==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 08-JUN-95 1GSA . COMPND 2 MOLECULE: GLUTATHIONE SYNTHETASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR T.HARA,H.KATO,T.NISHIOKA,Y.KATSUBE,J.ODA . 314 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13821.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 232 73.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 15 4.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 62 19.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 1.0 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 . 33 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 72 22.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.9 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 0 0 1 1 1 0 0 2 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 1 1 0 0 0 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 1 3 3 1 1 1 1 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 0 1 0 1 1 0 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 1 A M 0 0 132 0, 0.0 2,-0.3 0, 0.0 32,-0.1 0.000 360.0 360.0 360.0-174.9 31.5 -6.0 49.6 2 2 A I - 0 0 36 30,-0.1 32,-2.6 78,-0.0 2,-0.6 -0.700 360.0-147.9 -82.3 141.0 29.2 -3.4 51.0 3 3 A K E -a 34 0A 60 -2,-0.3 78,-2.2 30,-0.2 79,-1.3 -0.981 18.5-171.9-109.2 119.6 29.8 0.0 49.5 4 4 A L E -ab 35 82A 0 30,-2.3 32,-2.3 -2,-0.6 2,-0.3 -0.931 4.7-162.0-115.2 138.1 29.1 2.6 52.1 5 5 A G E -ab 36 83A 0 77,-2.6 79,-2.3 -2,-0.4 2,-0.4 -0.769 1.7-158.7-111.4 161.9 28.9 6.3 51.3 6 6 A I E -ab 37 84A 1 30,-1.8 32,-2.5 -2,-0.3 2,-0.6 -0.987 8.7-158.9-140.4 131.3 29.2 9.2 53.8 7 7 A V E +ab 38 85A 0 77,-2.6 79,-2.2 -2,-0.4 2,-0.3 -0.955 39.5 144.4-103.5 123.5 28.0 12.8 53.4 8 8 A M - 0 0 4 30,-1.9 32,-0.3 -2,-0.6 79,-0.2 -0.944 54.0 -84.1-152.0 170.6 30.0 14.8 55.9 9 9 A D S S- 0 0 42 77,-0.5 5,-0.1 -2,-0.3 4,-0.1 -0.393 83.3 -52.5 -71.9 161.6 31.7 18.2 56.6 10 10 A P > - 0 0 48 0, 0.0 3,-1.8 0, 0.0 -1,-0.2 -0.077 46.0-153.5 -50.2 119.5 35.3 18.4 55.2 11 11 A I G > S+ 0 0 2 1,-0.3 3,-1.4 2,-0.2 55,-0.1 0.789 92.0 68.7 -63.5 -26.5 37.4 15.5 56.4 12 12 A A G 3 S+ 0 0 54 1,-0.3 -1,-0.3 3,-0.0 54,-0.0 0.656 102.2 47.0 -66.7 -10.4 40.5 17.5 56.0 13 13 A N G < S+ 