==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CHAPERONE 04-MAY-10 2XDK . COMPND 2 MOLECULE: HEAT SHOCK PROTEIN HSP 90-ALPHA; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.W.MURRAY,M.G.CARR,O.CALLAGHAN,G.CHESSARI,M.CONGREVE,S.COWA . 215 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11324.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 148 68.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 1.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 40 18.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.5 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 . 1 0.5 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 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 14.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 53 24.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 0 1 0 1 0 1 1 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 0 0 0 2 1 2 0 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 0 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 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 11 A P 0 0 179 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 139.7 36.3 8.4 27.4 2 12 A M - 0 0 192 1,-0.1 2,-0.2 0, 0.0 0, 0.0 -0.468 360.0-135.4 -65.5 133.6 33.6 10.6 25.9 3 13 A E - 0 0 161 -2,-0.2 2,-0.4 2,-0.0 -1,-0.1 -0.605 13.7-148.7 -85.6 148.9 31.6 8.8 23.2 4 14 A E - 0 0 176 -2,-0.2 2,-0.4 2,-0.0 0, 0.0 -0.933 15.1-177.3-120.2 137.3 30.8 10.7 20.0 5 15 A E - 0 0 86 -2,-0.4 2,-0.3 2,-0.0 -2,-0.0 -0.997 20.7-133.8-137.6 135.3 27.6 10.2 18.0 6 16 A E - 0 0 155 -2,-0.4 158,-0.5 158,-0.0 2,-0.3 -0.701 22.7-173.0 -86.6 140.0 26.5 11.7 14.7 7 17 A V - 0 0 58 -2,-0.3 2,-0.4 156,-0.1 156,-0.2 -0.947 10.3-157.9-126.0 147.2 22.9 13.0 14.5 8 18 A E E -A 162 0A 62 154,-1.9 154,-2.4 -2,-0.3 2,-0.5 -1.000 8.6-156.2-127.5 128.3 21.1 14.3 11.3 9 19 A T E -A 161 0A 94 -2,-0.4 2,-0.3 152,-0.2 152,-0.2 -0.907 14.3-169.6-106.8 126.3 18.2 16.6 11.8 10 20 A F E -A 160 0A 47 150,-3.5 150,-2.2 -2,-0.5 2,-0.4 -0.887 21.3-126.9-117.9 153.3 15.6 16.7 9.0 11 21 A A E -A 159 0A 74 -2,-0.3 148,-0.3 148,-0.2 2,-0.1 -0.723 33.9-116.6 -90.4 140.0 12.7 18.9 8.2 12 22 A F - 0 0 11 146,-2.3 87,-0.2 -2,-0.4 86,-0.1 -0.481 42.5 -89.7 -69.7 151.9 9.5 17.0 7.6 13 23 A Q >> - 0 0 39 85,-3.2 4,-2.2 87,-0.1 3,-0.5 -0.354 49.0-105.5 -57.7 142.9 8.1 17.5 4.0 14 24 A A H 3> S+ 0 0 55 1,-0.3 4,-2.0 2,-0.2 5,-0.1 0.856 118.3 42.7 -43.7 -53.3 5.8 20.6 4.1 15 25 A E H 3> S+ 0 0 41 2,-0.2 4,-2.3 1,-0.2 -1,-0.3 