==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CHAPERONE/CHAPERONE INHIBITOR 17-MAR-11 3R4N . COMPND 2 MOLECULE: HEAT SHOCK PROTEIN HSP 90-ALPHA; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR K.S.GAJIWALA . 444 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23641.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 308 69.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 2.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 85 19.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 22 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 64 14.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 111 25.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 2.3 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 2 0 0 1 3 2 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 1 0 0 3 1 6 0 2 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 0 2 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 10 A Q 0 0 238 0, 0.0 2,-0.2 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 -0.8 3.9 -13.1 18.5 2 11 A P - 0 0 89 0, 0.0 3,-0.1 0, 0.0 0, 0.0 -0.518 360.0-133.6 -69.9 141.0 3.9 -10.7 21.4 3 12 A M S S+ 0 0 181 1,-0.2 2,-0.3 -2,-0.2 0, 0.0 0.919 89.7 5.0 -51.2 -47.7 7.2 -8.8 21.9 4 13 A E - 0 0 121 2,-0.0 2,-0.3 -3,-0.0 -1,-0.2 -0.971 60.6-174.8-137.8 151.1 7.0 -9.7 25.6 5 14 A E + 0 0 176 -2,-0.3 2,-0.3 -3,-0.1 0, 0.0 -0.971 16.7 161.2-139.8 138.4 4.8 -11.7 27.9 6 15 A E - 0 0 69 -2,-0.3 2,-0.3 2,-0.0 -2,-0.0 -0.989 37.9-111.3-154.5 152.5 5.1 -11.9 31.7 7 16 A E - 0 0 152 -2,-0.3 158,-0.5 2,-0.0 2,-0.5 -0.606 28.1-162.3 -81.0 135.7 3.1 -12.8 34.7 8 17 A V - 0 0 57 -2,-0.3 2,-0.4 156,-0.1 156,-0.2 -0.988 3.7-157.3-120.8 126.5 2.1 -10.0 37.0 9 18 A E E -A 163 0A 53 154,-2.8 154,-2.3 -2,-0.5 2,-0.5 -0.836 0.9-155.5-103.2 139.0 1.0 -10.7 40.6 10 19 A T E -A 162 0A 97 -2,-0.4 2,-0.4 152,-0.2 152,-0.2 -0.967 13.4-174.9-115.2 128.5 -1.2 -8.4 42.6 11 20 A F E -A 161 0A 58 150,-2.9 150,-2.5 -2,-0.5 2,-0.4 -0.925 23.1-124.2-119.6 145.4 -1.1 -8.5 46.5 12 21 A A E -A 160 0A 74 -2,-0.4 148,-0.3 148,-0.2 2,-0.1 -0.713 30.0-118.7 -83.3 136.4 -3.1 -6.7 49.1 13 22 A F - 0 0 13 146,-2.2 87,-0.2 -2,-0.4 2,-0.1 -0.424 37.1 -97.3 -62.5 146.2 -1.2 -4.7 51.7 14 23 A Q >> - 0 0 59 85,-3.5 4,-2.3 1,-0.1 3,-0.6 -0.441 44.5-107.0 -61.6 146.2 -1.7 -5.8 55.3 15 24 A A H 3> S+ 0 0 65 1,-0.3 4,-2.4 2,-0.2 5,-0.1 0.819 115.7 47.3 -54.9 -45.3 -4.3 -3.6 56.8 16 25 A E H 3> S+ 0 0 59 2,-0.2 4,-2.5 1,-0.2 -1,-0.3 0.858 111.9 51.6 -67.6 -34.5 -2.1 -1.4 59.1 17 26 A I