==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-APR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 02-FEB-10 3LN6 . COMPND 2 MOLECULE: GLUTATHIONE BIOSYNTHESIS BIFUNCTIONAL PROTEIN GSH . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS AGALACTIAE SEROGROUP V; . AUTHOR J.STOUT,B.VERGAUWEN,S.N.SAVVIDES . 743 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32079.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 472 63.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 0.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 98 13.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.4 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 . 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 . 43 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 66 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 224 30.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 1.2 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 1 1 0 1 3 2 1 1 0 1 3 3 1 1 1 0 0 0 0 0 0 0 1 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 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 0 0 0 PARALLEL BRIDGES PER LADDER . 4 2 5 3 3 3 1 0 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 . 2 1 2 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 4 A D 0 0 128 0, 0.0 308,-0.0 0, 0.0 305,-0.0 0.000 360.0 360.0 360.0 -62.1 18.3 -17.1 27.9 2 5 A R - 0 0 92 307,-0.1 307,-0.2 1,-0.1 2,-0.1 -0.199 360.0-152.1 -66.0 151.2 21.5 -18.7 28.9 3 6 A L > + 0 0 103 1,-0.1 3,-1.6 306,-0.1 -1,-0.1 -0.500 38.7 145.2-124.8 62.8 22.5 -18.6 32.6 4 7 A L G > + 0 0 23 1,-0.3 3,-1.8 2,-0.2 -1,-0.1 0.449 60.9 85.4 -81.3 0.0 26.4 -18.8 32.6 5 8 A Q G 3 S+ 0 0 40 1,-0.3 -1,-0.3 301,-0.2 302,-0.1 0.802 77.0 71.5 -60.1 -29.6 26.1 -16.5 35.6 6 9 A R G < S+ 0 0 92 -3,-1.6 -1,-0.3 301,-0.1 -2,-0.2 0.708 84.4 106.5 -54.2 -22.1 25.8 -20.0 37.1 7 10 A S S < S- 0 0 12 -3,-1.8 147,-0.0 1,-0.1 -3,-0.0 -0.157 83.7 -77.9 -71.2 158.6 29.5 -20.3 36.2 8 11 A H > - 0 0 107 1,-0.1 3,-1.7 2,-0.1 -1,-0.1 -0.153 32.2-127.6 -60.3 140.9 32.4 -20.2 38.6 9 12 A S T 3 S+ 0 0 66 1,-0.3 4,-0.2 346,-0.1 -1,-0.1 0.660 99.5 80.3 -64.0 -21.8 33.6 -16.9 40.0 10 13 A H T 3 S+ 0 0 88 2,-0.1 -1,-0.3 0, 