0.852 111.2 56.7 -67.3 -33.0 2.5 18.8 4.0 16 26 A I H <> S+ 0 0 1 -3,-0.5 4,-2.6 2,-0.2 -2,-0.2 0.961 108.7 46.4 -61.0 -48.3 3.7 16.1 6.5 17 27 A A H X S+ 0 0 22 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.896 111.0 53.5 -58.4 -42.5 4.5 18.8 9.0 18 28 A Q H X S+ 0 0 100 -4,-2.0 4,-1.5 -5,-0.3 -1,-0.2 0.923 109.5 47.7 -59.7 -42.9 1.1 20.4 8.3 19 29 A L H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.920 108.8 54.1 -65.1 -43.1 -0.6 17.1 9.0 20 30 A M H X S+ 0 0 4 -4,-2.6 4,-2.4 1,-0.2 5,-0.2 0.922 107.6 49.9 -60.0 -41.2 1.3 16.6 12.2 21 31 A S H X S+ 0 0 63 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.860 109.9 52.1 -64.1 -35.1 0.2 20.0 13.5 22 32 A L H X S+ 0 0 38 -4,-1.5 4,-0.5 -5,-0.2 -1,-0.2 0.899 110.6 47.4 -65.9 -45.0 -3.4 19.1 12.7 23 33 A I H < S+ 0 0 2 -4,-2.5 3,-0.4 1,-0.2 -2,-0.2 0.929 118.7 39.9 -62.8 -47.1 -3.2 15.8 14.6 24 34 A I H < S+ 0 0 48 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.790 117.4 45.2 -72.3 -37.1 -1.6 17.4 17.7 25 35 A N H < S+ 0 0 127 -4,-2.2 2,-0.4 -5,-0.2 -1,-0.2 0.299 100.8 72.3-100.0 13.7 -3.6 20.7 17.9 26 36 A T S < S- 0 0 62 -4,-0.5 2,-0.4 -3,-0.4 -4,-0.0 -0.936 80.4-115.9-124.5 152.2 -7.1 19.5 17.3 27 37 A F - 0 0 164 -2,-0.4 2,-0.4 0, 0.0 -2,-0.1 -0.643 35.8-178.8 -83.9 134.6 -9.4 17.5 19.6 28 38 A Y - 0 0 24 -2,-0.4 3,-0.3 105,-0.1 2,-0.2 -0.987 22.1-141.3-134.0 140.7 -10.3 14.1 18.3 29 39 A S S S+ 0 0 78 -2,-0.4 89,-0.3 1,-0.2 0, 0.0 -0.457 87.7 35.1 -81.7 176.9 -12.6 11.5 19.8 30 40 A N > + 0 0 53 -2,-0.2 3,-1.1 1,-0.1 -1,-0.2 0.852 60.3 156.7 35.3 58.5 -11.3 7.9 19.3 31 41 A K G > + 0 0 27 -3,-0.3 3,-2.3 1,-0.2 4,-0.2 0.699 57.3 87.9 -75.3 -19.3 -7.6 8.6 19.6 32 42 A E G > + 0 0 17 1,-0.3 3,-1.4 2,-0.1 4,-0.5 0.688 66.1 80.6 -53.7 -19.2 -7.3 4.9 20.5 33 43 A I G <> + 0 0 0 -3,-1.1 4,-2.0 1,-0.3 -1,-0.3 0.683 68.8 84.1 -64.3 -17.4 -7.0 4.1 16.8 34 44 A F H <> S+ 0 0 0 -3,-2.3 4,-2.0 1,-0.2 -1,-0.3 0.901 87.7 54.4 -50.1 -40.3 -3.3 5.0 17.0 35 45 A L H <> S+ 0 0 3 -3,-1.4 4,-2.3 1,-0.2 -1,-0.2 0.894 103.7 52.5 -65.7 -42.3 -2.7 1.5 18.3 36 46 A R H > S+ 0 0 44 -4,-0.5 4,-2.1 1,-0.2 -1,-0.2 0.893 108.8 51.3 -58.6 -42.1 -4.4 -0.2 15.3 37 47 A E H X S+ 0 0 15 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.925 111.3 46.7 -62.0 -45.5 -2.2 1.8 12.8 38 48 A L H X S+ 0 0 3 -4,-2.0 4,-1.8 -5,-0.2 -1,-0.2 0.892 112.4 49.4 -65.3 -40.4 1.0 0.8 14.5 39 49 A I H X S+ 0 0 0 -4,-2.3 4,-2.8 1,-0.2 -1,-0.2 0.861 108.5 54.4 -67.1 -34.0 0.0 -2.9 14.8 40 50 A S H X S+ 