0 0 136 -3,-1.8 -1,-0.3 -4,-0.1 -2,-0.2 0.220 88.3 107.0-116.6 12.2 39.2 19.6 59.0 14 14 A I < - 0 0 24 -3,-1.4 2,-0.7 -5,-0.1 3,-0.0 -0.528 67.0-127.7 -92.4 161.2 38.2 17.0 61.5 15 15 A N >> - 0 0 88 -2,-0.2 4,-2.5 1,-0.1 3,-1.6 -0.927 16.3-158.4-105.8 106.7 40.0 16.1 64.7 16 16 A I T 34 S+ 0 0 4 -2,-0.7 -1,-0.1 1,-0.3 7,-0.1 0.675 86.4 66.8 -67.5 -13.7 40.4 12.3 64.5 17 17 A K T 34 S+ 0 0 114 1,-0.1 -1,-0.3 -3,-0.0 44,-0.0 0.829 119.4 17.4 -71.8 -30.0 40.8 12.1 68.3 18 18 A K T <4 S+ 0 0 96 -3,-1.6 271,-0.4 273,-0.1 273,-0.4 0.637 95.1 112.0-115.5 -21.6 37.2 13.2 68.9 19 19 A D X - 0 0 37 -4,-2.5 4,-1.5 1,-0.1 269,-0.0 -0.372 42.4-167.8 -71.9 127.1 35.3 12.7 65.7 20 20 A S H > S+ 0 0 0 -2,-0.3 4,-2.1 2,-0.2 5,-0.2 0.861 85.5 59.9 -81.3 -30.7 32.7 10.0 65.5 21 21 A S H > S+ 0 0 3 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.948 108.5 49.2 -57.6 -40.4 32.2 9.9 61.7 22 22 A F H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.943 107.0 51.9 -64.8 -49.2 35.8 9.0 61.5 23 23 A A H X S+ 0 0 5 -4,-1.5 4,-1.6 1,-0.2 -1,-0.2 0.894 110.1 51.6 -54.2 -40.2 35.6 6.2 64.1 24 24 A M H X S+ 0 0 3 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.939 107.9 50.7 -63.4 -46.8 32.7 4.7 62.1 25 25 A L H X S+ 0 0 1 -4,-2.2 4,-2.3 2,-0.2 5,-0.2 0.906 106.7 54.9 -60.7 -38.5 34.8 4.8 58.8 26 26 A L H X S+ 0 0 39 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.936 111.4 45.8 -61.4 -38.8 37.7 2.9 60.6 27 27 A E H X S+ 0 0 20 -4,-1.6 4,-1.4 -5,-0.2 -2,-0.2 0.899 110.7 50.7 -70.9 -41.6 35.3 0.2 61.6 28 28 A A H <>S+ 0 0 0 -4,-2.4 5,-2.3 2,-0.2 4,-0.5 0.914 114.1 46.2 -61.8 -37.5 33.6 -0.0 58.1 29 29 A Q H ><5S+ 0 0 63 -4,-2.3 3,-1.3 1,-0.2 -2,-0.2 0.914 107.1 56.4 -71.0 -42.2 37.2 -0.3 56.6 30 30 A R H 3<5S+ 0 0 170 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.792 108.5 49.8 -56.9 -31.6 38.2 -2.9 59.2 31 31 A R T 3<5S- 0 0 70 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.563 122.5-106.8 -86.2 -8.8 35.1 -4.9 58.0 32 32 A G T < 5 + 0 0 45 -3,-1.3 -3,-0.2 -4,-0.5 2,-0.2 0.631 63.8 151.9 98.6 17.9 36.1 -4.6 54.3 33 33 A Y < - 0 0 16 -5,-2.3 2,-0.6 -32,-0.1 -1,-0.3 -0.562 49.0-119.5 -80.9 153.2 33.5 -2.1 53.0 34 34 A E E -a 3 