==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 02-OCT-08 3ERJ . COMPND 2 MOLECULE: PEPTIDYL-TRNA HYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ARCHAEOGLOBUS FULGIDUS; . AUTHOR F.FOROUHAR,M.SU,J.SEETHARAMAN,K.CONOVER,H.JANJUA,R.XIAO, . 227 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11061.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 160 70.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 6.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 28 12.3 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 15 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 77 33.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.8 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 0 1 1 1 1 0 0 1 1 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 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 PARALLEL BRIDGES PER LADDER . 1 0 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 0 0 ANTIPARALLEL 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 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 2 A T 0 0 89 0, 0.0 99,-2.8 0, 0.0 100,-0.3 0.000 360.0 360.0 360.0 129.9 13.0 23.7 46.2 2 3 A L E +A 99 0A 1 97,-0.2 2,-0.3 39,-0.1 46,-0.2 -0.645 360.0 173.7 -97.5 155.6 14.4 20.1 46.6 3 4 A K E -A 98 0A 14 95,-2.4 95,-1.8 -2,-0.2 2,-0.5 -0.988 25.0-142.9-160.3 149.2 15.1 17.6 43.9 4 5 A Q E - b 0 49A 0 44,-2.0 46,-1.7 -2,-0.3 2,-0.5 -0.962 19.6-155.9-115.2 131.3 16.6 14.1 43.4 5 6 A V E -Ab 95 50A 0 90,-2.8 90,-2.7 -2,-0.5 2,-0.5 -0.933 6.4-168.6-112.4 131.0 18.6 13.5 40.2 6 7 A I E -Ab 94 51A 0 44,-2.4 46,-3.4 -2,-0.5 2,-0.5 -0.975 3.0-169.4-119.2 127.1 19.1 10.1 38.7 7 8 A V E -Ab 93 52A 0 86,-2.9 86,-2.6 -2,-0.5 2,-0.3 -0.975 6.0-173.3-120.6 126.7 21.6 9.5 35.9 8 9 A V E -Ab 92 53A 1 44,-2.3 46,-2.2 -2,-0.5 2,-0.2 -0.869 23.3-119.4-120.5 152.1 21.8 6.3 33.9 9 10 A R E - b 0 54A 22 82,-2.2 46,-0.2 -2,-0.3 3,-0.1 -0.625 16.9-171.6 -85.8 147.1 24.2 5.0 31.3 10 11 A D S S+ 0 0 45 44,-1.5 45,-0.2 -2,-0.2 4,-0.1 0.422 71.0 84.1-115.7 -4.5 22.8 4.1 27.9 11 12 A D S S+ 0 0 69 43,-0.3 2,-0.4 2,-0.1 -1,-0.1 0.355 73.3 90.9 -81.3 5.3 26.0 2.5 26.5 12 13 A L S S- 0 0 28 79,-0.1 2,-3.1 2,-0.1 73,-0.0 -0.803 92.1-112.8-101.5 145.1 25.0 -0.8 