==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 20-AUG-01 1JT9 . COMPND 2 MOLECULE: GLUCOSAMINE-6-PHOSPHATE DEAMINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR I.BUSTOS-JAIMES,A.SOSA-PEINADO,E.RUDINO-PINERA,E.HORJALES, . 247 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11232.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 160 64.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 27 10.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 9 3.6 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 . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.8 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 . 11 4.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 13.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 65 26.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.6 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 1 0 0 2 0 0 1 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 1 1 2 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 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 1 0 0 0 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 91 0, 0.0 2,-0.4 0, 0.0 217,-0.2 0.000 360.0 360.0 360.0 146.6 75.6 28.6 16.3 2 2 A R E -a 218 0A 73 215,-2.1 217,-2.4 2,-0.0 2,-0.5 -0.877 360.0-163.4-113.0 147.3 79.0 27.2 17.3 3 3 A L E -a 219 0A 0 -2,-0.4 217,-0.2 215,-0.2 238,-0.1 -0.978 4.7-161.4-130.7 116.7 80.9 28.2 20.4 4 4 A I E -a 220 0A 0 215,-3.0 217,-2.3 -2,-0.5 2,-0.8 -0.869 9.9-157.5-100.4 102.9 84.5 27.3 20.4 5 5 A P E +a 221 0A 8 0, 0.0 2,-0.2 0, 0.0 217,-0.2 -0.723 23.7 162.3 -86.9 111.6 85.7 27.3 24.1 6 6 A L - 0 0 9 215,-2.5 3,-0.1 -2,-0.8 232,-0.0 -0.695 38.4-129.0-119.8 173.4 89.4 27.8 24.3 7 7 A T S S+ 0 0 73 215,-0.2 216,-2.0 -2,-0.2 2,-0.2 0.931 77.5 31.5 -90.0 -52.3 91.7 28.9 27.1 8 8 A T S > S- 0 0 64 214,-0.2 4,-2.1 215,-0.1 5,-0.1 -0.696 71.7-117.4-113.4 163.1 94.0 31.7 25.8 9 9 A A H > S+ 0 0 35 -2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.863 116.9 56.9 -60.1 -36.6 93.9 34.5 23.4 10 10 A E H > S+ 0 0 93 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.894 106.1 48.2 -64.4 -40.1 96.7 32.8 21.5 11 11 A Q H > S+ 0 0 44 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.893 109.3 53.8 -66.2 -40.8 94.6 29.6 21.0 12 12 A V H X S+ 0 0 0 -4,-2.1 4,-3.1 1,-0.2 5,-0.3 0.953 109.8 47.9 -58.9 -47.9 91.6 31.7 19.8 13 13 A G H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.903 112.4 48.2 -60.1 -41.9 93.9 33.3 17.2 14 14 A K H X S+ 0 0 98 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.884 114.3 46.4 -66.7 -38.1 95.2 30.0 16.1 15 15 A W H X S+ 0 0 8 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.939 115.1 45.7 -68.9 -46.9 