H <> S+ 0 0 3 -3,-0.6 4,-2.5 2,-0.2 -2,-0.2 0.926 110.3 48.8 -64.2 -43.3 0.3 -0.8 56.3 18 27 A A H X S+ 0 0 29 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.897 111.2 51.3 -61.2 -40.1 -2.5 0.2 54.0 19 28 A Q H X S+ 0 0 115 -4,-2.4 4,-1.9 -5,-0.2 -2,-0.2 0.914 110.0 48.5 -62.5 -45.2 -3.7 2.5 56.9 20 29 A L H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 5,-0.2 0.923 110.4 51.0 -62.1 -44.8 -0.2 4.1 57.2 21 30 A M H X S+ 0 0 3 -4,-2.5 4,-2.5 1,-0.2 5,-0.2 0.890 109.3 50.8 -62.4 -38.5 0.1 4.7 53.5 22 31 A S H X S+ 0 0 63 -4,-2.0 4,-1.2 1,-0.2 -1,-0.2 0.897 111.7 47.5 -66.2 -40.1 -3.3 6.4 53.4 23 32 A L H X S+ 0 0 58 -4,-1.9 4,-1.4 1,-0.2 -2,-0.2 0.903 116.2 44.0 -67.3 -42.2 -2.3 8.7 56.2 24 33 A I H < S+ 0 0 0 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.902 115.0 45.5 -70.2 -42.1 1.0 9.6 54.7 25 34 A I H < S+ 0 0 34 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.707 121.7 36.9 -80.5 -18.3 -0.1 10.1 51.1 26 35 A N H < S+ 0 0 122 -4,-1.2 2,-0.3 -5,-0.2 -1,-0.2 0.644 97.7 88.8-105.7 -21.2 -3.1 12.2 52.0 27 36 A T S < S- 0 0 48 -4,-1.4 2,-0.4 -5,-0.2 -4,-0.0 -0.595 73.4-121.7 -91.2 140.4 -2.0 14.3 55.0 28 37 A F + 0 0 164 -2,-0.3 2,-0.3 2,-0.0 -2,-0.1 -0.619 35.2 169.2 -72.5 131.0 -0.3 17.7 54.9 29 38 A Y - 0 0 41 -2,-0.4 3,-0.4 105,-0.1 -5,-0.0 -0.975 29.3-148.1-135.9 150.2 3.1 17.8 56.5 30 39 A S S S+ 0 0 110 -2,-0.3 3,-0.1 1,-0.2 -2,-0.0 0.309 91.6 57.3-101.7 8.4 5.5 20.7 56.2 31 40 A N > + 0 0 55 1,-0.1 3,-1.3 2,-0.0 -1,-0.2 -0.281 58.6 140.2-131.1 47.2 8.7 18.7 56.4 32 41 A K T > + 0 0 26 -3,-0.4 3,-2.1 1,-0.3 4,-0.2 0.723 52.2 84.4 -69.7 -21.9 8.3 16.2 53.5 33 42 A E T >> + 0 0 20 1,-0.3 3,-1.3 2,-0.1 4,-0.6 0.656 69.2 83.9 -55.9 -15.6 11.9 16.4 52.4 34 43 A I H <> + 0 0 0 -3,-1.3 4,-2.0 1,-0.3 -1,-0.3 0.668 69.2 79.9 -65.3 -15.6 12.7 13.8 55.1 35 44 A F H <> S+ 0 0 0 -3,-2.1 4,-2.2 1,-0.2 -1,-0.3 0.890 89.3 53.8 -57.2 -39.2 11.7 11.0 52.6 36 45 A L H <> S+ 0 0 3 -3,-1.3 4,-2.5 1,-0.2 5,-0.3 0.907 106.0 52.0 -66.2 -39.8 15.1 11.3 50.9 37 46 A R H X S+ 0 0 56 -4,-0.6 4,-2.2 1,-0.2 -1,-0.2 0.918 110.2 49.8 -59.2 -43.6 16.9 10.8 54.2 38 47 A E H X S+ 0 0 14 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.899 112.6 45.1 -65.0 -41.4 14.9 7.7 54.9 39 48 A L H X S+ 0 0 5 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.892 113.6 48.8 -71.5 -38.9 15.5 6.1 51.4 40 49 A I H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.875 109.3 55.0 -66.1 -35.5 19.2 6.9 51.6 41 50 A S H X S+ 0 0 42 -4,-2.2 4,-1.9 -5,-0.3 -2,-0.2 0.904 107.4 