==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CHAPERONE/CHAPERONE INHIBITOR 18-APR-11 3RKZ . COMPND 2 MOLECULE: HEAT SHOCK PROTEIN HSP 90-ALPHA; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.W.ZAPF,J.D.BLOOM,Z.LI,R.G.DUSHIN,T.NITTOLI,M.OTTENG,A.NIKI . 208 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10637.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 157 75.5 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 19.2 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 . 14 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 15.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 60 28.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 2.4 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 1 0 0 0 0 0 1 1 0 0 0 0 0 1 0 0 0 0 1 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 17 A V 0 0 114 0, 0.0 2,-0.4 0, 0.0 156,-0.2 0.000 360.0 360.0 360.0 122.4 8.3 27.4 34.9 2 18 A E E -A 156 0A 95 154,-2.4 154,-2.1 2,-0.0 2,-0.4 -0.855 360.0-151.9-102.9 137.3 11.1 24.8 34.6 3 19 A T E -A 155 0A 98 -2,-0.4 2,-0.3 152,-0.2 152,-0.2 -0.919 15.7-176.3-112.0 133.8 13.2 24.5 31.5 4 20 A F E -A 154 0A 50 150,-3.0 150,-2.1 -2,-0.4 2,-0.4 -0.908 24.9-122.1-128.7 149.8 14.8 21.2 30.4 5 21 A A E -A 153 0A 82 -2,-0.3 148,-0.2 148,-0.2 2,-0.1 -0.753 33.2-119.8 -86.9 136.2 17.2 20.0 27.7 6 22 A F - 0 0 18 146,-2.0 -1,-0.0 -2,-0.4 5,-0.0 -0.443 39.2 -89.5 -63.3 148.5 15.9 17.3 25.5 7 23 A Q >> - 0 0 68 1,-0.1 4,-2.2 -2,-0.1 3,-0.6 -0.318 44.5-114.1 -47.9 142.0 17.8 14.0 25.4 8 24 A A H 3> S+ 0 0 61 1,-0.3 4,-2.1 2,-0.2 5,-0.1 0.864 115.4 53.5 -56.5 -39.9 20.4 14.5 22.6 9 25 A E H 3> S+ 0 0 55 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.852 109.1 49.5 -65.6 -35.4 18.8 11.8 20.4 10 26 A I H <> S+ 0 0 2 -3,-0.6 4,-2.6 2,-0.2 -2,-0.2 0.895 108.2 51.5 -75.0 -38.1 15.4 13.6 20.6 11 27 A A H X S+ 0 0 28 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.916 110.6 51.0 -60.1 -40.7 16.8 17.0 19.8 12 28 A Q H X S+ 0 0 107 -4,-2.1 4,-2.3 -5,-0.2 -2,-0.2 0.921 110.6 48.1 -61.2 -45.6 18.4 15.3 16.7 13 29 A L H X S+ 0 0 0 -4,-2.1 4,-2.6 1,-0.2 5,-0.2 0.923 109.5 52.4 -61.1 -45.4 15.1 13.8 15.7 14 30 A M H X S+ 0 0 2 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.914 109.9 48.7 -60.3 -42.4 13.3 17.1 16.1 15 31 A S H X S+ 0 0 64 -4,-2.2 4,-2.7 2,-0.2 5,-0.3 0.901 110.8 51.1 -63.8 -39.7 15.8 18.8 13.8 16 32 A L H X S+ 0 0 41 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.913 