==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-NOV-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 24-OCT-12 4HPN . COMPND 2 MOLECULE: PUTATIVE UNCHARACTERIZED PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: AGROBACTERIUM TUMEFACIENS; . AUTHOR M.W.VETTING,J.T.BOUVIER,L.L.MORISCO,S.R.WASSERMAN,S.SOJITRA, . 378 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15066.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 251 66.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 30 7.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 35 9.3 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 . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 0.3 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 4.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 124 32.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 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 1 1 1 0 0 0 2 2 1 1 1 2 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 5 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 PARALLEL BRIDGES PER LADDER . 4 0 1 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 1 0 1 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 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 42 0, 0.0 2,-0.3 0, 0.0 71,-0.2 0.000 360.0 360.0 360.0 130.8 49.7 10.7 -8.1 2 2 A K - 0 0 112 68,-0.2 37,-2.7 69,-0.1 2,-0.3 -0.994 360.0-114.5-140.3 141.8 46.5 12.7 -8.7 3 3 A I E +A 38 0A 2 66,-2.5 65,-2.9 63,-0.4 35,-0.3 -0.593 31.5 175.5 -72.0 132.9 43.9 14.3 -6.5 4 4 A T E + 0 0 70 33,-3.0 2,-0.3 1,-0.3 34,-0.2 0.629 59.9 16.9-112.3 -23.2 40.6 12.6 -6.8 5 5 A A E -A 37 0A 21 32,-1.8 32,-2.5 61,-0.1 2,-0.4 -0.999 49.4-164.1-152.6 147.5 38.3 14.4 -4.3 6 6 A V E +A 36 0A 17 -2,-0.3 2,-0.3 30,-0.2 30,-0.2 -0.988 22.7 171.0-133.2 123.0 38.1 17.5 -2.3 7 7 A R E -A 35 0A 91 28,-2.9 28,-3.1 -2,-0.4 2,-0.3 -0.896 20.0-147.4-128.5 157.5 35.7 17.7 0.6 8 8 A T E -A 34 0A 48 -2,-0.3 2,-0.5 26,-0.2 26,-0.2 -0.920 4.5-154.8-123.2 157.5 35.0 20.1 3.5 9 9 A H E -A 33 0A 43 24,-2.4 24,-2.4 -2,-0.3 2,-0.4 -0.950 8.3-153.9-133.5 111.9 33.8 19.3 6.9 10 10 A L E -A 32 0A 28 -2,-0.5 365,-2.0 22,-0.2 2,-0.4 -0.690 12.7-166.4 -89.8 136.1 31.9 22.0 8.9 11 11 A L E +AB 31 374A 0 20,-2.8 20,-2.1 -2,-0.4 2,-0.3 -0.964 8.6 175.7-124.8 140.1 32.0 21.7 12.7 12 12 A E E +A 30 0A 27 361,-2.7 2,-0.3 -2,-0.4 18,-0.2 -0.997 14.4 177.5-145.9 143.0 29.9 23.6 15.3 13 13 A H E -A 29 0A 53 16,-2.1 16,-2.8 -2,-0.3 2,-0.2 -0.935 26.4-135.0-140.4 121.9 29.4 23.7 19.0 14 14 A R E -A 28 0A 149 -2,-0.3 14,-0.3 14,-0.2 2,-0.1 -0.541 22.8-134.3 -74.7 