==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CHAPERONE ACTIVATOR 26-MAY-10 3N72 . COMPND 2 MOLECULE: PUTATIVE ACTIVATOR OF HSP90; . SOURCE 2 ORGANISM_SCIENTIFIC: PLASMODIUM FALCIPARUM; . AUTHOR A.K.WERNIMONT,A.DONG,A.HUTCHINSON,H.SULLIVAN,F.MACKENZIE, . 295 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17391.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 218 73.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 83 28.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 4 1.4 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 . 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 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 91 30.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 4.1 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 2 2 0 0 2 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 1 5 0 1 0 0 0 1 0 0 1 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 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 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 8 A S 0 0 114 0, 0.0 2,-0.2 0, 0.0 251,-0.0 0.000 360.0 360.0 360.0 -36.7 48.2 -20.1 7.5 2 9 A S > - 0 0 50 1,-0.1 4,-2.7 0, 0.0 5,-0.2 -0.527 360.0-115.6 -91.0 159.6 51.4 -22.3 7.0 3 10 A G H > S+ 0 0 56 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.863 118.2 56.3 -56.6 -35.9 54.9 -21.3 5.8 4 11 A R H > S+ 0 0 194 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.953 109.2 44.2 -62.1 -50.2 54.3 -23.5 2.7 5 12 A E H > S+ 0 0 44 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.896 110.0 56.7 -61.9 -40.7 51.1 -21.5 1.8 6 13 A N H < S+ 0 0 37 -4,-2.7 249,-2.7 1,-0.2 250,-0.3 0.883 114.4 38.9 -60.4 -35.8 52.8 -18.2 2.5 7 14 A L H < S+ 0 0 102 -4,-1.8 -2,-0.2 247,-0.2 -1,-0.2 0.919 130.4 24.8 -77.5 -44.4 55.5 -19.1 -0.1 8 15 A Y H < S+ 0 0 158 -4,-2.5 -3,-0.2 -5,-0.2 -2,-0.2 0.512 79.3 124.0-106.7 -9.3 53.4 -20.8 -2.8 9 16 A F < - 0 0 29 -4,-2.5 247,-0.3 -5,-0.2 3,-0.1 -0.384 47.9-153.9 -60.0 127.5 49.9 -19.5 -2.5 10 17 A Q - 0 0 107 41,-0.3 -1,-0.1 1,-0.2 2,-0.1 0.395 44.6-102.4 -90.2 -1.3 48.9 -18.0 -5.9 11 18 A G - 0 0 5 40,-0.2 2,-0.9 2,-0.1 40,-0.4 -0.131 34.2 -69.2 107.8 165.4 46.3 -15.5 -4.6 12 19 A E - 0 0 49 213,-0.5 213,-2.5 38,-0.1 2,-0.3 -0.851 51.6-143.8 -93.7 104.6 42.6 -15.1 -4.3 13 20 A R E -AB 49 224A 22 36,-2.1 36,-2.3 -2,-0.9 2,-0.4 -0.531 10.9-143.7 -71.8 131.1 41.4 -14.6 -7.9 14 21 A N E +A 48 0A 8 209,-2.7 209,-0.4 -2,-0.3 34,-0.3 -0.850 20.8 