111.1 48.1 -62.2 -43.0 15.5 16.0 11.2 17 33 A I H < S+ 0 0 1 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.895 116.9 42.7 -65.4 -39.6 11.7 16.4 11.3 18 34 A I H < S+ 0 0 64 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.862 122.4 37.1 -74.1 -35.9 11.9 20.2 10.9 19 35 A N H < S+ 0 0 123 -4,-2.7 2,-0.2 -5,-0.2 -2,-0.2 0.756 90.5 96.7 -94.7 -27.9 14.7 20.2 8.3 20 36 A T S < S- 0 0 62 -4,-2.3 2,-0.6 -5,-0.3 -4,-0.0 -0.445 76.3-121.7 -69.5 131.6 14.0 17.3 6.0 21 37 A F + 0 0 181 -2,-0.2 2,-0.3 2,-0.0 -1,-0.1 -0.625 52.3 147.6 -71.6 119.7 12.1 18.0 2.8 22 38 A Y - 0 0 38 -2,-0.6 3,-0.1 -5,-0.1 -2,-0.0 -0.818 30.6-168.3-160.9 107.9 9.0 15.7 3.1 23 39 A S S S+ 0 0 92 -2,-0.3 2,-2.2 1,-0.2 3,-0.3 0.742 71.2 83.5 -78.3 -23.7 5.6 16.7 1.6 24 40 A N > + 0 0 60 1,-0.2 3,-0.9 2,-0.1 -1,-0.2 -0.358 48.9 144.4 -80.8 57.1 3.4 14.1 3.2 25 41 A K T > + 0 0 37 -2,-2.2 3,-2.2 1,-0.2 -1,-0.2 0.681 46.4 86.4 -70.4 -21.6 3.0 16.0 6.4 26 42 A E T >> + 0 0 15 1,-0.3 3,-1.6 -3,-0.3 4,-0.6 0.679 68.5 80.3 -57.9 -21.8 -0.7 14.9 7.0 27 43 A I H <> S+ 0 0 1 -3,-0.9 4,-1.7 1,-0.3 -1,-0.3 0.695 71.7 81.2 -61.7 -14.6 0.5 11.8 8.8 28 44 A F H <> S+ 0 0 1 -3,-2.2 4,-1.9 1,-0.2 -1,-0.3 0.892 87.3 55.7 -56.6 -35.6 1.0 13.9 11.9 29 45 A L H <> S+ 0 0 2 -3,-1.6 4,-2.6 1,-0.2 5,-0.2 0.932 104.0 51.5 -69.1 -44.0 -2.7 13.6 12.7 30 46 A R H X S+ 0 0 61 -4,-0.6 4,-2.3 1,-0.2 -1,-0.2 0.899 109.3 52.1 -55.5 -40.1 -2.8 9.8 12.7 31 47 A E H X S+ 0 0 15 -4,-1.7 4,-1.9 2,-0.2 -1,-0.2 0.897 111.0 45.5 -68.5 -37.9 0.1 9.8 15.1 32 48 A L H X S+ 0 0 4 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.932 113.2 49.8 -70.1 -41.7 -1.5 12.1 17.6 33 49 A I H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.883 109.0 54.2 -61.8 -37.7 -4.8 10.2 17.3 34 50 A S H X S+ 0 0 44 -4,-2.3 4,-2.7 -5,-0.2 5,-0.2 0.924 106.9 49.7 -64.0 -44.2 -2.9 7.0 17.9 35 51 A N H X S+ 0 0 69 -4,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.919 112.3 48.8 -59.7 -43.5 -1.4 8.3 21.1 36 52 A S H X S+ 0 0 4 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.927 111.0 49.3 -62.1 -43.9 -4.8 9.3 22.3 37 53 A S H X S+ 0 0 13 -4,-2.7 4,-2.8 2,-0.2 -2,-0.2 0.917 111.2 49.2 -60.5 -44.8 -6.3 5.9 21.4 38 54 A D H X S+ 0 0 73 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.906 110.7 51.1 -62.5 -39.1 -3.5 4.2 23.3 39 55 A A H X S+ 0 0 14 -4,-2.3 4,-1.8 -5,-0.2 41,-1.4 0.863 111.1 48.2 -65.6 -35.4 -4.1 6.5 26.3 40 56 A L H X S+ 0 0 