138.0 26.9 26.1 20.7 15 15 A L E - 0 0 22 12,-2.5 -1,-0.1 -2,-0.2 320,-0.0 -0.400 16.7-117.8 -86.8 162.3 28.2 27.9 23.8 16 16 A D E S- 0 0 151 1,-0.2 -1,-0.1 -2,-0.1 -2,-0.0 0.828 99.5 -0.3 -67.6 -28.5 26.4 28.4 27.1 17 17 A T E S- 0 0 42 9,-0.1 -1,-0.2 122,-0.0 9,-0.0 -0.966 95.0 -84.7-154.6 153.9 26.4 32.2 26.6 18 18 A P E - 0 0 29 0, 0.0 122,-0.5 0, 0.0 2,-0.4 -0.298 35.9-138.8 -69.1 152.7 27.8 34.3 23.8 19 19 A F E -A 26 0A 15 7,-2.9 7,-2.6 120,-0.1 2,-0.4 -0.897 19.6-162.0-107.8 137.3 31.5 35.3 23.8 20 20 A E E +AC 25 138A 45 118,-2.3 118,-2.6 -2,-0.4 5,-0.2 -0.967 16.0 176.3-126.3 134.1 32.5 38.9 22.9 21 21 A S - 0 0 5 3,-2.8 3,-0.3 -2,-0.4 147,-0.1 -0.598 52.9 -98.6-107.6-177.7 35.7 40.5 21.8 22 22 A A S S+ 0 0 33 145,-0.5 174,-0.1 -2,-0.2 146,-0.1 0.819 125.6 45.5 -69.7 -22.7 35.9 44.1 20.7 23 23 A S S S+ 0 0 50 1,-0.2 2,-0.3 -3,-0.0 -1,-0.2 0.628 122.2 3.3 -98.7 -2.9 35.8 42.9 17.1 24 24 A M - 0 0 103 -3,-0.3 -3,-2.8 2,-0.0 2,-0.4 -0.996 48.6-142.8-173.5 151.3 33.0 40.3 17.2 25 25 A R E +A 20 0A 118 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -1.000 29.3 173.1-129.3 131.3 30.3 38.6 19.3 26 26 A F E -A 19 0A 24 -7,-2.6 -7,-2.9 -2,-0.4 -9,-0.1 -0.990 28.7-163.7-140.7 151.3 29.6 34.9 18.7 27 27 A D E S+ 0 0 71 -2,-0.3 -12,-2.5 -9,-0.2 2,-0.3 0.278 74.5 38.0-118.8 11.4 27.5 32.2 20.3 28 28 A R E S-A 14 0A 74 -14,-0.3 2,-0.6 -9,-0.1 -14,-0.2 -0.985 75.4-115.4-154.3 153.9 29.1 29.1 18.8 29 29 A R E +A 13 0A 4 -16,-2.8 -16,-2.1 -2,-0.3 2,-0.4 -0.886 42.4 178.0 -85.1 125.0 32.4 27.6 17.9 30 30 A A E +A 12 0A 34 -2,-0.6 2,-0.3 -18,-0.2 -18,-0.2 -0.986 6.4 156.7-138.7 123.1 32.3 27.1 14.1 31 31 A H E -A 11 0A 12 -20,-2.1 -20,-2.8 -2,-0.4 2,-0.4 -0.893 26.2-141.6-140.3 166.7 35.2 25.8 12.0 32 32 A V E -AD 10 48A 0 16,-0.5 16,-1.7 -2,-0.3 2,-0.3 -0.997 8.5-161.8-136.6 132.7 35.9 24.1 8.7 33 33 A L E -AD 9 47A 0 -24,-2.4 -24,-2.4 -2,-0.4 2,-0.4 -0.830 12.7-139.9-105.4 155.3 38.3 21.4 7.7 34 34 A V E -AD 8 46A 0 12,-2.3 12,-2.5 -2,-0.3 2,-0.4 -0.925 13.6-167.1-113.2 133.6 39.5 20.5 4.2 35 35 A E E -AD 7 45A 2 -28,-3.1 -28,-2.9 -2,-0.4 2,-0.5 -0.991 2.9-172.6-120.5 122.7 40.0 16.9 3.2 36 36 A I E -AD 6 44A 0 8,-2.7 8,-2.6 -2,-0.4 2,-0.3 -0.971 5.8-164.1-120.2 125.7 41.8 16.0 -0.1 37 37 A E E -AD 5 43A 64 -32,-2.5 -33,-3.0 -2,-0.5 -32,-1.8 -0.837 5.0-150.8-111.6 148.1 41.9 12.4 -1.3 38 38 A C E > -A 3 0A 2 4,-1.9 3,-2.2 -2,-0.3 -35,-0.2 -0.735 29.3-108.3-117.9 164.9 44.3 10.9 -3.9 39 39 A D T 3 S+ 0 0 87 -37,-2.7 -36,-0.1 1,-0.3 -1,-0.1 0.766 119.0 53.0 -66.2 -23.3 44.2 8.1 -6.4 40 40 A D T 3 S- 0 0 88 -38,-0.2 -1,-0.3 2,-0.1 -37,-0.1 0.374 124.6-100.7 -91.3 6.1 46.6 6.1 -4.4 41 41 A G S < S+ 0 0 45 -3,-2.2 -2,-0.1 1,-0.3 2,-0.1 0.224 74.4 143.2 99.5 -13.5 44.5 6.4 -1.2 42 42 A T - 0 0 27 -5,-0.1 -4,-1.9 1,-0.0 2,-0.4 -0.373 30.9-163.8 -68.5 137.2 46.5 9.2 0.4 43 43 A V E -D 37 0A 21 -6,-0.2 2,-0.3 64,-0.1 -6,-0.2 -0.968 4.3-165.1-122.5 138.6 44.4 11.7 2.3 44 44 A G E -D 36 0A 0 -8,-2.6 -8,-2.7 -2,-0.4 2,-0.4 -0.937 6.3-150.4-121.2 153.4 45.5 15.1 3.5 45 45 A W E +D 35 0A 9 -2,-0.3 2,-0.3 58,-0.2 -10,-0.2 -0.917 19.1 161.5-124.8 143.6 43.8 17.5 6.0 46 46 A G E -D 34 0A 0 -12,-2.5 -12,-2.3 -2,-0.4 2,-0.3 -0.869 22.5-138.1-145.9-179.0 43.8 21.2 6.4 47 47 A E E -D 33 0A 2 -14,-0.3 2,-0.4 -2,-0.3 -14,-0.2 -0.986 10.0-142.1-143.9 148.7 41.8 24.0 8.1 48 48 A C E -D 32 0A 1 -16,-1.7 -16,-0.5 -2,-0.3 2,-0.3 -0.953 17.9-130.7-117.4 136.4 40.6 27.5 6.9 49 49 A L + 0 0 22 222,-2.7 50,-0.1 -2,-0.4 51,-0.1 -0.578 66.7 13.6 -80.6 139.1 40.5 30.6 9.2 50 50 A G S S+ 0 0 38 -2,-0.3 -2,-0.1 -20,-0.1 -18,-0.1 -0.577 105.8 22.4 103.9-167.2 37.4 32.7 9.4 51 51 A P > - 0 0 79 0, 0.0 4,-2.3 0, 0.0 5,-0.2 -0.160 64.9-152.0 -47.4 119.3 33.8 32.3 8.3 52 52 A A H > S+ 0 0 9 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.933 85.3 41.2 -71.0 -51.4 33.2 28.6 8.0 53 53 A R H > S+ 0 0 91 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.923 115.4 51.0 -66.4 -38.6 30.5 28.2 5.4 54 54 A P H > S+ 0 0 57 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.933 110.1 50.8 -63.8 -40.4 31.9 30.9 3.1 55 55 A N H X S+ 0 0 0 -4,-2.3 4,-2.8 1,-0.2 5,-0.2 0.926 108.1 52.8 -58.0 -43.1 35.3 29.1 3.3 56 56 A A H X S+ 0 0 12 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.896 109.1 50.0 -60.1 -41.3 33.6 25.9 2.4 57 57 A A H X S+ 0 0 64 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.869 110.5 48.2 -64.2 -37.9 32.1 27.5 -0.6 58 58 A V H X S+ 0 0 25 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.890 109.4 53.2 -71.6 -39.0 35.4 29.0 -1.8 59 59 A V H X S+ 0 0 1 -4,-2.8 4,-1.2 1,-0.2 -2,-0.2 0.949 108.4 50.9 -57.1 -44.1 37.1 25.6 -1.4 60 60 A Q H >X S+ 0 0 125 -4,-2.1 3,-0.6 1,-0.2 4,-0.5 0.909 108.4 52.5 -58.9 -39.7 34.4 24.1 -3.5 61 61 A A H 3< S+ 0 0 49 -4,-1.8 3,-0.4 1,-0.3 -1,-0.2 0.858 110.8 46.6 -68.9 -31.0 35.0 26.8 -6.1 62 62 A Y H >< S+ 0 0 1 -4,-2.0 3,-1.7 1,-0.2 4,-0.3 0.698 91.2 85.9 -74.6 -20.7 38.7 26.0 -6.2 63 63 A S H XX S+ 0 0 16 -4,-1.2 4,-2.1 -3,-0.6 3,-1.8 0.801 77.6 64.4 -59.1 -32.7 38.0 22.2 -6.5 64 64 A G T 3< S+ 0 0 62 -4,-0.5 -1,-0.3 -3,-0.4 -2,-0.1 0.787 103.5 47.3 -60.9 -30.0 37.7 22.3 -10.2 65 65 A W T <4 S+ 0 0 118 -3,-1.7 -1,-0.3 -4,-0.2 -2,-0.2 