49.0 -62.8 -41.6 19.3 5.4 55.0 42 51 A N H X S+ 0 0 70 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.919 110.7 50.5 -64.4 -42.1 17.8 2.2 53.6 43 52 A S H X S+ 0 0 4 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.923 108.4 52.4 -61.1 -44.1 20.4 2.1 50.9 44 53 A S H X S+ 0 0 14 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.889 110.5 47.9 -59.3 -40.7 23.2 2.6 53.4 45 54 A D H X S+ 0 0 90 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.912 111.1 50.2 -66.7 -41.8 21.8 -0.4 55.4 46 55 A A H X S+ 0 0 19 -4,-2.5 4,-1.8 1,-0.2 41,-1.3 0.855 111.4 49.5 -64.9 -34.7 21.6 -2.5 52.3 47 56 A L H X S+ 0 0 0 -4,-2.5 4,-2.1 39,-0.3 -1,-0.2 0.870 108.2 53.2 -71.2 -36.8 25.1 -1.6 51.4 48 57 A D H X S+ 0 0 63 -4,-2.2 4,-2.5 -5,-0.2 -2,-0.2 0.902 107.8 53.6 -59.9 -40.2 26.2 -2.5 55.0 49 58 A K H X S+ 0 0 120 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.921 110.1 42.5 -67.3 -46.1 24.6 -5.8 54.5 50 59 A I H X S+ 0 0 1 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.911 113.4 54.0 -67.5 -38.3 26.4 -6.8 51.3 51 60 A R H X S+ 0 0 113 -4,-2.1 4,-0.8 1,-0.2 -2,-0.2 0.927 108.8 49.0 -61.3 -45.1 29.7 -5.5 52.6 52 61 A Y H >X S+ 0 0 161 -4,-2.5 3,-1.1 1,-0.2 4,-0.7 0.926 111.4 49.1 -57.5 -47.6 29.3 -7.7 55.7 53 62 A E H >X S+ 0 0 40 -4,-2.1 4,-1.5 1,-0.3 3,-0.7 0.877 106.0 57.6 -61.9 -36.1 28.6 -10.7 53.6 54 63 A S H 3< S+ 0 0 18 -4,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.698 91.1 73.4 -69.8 -17.2 31.6 -10.0 51.4 55 64 A L H << S+ 0 0 125 -3,-1.1 -1,-0.2 -4,-0.8 -2,-0.2 0.927 112.0 24.9 -59.7 -44.9 33.8 -10.2 54.5 56 65 A T H << S+ 0 0 119 -3,-0.7 -1,-0.2 -4,-0.7 -2,-0.2 0.616 136.1 33.6 -97.3 -16.3 33.5 -13.9 54.7 57 66 A D >< - 0 0 62 -4,-1.5 3,-1.9 -5,-0.2 -1,-0.2 -0.730 59.1-178.0-143.6 90.8 32.7 -14.5 51.0 58 67 A P G > S+ 0 0 92 0, 0.0 3,-2.2 0, 0.0 -4,-0.1 0.763 78.0 74.5 -59.6 -26.5 34.4 -12.1 48.5 59 68 A S G > S+ 0 0 61 1,-0.3 3,-1.3 2,-0.2 4,-0.2 0.589 76.7 77.9 -67.8 -8.7 32.6 -13.8 45.6 60 69 A K G < S+ 0 0 63 -3,-1.9 3,-0.4 1,-0.3 -1,-0.3 0.637 90.0 56.2 -73.2 -12.1 29.4 -12.0 46.6 61 70 A L G X S+ 0 0 31 -3,-2.2 3,-2.0 1,-0.2 -1,-0.3 0.234 73.5 100.8-100.8 10.4 30.9 -8.9 45.0 62 71 A D T < S+ 0 0 132 -3,-1.3 -1,-0.2 1,-0.3 3,-0.2 0.766 79.3 59.0 -60.4 -24.6 31.3 -10.7 41.7 63 72 A S T 3 S- 0 0 36 -3,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.270 134.7 -38.4 -87.9 10.5 28.2 -8.8 40.8 64 73 A G < - 0 0 31 -3,-2.0 -1,-0.3 108,-0.1 -2,-0.1 -0.007 42.8-150.0 132.7 125.5 30.0 -5.5 41.5 65 74 A K + 0 0 163 -3,-0.2 2,-0.2 -2,-0.1 -3,-0.1 0.777 69.0 97.0 -88.4 -30.9 32.5 -4.3 44.0 66 75 A E - 0 0 142 -5,-0.1 2,-0.6 1,-0.1 0, 0.0 -0.447 56.6-161.0 -67.8 126.1 31.6 -0.6 44.1 67 76 A L + 0 0 30 -2,-0.2 2,-0.3 17,-0.1 19,-0.1 -0.926 37.4 120.8-109.1 109.8 29.3 0.2 47.1 68 77 A H - 0 0 36 -2,-0.6 17,-1.4 139,-0.2 2,-0.4 -0.953 53.2-115.9-159.7 175.5 27.5 3.5 46.5 69 78 A I E -Bc 84 209A 0 139,-2.4 141,-2.5 -2,-0.3 2,-0.4 -0.985 20.8-162.9-127.2 128.0 24.3 5.5 46.1 70 79 A N E -Bc 83 210A 27 13,-3.3 13,-3.3 -2,-0.4 2,-0.5 -0.927 4.1-159.4-111.7 137.6 23.1 7.3 43.0 71 80 A L E -Bc 82 211A 4 139,-2.7 141,-2.5 -2,-0.4 11,-0.2 -0.971 12.7-175.1-113.4 124.8 20.3 10.0 43.0 72 81 A I E -B 81 0A 36 9,-3.0 9,-2.1 -2,-0.5 2,-0.3 -0.857 6.5-168.7-130.9 96.0 18.8 10.5 39.5 73 82 A P E -B 80 0A 3 0, 0.0 141,-2.2 0, 0.0 2,-0.4 -0.654 2.8-171.5 -77.9 136.8 16.2 13.3 38.9 74 83 A N E >> -Bd 79 214A 3 5,-3.2 5,-2.2 -2,-0.3 4,-1.0 -0.869 8.2-176.0-133.8 99.9 14.3 13.1 35.6 75 84 A K T 45S+ 0 0 64 139,-0.6 -1,-0.1 -2,-0.4 140,-0.1 0.828 83.3 56.5 -68.3 -33.5 12.2 16.2 34.9 76 85 A Q T 45S+ 0 0 93 138,-0.3 -1,-0.2 1,-0.2 139,-0.1 0.874 119.6 31.9 -66.0 -36.8 10.7 14.9 31.6 77 86 A D T 45S- 0 0 109 -3,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.532 105.4-130.0 -90.3 -11.3 9.4 11.7 33.4 78 87 A R T <5 + 0 0 81 -4,-1.0 103,-2.0 1,-0.2 2,-0.4 0.908 62.3 136.0 53.5 46.2 8.9 13.7 36.7 79 88 A T E < -BE 74 180A 8 -5,-2.2 -5,-3.2 101,-0.2 2,-0.5 -0.944 45.5-161.3-122.3 145.7 10.8 11.0 38.6 80 89 A L E -BE 73 179A 1 99,-1.9 99,-3.2 -2,-0.4 2,-0.4 -0.996 19.0-164.7-116.3 125.3 13.4 10.9 41.2 81 90 A T E -BE 72 178A 15 -9,-2.1 -9,-3.0 -2,-0.5 2,-0.6 -0.924 12.0-161.1-114.1 131.6 15.3 7.6 41.5 82 91 A I E -BE 71 177A 0 95,-2.4 95,-2.8 -2,-0.4 2,-0.4 -0.956 19.2-174.4-107.3 116.6 17.5 6.5 44.4 83 92 A V E +BE 70 176A 20 -13,-3.3 -13,-3.3 -2,-0.6 2,-0.3 -0.921 6.4 176.4-115.5 135.8 19.8 3.7 43.3 84 93 A D E -BE 69 175A 7 91,-2.7 91,-1.1 -2,-0.4 -15,-0.2 -0.940 34.4-138.6-130.4 160.9 22.2 1.6 45.4 85 94 A T + 0 0 29 -17,-1.4 89,-0.2 -2,-0.3 -16,-0.1 -0.164 63.6 130.8-101.7 37.0 24.5 -1.4 44.8 86 95 A G S S- 0 0 0 89,-0.2 -39,-0.3 -18,-0.1 -40,-0.1 0.207 77.8 -66.7 -77.2-159.2 23.4 -2.9 48.1 87 96 A I - 0 0 20 -41,-1.3 59,-0.5 -44,-0.2 87,-0.2 0.766 67.0-154.0 -69.8 -25.6 22.3 -6.5 48.9 88 97 A G - 0 0 4 57,-0.2 2,-0.4 85,-0.1 57,-0.2 -0.116 15.4 -88.9 75.6 178.3 19.1 -6.3 46.9 89 98 A M - 0 0 32 85,-0.4 56,-0.5 62,-0.1 62,-0.2 -0.974 20.6-131.8-131.4 143.6 15.9 -8.4 47.6 90 99 A T > - 0 0 35 -2,-0.4 4,-2.2 54,-0.1 