0A 64 -32,-2.6 -30,-2.3 -2,-0.2 2,-0.4 -0.779 32.3-144.2 -87.3 123.2 34.3 0.1 50.1 35 35 A L E -aC 4 57A 5 22,-0.6 22,-2.4 -2,-0.6 2,-0.5 -0.733 14.9-168.7-101.4 130.7 34.1 3.7 51.3 36 36 A H E -aC 5 56A 4 -32,-2.3 -30,-1.8 -2,-0.4 2,-0.4 -0.974 13.0-150.6-118.4 115.8 32.8 6.6 49.1 37 37 A Y E +aC 6 55A 0 18,-2.9 18,-1.0 -2,-0.5 2,-0.3 -0.708 19.6 172.0 -87.9 132.9 33.3 10.1 50.5 38 38 A M E -a 7 0A 0 -32,-2.5 -30,-1.9 -2,-0.4 2,-0.3 -0.972 18.9-160.1-138.3 152.2 30.9 12.9 49.7 39 39 A E > - 0 0 60 -2,-0.3 3,-2.1 -32,-0.2 4,-0.4 -0.842 46.3 -94.5-117.3 165.2 30.4 16.5 50.8 40 40 A M G > S+ 0 0 49 -32,-0.3 3,-1.0 -2,-0.3 -31,-0.1 0.804 122.4 58.0 -52.5 -35.5 27.0 18.4 50.3 41 41 A G G 3 S+ 0 0 78 1,-0.2 -1,-0.3 11,-0.0 12,-0.0 0.642 95.9 64.7 -73.4 -14.3 28.2 20.0 47.0 42 42 A D G < S+ 0 0 28 -3,-2.1 11,-1.7 10,-0.1 2,-0.3 0.607 86.5 83.8 -81.9 -18.5 28.9 16.6 45.3 43 43 A L E < +D 52 0A 14 -3,-1.0 2,-0.3 -4,-0.4 9,-0.2 -0.674 55.0 157.4 -90.6 144.9 25.2 15.4 45.4 44 44 A Y E -D 51 0A 82 7,-2.3 7,-2.4 -2,-0.3 2,-0.4 -0.956 34.5-127.3-156.8 173.2 22.8 16.4 42.7 45 45 A L E -D 50 0A 81 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.997 17.1-177.8-130.5 128.3 19.6 15.5 41.0 46 46 A I E > S-D 49 0A 80 3,-1.9 3,-2.2 -2,-0.4 -2,-0.0 -0.991 82.2 -22.8-131.0 110.5 19.3 15.1 37.2 47 47 A N T 3 S- 0 0 158 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.880 126.2 -52.7 51.6 44.4 15.7 14.3 36.2 48 48 A G T 3 S+ 0 0 25 1,-0.2 2,-0.5 0, 0.0 -1,-0.3 0.509 109.2 123.3 78.1 4.5 14.9 12.9 39.6 49 49 A E E < -D 46 0A 86 -3,-2.2 -3,-1.9 28,-0.0 2,-0.5 -0.877 58.6-138.1 -97.6 124.0 17.9 10.5 39.7 50 50 A A E +D 45 0A 6 -2,-0.5 27,-1.7 -5,-0.2 28,-0.5 -0.742 35.7 162.6 -81.0 129.2 20.1 11.2 42.7 51 51 A R E -DE 44 76A 49 -7,-2.4 -7,-2.3 -2,-0.5 2,-0.3 -0.890 15.6-167.6-140.8 167.6 23.7 11.0 41.7 52 52 A A E -DE 43 75A 0 23,-2.5 23,-2.3 -2,-0.3 2,-0.8 -0.996 29.5-121.3-157.9 152.7 27.1 12.2 43.2 53 53 A H E - E 0 74A 49 -11,-1.7 21,-0.3 -2,-0.3 2,-0.3 -0.873 46.4-177.5 -87.7 115.7 30.7 12.7 42.5 54 54 A T E - E 0 73A 0 19,-2.9 19,-2.0 -2,-0.8 2,-0.4 -0.703 23.2-145.7-112.5 170.2 32.3 10.4 45.1 55 55 A R E -CE 37 72A 47 -18,-1.0 -18,-2.9 -2,-0.3 