0 -4,-2.1 4,-2.4 39,-0.3 5,-0.2 0.919 108.5 54.0 -72.2 -41.5 -7.8 5.7 26.2 41 57 A D H X S+ 0 0 59 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.899 108.3 52.1 -54.2 -42.1 -7.0 1.9 26.0 42 58 A K H X S+ 0 0 117 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.907 110.7 43.4 -68.5 -43.8 -4.9 2.3 29.1 43 59 A I H X S+ 0 0 0 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.879 112.9 54.2 -69.8 -33.9 -7.5 4.0 31.3 44 60 A R H X S+ 0 0 121 -4,-2.4 4,-0.7 2,-0.2 -2,-0.2 0.942 112.1 44.6 -63.4 -45.2 -10.1 1.6 30.1 45 61 A Y H >X S+ 0 0 172 -4,-2.3 3,-1.1 -5,-0.2 4,-0.8 0.938 113.9 47.7 -63.3 -48.9 -7.9 -1.3 31.1 46 62 A E H >X S+ 0 0 62 -4,-2.5 4,-1.9 1,-0.3 3,-0.5 0.869 106.2 59.6 -63.0 -33.1 -7.0 0.1 34.5 47 63 A S H 3< S+ 0 0 17 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.666 93.4 65.9 -73.5 -17.4 -10.6 1.0 35.2 48 64 A L H << S+ 0 0 142 -3,-1.1 -1,-0.2 -4,-0.7 -2,-0.2 0.912 111.2 34.5 -66.4 -43.8 -11.6 -2.7 35.0 49 65 A T H << S+ 0 0 124 -4,-0.8 -2,-0.2 -3,-0.5 -1,-0.2 0.819 135.7 26.6 -75.1 -34.6 -9.5 -3.5 38.0 50 66 A D >< - 0 0 60 -4,-1.9 3,-2.2 -5,-0.2 -1,-0.2 -0.772 62.9-175.4-137.4 88.9 -10.3 -0.2 39.7 51 67 A P G > S+ 0 0 86 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 0.704 78.9 73.7 -57.8 -23.3 -13.6 1.5 38.7 52 68 A S G > S+ 0 0 59 1,-0.3 3,-2.0 2,-0.2 4,-0.3 0.665 76.0 79.6 -68.7 -15.2 -12.8 4.6 40.8 53 69 A K G < S+ 0 0 53 -3,-2.2 3,-0.3 1,-0.3 -1,-0.3 0.654 88.9 56.5 -67.2 -11.4 -10.2 5.6 38.2 54 70 A L G X S+ 0 0 26 -3,-1.7 3,-2.1 1,-0.2 -1,-0.3 0.331 74.4 97.2 -99.3 5.9 -13.2 6.9 36.1 55 71 A D T < S+ 0 0 132 -3,-2.0 -1,-0.2 1,-0.3 3,-0.2 0.808 81.3 59.0 -58.7 -28.3 -14.3 9.2 39.0 56 72 A S T 3 S- 0 0 35 -3,-0.3 -1,-0.3 -4,-0.3 -2,-0.1 0.294 134.0 -34.4 -84.1 6.8 -12.4 11.8 37.0 57 73 A G < - 0 0 29 -3,-2.1 -1,-0.3 108,-0.1 -2,-0.1 -0.112 42.8-153.9 140.0 126.9 -14.6 11.2 33.9 58 74 A K + 0 0 150 -3,-0.2 2,-0.3 -2,-0.1 -3,-0.1 0.701 68.1 99.8 -91.1 -24.2 -16.4 8.2 32.4 59 75 A E - 0 0 139 -5,-0.1 2,-0.6 1,-0.1 0, 0.0 -0.514 54.9-163.3 -69.8 127.1 -16.5 9.5 28.8 60 76 A L + 0 0 35 -2,-0.3 2,-0.3 17,-0.1 19,-0.1 -0.926 37.7 120.9-113.8 102.9 -13.7 8.0 26.6 61 77 A H - 0 0 31 -2,-0.6 17,-1.4 139,-0.2 2,-0.4 -0.947 52.5-124.3-156.5 171.9 -13.4 10.1 23.5 62 78 A I E -Bc 77 202A 0 139,-2.7 141,-2.5 -2,-0.3 2,-0.4 -0.995 19.5-165.0-128.9 129.4 -11.2 12.2 21.2 63 79 A N E -Bc 76 203A 27 13,-2.9 13,-2.9 -2,-0.4 2,-0.5 -0.954 7.0-157.3-115.3 138.2 -12.0 15.8 20.1 64 80 A L E -Bc 75 204A 0 139,-2.9 141,-2.9 -2,-0.4 11,-0.2 -0.966 16.1-175.0-112.9 119.8 -10.4 17.6 17.2 65 81 A I E -B 74 0A 51 9,-3.0 9,-2.2 -2,-0.5 2,-0.2 -0.889 6.7-168.9-126.6 102.0 -10.7 21.4 17.6 66 82 A P E -B 73 0A 9 0, 0.0 2,-0.3 0, 0.0 7,-0.2 -0.635 1.8-172.9 -84.1 145.8 -9.5 23.8 15.0 67 83 A N E >> -B 72 0A 50 5,-2.4 5,-1.9 -2,-0.2 4,-1.1 -0.856 9.1-173.9-140.4 102.6 -9.3 27.5 15.8 68 84 A K T 45S+ 0 0 120 -2,-0.3 -1,-0.1 1,-0.2 5,-0.0 0.826 83.6 59.2 -69.2 -30.4 -8.5 29.8 12.9 69 85 A Q T 45S+ 0 0 95 1,-0.2 -1,-0.2 2,-0.1 -2,-0.0 0.911 118.1 31.2 -62.5 -41.4 -8.2 32.9 15.1 70 86 A D T 45S- 0 0 107 -3,-0.2 -1,-0.2 2,-0.1 -2,-0.2 0.528 104.9-128.1 -91.4 -9.5 -5.4 31.4 17.2 71 87 A R T <5 + 0 0 86 -4,-1.1 103,-1.9 1,-0.2 2,-0.4 0.917 63.8 135.2 57.4 45.2 -4.0 29.3 14.3 72 88 A T E < -BD 67 173A 11 -5,-1.9 -5,-2.4 101,-0.2 2,-0.5 -0.941 46.4-161.1-123.6 145.3 -4.2 26.2 16.5 73 89 A L E -BD 66 172A 1 99,-1.9 99,-2.9 -2,-0.4 2,-0.5 -0.996 19.9-163.6-119.6 122.5 -5.4 22.6 16.0 74 90 A T E -BD 65 171A 19 -9,-2.2 -9,-3.0 -2,-0.5 2,-0.6 -0.909 11.6-160.2-110.3 132.1 -6.0 20.8 19.4 75 91 A I E -BD 64 170A 0 95,-2.6 95,-2.8 -2,-0.5 2,-0.4 -0.952 18.5-172.5-108.7 116.7 -6.3 17.1 19.9 76 92 A V E +BD 63 169A 20 -13,-2.9 -13,-2.9 -2,-0.6 2,-0.3 -0.917 7.8 172.0-114.6 134.0 -8.1 16.4 23.1 77 93 A D E -BD 62 168A 6 91,-2.7 91,-1.4 -2,-0.4 -15,-0.2 -0.950 35.2-140.3-135.3 160.2 -8.6 13.0 24.8 78 94 A T + 0 0 24 -17,-1.4 89,-0.2 -2,-0.3 -16,-0.1 -0.199 61.4 131.3-107.2 37.9 -10.0 11.7 28.0 79 95 A G S S- 0 0 0 89,-0.2 -39,-0.3 -18,-0.1 -40,-0.1 0.150 77.7 -68.1 -75.4-161.6 -7.3 9.0 28.3 80 96 A I - 0 0 15 -41,-1.4 59,-0.5 -44,-0.2 87,-0.2 0.745 68.0-151.6 -67.6 -24.3 -5.0 8.1 31.1 81 97 A G - 0 0 5 57,-0.2 2,-0.4 85,-0.2 57,-0.2 -0.110 16.0 -85.2 73.0 179.4 -3.0 11.3 31.0 82 98 A M - 0 0 40 85,-0.4 56,-0.4 62,-0.1 62,-0.2 -0.981 26.3-133.7-131.6 140.1 0.6 11.7 32.1 83 99 A T > - 0 0 28 -2,-0.4 4,-2.2 54,-0.1 5,-0.2 -0.322 36.2-102.6 -79.5 167.3 2.4 12.4 35.3 84 100 A K H > S+ 0 0 70 1,-0.2 4,-2.4 2,-0.2 5,-0.3 0.906 124.2 52.6 -55.9 -41.4 5.1 15.0 35.8 85 101 A A H >>S+ 0 0 50 1,-0.2 5,-2.7 2,-0.2 4,-2.2 0.893 107.9 51.7 -65.7 -37.8 7.7 12.2 35.7 86 102 A D H 4>S+ 0 0 43 3,-0.2 5,-1.6 4,-0.2 6,-0.5 0.920 113.0 45.4 -59.8 -47.9 6.3 10.9 32.5 87 103 A L H <5S+ 0 0 18 -4,-2.2 -2,-0.2 1,-0.1 -1,-0.2 0.882 121.5 34.3 -65.2 -44.7 6.4 14.4 30.9 88 104 A I H <5S- 0 0 36 -4,-2.4 -2,-0.2 -5,-0.2 -3,-0.2 0.935 137.5 -12.1 -78.7 -48.4 9.9 15.3 32.0 89 105 A N T X5S+ 0 0 85 -4,-2.2 4,-2.2 -5,-0.3 -3,-0.2 0.797 113.0 63.0-124.9 -47.7 11.8 12.1 32.0 90 106 A N H > S+ 0 0 15 -6,-0.5 4,-0.6 2,-0.2 -1,-0.2 0.852 108.9 53.2 -66.8 -36.0 11.6 10.5 26.6 93 109 A T H >< S+ 0 0 57 -4,-2.2 3,-1.0 1,-0.2 4,-0.5 0.942 112.1 44.3 -62.2 -49.2 14.0 8.0 28.2 94 110 A I H >X S+ 0 0 123 -4,-2.1 3,-0.8 1,-0.2 4,-0.7 0.897 109.7 57.8 -60.6 -39.0 12.0 5.1 26.7 95 111 A A H 3X S+ 0 0 13 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.592 85.4 83.6 -72.3 -10.2 11.8 7.0 23.4 96 112 A K H S+ 0 0 91 -3,-0.8 4,-2.4 -4,-0.5 -1,-0.2 0.920 114.3 49.2 -66.5 -43.5 16.1 3.8 21.6 98 114 A G H X S+ 0 0 11 -4,-0.7 4,-2.1 1,-0.2 -1,-0.2 0.874 109.6 53.5 -62.0 -37.6 13.2 4.2 19.1 99 115 A T H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.927 109.2 47.6 -63.6 -45.8 14.6 7.5 18.1 100 116 A K H X S+ 0 0 118 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.920 113.0 47.9 -62.7 -44.2 17.9 6.0 17.3 101 117 A A H X S+ 0 0 36 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.846 110.9 51.9 -65.0 -36.7 16.4 3.1 15.3 102 118 A F H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 5,-0.2 0.954 109.7 47.5 -65.2 -50.3 14.2 5.5 13.3 103 119 A M H X S+ 0 0 36 -4,-2.3 4,-1.5 1,-0.2 -2,-0.2 0.889 113.2 50.0 -62.0 -34.6 17.0 7.7 12.3 104 120 A E H X S+ 0 0 104 -4,-2.0 4,-1.0 -5,-0.2 -1,-0.2 0.916 110.0 50.8 -66.1 -41.4 19.0 4.6 11.4 105 121 A A H <>S+ 0 0 24 -4,-2.5 5,-2.6 1,-0.2 3,-0.2 0.855 106.9 53.5 -65.1 -36.3 16.1 3.3 9.3 106 122 A L H ><5S+ 0 0 35 -4,-2.4 3,-1.3 1,-0.2 -1,-0.2 0.865 104.9 54.7 -64.7 -38.0 15.7 6.6 7.5 107 123 A Q H 3<5S+ 0 0 94 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.786 107.6 52.2 -64.6 -26.1 19.5 6.4 6.5 108 124 A A T 3<5S- 0 0 90 -4,-1.0 -1,-0.3 -3,-0.2 -2,-0.2 0.314 134.4 -84.4 -94.4 4.0 18.7 3.0 5.1 109 125 A G T < 5S+ 0 0 67 -3,-1.3 -3,-0.2 1,-0.3 -2,-0.1 0.454 82.1 134.8 111.4 0.5 15.8 4.2 2.9 110 126 A A < - 0 0 28 -5,-2.6 2,-0.3 -8,-0.1 -1,-0.3 -0.256 48.2-125.0 -67.6 169.1 12.7 4.3 5.2 111 127 A D > - 0 0 61 1,-0.1 3,-2.2 -89,-0.0 4,-0.1 -0.810 19.2-106.4-121.2 165.3 10.5 7.3 5.1 112 128 A I G > S+ 0 0 6 -2,-0.3 3,-1.8 1,-0.3 -1,-0.1 0.753 110.9 71.0 -59.9 -25.7 9.2 9.7 7.7 113 129 A S G > S+ 0 0 25 1,-0.3 3,-0.5 2,-0.1 -1,-0.3 0.707 88.5 65.4 -64.8 -15.3 5.6 8.3 7.6 114 130 A M G X + 0 0 61 -3,-2.2 3,-1.9 1,-0.2 4,-0.3 0.429 68.9 108.6 -85.8 3.9 7.0 5.1 9.3 