5,-0.1 -0.400 42.0-100.4 -77.2 167.4 14.6 -11.8 46.5 91 100 A K H > S+ 0 0 60 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.925 127.5 51.0 -56.8 -44.9 11.0 -11.9 45.2 92 101 A A H > S+ 0 0 50 1,-0.2 4,-3.2 2,-0.2 5,-0.3 0.889 106.3 55.8 -59.9 -39.9 10.0 -13.3 48.6 93 102 A D H > S+ 0 0 52 2,-0.2 4,-3.0 3,-0.2 5,-0.4 0.923 108.4 47.9 -56.9 -46.8 11.8 -10.3 50.3 94 103 A L H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.978 116.3 41.8 -57.2 -57.4 9.8 -7.9 48.2 95 104 A I H <>S+ 0 0 25 -4,-2.4 5,-1.7 1,-0.2 6,-0.3 0.906 122.3 40.0 -60.7 -44.6 6.4 -9.5 48.9 96 105 A N H ><>S+ 0 0 64 -4,-3.2 5,-1.0 -5,-0.2 3,-0.5 0.909 124.1 35.6 -71.6 -43.6 7.2 -10.1 52.6 97 106 A N H 3<5S+ 0 0 106 -4,-3.0 -2,-0.2 -5,-0.3 -3,-0.2 0.648 114.7 53.9 -92.3 -16.9 8.9 -6.8 53.4 98 107 A L T 3<5S- 0 0 15 -4,-2.5 -1,-0.2 -5,-0.4 -2,-0.1 -0.161 128.8 -36.6-115.3 39.4 7.0 -4.4 51.2 99 108 A G T < 5S+ 0 0 0 -3,-0.5 -85,-3.5 2,-0.3 -82,-0.2 0.163 112.7 74.6 149.9 -27.9 3.4 -5.0 52.2 100 109 A T T > - 0 0 98 -2,-0.4 3,-1.3 -6,-0.1 4,-0.6 -0.546 35.4-105.7 -83.0 165.5 5.9 -5.5 61.7 104 113 A S H 3> S+ 0 0 101 1,-0.2 4,-2.4 -2,-0.2 3,-0.3 0.746 115.4 72.4 -63.4 -21.6 4.7 -4.1 65.1 105 114 A G H 3> S+ 0 0 4 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.718 83.8 65.5 -70.8 -21.2 6.3 -0.7 64.1 106 115 A T H <> S+ 0 0 3 -3,-1.3 4,-1.2 2,-0.2 -1,-0.2 0.938 113.3 32.0 -65.5 -46.5 3.6 -0.0 61.5 107 116 A K H X S+ 0 0 109 -4,-0.6 4,-2.5 -3,-0.3 -2,-0.2 0.851 117.0 58.4 -77.1 -36.6 0.9 0.2 64.1 108 117 A A H X S+ 0 0 27 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.927 105.2 50.0 -58.5 -45.9 3.4 1.6 66.7 109 118 A F H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.912 110.6 47.7 -62.9 -44.3 4.2 4.6 64.4 110 119 A M H X S+ 0 0 20 -4,-1.2 4,-1.8 1,-0.2 -1,-0.2 0.892 112.7 50.9 -64.5 -37.6 0.6 5.5 63.8 111 120 A E H X S+ 0 0 116 -4,-2.5 4,-1.8 2,-0.2 -2,-0.2 0.923 109.5 50.6 -58.1 -46.6 0.1 5.2 67.6 112 121 A A H <>S+ 0 0 20 -4,-2.8 5,-2.9 1,-0.2 -2,-0.2 0.887 107.4 52.6 -62.4 -40.7 3.0 7.5 68.2 113 122 A L H ><5S+ 0 0 31 -4,-2.4 3,-1.1 1,-0.2 -1,-0.2 0.885 108.9 50.5 -63.1 -39.2 1.7 10.1 65.7 114 123 A Q H 3<5S+ 0 0 172 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.848 106.9 55.3 -63.6 -34.9 -1.6 10.0 67.6 115 124 A A T 3<5S- 0 0 91 -4,-1.8 -1,-0.2 -5,-0.1 -2,-0.2 0.391 133.5 -90.2 -83.1 3.6 0.4 10.5 70.8 116 125 A G T < 5S+ 0 0 65 -3,-1.1 -3,-0.2 1,-0.2 -2,-0.1 0.510 76.3 147.0 107.3 6.3 2.0 13.6 69.3 117 126 A A < - 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