2,-0.4 -0.995 26.3-120.0-130.4 129.9 35.9 9.8 45.9 56 56 A T E -C 36 0A 23 15,-2.0 14,-2.9 -2,-0.4 2,-0.3 -0.683 39.9-147.0 -75.5 129.4 36.9 6.2 47.1 57 57 A L E -CE 35 69A 6 -22,-2.4 -22,-0.6 -2,-0.4 2,-0.4 -0.762 25.7-172.5-110.7 147.3 38.3 6.7 50.5 58 58 A N E - E 0 68A 65 10,-2.3 10,-1.3 -2,-0.3 2,-0.3 -0.997 18.2-169.2-127.4 118.0 41.0 5.0 52.6 59 59 A V E + E 0 67A 0 -2,-0.4 2,-0.3 8,-0.2 8,-0.2 -0.805 8.3 174.7-114.0 156.5 41.2 6.2 56.3 60 60 A K - 0 0 64 6,-1.9 2,-2.2 -2,-0.3 5,-0.0 -0.969 42.9-107.4-156.5 145.7 43.9 5.5 58.9 61 61 A Q S S+ 0 0 78 -2,-0.3 2,-0.4 2,-0.1 5,-0.1 -0.485 72.6 127.5 -69.2 77.7 44.6 6.6 62.4 62 62 A N - 0 0 59 -2,-2.2 -2,-0.2 1,-0.1 -46,-0.1 -0.993 51.3-152.8-140.9 123.8 47.5 8.8 61.5 63 63 A Y S S+ 0 0 116 -2,-0.4 3,-0.2 1,-0.2 -1,-0.1 0.453 96.5 49.8 -82.5 -1.1 47.6 12.4 62.6 64 64 A E S S+ 0 0 177 1,-0.2 2,-0.3 0, 0.0 -1,-0.2 0.756 133.1 6.5 -98.3 -39.4 49.8 13.6 59.7 65 65 A E + 0 0 110 1,-0.1 -1,-0.2 -5,-0.0 -2,-0.1 -0.817 63.9 164.6-148.1 102.0 47.6 11.9 57.1 66 66 A W + 0 0 45 -2,-0.3 -6,-1.9 -3,-0.2 2,-0.3 0.500 66.2 28.6-102.2 -2.5 44.3 10.3 58.1 67 67 A F E -E 59 0A 45 -8,-0.2 2,-0.3 -6,-0.0 -8,-0.2 -0.977 53.5-175.8-148.8 159.9 42.6 9.9 54.7 68 68 A S E -E 58 0A 37 -10,-1.3 -10,-2.3 -2,-0.3 2,-0.5 -0.948 23.3-132.6-153.8 143.8 43.5 9.4 51.1 69 69 A F E -E 57 0A 70 -2,-0.3 -12,-0.2 -12,-0.2 2,-0.2 -0.884 14.7-170.1 -97.8 124.8 41.3 9.3 48.0 70 70 A V E - 0 0 84 -14,-2.9 2,-0.2 -2,-0.5 -13,-0.1 -0.372 66.1 -27.4-113.1 51.5 42.1 6.4 45.8 71 71 A G E - 0 0 38 -2,-0.2 -15,-2.0 -15,-0.1 2,-0.3 -0.458 58.7-131.9 125.5 160.5 39.9 7.4 42.8 72 72 A E E +E 55 0A 129 -17,-0.3 2,-0.3 -2,-0.2 -17,-0.2 -0.943 22.7 166.5-145.8 160.0 36.8 9.3 42.0 73 73 A Q E -E 54 0A 66 -19,-2.0 -19,-2.9 -2,-0.3 2,-0.5 -0.962 35.6-118.5-166.7 160.2 33.7 8.7 39.9 74 74 A D E +E 53 0A 74 -2,-0.3 -21,-0.2 -21,-0.3 -2,-0.0 -0.949 47.2 159.4-106.6 125.0 30.3 10.0 39.2 75 75 A L E -E 52 0A 14 -23,-2.3 -23,-2.5 -2,-0.5 2,-0.3 -0.945 47.4 -97.7-138.3 161.1 27.7 7.4 40.1 76 76 A P E > -E 51 0A 25 0, 0.0 3,-1.9 0, 0.0 -25,-0.3 -0.663 35.2-129.3 -68.7 138.9 24.0 7.1 40.9 77 77 A L G > S+ 0 0 0 -27,-1.7 3,-2.7 -2,-0.3 -26,-0.1 