28.1 13 14 A K + 0 0 208 -2,-0.4 2,-0.5 71,-0.1 -2,-0.1 -0.229 67.9 144.4 -71.3 53.6 22.9 -3.3 26.1 14 15 A L - 0 0 24 -2,-3.1 -2,-0.1 -4,-0.1 5,-0.0 -0.835 46.7-130.1-101.9 131.0 20.0 -2.7 28.5 15 16 A S > - 0 0 63 -2,-0.5 4,-2.3 1,-0.1 3,-0.3 -0.215 32.4-102.2 -68.8 164.6 16.3 -2.8 27.3 16 17 A R H > S+ 0 0 148 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.888 124.9 53.1 -54.7 -41.4 14.0 0.1 28.3 17 18 A G H > S+ 0 0 33 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.873 109.4 47.3 -63.3 -38.4 12.5 -2.2 30.9 18 19 A K H > S+ 0 0 105 -3,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.835 111.0 51.1 -72.9 -33.3 15.9 -2.9 32.4 19 20 A L H X S+ 0 0 17 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.910 106.5 54.9 -68.7 -40.7 16.9 0.7 32.4 20 21 A A H X S+ 0 0 3 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.849 105.9 53.1 -59.7 -35.3 13.6 1.6 34.2 21 22 A V H X S+ 0 0 16 -4,-1.2 4,-2.0 2,-0.2 -1,-0.2 0.930 107.3 50.5 -66.1 -43.8 14.5 -0.9 36.9 22 23 A Q H X S+ 0 0 1 -4,-1.7 4,-2.2 1,-0.2 -2,-0.2 0.858 108.3 53.5 -62.6 -35.3 17.9 0.8 37.4 23 24 A V H X S+ 0 0 0 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.947 108.4 49.6 -63.1 -47.0 16.1 4.1 37.7 24 25 A A H X S+ 0 0 0 -4,-2.1 4,-1.6 1,-0.2 -2,-0.2 0.846 109.5 51.5 -60.6 -36.5 13.9 2.6 40.4 25 26 A H H X S+ 0 0 5 -4,-2.0 4,-2.5 1,-0.2 -1,-0.2 0.927 109.5 50.7 -65.4 -45.8 16.9 1.2 42.3 26 27 A A H X S+ 0 0 0 -4,-2.2 4,-2.7 1,-0.2 5,-0.2 0.896 105.7 55.4 -59.3 -44.0 18.6 4.6 42.2 27 28 A A H X S+ 0 0 0 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.928 111.7 43.2 -55.1 -50.1 15.5 6.4 43.6 28 29 A I H X S+ 0 0 0 -4,-1.6 4,-2.7 2,-0.2 -1,-0.2 0.920 112.7 52.0 -64.5 -46.0 15.4 4.2 46.7 29 30 A I H X S+ 0 0 34 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.925 109.8 49.6 -57.9 -45.2 19.2 4.3 47.3 30 31 A G H X S+ 0 0 2 -4,-2.7 4,-0.7 1,-0.2 -1,-0.2 0.894 111.5 48.6 -61.9 -40.8 19.2 8.1 47.2 31 32 A Y H >< S+ 0 0 18 -4,-1.9 3,-0.9 -5,-0.2 -1,-0.2 0.943 110.9 50.4 -64.7 -46.5 16.3 8.3 49.6 32 33 A L H 3< S+ 0 0 60 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.795 111.8 46.9 -63.2 -30.5 17.9 5.8 52.0 33 34 A K H 3< S+ 0 0 118 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.548 