0 0 39 -4,-2.1 4,-2.7 2,-0.2 -1,-0.2 0.882 107.4 50.4 -66.7 -39.1 -0.9 -2.9 11.0 41 51 A N H X S+ 0 0 70 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.902 111.8 47.1 -63.4 -42.6 2.5 -1.5 10.2 42 52 A S H X S+ 0 0 5 -4,-1.8 4,-2.3 2,-0.2 5,-0.2 0.946 111.2 52.2 -63.0 -48.1 4.1 -4.3 12.3 43 53 A S H X S+ 0 0 16 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.944 110.9 47.2 -51.9 -49.2 1.8 -6.9 10.6 44 54 A D H X S+ 0 0 83 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.868 111.7 50.5 -59.9 -42.7 2.9 -5.6 7.1 45 55 A A H X S+ 0 0 14 -4,-2.2 4,-1.8 2,-0.2 41,-1.6 0.820 108.7 51.8 -65.9 -34.4 6.6 -5.7 8.2 46 56 A L H X S+ 0 0 0 -4,-2.3 4,-2.4 39,-0.3 -2,-0.2 0.904 107.7 52.9 -69.3 -39.4 6.2 -9.3 9.4 47 57 A D H X S+ 0 0 51 -4,-2.2 4,-2.6 -5,-0.2 5,-0.3 0.928 106.9 53.6 -59.2 -46.8 4.6 -10.3 6.1 48 58 A K H X S+ 0 0 126 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.929 111.1 42.7 -56.5 -49.5 7.6 -8.9 4.3 49 59 A I H X S+ 0 0 0 -4,-1.8 4,-2.4 1,-0.2 -1,-0.2 0.877 112.0 56.3 -65.7 -38.8 10.2 -10.8 6.2 50 60 A R H < S+ 0 0 84 -4,-2.4 4,-0.5 1,-0.2 -2,-0.2 0.939 111.9 40.9 -57.6 -47.8 8.1 -13.9 6.0 51 61 A Y H >X S+ 0 0 128 -4,-2.6 3,-0.7 1,-0.2 4,-0.7 0.850 113.5 52.8 -70.2 -35.6 7.9 -13.8 2.1 52 62 A E H >X S+ 0 0 64 -4,-2.2 4,-1.9 -5,-0.3 3,-1.2 0.925 103.0 60.4 -63.6 -42.0 11.5 -12.8 1.8 53 63 A S H 3< S+ 0 0 18 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.669 93.3 65.2 -58.8 -19.7 12.4 -15.8 4.0 54 64 A L H <4 S+ 0 0 122 -3,-0.7 -1,-0.3 -4,-0.5 -2,-0.2 0.846 112.1 33.4 -73.4 -31.8 10.9 -18.3 1.4 55 65 A T H << S+ 0 0 133 -3,-1.2 -2,-0.2 -4,-0.7 -1,-0.2 0.761 136.6 23.9 -92.5 -26.6 13.5 -17.3 -1.2 56 66 A D >< - 0 0 63 -4,-1.9 3,-2.2 -5,-0.1 -1,-0.2 -0.729 61.6-177.5-144.4 88.4 16.3 -16.8 1.3 57 67 A P G > S+ 0 0 90 0, 0.0 3,-1.9 0, 0.0 -4,-0.1 0.700 79.6 74.8 -56.9 -26.1 15.9 -18.6 4.7 58 68 A S G > S+ 0 0 58 1,-0.3 3,-1.7 2,-0.2 4,-0.3 0.682 76.6 77.1 -65.5 -15.4 19.1 -17.0 5.9 59 69 A K G < S+ 0 0 51 -3,-2.2 3,-0.3 1,-0.3 -1,-0.3 0.626 89.1 59.4 -68.4 -11.3 17.1 -13.7 6.3 60 70 A L G X S+ 0 0 32 -3,-1.9 3,-1.7 1,-0.2 -1,-0.3 0.313 73.0 97.2 -96.6 6.4 15.7 -15.4 9.5 61 71 A D T < S+ 0 0 135 -3,-1.7 3,-0.2 1,-0.3 -1,-0.2 0.898 77.5 62.6 -59.1 -37.1 19.2 -15.8 11.1 62 72 A S T 3 S- 0 0 31 -4,-0.3 -1,-0.3 -3,-0.3 -2,-0.1 0.184 133.7 -40.5 -73.3 14.0 18.3 -12.5 13.0 63 73 A G < - 0 0 32 -3,-1.7 -1,-0.3 108,-0.1 -2,-0.1 0.127 44.3-148.2 126.6 123.9 15.4 -14.3 14.7 64 74 A K + 0 0 169 -3,-0.2 2,-0.2 2,-0.0 -3,-0.1 0.773 68.5 100.5 -88.9 -26.1 12.9 -16.8 13.5 65 75 A E - 0 0 138 -5,-0.1 2,-0.7 1,-0.1 0, 0.0 -0.392 57.0-158.1 -67.8 127.8 10.0 -15.8 15.7 66 76 A L + 0 0 36 -2,-0.2 2,-0.3 17,-0.1 19,-0.1 -0.913 41.0 108.8-111.4 105.8 7.4 -13.6 14.0 67 77 A H - 0 0 35 -2,-0.7 17,-1.4 139,-0.2 2,-0.4 -0.972 55.6-112.1-166.4 175.5 5.4 -11.5 16.5 68 78 A I E -Bc 83 208A 0 139,-2.3 141,-2.5 -2,-0.3 2,-0.4 -0.984 18.4-163.9-126.0 139.5 4.4 -8.4 18.4 69 79 A N E -Bc 82 209A 33 13,-2.7 13,-2.7 -2,-0.4 2,-0.5 -0.966 5.6-157.0-124.6 131.1 4.9 -7.3 22.0 70 80 A L E -Bc 81 210A 3 139,-3.2 141,-2.7 -2,-0.4 11,-0.2 -0.954 13.6-177.1-107.7 127.7 3.0 -4.4 23.8 71 81 A I E -B 80 0A 64 9,-2.7 9,-2.1 -2,-0.5 2,-0.3 -0.855 5.8-170.7-131.8 97.0 4.8 -3.0 26.8 72 82 A P E -B 79 0A 11 0, 0.0 2,-0.5 0, 0.0 141,-0.4 -0.679 5.5-162.7 -86.2 144.1 3.2 -0.2 28.9 73 83 A N E >> -B 78 0A 46 5,-2.7 5,-1.4 -2,-0.3 4,-1.1 -0.938 11.6-175.2-131.1 105.7 5.4 1.5 31.5 74 84 A K T 45S+ 0 0 93 -2,-0.5 -1,-0.1 3,-0.2 5,-0.0 0.640 82.6 61.7 -72.5 -19.6 3.6 3.4 34.3 75 85 A Q T 45S+ 0 0 146 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.933 121.1 18.4 -73.9 -50.7 6.8 4.7 35.7 76 86 A D T 45S- 0 0 92 2,-0.1 -2,-0.2 0, 0.0 -1,-0.1 0.414 103.6-121.4-105.7 10.7 8.0 6.6 32.7 77 87 A R T <5 + 0 0 81 -4,-1.1 103,-2.0 1,-0.2 2,-0.4 0.912 63.1 136.3 56.3 48.7 4.6 6.8 31.0 78 88 A T E < -BD 73 179A 10 -5,-1.4 -5,-2.7 101,-0.2 2,-0.5 -0.964 42.6-156.1-121.8 149.9 5.6 5.1 27.7 79 89 A L E -BD 72 178A 0 99,-1.8 99,-2.7 -2,-0.4 2,-0.5 -0.992 19.0-159.8-119.2 123.4 3.7 2.5 25.7 80 90 A T E -BD 71 177A 17 -9,-2.1 -9,-2.7 -2,-0.5 2,-0.6 -0.909 10.1-165.6-110.0 130.5 6.1 0.5 23.5 81 91 A I E -BD 70 176A 1 95,-2.9 95,-3.2 -2,-0.5 2,-0.4 -0.965 17.2-176.4-114.8 115.5 5.0 -1.5 20.4 82 92 A V E +BD 69 175A 18 -13,-2.7 -13,-2.7 -2,-0.6 2,-0.3 -0.952 6.4 178.5-119.7 137.7 7.7 -4.0 19.2 83 93 A D E -BD 68 174A 6 91,-2.9 91,-0.6 -2,-0.4 -15,-0.2 -0.858 33.0-142.4-128.4 164.0 7.8 -6.3 16.2 84 94 A T + 0 0 29 -17,-1.4 89,-0.2 -2,-0.3 -16,-0.1 -0.179 63.5 129.4-110.6 35.0 10.2 -8.8 14.7 85 95 A G S S- 0 0 0 89,-0.2 -39,-0.3 -18,-0.1 -40,-0.1 0.170 79.8 -67.3 -75.5-163.6 9.2 -7.7 11.2 86 96 A I - 0 0 14 -41,-1.6 59,-0.6 -44,-0.2 87,-0.2 0.730 67.7-152.5 -64.2 -25.2 11.4 -6.7 8.2 87 97 A G - 0 0 3 57,-0.2 2,-0.4 85,-0.2 57,-0.2 -0.153 20.0 -79.0 73.3-178.3 12.7 -3.5 9.9 88 98 A M - 0 0 27 85,-0.4 56,-0.3 56,-0.1 62,-0.2 -0.985 26.5-142.1-131.3 133.9 13.8 -0.4 8.0 89 99 A T > - 0 0 32 -2,-0.4 4,-2.0 