0.830 104.0 74.5 -65.5 -28.1 23.7 7.0 44.7 78 78 A A G 3 S+ 0 0 40 -28,-0.5 -1,-0.3 1,-0.3 -27,-0.1 0.559 82.3 73.2 -57.5 -11.5 21.4 3.9 44.3 79 79 A D G < S+ 0 0 87 -3,-1.9 -1,-0.3 31,-0.0 2,-0.3 0.584 85.8 76.3 -75.8 -13.1 24.7 2.1 43.6 80 80 A L S < S- 0 0 3 -3,-2.7 -76,-0.2 -4,-0.1 3,-0.1 -0.713 71.4-148.1-100.6 153.7 25.7 2.3 47.2 81 81 A D S S+ 0 0 61 -78,-2.2 30,-2.4 1,-0.3 2,-0.3 0.801 82.0 14.2 -86.9 -30.2 24.2 0.0 49.8 82 82 A V E -bf 4 111A 0 -79,-1.3 -77,-2.6 28,-0.2 2,-0.4 -0.987 60.1-165.0-145.7 136.2 24.3 2.4 52.8 83 83 A I E -bf 5 112A 0 28,-2.1 30,-2.2 -2,-0.3 2,-0.6 -0.999 13.8-149.4-122.7 129.6 24.8 6.2 53.0 84 84 A L E -bf 6 113A 2 -79,-2.3 -77,-2.6 -2,-0.4 2,-1.0 -0.902 7.4-150.7 -96.8 120.0 25.6 7.7 56.4 85 85 A M E +b 7 0A 4 28,-2.8 -77,-0.1 -2,-0.6 -79,-0.1 -0.790 33.6 155.5 -92.0 100.5 24.3 11.2 56.6 86 86 A R + 0 0 11 -79,-2.2 -77,-0.5 -2,-1.0 2,-0.2 0.046 14.2 141.1-117.2 25.9 26.7 12.8 59.0 87 87 A K - 0 0 42 -79,-0.2 -79,-0.1 198,-0.1 -2,-0.0 -0.526 51.4-120.4 -70.1 136.0 26.4 16.6 58.0 88 88 A D - 0 0 60 -2,-0.2 -1,-0.1 1,-0.1 -2,-0.0 -0.422 39.7 -77.3 -76.0 152.8 26.6 18.8 61.1 89 89 A P + 0 0 13 0, 0.0 2,-0.2 0, 0.0 75,-0.1 -0.102 69.8 114.8 -58.2 169.4 23.8 21.2 62.1 90 90 A P - 0 0 65 0, 0.0 2,-1.0 0, 0.0 5,-0.2 0.307 59.8-136.7 -64.5 154.1 22.4 23.8 61.6 91 91 A F + 0 0 61 72,-1.2 2,-0.3 -2,-0.2 71,-0.0 -0.812 48.2 149.4 -80.4 104.3 19.2 22.5 60.5 92 92 A D > - 0 0 71 -2,-1.0 4,-1.7 1,-0.0 3,-0.1 -0.795 64.4 -90.0-130.8-177.6 18.6 24.8 57.6 93 93 A T H > S+ 0 0 80 -2,-0.3 4,-2.9 2,-0.2 5,-0.2 0.843 123.1 60.4 -69.0 -31.3 16.8 24.5 54.3 94 94 A E H > S+ 0 0 106 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.929 104.6 50.1 -57.3 -42.8 20.1 23.2 52.5 95 95 A F H > S+ 0 0 3 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.940 111.4 48.9 -59.2 -47.1 20.0 20.3 55.0 96 96 A I H X S+ 0 0 31 -4,-1.7 4,-1.0 2,-0.2 3,-0.4 0.926 108.6 52.6 -60.9 -44.9 16.4 19.7 54.0 97 97 A Y H >X S+ 0 0 115 -4,-2.9 4,-1.3 1,-0.3 3,-1.0 0.924 106.0 54.8 -62.2 -39.9 17.1 19.8 50.3 98 98 A A H 3X S+ 0 0 6 -4,-2.5 4,-2.8 1,-0.2 3,-0.3 0.885 100.9 59.3 -60.5 -31.9 19.9 17.3 50.7 99 99 A T H 3X S+ 0 0 0 -4,-1.5 4,-1.9 -3,-0.4 -1,-0.2 0.818 101.9 53.2 -72.0 -22.0 17.4 14.9 52.4 100 100 A Y H X S+ 0 0 27 -4,-1.3 4,-1.1 -3,-0.3 3,-0.6 0.938 112.8 46.8 -68.3 -46.6 18.2 13.9 47.2 102 102 A L H 3X S+ 0 0 1 -4,-2.8 4,-2.3 1,-0.2 3,-0.3 0.898 108.0 58.8 -65.7 -29.1 19.1 11.2 49.7 103 103 A E H 3X S+ 0 0 39 -4,-1.9 4,-1.8 -5,-0.3 -1,-0.2 0.832 98.6 56.4 -69.3 -29.9 15.4 10.1 49.5 104 104 A R H <>S+ 0 0 2 -4,-1.1 5,-1.4 -3,-0.3 3,-1.3 0.918 108.3 57.1 -70.6 -44.6 18.4 7.0 46.3 106 106 A E H ><5S+ 0 0 39 -4,-2.3 3,-1.8 1,-0.3 -2,-0.2 0.873 102.0 55.2 -60.7 -34.0 16.5 5.4 49.2 107 107 A E H 3<5S+ 0 0 107 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.778 102.6 56.0 -68.8 -22.4 13.5 4.7 46.9 108 108 A K T <<5S- 0 0 133 -3,-1.3 -1,-0.3 -4,-0.6 -2,-0.2 0.272 133.8 -92.7 -88.2 8.9 15.9 2.8 44.6 109 109 A G T < 5S+ 0 0 65 -3,-1.8 2,-0.3 1,-0.3 -3,-0.2 0.528 76.9 141.1 97.7 8.1 16.8 0.7 47.7 110 110 A T < - 0 0 4 -5,-1.4 2,-0.4 -8,-0.1 -1,-0.3 -0.615 51.8-124.3 -75.6 140.6 19.9 2.4 49.4 111 111 A L E -f 82 0A 28 -30,-2.4 -28,-2.1 -2,-0.3 2,-0.5 -0.774 24.4-158.1 -84.7 133.0 19.8 2.4 53.2 112 112 A I E -f 83 0A 2 -2,-0.4 2,-0.5 -30,-0.2 -28,-0.2 -0.958 12.4-132.9-117.4 129.0 20.1 5.9 54.6 113 113 A V E S+f 84 0A 9 -30,-2.2 -28,-2.8 -2,-0.5 2,-0.1 -0.951 98.7 23.2-117.2 102.4 21.3 6.3 58.3 114 114 A N S S- 0 0 6 -2,-0.5 -1,-0.3 152,-0.4 153,-0.2 0.624 106.2-111.6 -93.2 171.4 19.4 8.2 59.4 115 115 A K > - 0 0 62 151,-1.7 4,-1.9 150,-0.2 3,-0.1 -0.372 20.7-136.4 -62.8 128.7 16.1 8.1 57.3 116 116 A P H > S+ 0 0 1 0, 0.0 4,-1.2 0, 0.0 5,-0.2 0.858 102.4 50.9 -59.1 -43.0 15.6 11.3 55.3 117 117 A Q H >> S+ 0 0 85 1,-0.2 4,-1.5 2,-0.2 3,-0.6 0.949 111.1 48.1 -62.3 -49.4 11.9 11.6 56.1 118 118 A S H 3> S+ 0 0 3 147,-0.3 4,-2.9 1,-0.2 -1,-0.2 0.853 104.8 60.5 -58.8 -29.5 12.6 11.2 59.8 119 119 A L H 3< S+ 0 0 3 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.816 110.7 41.5 -66.4 -28.8 15.4 13.9 59.7 120 120 A R H << S+ 0 0 60 -4,-1.2 -1,-0.2 -3,-0.6 -2,-0.2 0.691 119.0 45.1 -85.2 -28.8 12.8 16.4 58.5 121 121 A D H < S+ 0 0 81 -4,-1.5 2,-0.9 1,-0.2 -2,-0.2 0.818 109.0 57.6 -80.6 -36.9 10.1 15.2 61.0 122 122 A C < - 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