97.0 95.2 -90.2 -7.0 21.2 7.6 52.1 34 35 A S S << S- 0 0 9 -3,-0.9 64,-0.1 -4,-0.7 -3,-0.0 -0.439 86.8 -87.1 -86.3 159.6 19.7 11.1 52.6 35 36 A D > - 0 0 87 62,-0.2 4,-2.8 -2,-0.1 5,-0.3 -0.261 33.6-124.2 -60.0 146.0 19.1 13.0 55.8 36 37 A S H > S+ 0 0 83 2,-0.2 4,-1.4 1,-0.2 5,-0.1 0.898 111.5 44.8 -60.7 -44.1 15.9 12.3 57.6 37 38 A S H > S+ 0 0 81 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.946 114.3 49.4 -66.2 -48.4 14.8 15.9 57.6 38 39 A L H > S+ 0 0 36 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.927 112.9 44.9 -58.0 -49.0 15.8 16.5 54.0 39 40 A R H X S+ 0 0 62 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.793 111.2 54.2 -70.3 -24.7 14.0 13.4 52.6 40 41 A R H X S+ 0 0 126 -4,-1.4 4,-2.2 -5,-0.3 -1,-0.2 0.912 110.4 45.5 -72.4 -43.7 10.9 14.2 54.6 41 42 A K H X S+ 0 0 93 -4,-2.3 4,-1.5 2,-0.2 -2,-0.2 0.882 111.7 55.0 -65.4 -36.7 10.7 17.7 53.2 42 43 A W H <>S+ 0 0 0 -4,-2.2 5,-3.0 -5,-0.2 3,-0.4 0.939 107.9 47.2 -61.0 -49.9 11.4 16.2 49.8 43 44 A L H ><5S+ 0 0 25 -4,-2.2 3,-1.7 1,-0.2 -1,-0.2 0.918 110.8 52.1 -58.9 -44.8 8.4 13.8 50.1 44 45 A D H 3<5S+ 0 0 118 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.780 105.8 54.6 -65.2 -25.4 6.2 16.6 51.3 45 46 A E T 3<5S- 0 0 83 -4,-1.5 -1,-0.3 -3,-0.4 -2,-0.2 0.367 133.6 -89.4 -87.5 4.8 7.1 18.8 48.2 46 47 A G T < 5 - 0 0 34 -3,-1.7 -3,-0.2 -4,-0.2 152,-0.2 0.612 54.6 -93.3 98.5 14.9 6.1 15.9 46.0 47 48 A Q < - 0 0 25 -5,-3.0 -4,-0.2 -6,-0.2 -1,-0.1 0.893 53.9-150.2 40.8 56.9 9.5 14.1 45.8 48 49 A K + 0 0 89 -6,-0.4 -44,-2.0 -46,-0.2 2,-0.3 -0.253 22.1 175.9 -57.2 135.5 10.5 15.9 42.7 49 50 A K E -b 4 0A 8 -46,-0.2 2,-0.4 -3,-0.1 -44,-0.2 -0.964 22.4-163.7-141.7 156.3 12.9 14.0 40.4 50 51 A V E -b 5 0A 26 -46,-1.7 -44,-2.4 -2,-0.3 2,-0.5 -0.988 13.1-151.9-139.8 132.4 14.6 14.3 37.0 51 52 A V E +b 6 0A 1 -2,-0.4 62,-2.2 83,-0.3 2,-0.2 -0.947 22.3 172.3-111.3 122.4 16.1 11.3 35.2 52 53 A L E -bC 7 112A 7 -46,-3.4 -44,-2.3 -2,-0.5 2,-0.3 -0.677 17.1-136.4-121.1 173.8 19.0 12.0 32.9 53 54 A K E -b 8 0A 43 58,-2.1 2,-0.3 -46,-0.2 -44,-0.2 -0.959 9.1-165.3-138.8 156.7 21.5 9.9 30.9 54 55 A V E -b 9 0A 1 -46,-2.2 -44,-1.5 -2,-0.3 -43,-0.3 -0.862 22.1-135.0-128.9 164.4 25.2 9.7 30.0 55 56 A K