0.0 -2,-0.1 0.718 74.4 98.7 -59.2 -20.0 37.2 -17.5 38.9 11 14 A L S < S- 0 0 10 -3,-1.7 2,-1.4 1,-0.1 3,-0.2 -0.499 82.6-123.2 -72.3 138.6 36.0 -16.4 35.4 12 15 A P > + 0 0 58 0, 0.0 3,-1.3 0, 0.0 135,-0.2 -0.625 35.3 170.0 -89.3 84.5 36.8 -12.8 34.6 13 16 A I T 3 S+ 0 0 16 -2,-1.4 134,-0.2 1,-0.3 137,-0.0 0.828 77.2 62.7 -59.8 -30.6 33.5 -11.1 33.8 14 17 A L T 3 S+ 0 0 44 -3,-0.2 -1,-0.3 132,-0.1 2,-0.1 0.698 75.2 112.6 -71.1 -18.8 35.3 -7.7 33.8 15 18 A Q < + 0 0 71 -3,-1.3 132,-1.5 132,-0.1 2,-0.3 -0.373 43.3 128.4 -61.9 130.6 37.5 -8.7 30.9 16 19 A A E -A 146 0A 9 53,-0.5 2,-0.5 130,-0.3 130,-0.2 -0.977 54.8-113.5-172.9 166.2 36.6 -6.5 27.9 17 20 A T E -A 145 0A 60 128,-3.0 128,-2.1 -2,-0.3 2,-0.3 -0.983 32.9-159.4-119.7 126.5 37.9 -4.2 25.2 18 21 A F E +AB 144 68A 8 50,-3.0 50,-3.3 -2,-0.5 2,-0.3 -0.803 13.2 179.8-111.2 148.6 36.9 -0.6 25.3 19 22 A G E -A 143 0A 10 124,-1.9 124,-2.1 -2,-0.3 2,-0.4 -0.972 10.8-155.9-136.5 154.2 36.8 2.1 22.6 20 23 A L E -A 142 0A 6 45,-0.4 45,-1.7 46,-0.4 2,-0.4 -0.929 8.6-175.6-143.0 120.5 35.7 5.7 23.0 21 24 A E E -AC 141 64A 32 120,-1.9 120,-2.2 -2,-0.4 2,-0.4 -0.931 7.1-173.6-115.8 129.9 34.5 8.2 20.4 22 25 A R E -AC 140 63A 11 41,-3.2 41,-3.6 -2,-0.4 2,-0.4 -0.984 4.7-169.2-126.3 131.9 33.7 11.8 21.2 23 26 A E E + C 0 62A 19 116,-0.9 2,-0.3 -2,-0.4 39,-0.3 -0.952 13.2 167.9-119.1 135.5 32.1 14.4 18.9 24 27 A S E - C 0 61A 0 37,-3.3 37,-4.3 -2,-0.4 2,-0.4 -0.990 33.9-116.9-144.4 146.8 32.0 18.1 19.8 25 28 A L E - C 0 60A 8 71,-0.4 71,-2.7 -2,-0.3 2,-0.5 -0.675 27.6-127.5 -79.5 129.0 31.2 21.3 17.9 26 29 A R E -G 95 0B 1 33,-1.3 9,-2.1 -2,-0.4 2,-0.5 -0.655 30.9-155.5 -70.5 126.4 34.0 23.8 17.6 27 30 A I E -GH 94 34B 1 67,-3.4 67,-1.9 -2,-0.5 2,-0.7 -0.919 14.1-139.2-115.6 131.7 32.6 27.0 18.9 28 31 A H E > -GH 93 33B 45 5,-3.8 5,-2.2 -2,-0.5 4,-0.5 -0.775 18.3-159.4 -85.6 112.5 33.9 30.5 17.9 29 32 A Q T > 5S+ 0 0 101 63,-1.5 3,-0.6 -2,-0.7 -1,-0.2 0.904 84.1 46.8 -68.4 -49.0 33.8 32.4 21.2 30 33 A P T 3 5S+ 0 0 78 0, 0.0 -1,-0.2 0, 0.0 63,-0.1 0.901 120.6 41.1 -58.9 -42.9 33.7 36.1 20.1 31 34 A T T 3 5S- 0 0 91 2,-0.2 -2,-0.2 4,-0.0 3,-0.1 0.513 100.8-139.4 -83.1 -3.8 31.0 35.2 17.6 32 35 A Q T < 5 + 0 0 37 -3,-0.6 2,-0.3 -4,-0.5 -3,-0.2 0.901 69.5 101.3 48.4 40.3 29.3 33.0 20.2 33 36 A R E > - 0 0 22 -2,-0.2 4,-1.8 390,-0.2 3,-0.8 0.144 35.6-131.3 -37.2 142.6 45.1 15.0 7.5 46 49 A R T 34 S+ 0 0 83 1,-0.2 -1,-0.2 2,-0.2 8,-0.1 0.635 104.8 68.7 -68.5 -12.0 41.5 14.0 7.9 47 50 A N T 34 S+ 0 0 86 1,-0.1 -1,-0.2 6,-0.0 -2,-0.1 0.751 117.0 13.1 -81.6 -27.8 42.4 11.2 5.4 48 51 A Y T <4 S+ 0 0 76 -3,-0.8 -2,-0.2 405,-0.0 -1,-0.1 0.528 89.0 123.0-125.2 -5.9 44.6 9.2 7.7 49 52 A H < - 0 0 3 -4,-1.8 388,-0.1 1,-0.1 387,-0.1 -0.403 34.4-173.7 -72.1 122.3 44.1 10.5 11.3 50 53 A P S S+ 0 0 33 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.695 80.5 32.5 -86.3 -23.0 43.0 7.7 13.7 51 54 A Y S S+ 0 0 4 382,-0.2 13,-3.8 1,-0.2 2,-0.4 0.771 116.1 45.4-108.1 -34.4 42.2 9.8 16.7 52 55 A I E +D 63 0A 1 11,-0.3 -1,-0.2 381,-0.2 11,-0.2 -0.955 67.0 122.1-124.8 128.2 40.9 13.2 15.5 53 56 A Q E -D 62 0A 51 9,-3.1 9,-3.9 -2,-0.4 2,-0.4 -0.780 54.1 -86.8-158.8-171.6 38.4 13.8 12.8 54 57 A T E -D 61 0A 24 7,-0.3 7,-0.2 -2,-0.2 4,-0.1 -0.985 23.3-158.0-122.8 124.7 35.0 15.5 11.7 55 58 A D S S- 0 0 62 5,-0.6 -1,-0.1 -2,-0.4 3,-0.1 0.939 72.6 -38.8 -69.7 -54.9 31.7 13.6 12.2 56 59 A Y S S+ 0 0 24 1,-0.6 56,-2.4 4,-0.2 2,-0.2 0.458 125.1 46.3-138.5 -61.2 29.3 15.3 9.7 57 60 A S B S-I 111 0C 2 78,-0.4 -1,-0.6 54,-0.2 54,-0.2 -0.592 82.9-118.3 -85.8 154.6 29.8 19.0 9.6 58 61 A E S S+ 0 0 10 52,-1.8 -1,-0.1 1,-0.2 53,-0.1 0.800 116.5 53.2 -58.4 -37.5 33.3 20.6 9.4 59 62 A P S S+ 0 0 3 0, 0.0 -33,-1.3 0, 0.0 2,-0.4 0.902 89.1 89.3 -61.8 -45.2 32.7 22.3 12.8 60 63 A Q E -C 25 0A 0 -35,-0.2 -5,-0.6 -37,-0.1 2,-0.4 -0.426 67.3-159.7 -65.7 119.3 31.8 18.9 14.5 61 64 A L E -CD 24 54A 5 -37,-4.3 -37,-3.3 -2,-0.4 2,-0.5 -0.833 5.4-163.0-105.9 131.1 35.0 17.5 15.8 62 65 A E E -CD 23 53A 35 -9,-3.9 -9,-3.1 -2,-0.4 2,-0.5 -0.972 3.3-164.4-121.2 125.1 35.3 13.8 16.6 63 66 A L E -CD 22 52A 1 -41,-3.6 -41,-3.2 -2,-0.5 2,-0.4 -0.920 8.9-166.5-109.2 122.8 38.0 12.2 18.7 64 67 A I E -C 21 0A 29 -13,-3.8 -43,-0.2 -2,-0.5 -2,-0.0 -0.906 10.3-142.1-114.7 133.6 38.3 8.5 18.4 65 68 A T - 0 0 10 -45,-1.7 -45,-0.4 -2,-0.4 3,-0.1 -0.777 18.6-115.9-100.4 139.8 40.4 6.5 20.9 66 69 A P - 0 0 27 0, 0.0 -46,-0.4 0, 0.0 2,-0.3 0.002 