0.445 113.5 51.0 -85.9 -4.2 41.4 23.3 -10.6 66 66 A L T X4 S+ 0 0 0 -3,-1.8 3,-2.3 -4,-0.3 -63,-0.4 0.785 80.8 94.8 -99.6 -40.6 42.5 20.6 -8.1 67 67 A I T 3< S+ 0 0 80 -4,-2.1 -63,-0.2 1,-0.3 3,-0.1 -0.376 97.8 15.0 -60.9 130.4 40.9 17.4 -9.3 68 68 A G T 3 S+ 0 0 32 -65,-2.9 -1,-0.3 1,-0.3 2,-0.2 0.282 99.8 123.6 90.4 -9.0 43.3 15.5 -11.5 69 69 A Q S < S- 0 0 70 -3,-2.3 -66,-2.5 -66,-0.1 -1,-0.3 -0.510 71.4-108.0 -86.0 153.8 46.4 17.5 -10.4 70 70 A D > - 0 0 30 -68,-0.2 3,-1.7 -2,-0.2 7,-0.2 -0.708 25.6-155.6 -79.9 112.9 49.6 16.1 -8.8 71 71 A P T 3 S+ 0 0 0 0, 0.0 38,-0.2 0, 0.0 -1,-0.1 0.633 86.4 70.7 -71.3 -13.1 49.3 17.1 -5.1 72 72 A R T 3 S+ 0 0 72 1,-0.2 2,-1.8 -71,-0.2 3,-0.2 0.750 81.6 77.4 -70.9 -19.0 53.1 17.0 -4.7 73 73 A Q <> + 0 0 79 -3,-1.7 4,-2.7 1,-0.2 5,-0.2 -0.422 57.2 159.1 -94.9 66.2 53.5 20.1 -6.9 74 74 A T H > + 0 0 7 -2,-1.8 4,-2.3 1,-0.2 -1,-0.2 0.818 68.0 50.6 -66.5 -30.9 52.4 22.6 -4.2 75 75 A E H > S+ 0 0 90 -3,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.903 113.1 46.9 -73.1 -38.0 54.0 25.7 -5.7 76 76 A K H > S+ 0 0 101 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.959 115.1 45.3 -65.3 -50.4 52.3 25.1 -9.1 77 77 A I H X S+ 0 0 2 -4,-2.7 4,-3.0 2,-0.2 5,-0.4 0.942 112.4 52.4 -59.5 -44.9 48.9 24.3 -7.6 78 78 A W H X S+ 0 0 7 -4,-2.3 4,-3.1 -5,-0.2 5,-0.2 0.945 113.2 42.9 -56.7 -46.4 49.2 27.4 -5.3 79 79 A A H X S+ 0 0 56 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.857 114.8 49.8 -71.0 -37.6 50.0 29.8 -8.1 80 80 A V H X S+ 0 0 68 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.940 116.3 41.1 -66.0 -49.3 47.4 28.3 -10.4 81 81 A L H X S+ 0 0 1 -4,-3.0 4,-1.8 -5,-0.2 -2,-0.2 0.913 112.7 55.2 -66.9 -41.7 44.6 28.4 -7.8 82 82 A Y H < S+ 0 0 22 -4,-3.1 4,-0.4 -5,-0.4 3,-0.3 0.967 113.1 42.4 -54.8 -48.7 45.7 31.9 -6.6 83 83 A N H >< S+ 0 0 88 -4,-2.3 3,-1.0 1,-0.2 4,-0.4 0.881 105.6 64.5 -66.6 -35.2 45.4 33.2 -10.1 84 84 A A H 3< S+ 0 0 31 -4,-2.2 -1,-0.2 1,-0.3 3,-0.2 0.893 118.6 22.6 -56.5 -42.7 42.1 31.4 -10.8 85 85 A L T 3< S+ 0 0 43 -4,-1.8 3,-0.3 -3,-0.3 -1,-0.3 0.194 93.6 108.0-111.5 21.0 40.2 33.3 -8.2 86 86 A R X + 0 0 88 -3,-1.0 3,-2.2 -4,-0.4 -1,-0.1 0.814 61.9 71.5 -66.3 -32.8 42.4 36.5 -7.9 87 87 A D T 3 S+ 0 0 121 -4,-0.4 -1,-0.2 1,-0.3 -2,-0.1 0.901 118.9 17.3 -60.0 -46.9 40.1 38.9 -9.7 88 88 A Q T 3 S+ 0 0 184 -3,-0.3 -1,-0.3 2,-0.0 -2,-0.1 -0.343 131.3 59.0-111.9 46.8 37.6 39.1 -6.9 89 89 A G < + 0 0 19 -3,-2.2 2,-2.2 4,-0.1 -3,-0.2 0.160 41.1 121.3-132.3-118.8 40.1 37.6 -4.4 90 90 A Q S S+ 0 0 100 -8,-0.2 2,-0.3 4,-0.1 163,-0.2 -0.162 86.8 25.4 73.8 -44.6 43.6 