 21 A R H X S+ 0 0 26 -4,-2.9 4,-2.5 2,-0.2 -1,-0.2 0.857 115.1 49.3 -71.9 -34.5 72.0 78.9 20.9 15 22 A M H X S+ 0 0 10 -4,-1.7 4,-2.6 -5,-0.3 -2,-0.2 0.856 110.2 51.8 -78.6 -28.3 72.7 75.2 21.1 16 23 A V H X S+ 0 0 0 -4,-3.4 4,-1.4 2,-0.2 -2,-0.2 0.942 109.6 51.1 -63.5 -46.2 74.7 75.5 17.8 17 24 A F H >X S+ 0 0 0 -4,-2.1 3,-0.6 -5,-0.3 4,-0.5 0.939 112.1 45.9 -53.1 -50.1 76.6 78.3 19.6 18 25 A R H >< S+ 0 0 47 -4,-2.5 3,-1.2 1,-0.2 4,-0.3 0.896 108.8 55.8 -62.9 -38.9 77.2 76.0 22.6 19 26 A A H 3< S+ 0 0 7 -4,-2.6 3,-0.5 1,-0.2 -1,-0.2 0.749 103.6 57.0 -64.6 -24.6 78.2 73.1 20.4 20 27 A A H X< S+ 0 0 3 -4,-1.4 3,-1.2 -3,-0.6 6,-0.3 0.640 84.8 80.7 -78.9 -16.5 80.9 75.3 18.8 21 28 A Q T << S+ 0 0 62 -3,-1.2 -1,-0.2 -4,-0.5 -2,-0.1 0.694 96.9 39.7 -80.6 -13.1 82.8 76.2 21.9 22 29 A H T 3 S+ 0 0 185 -3,-0.5 2,-0.4 -4,-0.3 -1,-0.3 0.319 96.9 95.1-109.0 7.3 84.8 73.0 22.3 23 30 A R < - 0 0 55 -3,-1.2 3,-0.2 3,-0.2 -3,-0.0 -0.831 54.8-164.9 -93.2 135.8 85.5 72.7 18.5 24 31 A N S S+ 0 0 157 -2,-0.4 -1,-0.1 1,-0.2 -4,-0.0 0.501 84.0 62.0 -92.7 -4.9 88.8 74.2 17.3 25 32 A D S S+ 0 0 57 -24,-0.1 -23,-3.0 1,-0.1 2,-0.4 0.501 98.5 55.3 -99.9 -6.8 87.7 74.2 13.6 26 33 A I E -a 2 0A 8 -6,-0.3 2,-0.4 -25,-0.2 -23,-0.2 -0.997 57.2-172.6-136.2 133.9 84.8 76.5 13.8 27 34 A E E -a 3 0A 81 -25,-2.6 -23,-2.8 -2,-0.4 2,-0.6 -0.995 20.2-138.2-128.7 124.5 84.5 80.1 15.1 28 35 A I E +a 4 0A 7 -2,-0.4 -23,-0.2 -25,-0.2 3,-0.1 -0.745 27.3 169.7 -79.9 119.6 81.2 82.1 15.4 29 36 A V E + 0 0 15 -25,-3.0 43,-1.7 -2,-0.6 2,-0.3 0.534 60.8 17.6-110.5 -10.6 81.9 85.7 14.2 30 37 A G E -ac 5 72A 0 -26,-0.9 -24,-2.2 41,-0.2 2,-0.4 -0.958 54.6-164.2-162.7 142.5 78.4 87.1 14.1 31 38 A I E -ac 6 73A 0 41,-2.9 43,-1.9 -2,-0.3 2,-0.4 -0.990 8.3-166.4-128.7 139.5 74.9 86.5 15.4 32 39 A N E +ac 7 74A 4 -26,-2.6 -24,-3.2 -2,-0.4 -23,-0.3 -0.981 26.8 124.7-127.4 136.7 71.6 88.0 14.2 33 40 A D S S- 0 0 34 41,-1.7 63,-0.0 -2,-0.4 -23,-0.0 -0.695 70.5 -83.5-155.9-149.4 68.2 87.9 15.8 34 41 A L S S+ 0 0 88 -2,-0.2 2,-0.3 2,-0.1 41,-0.1 -0.307 91.7 101.7-123.0 45.8 65.6 90.6 16.9 35 42 A L S S- 0 0 29 39,-0.4 -2,-0.2 2,-0.0 2,-0.1 -0.942 73.6-109.4-139.4 147.5 67.3 91.4 20.1 36 43 A D > - 0 0 116 -2,-0.3 4,-2.5 1,-0.1 3,-0.3 -0.468 39.2-114.2 -70.0 151.1 69.6 93.8 21.9 37 44 A A H > S+ 0 0 13 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.843 115.4 55.0 -55.4 -41.1 73.1 92.6 22.7 38 45 A D H > S+ 0 0 106 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.907 111.2 44.9 -62.4 -39.9 72.5 92.7 26.5 39 46 A Y H > S+ 0 0 109 -3,-0.3 4,-2.4 2,-0.2 -2,-0.2 0.890 110.0 54.5 -70.8 -39.9 69.4 90.5 26.1 40 47 A M H X S+ 0 0 0 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.898 107.4 51.8 -58.1 -38.9 71.2 88.1 23.7 41 48 A A H X S+ 0 0 6 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.910 109.2 50.0 -63.4 -42.3 73.9 87.7 26.4 42 49 A Y H X S+ 0 0 130 -4,-1.7 4,-1.8 2,-0.2 -2,-0.2 0.885 108.3 52.3 -61.4 -42.4 71.2 86.9 29.0 43 50 A M H < S+ 0 0 37 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.860 114.3 43.1 -64.8 -36.7 69.7 84.3 26.7 44 51 A L H < S+ 0 0 2 -4,-1.8 9,-0.2 -5,-0.2 -2,-0.2 0.870 111.8 54.1 -71.9 -42.1 73.1 82.6 26.2 45 52 A K H < S+ 0 0 86 -4,-2.5 8,-2.3 -5,-0.2 2,-0.4 0.856 111.8 39.8 -64.2 -41.3 74.1 82.8 29.9 46 53 A Y < + 0 0 108 -4,-1.8 2,-0.4 6,-0.2 6,-0.2 -0.933 61.7 176.4-120.2 133.6 71.0 81.1 31.4 47 54 A D > - 0 0 16 -2,-0.4 4,-1.6 1,-0.1 -3,-0.0 -0.977 23.4-153.9-142.0 124.9 69.2 78.0 30.0 48 55 A S T 4 S+ 0 0 134 -2,-0.4 -1,-0.1 1,-0.2 4,-0.1 0.823 98.9 33.9 -65.8 -31.5 66.2 76.2 31.6 49 56 A T T 4 S+ 0 0 30 2,-0.1 -1,-0.2 1,-0.1 187,-0.1 0.863 129.8 27.8 -92.2 -40.8 67.0 72.9 29.9 50 57 A H T 4 S- 0 0 39 1,-0.3 -2,-0.2 235,-0.0 -1,-0.1 0.309 100.7-127.0-113.5 5.8 70.9 72.9 29.6 51 58 A G < - 0 0 35 -4,-1.6 -1,-0.3 2,-0.0 -2,-0.1 -0.115 53.0 -19.5 79.6-176.6 71.9 75.0 32.6 52 59 A R S S- 0 0 194 -6,-0.2 -6,-0.2 1,-0.1 2,-0.1 -0.337 74.4-102.5 -67.1 142.5 74.3 77.9 32.9 53 60 A Y - 0 0 25 -8,-2.3 -1,-0.1 -9,-0.2 4,-0.1 -0.451 26.1-137.7 -63.1 135.1 76.7 78.5 30.0 54 61 A G S S+ 0 0 88 -2,-0.1 2,-0.3 -3,-0.1 -1,-0.1 -0.112 75.2 72.1 -93.2 33.1 80.2 77.4 31.1 55 62 A G S S- 0 0 24 -10,-0.1 2,-0.4 -2,-0.0 -2,-0.1 -0.888 90.9 -91.4-130.9 170.8 82.1 80.4 29.6 56 63 A M - 0 0 72 -2,-0.3 11,-1.9 2,-0.0 2,-0.5 -0.708 40.1-167.6 -79.9 131.5 82.5 84.1 30.4 57 64 A V E +G 66 0B 28 -2,-0.4 2,-0.3 9,-0.2 9,-0.2 -0.979 13.1 166.4-126.9 116.5 79.9 86.2 28.6 58 65 A E E -G 65 0B 50 7,-3.0 7,-3.6 -2,-0.5 2,-0.5 -0.901 29.0-138.6-125.7 154.2 80.4 90.0 28.5 59 66 A V E +G 64 0B 66 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.967 29.5 166.8-109.8 129.3 78.8 92.8 26.5 60 67 A R E > -G 63 0B 52 3,-2.1 3,-2.1 -2,-0.5 -2,-0.0 -0.977 66.7 -10.6-145.7 132.6 81.2 95.5 25.3 61 68 A E T 3 S- 0 0 113 -2,-0.3 3,-0.1 1,-0.3 -1,-0.0 0.846 125.4 -59.5 43.8 42.8 80.5 98.2 22.6 62 69 A G T 3 S+ 0 0 47 1,-0.2 11,-0.4 10,-0.1 2,-0.3 0.584 118.4 99.9 69.3 11.0 77.2 96.5 21.7 63 70 A A E < S-G 60 0B 20 -3,-2.1 -3,-2.1 9,-0.1 2,-0.4 -0.818 77.6-106.3-114.9 161.4 78.9 93.2 20.7 64 71 A L E -GH 59 71B 0 7,-2.2 7,-3.1 -2,-0.3 2,-0.6 -0.736 22.4-158.0 -82.4 138.8 79.2 90.0 22.7 65 72 A V E +GH 58 70B 38 -7,-3.6 -7,-3.0 -2,-0.4 2,-0.5 -0.971 16.8 178.1-111.9 113.7 82.5 89.1 24.1 66 73 A V E > S-GH 57 69B 4 3,-2.1 3,-1.5 -2,-0.6 -9,-0.2 -0.973 72.1 -15.7-119.9 119.4 82.6 85.3 24.8 67 74 A N T 3 S- 0 0 87 -11,-1.9 -1,-0.2 -2,-0.5 -10,-0.1 0.894 129.6 -54.9 52.3 42.1 85.8 83.8 26.2 68 75 A G T 3 S+ 0 0 73 1,-0.2 2,-0.4 -12,-0.2 -1,-0.3 0.564 112.5 116.6 72.4 12.2 87.6 87.1 25.2 69 76 A K E < -H 66 0B 45 -3,-1.5 -3,-2.1 2,-0.0 2,-0.3 -0.947 64.0-123.3-116.6 133.4 86.5 87.0 21.5 70 77 A K E -H 65 0B 82 -2,-0.4 2,-0.5 -5,-0.2 -5,-0.2 -0.552 25.1-171.6 -78.1 129.6 84.3 89.7 19.9 71 78 A I E -H 64 0B 8 -7,-3.1 -7,-2.2 -2,-0.3 -41,-0.2 -0.975 22.4-125.9-123.7 122.5 81.1 88.6 18.2 72 79 A R E -c 30 0A 53 -43,-1.7 -41,-2.9 -2,-0.5 2,-0.5 -0.441 21.2-158.5 -67.7 133.9 79.0 91.0 16.1 73 80 A V E +c 31 0A 23 -11,-0.4 2,-0.3 -43,-0.2 -41,-0.2 -0.978 17.8 167.5-114.4 123.8 75.3 91.3 17.1 74 81 A T E -c 32 0A 27 -43,-1.9 -41,-1.7 -2,-0.5 -39,-0.4 -0.826 29.6-152.7-126.6 167.6 72.8 92.6 14.6 75 82 A S + 0 0 71 -2,-0.3 2,-0.7 -43,-0.2 -43,-0.1 -0.351 33.8 154.0-139.4 53.6 69.0 92.7 14.5 76 83 A E - 0 0 69 1,-0.2 6,-0.1 3,-0.1 -2,-0.1 -0.780 28.9-163.7 -85.0 111.7 68.2 92.8 10.7 77 84 A R S S+ 0 0 190 -2,-0.7 -1,-0.2 1,-0.1 -43,-0.0 0.811 83.8 58.1 -60.9 -32.0 64.8 91.3 10.1 78 85 A D S > S- 0 0 60 1,-0.1 3,-2.1 -3,-0.1 -1,-0.1 -0.906 76.9-153.2-105.7 113.0 65.7 91.0 6.4 79 86 A P G > S+ 0 0 2 0, 0.0 