54,-0.1 5,-0.1 -0.271 42.2 -97.4 -76.0 171.4 17.0 0.6 6.2 90 100 A K H > S+ 0 0 68 1,-0.2 4,-2.0 2,-0.2 3,-0.3 0.955 128.7 47.5 -57.2 -52.3 18.2 4.2 6.5 91 101 A A H > S+ 0 0 57 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.884 108.7 56.5 -55.8 -39.1 16.7 5.1 3.1 92 102 A D H > S+ 0 0 53 1,-0.2 4,-3.2 2,-0.2 5,-0.4 0.908 108.2 48.0 -56.2 -46.9 13.4 3.4 4.3 93 103 A L H X S+ 0 0 0 -4,-2.0 4,-2.2 -3,-0.3 -2,-0.2 0.901 114.0 44.4 -60.4 -48.6 13.4 5.6 7.4 94 104 A I H <>S+ 0 0 26 -4,-2.0 5,-2.0 2,-0.2 6,-0.8 0.886 121.2 41.0 -65.4 -41.1 14.0 8.9 5.4 95 105 A N H <5S+ 0 0 73 -4,-2.7 3,-0.3 -5,-0.2 5,-0.2 0.864 125.0 33.6 -76.8 -39.7 11.4 7.9 2.8 96 106 A N H <5S+ 0 0 81 -4,-3.2 -3,-0.2 -5,-0.3 -2,-0.2 0.720 119.0 49.4 -88.8 -28.6 8.8 6.4 5.1 97 107 A L T <5S- 0 0 8 -4,-2.2 -1,-0.2 -5,-0.4 -2,-0.1 -0.125 125.4 -48.1-111.0 44.3 9.2 8.6 8.1 98 108 A G T 5S+ 0 0 2 -3,-0.3 -85,-3.2 2,-0.2 -82,-0.2 0.135 107.6 74.6 139.8 -44.4 9.2 12.2 6.9 99 109 A T S - 0 0 73 1,-0.1 3,-0.8 -4,-0.1 4,-0.4 -0.917 8.6-136.5-110.7 135.9 3.1 11.1 0.4 103 113 A S T 3 S+ 0 0 137 -2,-0.4 4,-0.4 1,-0.2 3,-0.1 0.738 102.5 49.7 -64.0 -22.1 0.4 11.1 -2.3 104 114 A G T 3> S+ 0 0 9 20,-0.4 4,-2.9 1,-0.1 -1,-0.2 0.538 83.5 90.1 -95.0 -10.7 -2.4 11.0 0.3 105 115 A T H <> S+ 0 0 1 -3,-0.8 4,-2.3 2,-0.2 5,-0.2 0.915 89.8 43.9 -51.8 -53.2 -1.4 13.8 2.6 106 116 A K H > S+ 0 0 131 -4,-0.4 4,-2.0 1,-0.2 5,-0.2 0.930 114.9 50.9 -61.4 -41.3 -3.2 16.6 0.9 107 117 A A H > S+ 0 0 44 -4,-0.4 4,-2.1 1,-0.2 -2,-0.2 0.919 110.1 49.1 -62.5 -45.8 -6.3 14.5 0.5 108 118 A F H X S+ 0 0 0 -4,-2.9 4,-2.7 1,-0.2 -1,-0.2 0.926 109.3 50.0 -65.0 -42.1 -6.3 13.5 4.1 109 119 A M H X S+ 0 0 14 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.887 111.2 49.5 -63.2 -40.1 -6.0 17.0 5.5 110 120 A E H X S+ 0 0 137 -4,-2.0 4,-1.4 -5,-0.2 -1,-0.2 0.903 111.5 51.3 -63.4 -40.8 -8.8 18.2 3.3 111 121 A A H <>S+ 0 0 29 -4,-2.1 5,-2.0 -5,-0.2 4,-0.2 0.919 111.5 45.9 -62.5 -41.4 -10.8 15.3 4.6 112 122 A L H ><5S+ 0 0 13 -4,-2.7 3,-1.7 1,-0.2 -2,-0.2 0.900 107.9 55.2 -67.8 -43.0 -10.1 16.2 8.2 113 123 A Q H 3<5S+ 0 0 138 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.819 106.4 54.3 -59.9 -29.6 -10.9 19.8 7.8 114 124 A A T 3<5S- 0 0 93 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.542 131.8 -93.4 -83.3 -6.2 -14.2 18.6 6.4 115 125 A G T < 5 + 0 0 63 -3,-1.7 -3,-0.2 -4,-0.2 -2,-0.1 0.634 64.7 162.5 108.0 16.3 -14.8 16.6 9.6 116 126 A A < - 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