38.8 -3.3 91 91 A R S > S+ 0 0 113 -2,-2.2 3,-0.9 -5,-0.1 2,-0.1 -0.918 107.2 13.3-139.6 167.8 42.8 39.1 0.4 92 92 A G T >> S+ 0 0 24 -2,-0.3 4,-2.1 1,-0.2 3,-1.6 -0.411 119.2 9.1 75.2-137.4 40.3 37.6 2.8 93 93 A L H 3> S+ 0 0 65 1,-0.3 4,-2.3 2,-0.2 5,-0.3 0.756 122.4 60.9 -61.6 -29.4 38.3 34.5 2.0 94 94 A S H <> S+ 0 0 16 -3,-0.9 4,-0.9 1,-0.2 -1,-0.3 0.835 114.2 37.6 -68.6 -28.1 40.1 33.7 -1.3 95 95 A L H <> S+ 0 0 1 -3,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.804 113.4 53.7 -89.1 -34.9 43.3 33.3 0.7 96 96 A T H X S+ 0 0 8 -4,-2.1 4,-1.5 2,-0.2 -47,-0.2 0.914 112.2 46.2 -66.3 -36.6 41.9 31.6 3.9 97 97 A A H X S+ 0 0 0 -4,-2.3 4,-1.7 1,-0.2 -1,-0.2 0.917 112.1 50.2 -70.4 -41.0 40.3 28.9 1.7 98 98 A L H X S+ 0 0 2 -4,-0.9 4,-2.9 -5,-0.3 -1,-0.2 0.864 105.0 60.0 -64.3 -34.3 43.5 28.5 -0.3 99 99 A S H X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 177,-0.3 0.926 104.2 48.6 -58.7 -43.5 45.4 28.1 3.0 100 100 A G H X S+ 0 0 0 -4,-1.5 4,-2.0 171,-0.3 -1,-0.2 0.894 112.8 47.6 -64.1 -43.1 43.3 25.1 4.0 101 101 A I H X S+ 0 0 0 -4,-1.7 4,-2.1 2,-0.2 -1,-0.2 0.928 111.3 51.8 -57.7 -49.0 43.8 23.5 0.6 102 102 A D H X S+ 0 0 2 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.898 108.0 50.9 -59.1 -43.2 47.6 24.2 0.8 103 103 A I H X S+ 0 0 1 -4,-2.4 4,-2.2 1,-0.2 -58,-0.2 0.923 109.7 50.2 -60.8 -43.0 47.9 22.6 4.3 104 104 A A H X S+ 0 0 0 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.871 110.6 50.9 -63.5 -36.3 46.1 19.4 3.1 105 105 A L H X S+ 0 0 2 -4,-2.1 4,-2.9 2,-0.2 -1,-0.2 0.889 108.7 49.3 -72.3 -38.1 48.4 19.2 0.1 106 106 A W H X S+ 0 0 9 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.862 108.8 54.6 -66.6 -31.2 51.5 19.6 2.3 107 107 A D H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.953 111.2 44.9 -62.8 -46.8 50.1 16.8 4.5 108 108 A I H X S+ 0 0 0 -4,-2.3 4,-3.1 2,-0.2 -2,-0.2 0.925 111.5 52.9 -57.7 -46.4 49.8 14.6 1.4 109 109 A K H X S+ 0 0 21 -4,-2.9 4,-2.6 -38,-0.2 5,-0.2 0.930 110.1 47.4 -62.4 -40.0 53.3 15.6 0.2 110 110 A G H X>S+ 0 0 0 -4,-2.5 5,-2.6 1,-0.2 4,-1.2 0.924 112.4 49.5 -66.6 -43.8 54.8 14.6 3.6 111 111 A K H <5S+ 0 0 70 -4,-2.4 3,-0.3 248,-0.2 -1,-0.2 0.934 111.6 50.0 -59.8 -42.6 52.9 11.3 3.6 112 112 A H H <5S+ 0 0 73 -4,-3.1 -2,-0.2 1,-0.2 -1,-0.2 0.941 118.3 36.3 -62.8 -46.5 54.1 10.6 0.1 113 113 A Y H <5S- 0 0 130 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.533 109.4-119.5 -85.0 -2.3 57.8 11.3 0.8 114 114 A G T <5S+ 0 0 55 -4,-1.2 2,-0.4 -3,-0.3 -3,-0.2 0.891 72.9 124.9 67.7 41.3 57.6 9.8 4.3 115 115 A A < - 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