3,-1.7 0, 0.0 4,-0.1 0.697 87.5 76.6 -66.2 -17.5 68.9 88.8 6.0 80 87 A A G 3 S+ 0 0 27 1,-0.3 3,-0.4 2,-0.1 -3,-0.0 0.753 92.9 56.2 -57.2 -23.1 69.8 90.5 2.7 81 88 A N G < S+ 0 0 73 -3,-2.1 -1,-0.3 1,-0.2 27,-0.1 0.271 77.8 101.5 -92.9 11.4 71.0 93.5 4.9 82 89 A L < - 0 0 1 -3,-1.7 -1,-0.2 25,-0.2 -2,-0.1 0.602 66.2-150.5 -83.3 -14.8 73.4 91.4 7.1 83 90 A K > + 0 0 94 -3,-0.4 3,-1.2 -4,-0.1 4,-0.3 0.916 23.2 174.2 48.6 51.7 76.8 92.3 5.5 84 91 A W G >>>S+ 0 0 0 27,-1.7 5,-2.0 1,-0.2 3,-1.4 0.822 70.5 67.8 -60.2 -32.1 78.3 88.9 6.4 85 92 A N G >45S+ 0 0 97 26,-1.0 3,-0.7 1,-0.2 -1,-0.2 0.821 88.0 67.4 -54.2 -31.5 81.5 89.8 4.5 86 93 A E G <45S+ 0 0 133 -3,-1.2 -1,-0.2 1,-0.3 -2,-0.2 0.706 110.9 32.6 -69.8 -19.0 82.3 92.5 7.1 87 94 A V G <45S- 0 0 40 -3,-1.4 -1,-0.3 -4,-0.3 -2,-0.2 0.332 113.7-114.6-112.2 3.0 82.9 89.9 9.8 88 95 A G T <<5 + 0 0 38 -3,-0.7 2,-0.7 -4,-0.6 -85,-0.2 0.763 51.8 168.7 71.8 26.6 84.3 87.3 7.3 89 96 A A < + 0 0 2 -5,-2.0 -1,-0.2 1,-0.2 -85,-0.2 -0.638 9.3 174.7 -76.2 113.0 81.4 84.8 7.8 90 97 A V + 0 0 75 -87,-2.3 24,-2.2 -2,-0.7 25,-2.0 0.831 67.8 34.6 -88.8 -40.4 81.9 82.2 5.1 91 98 A V E S-bd 4 115A 1 -88,-1.4 -86,-2.1 23,-0.2 2,-0.5 -0.964 71.4-156.3-117.5 138.1 79.1 79.8 6.2 92 99 A V E -bd 5 116A 0 23,-2.2 25,-2.6 -2,-0.4 2,-0.7 -0.946 10.4-144.4-115.3 128.6 75.8 80.9 7.7 93 100 A V E -bd 6 117A 0 -88,-3.2 -86,-2.9 -2,-0.5 2,-1.0 -0.853 17.0-153.0 -86.3 116.2 73.6 78.7 9.9 94 101 A E E +bd 7 118A 0 23,-2.8 25,-2.5 -2,-0.7 3,-0.2 -0.796 34.2 150.2-100.4 96.5 70.1 79.7 9.1 95 102 A S + 0 0 14 -88,-2.5 -82,-0.4 -2,-1.0 -85,-0.3 -0.069 36.1 100.6-123.7 29.4 68.0 78.8 12.2 96 103 A T S S- 0 0 48 -89,-0.2 -1,-0.1 -87,-0.1 -88,-0.1 0.703 80.8-131.7 -81.9 -23.1 65.1 81.3 12.3 97 104 A G S S+ 0 0 47 -3,-0.2 3,-0.2 2,-0.1 -2,-0.1 0.401 89.0 86.4 83.0 0.5 62.7 78.7 10.9 98 105 A L S S+ 0 0 130 1,-0.2 2,-0.4 6,-0.0 -3,-0.0 0.566 73.7 59.9-108.8 -14.5 61.5 81.3 8.3 99 106 A F + 0 0 33 1,-0.1 -1,-0.2 5,-0.1 -2,-0.1 -0.611 54.6 138.2-125.9 70.6 63.9 81.0 5.4 100 107 A L + 0 0 20 -2,-0.4 23,-3.6 -3,-0.2 24,-0.7 -0.110 50.5 77.9-114.3 30.6 63.6 77.5 4.1 101 108 A T S > S- 0 0 41 21,-0.2 4,-2.7 22,-0.2 5,-0.3 -0.905 86.9-110.4-129.9 162.6 