57.8 -69.6 -53.2 176.3 42.6 3.6 20.1 67 70 A I - 0 0 101 -48,-0.1 2,-0.4 10,-0.0 -48,-0.2 -0.570 55.1-152.2 -83.9 142.1 41.4 0.3 21.7 68 71 A A B -B 18 0A 1 -50,-3.3 -50,-3.0 -2,-0.3 6,-0.1 -0.932 20.7-150.8-127.0 128.5 41.8 0.0 25.4 69 72 A K S S+ 0 0 136 -2,-0.4 -53,-0.5 -52,-0.2 2,-0.3 0.813 87.4 27.8 -58.2 -41.3 42.3 -2.9 27.8 70 73 A D S > S- 0 0 66 1,-0.1 4,-1.1 -52,-0.1 -52,-0.2 -0.771 81.9-116.2-115.2 165.4 40.6 -1.3 30.8 71 74 A S H > S+ 0 0 12 -2,-0.3 4,-2.3 1,-0.2 3,-0.4 0.885 122.2 57.2 -59.0 -38.7 37.9 1.3 31.0 72 75 A Q H > S+ 0 0 130 1,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.808 102.1 50.6 -62.2 -39.8 40.7 3.2 32.6 73 76 A E H > S+ 0 0 42 2,-0.2 4,-1.3 1,-0.2 -1,-0.3 0.743 110.9 50.3 -71.9 -25.2 43.0 2.9 29.7 74 77 A A H X S+ 0 0 1 -4,-1.1 4,-2.1 -3,-0.4 -2,-0.2 0.906 108.0 51.7 -78.8 -42.6 40.3 4.2 27.4 75 78 A I H X S+ 0 0 7 -4,-2.3 4,-2.5 2,-0.2 3,-0.2 0.959 109.1 49.1 -56.5 -56.9 39.5 7.2 29.6 76 79 A R H X S+ 0 0 41 -4,-2.0 4,-2.7 1,-0.2 5,-0.3 0.943 109.8 54.3 -48.2 -47.7 43.1 8.3 29.7 77 80 A F H X S+ 0 0 15 -4,-1.3 4,-2.2 1,-0.2 -1,-0.2 0.907 108.6 48.0 -51.3 -45.0 43.1 7.8 25.9 78 81 A L H X S+ 0 0 0 -4,-2.1 4,-2.7 -3,-0.2 -1,-0.2 0.882 111.0 52.3 -64.6 -36.7 40.1 10.1 25.6 79 82 A K H X S+ 0 0 77 -4,-2.5 4,-2.4 2,-0.2 337,-0.2 0.926 110.6 44.9 -66.6 -50.8 41.8 12.7 27.9 80 83 A A H X S+ 0 0 2 -4,-2.7 4,-2.9 2,-0.2 5,-0.2 0.929 115.2 48.1 -58.8 -47.9 45.0 12.9 25.9 81 84 A I H X S+ 0 0 2 -4,-2.2 4,-2.7 -5,-0.3 -2,-0.2 0.932 111.9 49.6 -60.6 -45.4 43.2 13.1 22.6 82 85 A S H X S+ 0 0 21 -4,-2.7 4,-3.3 1,-0.2 -1,-0.2 0.884 111.6 50.8 -60.6 -39.1 40.9 15.8 24.0 83 86 A D H X S+ 0 0 6 -4,-2.4 4,-2.5 2,-0.2 5,-0.2 0.955 108.4 48.8 -65.8 -49.3 43.9 17.6 25.2 84 87 A V H X S+ 0 0 0 -4,-2.9 4,-1.5 1,-0.2 5,-0.2 0.952 114.4 48.3 -52.3 -47.7 45.7 17.5 21.9 85 88 A A H >X S+ 0 0 3 -4,-2.7 4,-2.0 1,-0.2 3,-0.6 0.934 107.2 56.5 -60.1 -46.5 42.5 18.7 20.3 86 89 A G H 3< S+ 0 0 2 -4,-3.3 3,-0.3 1,-0.2 -1,-0.2 0.954 115.3 36.1 -47.0 -56.1 42.2 21.4 22.9 87 90 A R H 3< S+ 0 0 21 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.594 114.1 56.1 -82.7 -7.6 45.6 22.9 22.1 88 91 A S H << S+ 0 0 6 -4,-1.5 -46,-0.3 -3,-0.6 -1,-0.2 0.749 89.4 89.6 -91.5 -29.4 45.5 22.2 18.3 89 92 A I S < S- 0 0 3 -4,-2.0 2,-0.1 -3,-0.3 -50,-0.0 -0.182 97.6 -83.8 -57.2 152.7 42.3 24.2 17.8 90 93 A N > - 0 0 74 1,-0.1 3,-0.7 4,-0.0 -1,-0.1 -0.390 37.1-122.5 -60.6 142.9 42.5 27.9 17.1 91 94 A H T 3 S+ 0 0 128 1,-0.3 -1,-0.1 -3,-0.1 -2,-0.1 0.812 110.6 56.8 -62.1 -29.7 42.8 29.9 20.2 92 95 A D T 3 S+ 0 0 84 -64,-0.1 -63,-1.5 -63,-0.0 -1,-0.3 0.834 101.8 65.6 -66.2 -40.0 39.6 31.9 19.4 93 96 A E E < -G 28 0B 7 -3,-0.7 2,-0.3 -65,-0.2 -65,-0.2 -0.244 64.1-174.0 -80.0 169.6 37.5 28.8 19.1 94 97 A Y E -G 27 0B 6 -67,-1.9 -67,-3.4 -69,-0.1 2,-0.5 -0.976 31.6 -86.1-158.4 164.8 36.6 26.3 22.0 95 98 A L E -G 26 0B 24 306,-0.4 -69,-0.2 -2,-0.3 309,-0.1 -0.696 33.2-128.8 -94.0 129.8 34.8 23.0 22.4 96 99 A W - 0 0 2 -71,-2.7 -71,-0.4 -2,-0.5 302,-0.1 -0.527 18.9-164.8 -73.7 114.3 31.1 22.9 22.9 97 100 A P + 0 0 3 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.810 60.9 78.9 -72.1 -36.5 30.4 20.7 26.0 98 101 A L S S- 0 0 10 2,-0.1 -73,-0.3 1,-0.1 40,-0.1 -0.476 74.4-134.8 -81.8 147.3 26.7 20.1 25.5 99 102 A S S S+ 0 0 0 183,-0.5 39,-2.6 92,-0.5 -1,-0.1 0.921 91.2 74.6 -60.4 -44.9 25.1 17.5 23.2 100 103 A M S S- 0 0 14 91,-0.3 -2,-0.1 37,-0.2 95,-0.1 -0.415 95.5-106.4 -70.2 147.5 22.6 20.1 22.0 101 104 A P - 0 0 6 0, 0.0 95,-0.5 0, 0.0 3,-0.1 -0.172 17.2-125.4 -71.4 167.4 24.0 22.8 19.7 102 105 A P S S- 0 0 5 0, 0.0 2,-0.3 0, 0.0 292,-0.1 0.850 88.2 -10.5 -79.5 -43.0 24.6 26.4 20.8 103 106 A K S S- 0 0 54 93,-0.1 2,-0.6 2,-0.0 -69,-0.1 -0.951 77.0-111.3-151.3 160.0 22.5 28.1 18.1 104 107 A V + 0 0 41 -2,-0.3 2,-0.4 -3,-0.1 3,-0.1 -0.874 37.0 162.8-110.9 119.5 20.9 26.7 15.0 105 108 A R > - 0 0 63 -2,-0.6 4,-2.0 1,-0.1 -2,-0.0 -0.924 22.7-169.2-132.5 109.4 22.1 27.7 11.5 106 109 A E T 4 S+ 0 0 76 -2,-0.4 -1,-0.1 1,-0.2 26,-0.0 0.904 99.1 48.0 -57.7 -38.5 21.2 25.6 8.4 107 110 A E T 4 S+ 0 0 83 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.0 0.879 106.5 55.5 -68.6 -40.6 23.9 27.7 6.6 108 111 A D T 4 S+ 0 0 3 1,-0.1 2,-1.2 2,-0.0 -1,-0.2 0.876 91.6 78.4 -62.3 -39.1 26.5 27.3 9.3 109 112 A I < + 0 0 28 -4,-2.0 2,-0.5 -52,-0.1 -1,-0.1 -0.623 64.9 171.3 -77.1 100.2 26.3 23.5 9.1 110 113 A Q - 0 0 76 -2,-1.2 -52,-1.8 22,-0.0 3,-0.1 -0.955 42.7 -99.5-114.8 129.5 28.3 22.8 6.0 111 114 A I B -I 57 0C 61 -2,-0.5 -54,-0.2 -54,-0.2 3,-0.1 -0.169 51.1 -97.8 -50.2 131.1 29.2 19.3 5.0 112 115 A A - 0 0 23 -56,-2.4 2,-0.8 1,-0.1 -1,-0.1 -0.193 38.4-110.1 -51.3 140.8 32.8 18.6 6.1 113 116 A Q + 0 0 106 -3,-0.1 2,-0.4 2,-0.0 -1,-0.1 -0.660 47.0 172.0 -81.6 108.6 35.3 18.9 3.3 114 117 A L - 0 0 57 -2,-0.8 6,-0.1 2,-0.2 -3,-0.0 -0.938 36.1-139.3-123.0 139.5 36.6 15.5 2.5 115 118 A E S S+ 0 0 144 -2,-0.4 2,-0.3 4,-0.1 -1,-0.1 0.866 81.2 88.9 -65.9 -37.0 38.9 14.5 -0.4 116 119 A D > - 0 0 88 1,-0.1 4,-1.2 2,-0.1 -2,-0.2 -0.472 67.5-152.5 -65.4 126.9 36.9 11.3 -1.1 117 120 A A H > S+ 0 0 79 -2,-0.3 4,-1.9 1,-0.2 5,-0.1 0.861 92.2 56.5 -68.1 -39.3 34.1 11.9 -3.6 118 121 A F H > S+ 0 0 66 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.842 102.0 57.0 -63.4 -35.9 31.9 9.1 -2.4 119 122 A E H > S+ 0 0 37 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.942 105.5 52.9 -58.3 -45.0 32.0 10.5 1.1 120 123 A Y H X S+ 0 0 56 -4,-1.2 4,-3.1 1,-0.2 -2,-0.2 0.921 108.6 47.0 -59.8 -48.4 30.6 13.7 -0.4 121 124 A D H X S+ 0 0 65 -4,-1.9 4,-4.0 2,-0.2 -1,-0.2 0.887 114.2 48.0 -64.0 -38.0 27.6 12.1 -2.1 122 125 A Y H X S+ 0 0 54 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.911 114.7 45.2 -68.5 -42.7 26.7 10.0 1.1 123 126 A R H X S+ 0 0 41 -4,-2.9 4,-2.3 2,-0.2 -2,-0.2 0.902 117.1 46.6 -64.0 -41.2 27.0 13.1 3.2 124 127 A K H X S+ 0 0 57 -4,-3.1 4,-2.2 -5,-0.3 -2,-0.2 0.975 111.8 49.6 -61.8 -54.4 25.0 15.0 0.6 125 128 A Y H X S+ 0 0 37 -4,-4.0 4,-1.8 1,-0.3 -2,-0.2 0.893 113.0 48.6 -51.0 -43.8 22.5 12.1 0.4 126 129 A L H X>S+ 0 0 32 -4,-2.7 4,-2.0 1,-0.2 5,-0.6 0.866 107.5 54.8 -65.6 -39.0 22.3 12.2 4.2 127 130 A E H X5S+ 0 0 41 -4,-2.3 4,-1.6 1,-0.2 -1,-0.2 0.884 109.3 47.4 -63.5 -40.2 21.8 16.0 4.2 128 131 A K H <5S+ 0 0 94 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.901 112.8 47.8 -70.1 -41.1 18.8 15.8 1.8 129 132 A T H <5S+ 0 0 46 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.862 134.7 8.6 -70.4 -39.8 17.0 13.0 3.7 130 133 A Y H <5S- 0 0 61 -4,-2.0 4,-0.4 -5,-0.1 -3,-0.2 0.532 105.4-119.9-120.7 -14.8 17.3 14.4 7.2 131 134 A G X< - 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