91.8 28.5 15.8 16 16 A A H X S+ 0 0 0 -4,-3.1 4,-2.1 -5,-0.2 -2,-0.2 0.912 112.9 50.8 -61.6 -44.3 90.3 31.5 14.0 17 17 A A H X S+ 0 0 0 -4,-2.6 4,-2.7 -5,-0.3 -1,-0.2 0.937 110.4 48.7 -60.4 -47.9 93.3 31.6 11.6 18 18 A R H X S+ 0 0 68 -4,-2.1 4,-2.8 1,-0.2 -1,-0.2 0.875 109.2 53.5 -60.5 -38.4 93.0 27.9 10.8 19 19 A H H X S+ 0 0 18 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.912 110.5 46.6 -63.7 -42.1 89.3 28.3 10.1 20 20 A I H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.932 112.8 50.2 -63.9 -45.7 89.9 31.1 7.7 21 21 A V H X S+ 0 0 2 -4,-2.7 4,-3.1 1,-0.2 5,-0.2 0.925 111.2 48.4 -59.2 -46.2 92.6 29.1 6.0 22 22 A N H X S+ 0 0 87 -4,-2.8 4,-1.8 1,-0.2 5,-0.2 0.899 110.7 50.3 -63.3 -41.7 90.4 26.1 5.6 23 23 A R H X S+ 0 0 89 -4,-2.2 4,-1.7 -5,-0.2 -1,-0.2 0.908 114.2 45.7 -63.0 -41.0 87.5 28.1 4.2 24 24 A I H X S+ 0 0 2 -4,-2.4 4,-2.5 1,-0.2 3,-0.3 0.980 113.1 47.5 -65.5 -55.3 89.9 29.7 1.7 25 25 A N H < S+ 0 0 71 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.765 114.2 48.0 -59.6 -25.8 91.6 26.5 0.6 26 26 A A H < S+ 0 0 83 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.822 111.8 49.5 -82.9 -31.0 88.2 24.7 0.2 27 27 A F H < S- 0 0 40 -4,-1.7 -2,-0.2 -3,-0.3 -3,-0.2 0.841 92.4-154.4 -73.5 -34.9 86.8 27.6 -1.8 28 28 A K < - 0 0 144 -4,-2.5 -3,-0.1 -5,-0.1 -4,-0.1 0.988 16.5-148.0 54.6 70.9 89.9 27.7 -4.1 29 29 A P - 0 0 26 0, 0.0 2,-0.3 0, 0.0 36,-0.1 -0.338 19.2-176.5 -70.2 149.3 89.6 31.3 -5.1 30 30 A T - 0 0 69 3,-2.1 3,-0.3 35,-0.2 5,-0.0 -0.811 45.5 -89.6-135.5 173.7 90.8 32.6 -8.6 31 31 A A S S+ 0 0 83 -2,-0.3 -1,-0.0 1,-0.2 0, 0.0 0.871 129.1 41.7 -55.9 -38.2 91.0 36.0 -10.2 32 32 A D S S+ 0 0 157 1,-0.3 -1,-0.2 -3,-0.0 33,-0.0 0.704 126.3 33.3 -84.8 -20.8 87.4 35.7 -11.5 33 33 A R S S- 0 0 117 -3,-0.3 -3,-2.1 -5,-0.1 -1,-0.3 -0.725 80.5-177.9-136.5 84.0 86.0 34.2 -8.3 34 34 A P - 0 0 21 0, 0.0 2,-0.6 0, 0.0 32,-0.2 -0.460 32.1-114.1 -82.3 156.9 87.8 35.6 -5.2 35 35 A F E -b 66 0A 7 30,-1.9 32,-2.4 -2,-0.1 2,-0.6 -0.820 32.8-142.5 -88.8 123.7 87.2 34.6 -1.6 36 36 A V E -b 67 0A 1 -2,-0.6 96,-1.8 94,-0.3 97,-1.6 -0.828 18.2-170.2 -97.7 116.9 85.8 37.7 0.1 37 37 A L E -bc 68 133A 0 30,-3.3 32,-2.1 -2,-0.6 2,-0.4 -0.912 12.1-151.2-112.2 123.9 86.9 38.2 3.7 38 38 A G E -bc 69 134A 0 95,-3.2 97,-2.6 -2,-0.5 32,-0.2 -0.750 24.8-165.1 -91.5 137.2 85.5 40.8 6.2 39 39 A L E -b 70 0A 0 30,-2.9 32,-2.0 -2,-0.4 2,-0.2 -0.940 16.6-158.3-135.4 149.7 88.0 42.0 8.8 40 40 A P - 0 0 4 0, 0.0 2,-0.2 0, 0.0 96,-0.1 -0.590 11.6-146.8-111.1 173.6 88.2 43.9 12.2 41 41 A T + 0 0 25 -2,-0.2 3,-0.2 29,-0.0 2,-0.1 -0.695 45.4 68.5-130.1-177.8 91.0 45.8 13.9 42 42 A G S S- 0 0 31 -2,-0.2 4,-0.3 1,-0.2 0, 0.0 -0.429 95.4 -47.8 