180.0-100.7 135.7 38.5 -12.1 -8.1 15 22 A Y > + 0 0 23 32,-2.9 4,-2.9 -2,-0.4 5,-0.2 -0.123 35.1 130.7-125.0 37.6 35.7 -12.6 -10.6 16 23 A N H > S+ 0 0 10 31,-0.3 4,-2.4 1,-0.2 5,-0.2 0.925 75.6 45.9 -59.5 -48.7 33.6 -9.6 -9.9 17 24 A K H > S+ 0 0 166 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.940 114.9 47.2 -62.8 -47.0 33.2 -8.5 -13.5 18 25 A W H > S+ 0 0 54 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.920 113.8 47.6 -60.6 -45.8 32.5 -12.0 -14.8 19 26 A A H X S+ 0 0 0 -4,-2.9 4,-2.2 2,-0.2 5,-0.2 0.908 112.6 47.1 -66.8 -44.2 29.9 -12.7 -12.1 20 27 A E H X S+ 0 0 63 -4,-2.4 4,-2.4 -5,-0.2 -1,-0.2 0.929 114.4 48.1 -59.5 -47.9 28.0 -9.4 -12.6 21 28 A S H X S+ 0 0 67 -4,-2.5 4,-2.9 -5,-0.2 5,-0.2 0.890 111.4 50.5 -60.4 -44.4 28.0 -9.8 -16.4 22 29 A Y H X S+ 0 0 33 -4,-2.6 4,-2.3 2,-0.2 5,-0.3 0.910 113.2 44.0 -58.7 -49.4 26.8 -13.5 -16.1 23 30 A I H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 5,-0.3 0.943 118.1 45.9 -61.9 -48.8 23.9 -12.7 -13.8 24 31 A K H X S+ 0 0 86 -4,-2.4 4,-2.2 -5,-0.2 -2,-0.2 0.916 114.7 45.8 -61.3 -46.7 22.9 -9.7 -15.8 25 32 A Y H X S+ 0 0 150 -4,-2.9 4,-1.2 2,-0.2 -1,-0.2 0.926 115.9 44.8 -66.6 -45.7 23.2 -11.4 -19.2 26 33 A N H < S+ 0 0 45 -4,-2.3 3,-0.3 -5,-0.2 -2,-0.2 0.946 117.5 42.2 -68.5 -44.4 21.3 -14.5 -18.2 27 34 A L H >< S+ 0 0 0 -4,-2.4 3,-1.1 -5,-0.3 11,-0.2 0.860 112.0 54.5 -69.6 -37.0 18.4 -12.7 -16.4 28 35 A S H 3< S+ 0 0 47 -4,-2.2 10,-0.3 -5,-0.3 -1,-0.2 0.768 110.8 47.1 -66.0 -25.1 18.1 -10.0 -19.0 29 36 A N T 3< S+ 0 0 98 -4,-1.2 2,-0.5 -3,-0.3 -1,-0.2 0.295 89.1 107.2 -99.6 4.3 17.6 -12.7 -21.7 30 37 A L < + 0 0 28 -3,-1.1 8,-0.6 -4,-0.1 2,-0.3 -0.773 43.7 172.1 -87.1 127.6 15.1 -14.7 -19.6 31 38 A K E -C 37 0A 144 -2,-0.5 2,-0.5 6,-0.1 6,-0.2 -0.943 27.3-146.2-128.8 151.2 11.5 -14.5 -20.9 32 39 A I E C 36 0A 7 4,-2.2 4,-2.7 -2,-0.3 85,-0.0 -0.959 360.0 360.0-119.9 108.7 8.4 -16.4 -19.8 33 40 A E 0 0 128 -2,-0.5 -1,-0.1 2,-0.2 4,-0.0 0.387 360.0 360.0-128.5 360.0 6.2 -16.9 -22.9 34 ! 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 35 45 A T 0 0 85 0, 0.0 36,-2.0 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 115.0 5.3 -12.6 -22.3 36 46 A I E -CD 32 70A 8 -4,-2.7 -4,-2.2 34,-0.2 2,-0.3 -0.934 360.0-178.6-105.8 128.6 7.1 -11.7 -19.0 37 47 A Y E -CD 31 69A 41 32,-3.6 32,-2.9 -2,-0.5 2,-0.4 -0.824 19.1-135.1-123.0 166.2 10.5 -10.0 -19.3 38 48 A F E + D 0 68A 7 -8,-0.6 2,-0.3 -10,-0.3 30,-0.2 -0.978 30.8 153.4-128.1 