63.6 78.1 0.4 102 109 A D H > S+ 0 0 57 -2,-0.3 4,-2.5 1,-0.2 5,-0.1 0.936 117.0 50.8 -57.3 -47.5 66.5 78.8 -2.0 103 110 A E H 4 S+ 0 0 159 2,-0.2 4,-0.4 1,-0.2 -1,-0.2 0.878 115.5 40.7 -62.2 -40.9 65.3 82.4 -2.6 104 111 A T H >4 S+ 0 0 33 1,-0.2 3,-1.2 2,-0.2 4,-0.3 0.942 118.4 45.0 -74.9 -47.4 65.0 83.2 1.1 105 112 A A H >< S+ 0 0 0 -4,-2.7 3,-1.7 1,-0.2 4,-0.4 0.840 103.1 66.3 -61.6 -34.9 68.2 81.4 2.2 106 113 A R T >X S+ 0 0 73 -4,-2.5 4,-2.1 -5,-0.3 3,-0.9 0.676 78.8 81.9 -66.9 -14.9 70.1 82.9 -0.7 107 114 A K H <> S+ 0 0 52 -3,-1.2 4,-1.7 -4,-0.4 -1,-0.3 0.844 86.9 58.4 -56.2 -32.6 69.6 86.4 0.8 108 115 A H H <4>S+ 0 0 0 -3,-1.7 5,-2.6 -4,-0.3 -1,-0.3 0.830 104.5 49.1 -63.8 -34.7 72.7 85.5 3.0 109 116 A I H X45S+ 0 0 36 -3,-0.9 3,-1.6 -4,-0.4 -2,-0.2 0.875 109.3 51.5 -72.3 -40.5 74.8 85.0 -0.1 110 117 A Q H 3<5S+ 0 0 133 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.858 106.6 56.8 -58.4 -34.3 73.6 88.4 -1.4 111 118 A A T 3<5S- 0 0 6 -4,-1.7 -27,-1.7 -5,-0.2 -26,-1.0 0.364 133.0 -91.0 -81.9 3.3 74.7 89.6 2.0 112 119 A G T < 5S+ 0 0 36 -3,-1.6 -3,-0.2 1,-0.4 -2,-0.1 0.393 84.0 126.6 108.2 -4.5 78.2 88.3 1.4 113 120 A A < - 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0 0 3 -24,-0.5 4,-1.6 -26,-0.3 5,-0.8 -0.745 26.3-159.4 -74.1 103.2 40.0 58.2 28.8 645 320 B N T 45S+ 0 0 13 -2,-1.1 -1,-0.2 1,-0.2 4,-0.1 0.774 84.4 40.4 -63.7 -28.0 41.8 55.5 30.9 646 321 B E T >5S+ 0 0 13 3,-0.1 4,-1.6 -3,-0.1 -1,-0.2 0.948 122.6 34.0 -79.9 -55.9 39.8 56.4 34.1 647 322 B T H >5S+ 0 0 13 2,-0.2 4,-2.2 3,-0.2 5,-0.2 0.941 117.9 44.3 -75.1 -54.4 36.3 57.1 32.8 648 323 B G H X5S+ 0 0 0 -4,-1.6 4,-2.3 -30,-0.5 5,-0.2 0.959 115.9 47.6 -59.4 -50.4 35.7 54.7 29.9 649 324 B Y H >X S+ 0 0 51 -4,-2.3 3,-0.6 1,-0.2 4,-0.6 0.955 111.7 44.2 -62.2 -50.8 26.2 41.7 32.1 660 335 B I H 3< S+ 0 0 0 -4,-3.1 3,-0.3 1,-0.2 -1,-0.2 0.779 110.4 57.5 -69.1 -23.4 27.4 38.9 34.5 661 336 B S H 3< S+ 0 0 46 -4,-1.6 -1,-0.2 -5,-0.3 -2,-0.2 0.791 109.4 43.9 -73.3 -29.9 24.4 39.5 36.8 662 337 B A H << 0 0 79 -4,-1.4 -1,-0.2 -3,-0.6 -2,-0.2 0.453 360.0 360.0 -92.1 -1.2 21.9 38.9 34.0 663 338 B H < 0 0 132 -4,-0.6 -2,-0.2 -3,-0.3 -1,-0.1 0.193 360.0 360.0-137.5 360.0 23.7 35.8 32.7