101.9-176.1 92.1 46.4 17.5 43 43 A G S > S+ 0 0 63 1,-0.2 3,-1.3 2,-0.1 4,-0.4 0.877 122.1 68.2 -65.6 -36.4 93.6 44.3 20.3 44 44 A T T 3 S+ 0 0 37 1,-0.3 3,-0.5 -3,-0.2 4,-0.3 0.910 102.9 39.5 -53.4 -53.4 91.1 41.5 19.8 45 45 A P T >> S+ 0 0 2 0, 0.0 4,-2.3 0, 0.0 3,-0.5 0.475 86.6 104.0 -80.6 5.5 92.2 40.1 16.4 46 46 A M H <> S+ 0 0 76 -3,-1.3 4,-2.2 -4,-0.3 5,-0.2 0.914 81.7 43.8 -50.2 -54.9 95.9 40.5 17.1 47 47 A T H 3> S+ 0 0 33 -3,-0.5 4,-1.9 -4,-0.4 -1,-0.3 0.789 111.7 56.2 -65.6 -24.0 96.7 36.9 17.8 48 48 A T H <> S+ 0 0 0 -3,-0.5 4,-2.6 -4,-0.3 -1,-0.2 0.924 108.2 44.9 -72.6 -44.1 94.6 35.9 14.8 49 49 A Y H X S+ 0 0 2 -4,-2.3 4,-2.6 2,-0.2 5,-0.2 0.929 112.1 54.0 -63.6 -42.3 96.5 38.0 12.3 50 50 A K H X S+ 0 0 139 -4,-2.2 4,-2.0 -5,-0.3 -1,-0.2 0.926 112.3 43.9 -56.8 -44.8 99.8 36.8 13.8 51 51 A A H X S+ 0 0 13 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.870 111.2 53.4 -68.3 -39.2 98.6 33.2 13.2 52 52 A L H X S+ 0 0 0 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.898 108.6 51.1 -62.3 -40.7 97.4 33.9 9.7 53 53 A V H X S+ 0 0 18 -4,-2.6 4,-2.8 2,-0.2 -2,-0.2 0.927 109.7 47.5 -65.4 -47.2 100.8 35.4 8.8 54 54 A E H X S+ 0 0 112 -4,-2.0 4,-1.4 1,-0.2 -1,-0.2 0.925 111.0 52.7 -65.3 -36.1 102.8 32.4 10.1 55 55 A M H <>S+ 0 0 29 -4,-2.3 5,-2.7 2,-0.2 6,-0.5 0.896 110.7 47.5 -61.4 -38.4 100.5 30.1 8.2 56 56 A H H ><5S+ 0 0 36 -4,-1.9 3,-1.8 1,-0.2 5,-0.2 0.931 110.9 51.1 -66.2 -45.4 101.1 32.1 5.0 57 57 A K H 3<5S+ 0 0 124 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.728 106.3 55.4 -64.4 -21.7 104.8 32.0 5.6 58 58 A A T 3<5S- 0 0 54 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.422 120.7-110.9 -89.7 0.6 104.7 28.3 6.1 59 59 A G T < 5S+ 0 0 65 -3,-1.8 -3,-0.2 2,-0.2 -2,-0.1 0.660 82.9 124.2 80.8 17.9 103.0 28.0 2.7 60 60 A Q S + 0 0 0 -2,-0.4 3,-1.7 1,-0.2 34,-0.1 0.154 60.1 114.2-106.0 15.8 95.8 35.7 -0.3 64 64 A K T 3 S+ 0 0 117 1,-0.3 -1,-0.2 35,-0.2 -34,-0.1 0.836 89.8 28.2 -55.4 -36.9 96.6 36.4 -4.0 65 65 A H T 3 S+ 0 0 65 -3,-0.3 -30,-1.9 -36,-0.1 2,-0.5 -0.088 97.0 110.4-120.2 36.2 92.9 35.9 -4.8 66 66 A V E < -b 35 0A 0 -3,-1.7 2,-0.4 -32,-0.2 -30,-0.2 -0.931 50.8-158.0-110.6 130.5 91.4 37.0 -1.5 67 67 A V E -b 36 0A 0 -32,-2.4 -30,-3.3 -2,-0.5 2,-0.3 -0.926 11.9-157.2-109.1 132.9 89.5 40.3 -1.4 68 68 A T E -bd 37 104A 0 35,-2.5 37,-1.1 -2,-0.4 2,-0.4 -0.831 14.0-168.2-115.9 151.0 89.1 42.0 2.0 69 69 A F E -bd 38 105A 1 -32,-2.1 -30,-2.9 -2,-0.3 2,-0.2 -0.991 17.6-146.9-132.4 123.1 86.6 44.5 3.4 70 70 A N E -b 39 0A 1 35,-1.9 37,-0.1 -2,-0.4 3,-0.0 -0.644 13.9-128.7 -92.6 153.9 87.4 46.2 6.7 71 71 A M S S- 0 0 15 -32,-2.0 99,-2.4 -2,-0.2 2,-0.3 0.830 73.6 -13.1 -68.5 -38.3 84.8 47.3 9.3 72 