137.6 13.2 -8.7 -17.0 39 49 A D E + D 0 67A 117 28,-2.5 28,-3.5 -2,-0.4 -10,-0.0 -0.855 42.2 57.9-149.4 172.2 15.0 -5.4 -17.1 40 50 A N E - 0 0 38 -2,-0.3 2,-0.4 26,-0.2 -1,-0.1 0.918 68.2-167.4 64.1 51.3 16.8 -2.8 -14.9 41 51 A L E + 0 0 23 25,-0.2 2,-0.4 -3,-0.1 25,-0.2 -0.560 16.9 178.9 -82.2 129.2 19.4 -5.2 -13.5 42 52 A Q E - D 0 65A 111 23,-3.3 23,-3.1 -2,-0.4 2,-0.5 -0.998 4.0-174.5-125.5 123.9 21.6 -4.2 -10.6 43 53 A V E - D 0 64A 15 -2,-0.4 2,-0.5 21,-0.2 21,-0.2 -0.978 5.2-178.6-127.9 117.6 24.0 -6.8 -9.3 44 54 A S E + D 0 63A 81 19,-2.7 19,-2.6 -2,-0.5 2,-0.3 -0.962 35.1 53.7-127.1 115.6 26.0 -5.9 -6.1 45 55 A G E - D 0 62A 17 -2,-0.5 2,-0.3 17,-0.2 17,-0.2 -0.998 66.3 -77.5 162.7-153.8 28.6 -8.1 -4.5 46 56 A N E - D 0 61A 40 15,-2.0 15,-2.2 -2,-0.3 2,-0.3 -0.984 20.7-168.0-148.5 149.1 31.8 -10.1 -4.9 47 57 A A E + D 0 60A 0 -2,-0.3 -32,-2.9 13,-0.2 2,-0.3 -0.993 12.5 175.0-142.8 137.5 33.0 -13.4 -6.2 48 58 A C E -AD 14 59A 10 11,-2.9 11,-2.1 -2,-0.3 2,-0.4 -0.989 14.6-164.9-142.6 148.9 36.4 -15.2 -5.7 49 59 A V E +AD 13 58A 0 -36,-2.3 -36,-2.1 -2,-0.3 2,-0.3 -0.999 14.7 176.4-133.0 134.7 38.2 -18.5 -6.6 50 60 A S E - D 0 57A 17 7,-2.9 7,-2.8 -2,-0.4 2,-0.6 -0.906 29.5-127.8-127.8 158.9 41.5 -19.8 -4.9 51 61 A I E + D 0 56A 77 -40,-0.4 -41,-0.3 -2,-0.3 2,-0.3 -0.962 46.9 147.4-104.8 119.8 43.5 -22.9 -5.2 52 62 A R E > + D 0 55A 87 3,-2.0 3,-1.9 -2,-0.6 -2,-0.1 -0.988 59.4 9.7-147.6 144.3 44.1 -24.3 -1.7 53 63 A K T 3 S- 0 0 168 -2,-0.3 3,-0.1 1,-0.3 -1,-0.1 0.783 130.2 -59.7 61.7 25.4 44.5 -27.8 -0.3 54 64 A G T 3 S+ 0 0 77 1,-0.2 2,-0.3 0, 0.0 -1,-0.3 0.676 117.7 82.9 77.8 20.5 44.7 -29.1 -3.8 55 65 A K E < S-D 52 0A 116 -3,-1.9 -3,-2.0 2,-0.0 2,-0.4 -0.956 83.4 -94.2-148.1 160.8 41.3 -27.9 -5.0 56 66 A Q E -D 51 0A 69 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.727 40.4-167.9 -75.8 129.1 39.3 -24.9 -6.4 57 67 A I E -D 50 0A 78 -7,-2.8 -7,-2.9 -2,-0.4 2,-0.3 -0.981 8.1-174.2-118.9 131.6 37.7 -23.1 -3.5 58 68 A N E +D 49 0A 26 -2,-0.4 2,-0.3 -9,-0.2 -9,-0.2 -0.885 13.6 178.6-126.8 155.8 35.0 -20.4 -4.3 59 69 A S E +D 48 0A 46 -11,-2.1 -11,-2.9 -2,-0.3 2,-0.3 -0.976 5.6 169.9-147.5 151.0 33.0 -17.9 -2.5 60 70 A F E -D 47 0A 0 -2,-0.3 25,-1.9 -13,-0.2 2,-0.3 -0.978 12.1-172.3-156.7 152.5 30.4 -15.3 -3.6 61 71 A E E +DE 46 84A 97 -15,-2.2 -15,-2.0 -2,-0.3 2,-0.3 -0.923 20.4 167.1-152.1 118.2 27.9 -12.9 -2.0 62 72 A Y E -DE 45 83A 4 21,-1.5 21,-2.4 -2,-0.3 2,-0.4 -0.966 