S S+ 0 0 130 -2,-0.3 2,-0.3 -46,-0.2 -46,-0.1 0.376 80.1 31.0-105.1 4.1 26.9 7.7 27.3 56 57 A S S > S- 0 0 45 1,-0.1 4,-2.1 -46,-0.0 5,-0.1 -0.994 72.3-117.5-157.2 159.8 29.9 6.3 29.3 57 58 A L H > S+ 0 0 62 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.880 114.5 55.6 -66.1 -37.7 31.0 5.1 32.7 58 59 A E H > S+ 0 0 166 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.911 109.1 45.8 -62.7 -41.8 33.6 7.8 32.8 59 60 A E H > S+ 0 0 79 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.912 112.0 52.9 -67.1 -40.6 31.0 10.5 32.3 60 61 A L H X S+ 0 0 0 -4,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.939 113.3 42.4 -58.9 -48.4 28.7 8.9 34.8 61 62 A L H X S+ 0 0 67 -4,-2.8 4,-2.8 1,-0.2 -1,-0.2 0.808 107.5 61.2 -70.3 -29.5 31.5 8.9 37.5 62 63 A G H X S+ 0 0 41 -4,-2.0 4,-2.0 -5,-0.2 -1,-0.2 0.886 106.2 47.2 -63.1 -37.7 32.5 12.4 36.5 63 64 A I H X S+ 0 0 15 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.920 111.4 50.6 -68.5 -44.1 29.1 13.6 37.5 64 65 A K H X S+ 0 0 38 -4,-1.8 4,-2.3 1,-0.2 -2,-0.2 0.919 111.0 48.8 -60.1 -44.3 29.2 11.6 40.8 65 66 A H H X S+ 0 0 124 -4,-2.8 4,-2.4 2,-0.2 -1,-0.2 0.917 110.8 49.9 -61.6 -46.7 32.6 13.1 41.7 66 67 A K H X S+ 0 0 91 -4,-2.0 4,-1.6 2,-0.2 -1,-0.2 0.928 111.0 49.2 -59.3 -46.9 31.5 16.6 41.0 67 68 A A H X>S+ 0 0 0 -4,-2.5 5,-2.4 1,-0.2 4,-0.7 0.911 111.9 48.7 -60.8 -42.8 28.4 16.2 43.1 68 69 A E H ><5S+ 0 0 78 -4,-2.3 3,-0.7 1,-0.2 -1,-0.2 0.868 106.3 57.2 -65.9 -35.0 30.5 14.8 46.0 69 70 A S H 3<5S+ 0 0 83 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.853 105.7 51.0 -64.2 -32.4 32.9 17.6 45.7 70 71 A L H 3<5S- 0 0 65 -4,-1.6 -1,-0.3 -3,-0.2 -2,-0.2 0.657 124.4-104.9 -78.2 -15.0 30.0 20.0 46.2 71 72 A G T <<5S+ 0 0 54 -3,-0.7 -3,-0.2 -4,-0.7 -2,-0.1 0.511 70.9 145.1 103.6 8.3 29.0 18.1 49.3 72 73 A L < - 0 0 8 -5,-2.4 2,-0.4 -6,-0.2 -1,-0.3 -0.443 54.3-109.7 -80.3 152.8 25.9 16.4 47.9 73 74 A V - 0 0 50 24,-0.1 23,-2.3 -2,-0.1 2,-0.3 -0.670 42.6-175.0 -81.8 133.1 24.9 12.9 48.9 74 75 A T E -D 95 0A 14 -2,-0.4 2,-0.3 21,-0.2 21,-0.2 -0.850 12.8-167.2-127.0 164.5 25.4 10.4 46.1 75 76 A G E -D 94 0A 0 19,-1.7 19,-2.2 -2,-0.3 2,-0.3 -0.984 12.0-141.0-149.8 151.5 24.7 6.7 45.5 76 77 A L E -D 93 0A 53 -2,-0.3 