72 A D E -G 169 0B 6 97,-0.2 2,-0.3 73,-0.1 97,-0.2 -0.926 43.5-162.3-155.7-180.0 85.7 50.9 9.9 73 73 A E E -G 168 0B 5 95,-1.6 95,-2.9 -2,-0.3 2,-0.2 -0.942 35.2-100.5-165.1 151.0 88.1 53.9 9.6 74 74 A Y E -G 167 0B 60 -2,-0.3 3,-0.4 93,-0.2 2,-0.3 -0.521 37.9-119.1 -78.0 147.2 88.4 57.3 11.3 75 75 A V S S+ 0 0 32 91,-2.4 91,-0.3 1,-0.2 90,-0.3 -0.680 89.2 3.4 -89.3 140.3 87.1 60.4 9.6 76 76 A G S S+ 0 0 53 33,-3.4 -1,-0.2 -2,-0.3 34,-0.1 0.458 94.5 129.9 69.1 2.0 89.4 63.2 8.7 77 77 A L - 0 0 23 -3,-0.4 -1,-0.2 32,-0.1 32,-0.1 -0.752 70.0-104.8 -91.2 128.5 92.5 61.3 10.0 78 78 A P > - 0 0 73 0, 0.0 3,-2.9 0, 0.0 6,-0.2 -0.313 26.4-131.2 -54.4 123.9 95.4 61.1 7.5 79 79 A K T 3 S+ 0 0 57 1,-0.3 8,-0.5 7,-0.1 5,-0.2 0.834 106.4 49.7 -43.9 -43.3 95.5 57.6 6.0 80 80 A E T 3 S+ 0 0 142 6,-0.1 -1,-0.3 3,-0.1 -3,-0.0 0.472 81.6 122.5 -82.0 0.8 99.2 57.1 6.8 81 81 A H S X S- 0 0 72 -3,-2.9 3,-1.7 1,-0.1 6,-0.4 -0.369 73.3-122.5 -60.2 140.4 98.8 58.3 10.4 82 82 A P T 3 S+ 0 0 71 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.680 108.3 52.4 -60.4 -18.5 100.0 55.5 12.7 83 83 A E T 3 S+ 0 0 130 4,-0.1 -2,-0.1 5,-0.0 -3,-0.1 0.407 84.0 108.9-100.5 2.6 96.7 55.3 14.5 84 84 A S S <> S- 0 0 1 -3,-1.7 4,-1.8 -6,-0.2 5,-0.1 -0.314 78.2-120.3 -74.5 162.6 94.5 54.8 11.4 85 85 A Y H > S+ 0 0 25 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.849 115.2 59.3 -70.3 -33.7 92.8 51.5 10.6 86 86 A Y H > S+ 0 0 68 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.950 107.0 45.0 -57.6 -51.6 94.7 51.5 7.3 87 87 A S H > S+ 0 0 16 -8,-0.5 4,-2.4 -6,-0.4 5,-0.2 0.885 112.8 51.5 -62.3 -41.1 98.0 51.6 9.2 88 88 A F H X S+ 0 0 28 -4,-1.8 4,-2.4 1,-0.2 5,-0.3 0.944 110.5 48.2 -61.2 -48.6 96.9 49.0 11.6 89 89 A M H X>S+ 0 0 0 -4,-2.8 5,-2.1 2,-0.2 4,-1.5 0.883 115.6 42.5 -62.9 -40.9 95.9 46.6 8.8 90 90 A H H <>S+ 0 0 36 -4,-2.2 5,-2.9 3,-0.2 6,-0.3 0.956 115.7 49.0 -69.3 -47.8 99.0 46.9 6.8 91 91 A R H <5S+ 0 0 110 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.857 122.2 32.8 -59.2 -38.6 101.3 46.8 9.8 92 92 A N H <5S- 0 0 35 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.635 140.5 -5.8 -97.1 -13.2 99.7 43.7 11.2 93 93 A F T ><5S+ 0 0 0 -4,-1.5 3,-1.6 -5,-0.3 4,-0.5 0.523 120.0 53.9-143.9 -64.5 98.6 41.8 8.1 94 94 A F G > - 0 0 41 0, 0.0 3,-2.2 0, 0.0 4,-0.3 -0.554 16.8-118.3 -81.6 148.2 97.3 42.8 -4.1 101 101 A A G > S+ 0 0 86 1,-0.3 3,-1.5 -2,-0.2 -2,-0.0 0.819 112.6 60.4 -52.3 -37.9 96.4 46.4 -3.4 102 102 A E G 3 S+ 0 0 155 1,-0.3 -1,-0.3 3,-0.0 -35,-0.0 0.692 100.2 56.8 -68.3 -14.7 93.4 46.2 -5.7 103 103 A N G < S+ 0 0 18 -3,-2.2 -35,-2.5 -37,-0.1 2,-0.5 0.475 89.0 92.5 -91.7 -3.8 91.9 43.4 -3.5 104 104 A I E < -d 68 0A 30 -3,-1.5 