31.7-154.8-137.5 140.8 25.4 -10.9 -4.1 63 73 A I E -D 44 0A 74 -19,-2.6 -19,-2.7 -2,-0.3 2,-0.5 -0.971 24.9-163.4-102.3 135.2 22.3 -8.8 -3.9 64 74 A I E +DE 43 80A 0 16,-2.5 16,-3.4 -2,-0.4 2,-0.4 -0.986 9.7 179.4-123.4 123.5 20.4 -8.9 -7.2 65 75 A K E +DE 42 79A 95 -23,-3.1 -23,-3.3 -2,-0.5 2,-0.3 -0.979 12.6 141.5-124.7 138.3 17.7 -6.4 -8.1 66 76 A F E - E 0 78A 4 12,-2.7 12,-3.9 -2,-0.4 2,-0.3 -0.951 38.3-113.5-155.8 175.6 15.7 -6.0 -11.2 67 77 A E E -DE 39 77A 105 -28,-3.5 -28,-2.5 -2,-0.3 2,-0.4 -0.874 19.3-141.1-116.3 154.0 12.3 -5.2 -12.6 68 78 A W E -DE 38 76A 4 8,-1.9 7,-1.7 -2,-0.3 8,-1.5 -0.908 16.1-170.5-110.5 142.5 9.8 -7.3 -14.4 69 79 A L E -DE 37 74A 29 -32,-2.9 -32,-3.6 -2,-0.4 2,-0.4 -0.986 12.3-151.1-130.5 143.5 7.6 -6.2 -17.4 70 80 A Y E D 36 0A 83 3,-1.2 -34,-0.2 -2,-0.4 -2,-0.0 -0.950 360.0 360.0-109.9 133.5 4.7 -7.8 -19.1 71 81 A S 0 0 114 -36,-2.0 -35,-0.0 -2,-0.4 -2,-0.0 -0.668 360.0 360.0-147.1 360.0 4.2 -7.0 -22.8 72 ! 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 73 89 A Y 0 0 73 0, 0.0 -3,-1.2 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 131.6 4.3 -2.2 -19.7 74 90 A F E +E 69 0A 96 -5,-0.2 -5,-0.2 1,-0.2 -3,-0.0 -0.562 360.0 174.5 -70.2 125.9 6.0 -1.8 -16.4 75 91 A G E - 0 0 4 -7,-1.7 2,-0.3 -2,-0.3 -6,-0.2 0.750 42.9-100.6-103.6 -34.9 5.0 -4.5 -14.0 76 92 A G E -E 68 0A 26 -8,-1.5 -8,-1.9 2,-0.0 -1,-0.3 -0.986 43.2 -45.1 147.6-154.2 7.2 -4.0 -10.9 77 93 A S E -E 67 0A 58 21,-0.9 21,-3.2 -2,-0.3 2,-0.4 -0.842 28.1-163.4-126.6 153.7 10.4 -5.0 -9.1 78 94 A V E -EF 66 97A 6 -12,-3.9 -12,-2.7 -2,-0.3 2,-0.4 -0.984 6.7-169.0-134.0 139.0 12.2 -8.2 -8.0 79 95 A E E -EF 65 96A 65 17,-2.6 17,-3.3 -2,-0.4 -14,-0.2 -0.998 16.2-165.2-129.0 135.4 15.0 -8.7 -5.4 80 96 A I E -E 64 0A 0 -16,-3.4 -16,-2.5 -2,-0.4 3,-0.4 -0.935 18.0-171.7-109.9 101.8 17.2 -11.7 -4.7 81 97 A P E S+ 0 0 44 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.763 70.2 23.4 -73.0 -28.3 18.6 -10.6 -1.3 82 98 A D E + 0 0 87 12,-0.4 2,-1.0 -19,-0.1 -19,-0.2 -0.631 58.1 164.7-145.8 79.7 21.2 -13.3 -0.7 83 99 A F E +E 62 0A 0 -21,-2.4 -21,-1.5 -3,-0.4 2,-0.2 -0.826 36.2 154.5 -93.0 100.0 22.6 -15.1 -3.7 84 100 A S E > -E 61 0A 23 -2,-1.0 3,-2.9 -23,-0.2 4,-0.5 -0.772 55.5 -72.1-134.8 178.2 25.7 -16.7 -2.0 85 101 A T T 3 S+ 0 0 12 -25,-1.9 3,-0.4 1,-0.3 -24,-0.1 0.688 126.5 29.6 -39.0 -51.2 28.2 -19.5 -2.0 86 102 A F T >> S+ 0 0 155 1,-0.2 3,-1.1 -26,-0.1 4,-0.6 0.347 91.8 97.8 -98.8 8.6 25.9 -22.3 -0.9 