2,-0.6 17,-0.2 17,-0.2 -0.883 12.7-138.5-114.3 147.3 25.8 4.1 43.0 77 78 A V E +D 92 0A 2 15,-2.4 14,-2.4 -2,-0.3 15,-0.8 -0.935 26.4 166.5-111.0 118.3 23.7 1.4 41.4 78 79 A Q - 0 0 116 -2,-0.6 2,-0.8 12,-0.2 12,-0.2 -0.961 16.7-163.9-129.6 107.9 25.2 -2.1 41.0 79 80 A D > - 0 0 30 -2,-0.5 3,-1.7 10,-0.4 10,-0.1 -0.840 14.1-171.2-102.0 105.0 22.6 -4.7 40.2 80 81 A A T 3 S+ 0 0 105 -2,-0.8 -1,-0.1 1,-0.3 83,-0.0 0.598 82.8 74.7 -67.5 -9.4 23.7 -8.2 40.7 81 82 A G T 3 S+ 0 0 55 82,-0.2 2,-0.7 2,-0.0 -1,-0.3 0.701 72.4 92.9 -75.9 -20.7 20.5 -9.3 39.0 82 83 A L < - 0 0 25 -3,-1.7 3,-0.3 1,-0.1 7,-0.1 -0.663 54.1-176.6 -76.5 115.7 21.8 -8.3 35.6 83 84 A T S S+ 0 0 122 -2,-0.7 -1,-0.1 1,-0.2 -3,-0.0 0.391 72.4 61.8 -97.0 4.2 23.4 -11.4 34.2 84 85 A E S S+ 0 0 173 2,-0.1 -1,-0.2 -71,-0.0 -71,-0.1 0.465 96.9 63.7-106.0 -4.1 24.8 -10.0 30.9 85 86 A V S S- 0 0 28 -3,-0.3 3,-0.1 1,-0.1 4,-0.1 -0.889 93.4 -98.4-118.7 150.0 27.2 -7.5 32.6 86 87 A P > - 0 0 92 0, 0.0 3,-1.6 0, 0.0 -2,-0.1 -0.208 53.1 -83.3 -63.2 157.5 30.2 -8.4 34.7 87 88 A P T 3 S+ 0 0 133 0, 0.0 3,-0.1 0, 0.0 -7,-0.1 -0.291 116.0 28.5 -60.9 145.6 29.8 -8.2 38.5 88 89 A G T 3 S+ 0 0 45 1,-0.3 -8,-0.1 -3,-0.1 2,-0.0 0.407 81.4 158.3 84.6 -3.7 30.2 -4.8 40.0 89 90 A T < - 0 0 21 -3,-1.6 2,-0.6 -7,-0.1 -10,-0.4 -0.319 36.8-137.7 -56.8 132.6 29.0 -3.1 36.9 90 91 A I + 0 0 26 -12,-0.2 -12,-0.2 1,-0.1 3,-0.1 -0.854 28.0 171.4 -98.2 117.4 27.8 0.4 37.6 91 92 A T - 0 0 0 -14,-2.4 -82,-2.2 -2,-0.6 2,-0.3 0.701 59.9 -5.8 -98.0 -23.8 24.5 1.3 35.8 92 93 A A E -AD 8 77A 0 -15,-0.8 -15,-2.4 -84,-0.2 2,-0.3 -0.992 52.2-137.4-165.3 165.6 23.5 4.6 37.4 93 94 A V E -AD 7 76A 0 -86,-2.6 -86,-2.9 -2,-0.3 2,-0.4 -0.963 13.9-153.0-132.5 147.6 24.2 7.2 40.0 94 95 A V E -AD 6 75A 0 -19,-2.2 -19,-1.7 -2,-0.3 2,-0.4 -0.947 4.9-165.8-122.3 145.0 21.7 9.1 42.2 95 96 A I E -AD 5 74A 0 -90,-2.7 -90,-2.8 -2,-0.4 -21,-0.2 -0.999 37.9 -66.1-130.8 128.0 22.2 12.6 43.7 96 97 A G E - 0 0 1 -23,-2.3 -92,-0.2 -2,-0.4 2,-0.2 -0.337 20.4-120.6 82.8-161.2 20.0 13.9 46.5 97 98 A P E S+ 0 0 0 0, 0.0 -1,-0.3 0, 0.0 2,-0.3 0.286 79.9 118.1 -55.5 146.3 17.4 14.7 47.2 98 99 A D E -A 3 0A 26 -95,-1.8 -95,-2.4 -3,-0.2 2,-0.1 -0.922 69.9 -31.6-166.8-176.3 18.9 18.1 48.0 