2,-0.5 -4,-0.3 -35,-0.1 -0.809 54.0-172.4 -97.6 127.5 92.1 45.6 -0.3 105 105 A N E +d 69 0A 13 -37,-1.1 -35,-1.9 -2,-0.5 2,-0.4 -0.971 12.8 161.0-123.5 119.5 89.0 47.6 0.6 106 106 A L - 0 0 26 -2,-0.5 2,-0.1 -37,-0.2 -33,-0.1 -0.984 45.1-104.1-133.6 141.3 89.1 50.1 3.4 107 107 A L - 0 0 0 -2,-0.4 2,-1.1 -35,-0.2 -21,-0.1 -0.461 32.5-127.1 -67.3 137.5 86.7 53.0 4.0 108 108 A N > - 0 0 50 1,-0.2 3,-2.0 -2,-0.1 -1,-0.1 -0.743 21.9-171.8 -90.6 97.4 88.2 56.4 3.0 109 109 A G T 3 S+ 0 0 3 -2,-1.1 -33,-3.4 1,-0.3 -1,-0.2 0.487 84.5 55.3 -67.0 -1.5 87.8 58.6 6.1 110 110 A N T 3 S+ 0 0 74 -35,-0.2 -1,-0.3 -34,-0.1 -35,-0.1 0.222 74.5 134.3-114.8 12.1 89.0 61.5 4.0 111 111 A A < - 0 0 12 -3,-2.0 3,-0.2 1,-0.1 -35,-0.1 -0.360 57.1-135.0 -63.2 140.3 86.5 61.2 1.2 112 112 A P S S+ 0 0 138 0, 0.0 2,-0.8 0, 0.0 -1,-0.1 0.881 99.2 45.1 -64.4 -40.1 84.9 64.6 0.2 113 113 A D S > S- 0 0 87 1,-0.2 4,-2.5 2,-0.1 3,-0.3 -0.835 70.7-173.7-109.7 92.6 81.4 63.1 0.1 114 114 A I H > S+ 0 0 34 -2,-0.8 4,-2.3 1,-0.2 5,-0.2 0.923 85.2 48.7 -48.9 -55.2 81.0 61.0 3.2 115 115 A D H > S+ 0 0 108 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.838 112.0 50.0 -57.6 -35.4 77.6 59.6 2.3 116 116 A A H > S+ 0 0 16 -3,-0.3 4,-2.7 2,-0.2 -1,-0.2 0.905 108.1 53.3 -69.9 -42.0 78.8 58.8 -1.2 117 117 A E H X S+ 0 0 30 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.948 111.8 44.4 -56.9 -51.8 81.9 57.0 0.2 118 118 A C H X S+ 0 0 5 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.889 112.4 53.0 -61.5 -41.5 79.7 54.7 2.4 119 119 A R H X S+ 0 0 129 -4,-1.9 4,-1.9 -5,-0.2 -1,-0.2 0.918 109.4 48.3 -60.3 -45.7 77.3 54.1 -0.5 120 120 A Q H X S+ 0 0 106 -4,-2.7 4,-3.1 2,-0.2 -1,-0.2 0.843 105.1 59.4 -65.4 -33.4 80.1 53.0 -2.8 121 121 A Y H X S+ 0 0 9 -4,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.950 108.4 44.1 -60.6 -47.8 81.5 50.7 -0.1 122 122 A E H X S+ 0 0 7 -4,-1.8 4,-2.0 1,-0.2 -1,-0.2 0.880 112.9 53.5 -62.7 -38.8 78.2 48.8 -0.0 123 123 A E H X S+ 0 0 99 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.924 105.1 53.7 -62.3 -45.0 78.2 48.9 -3.8 124 124 A K H X S+ 0 0 74 -4,-3.1 4,-1.2 1,-0.2 -1,-0.2 0.898 107.7 50.7 -56.6 -43.9 81.7 47.3 -3.9 125 125 A I H >X S+ 0 0 15 -4,-1.8 4,-1.5 1,-0.2 3,-0.6 0.935 111.6 46.8 -61.7 -45.9 80.6 44.4 -1.8 126 126 A R H 3< S+ 0 0 138 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.841 102.4 64.4 -65.5 -32.3 77.6 43.7 -4.0 127 127 A S H 3< S+ 0 0 87 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.864 109.8 39.8 -59.4 -33.5 79.7 43.9 -7.1 128 128 A Y H << S- 0 0 79 -4,-1.2 2,-0.5 -3,-0.6 -1,-0.3 0.749 114.2-127.9 -84.1 -25.4 81.5 40.9 -5.7 129 129 A G < - 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