87 103 A S H <>>S+ 0 0 9 -3,-2.9 4,-1.0 1,-0.2 5,-0.8 0.747 81.3 54.5 -64.0 -30.0 22.6 -21.0 -2.3 88 104 A L H 345S+ 0 0 15 -4,-0.5 -1,-0.2 -3,-0.4 -2,-0.1 0.479 85.5 80.7 -90.4 -3.1 22.9 -23.2 -5.4 89 105 A E H <45S+ 0 0 119 -3,-1.1 -1,-0.2 1,-0.1 -2,-0.2 0.948 123.4 2.1 -60.1 -48.4 23.3 -26.5 -3.5 90 106 A E H <5S- 0 0 156 -4,-0.6 -2,-0.2 -3,-0.2 -1,-0.1 0.431 91.8-129.0-118.9 -1.3 19.5 -26.6 -3.0 91 107 A N T <5 + 0 0 46 -4,-1.0 -3,-0.2 -5,-0.2 -4,-0.1 0.906 65.1 136.7 51.0 45.3 18.4 -23.4 -4.9 92 108 A D < + 0 0 113 -5,-0.8 2,-0.2 2,-0.0 -1,-0.1 -0.167 20.9 124.0-120.3 35.3 16.5 -22.5 -1.8 93 109 A Y - 0 0 16 -6,-0.3 2,-0.2 1,-0.1 -10,-0.1 -0.592 66.1 -99.6 -87.5 157.5 17.4 -18.8 -1.5 94 110 A A - 0 0 56 -2,-0.2 2,-0.4 -12,-0.1 -12,-0.4 -0.491 28.3-165.3 -81.9 146.4 14.6 -16.3 -1.4 95 111 A I - 0 0 7 -2,-0.2 2,-0.6 -15,-0.2 -15,-0.2 -0.993 9.7-153.7-126.8 125.3 13.3 -14.2 -4.3 96 112 A N E -F 79 0A 89 -17,-3.3 -17,-2.6 -2,-0.4 2,-0.5 -0.903 12.2-172.9-101.2 114.5 11.1 -11.2 -3.5 97 113 A I E F 78 0A 22 -2,-0.6 -19,-0.2 -19,-0.2 -30,-0.0 -0.920 360.0 360.0-109.7 129.1 8.7 -10.2 -6.2 98 114 A E 0 0 62 -21,-3.2 -21,-0.9 -2,-0.5 -30,-0.2 -0.979 360.0 360.0-118.4 360.0 6.5 -7.0 -6.0 99 ! 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 0.0 100 117 A D 0 0 87 0, 0.0 -25,-0.0 0, 0.0 -24,-0.0 0.000 360.0 360.0 360.0 7.0 1.2 -3.3 -8.4 101 118 A E + 0 0 191 4,-0.1 2,-0.1 5,-0.0 0, 0.0 0.501 360.0 100.1 -87.8 -4.1 -2.3 -2.7 -6.9 102 119 A S S > S- 0 0 59 1,-0.1 4,-1.7 4,-0.0 0, 0.0 -0.400 80.1-118.2 -81.5 160.0 -4.4 -3.5 -10.0 103 120 A E H > S+ 0 0 135 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.782 111.5 60.2 -68.5 -30.0 -6.2 -6.8 -10.7 104 121 A N H > S+ 0 0 53 2,-0.2 4,-1.7 1,-0.2 5,-0.2 0.968 108.0 41.9 -58.3 -56.6 -4.1 -7.4 -13.9 105 122 A L H > S+ 0 0 24 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.845 113.2 56.5 -64.0 -32.9 -0.8 -7.4 -12.0 106 123 A R H X S+ 0 0 143 -4,-1.7 4,-2.4 2,-0.2 -1,-0.2 0.919 106.8 45.6 -64.6 -47.3 -2.4 -9.5 -9.2 107 124 A F H X S+ 0 0 134 -4,-2.0 4,-3.3 2,-0.2 5,-0.2 0.935 114.4 47.4 -66.4 -47.1 -3.6 -12.4 -11.4 108 125 A I H X>S+ 0 0 32 -4,-1.7 4,-1.9 2,-0.2 5,-1.7 0.879 112.4 51.1 -57.4 -43.7 -0.3 -12.7 -13.3 109 126 A Y H <>S+ 0 0 69 -4,-2.0 5,-2.7 -5,-0.2 6,-0.2 0.937 117.9 38.4 -58.8 -46.7 1.7 -12.6 -10.0 110 127 A D H <5S+ 0 0 82 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 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