99 100 A E E > -A 2 0A 73 -2,-0.3 4,-2.1 -97,-0.2 3,-0.4 -0.312 51.6-143.2 -54.4 124.2 18.7 21.8 47.0 100 101 A E H > S+ 0 0 34 -99,-2.8 4,-2.6 1,-0.2 5,-0.2 0.867 97.1 56.1 -58.7 -42.2 17.8 21.9 43.3 101 102 A R H > S+ 0 0 164 -100,-0.3 4,-0.6 1,-0.2 -1,-0.2 0.846 109.7 47.3 -62.3 -33.2 20.1 24.9 42.6 102 103 A K H >4 S+ 0 0 72 -3,-0.4 3,-0.7 2,-0.2 4,-0.3 0.927 114.0 45.0 -74.7 -44.7 23.1 23.1 44.0 103 104 A I H >X S+ 0 0 0 -4,-2.1 4,-1.9 1,-0.2 3,-1.8 0.851 105.2 62.8 -68.0 -33.5 22.4 19.8 42.1 104 105 A D H 3X S+ 0 0 63 -4,-2.6 4,-2.2 1,-0.3 -1,-0.2 0.772 89.5 68.7 -62.3 -26.3 21.7 21.7 38.9 105 106 A K H << S+ 0 0 129 -3,-0.7 -1,-0.3 -4,-0.6 -2,-0.2 0.707 110.5 35.6 -65.6 -17.5 25.3 23.0 38.9 106 107 A V H <4 S+ 0 0 20 -3,-1.8 -2,-0.2 -4,-0.3 3,-0.2 0.844 135.4 15.7-101.7 -45.5 26.3 19.5 38.2 107 108 A T H >< S+ 0 0 4 -4,-1.9 3,-1.6 1,-0.1 -3,-0.2 0.252 84.1 114.8-117.4 12.3 23.6 18.0 35.9 108 109 A G T 3< S+ 0 0 55 -4,-2.2 -1,-0.1 1,-0.3 -3,-0.1 0.553 83.7 41.9 -62.1 -8.4 21.8 21.0 34.6 109 110 A N T 3 S+ 0 0 161 -3,-0.2 -1,-0.3 -5,-0.1 -2,-0.1 0.304 85.5 114.6-121.2 7.1 22.9 20.4 31.0 110 111 A L < - 0 0 35 -3,-1.6 -56,-0.1 1,-0.1 -3,-0.0 -0.525 69.7-107.2 -80.8 146.2 22.5 16.6 30.7 111 112 A P - 0 0 71 0, 0.0 -58,-2.1 0, 0.0 2,-0.1 -0.348 37.6-103.0 -70.9 152.4 19.9 15.2 28.3 112 113 A L B -C 52 0A 62 -60,-0.2 2,-0.7 1,-0.1 -60,-0.3 -0.455 29.0-114.9 -75.8 145.0 16.7 13.5 29.6 113 114 A L - 0 0 7 -62,-2.2 2,-0.8 21,-0.2 24,-0.4 -0.737 33.0-157.2 -80.0 117.6 16.5 9.7 29.7 114 115 A K + 0 0 64 -2,-0.7 19,-0.1 1,-0.2 -1,-0.0 -0.811 31.4 156.4-105.0 96.5 13.6 9.0 27.3 115 116 A L 0 0 12 -2,-0.8 -1,-0.2 1,-0.1 -95,-0.1 0.519 360.0 360.0 -93.3 -7.8 12.0 5.7 28.0 116 117 A E 0 0 92 -3,-0.1 -1,-0.1 16,-0.1 -2,-0.1 0.817 360.0 360.0 -87.6 360.0 8.7 6.7 26.3 117 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 118 2 B T 0 0 105 0, 0.0 99,-2.7 0, 0.0 100,-0.4 0.000 360.0 360.0 360.0 140.0 12.6 -14.3 47.1 119 3 B L E +E 216 0B 17 97,-0.2 46,-0.3 98,-0.1 2,-0.3 -0.783 360.0 175.6-106.3 150.2 11.0 -10.9 47.4 120 4 B K E -E 215 0B 19 95,-2.4 95,-1.8 -2,-0.3 2,-0.4 -0.996 22.2-143.2-153.5 152.8 10.2 -8.6 44.4 121 5 B Q E - 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