115 131 A I G X > + 0 0 0 -3,-1.8 3,-1.8 1,-0.3 5,-1.1 0.783 66.6 63.7 -52.3 -34.5 7.8 7.2 12.5 116 132 A G G X 5S+ 0 0 30 -3,-0.5 3,-1.4 1,-0.3 -1,-0.3 0.754 89.3 67.3 -67.8 -23.9 5.0 5.6 14.5 117 133 A Q G < 5S+ 0 0 152 -3,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.659 99.9 52.3 -68.4 -13.1 6.6 2.2 14.3 118 134 A F G < 5S- 0 0 48 -3,-1.8 -1,-0.3 -4,-0.3 -2,-0.2 0.320 114.0-115.2-106.9 5.0 9.4 3.5 16.5 119 135 A G T < 5S+ 0 0 65 -3,-1.4 3,-0.2 -4,-0.1 -3,-0.2 0.572 93.9 98.4 76.4 11.3 7.2 4.9 19.2 120 136 A V > < + 0 0 2 -5,-1.1 3,-1.6 -22,-0.1 4,-0.3 0.062 34.8 124.5-118.6 22.3 8.1 8.5 18.6 121 137 A G G > + 0 0 2 1,-0.3 3,-1.7 -6,-0.2 4,-0.3 0.737 60.1 74.8 -54.2 -28.2 5.2 9.5 16.5 122 138 A F G > S+ 0 0 36 1,-0.3 3,-2.0 -3,-0.2 -1,-0.3 0.893 87.9 61.3 -50.9 -40.2 4.4 12.4 18.8 123 139 A Y G X S+ 0 0 26 -3,-1.6 3,-1.8 1,-0.3 -1,-0.3 0.633 81.0 81.3 -71.7 -11.6 7.3 14.3 17.4 124 140 A S G X S+ 0 0 1 -3,-1.7 3,-2.2 -4,-0.3 4,-0.4 0.689 71.3 82.6 -62.7 -16.5 5.7 14.3 13.9 125 141 A A G X> S+ 0 0 0 -3,-2.0 4,-2.1 -4,-0.3 3,-1.6 0.834 78.9 67.0 -54.5 -31.2 3.7 17.2 15.3 126 142 A Y G <4 S+ 0 0 2 -3,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.523 81.3 76.3 -74.0 -2.2 6.8 19.3 14.3 127 143 A L G <4 S+ 0 0 1 -3,-2.2 -1,-0.3 -102,-0.1 -2,-0.2 0.806 119.1 11.0 -67.4 -30.8 6.0 18.6 10.7 128 144 A V T <4 S+ 0 0 0 -3,-1.6 47,-2.8 -4,-0.4 2,-0.4 0.583 117.0 75.9-125.5 -17.9 3.2 21.2 10.9 129 145 A A E < -E 174 0A 1 -4,-2.1 45,-0.3 45,-0.3 3,-0.1 -0.859 47.4-165.2-108.5 136.6 3.6 23.0 14.2 130 146 A E E S+ 0 0 104 43,-2.6 2,-0.3 -2,-0.4 44,-0.2 0.751 89.5 17.1 -81.1 -26.3 6.1 25.7 15.2 131 147 A K E -E 173 0A 65 42,-1.1 42,-2.8 -6,-0.1 2,-0.4 -0.993 68.6-160.0-145.8 139.8 5.2 25.2 18.9 132 148 A V E -EF 172 148A 0 16,-2.1 16,-2.0 -2,-0.3 2,-0.4 -0.993 3.8-167.3-125.0 132.5 3.4 22.3 20.6 133 149 A T E -EF 171 147A 10 38,-2.3 38,-3.4 -2,-0.4 2,-0.6 -0.975 3.1-163.7-117.8 130.9 1.8 22.6 24.0 134 150 A V E -EF 170 146A 6 12,-2.9 12,-3.1 -2,-0.4 2,-0.5 -0.963 3.8-172.2-118.8 112.5 0.7 19.4 25.9 135 151 A I E +EF 169 145A 10 34,-2.8 34,-3.0 -2,-0.6 2,-0.4 -0.902 18.8 172.9-102.3 128.4 -1.7 19.9 28.8 136 152 A T E -EF 168 144A 0 8,-2.5 8,-2.4 -2,-0.5 2,-0.4 -0.994 25.0-169.2-147.1 146.1 -2.2 16.7 30.8 137 153 A K E -E 167 0A 44 30,-2.6 30,-2.7 -2,-0.4 2,-0.3 -0.960 7.5-174.1-138.1 115.0 -3.9 15.4 33.9 138 154 A H > - 0 0 21 4,-0.5 3,-2.0 -56,-0.4 -57,-0.2 -0.835 36.0-117.6-102.2 145.4 -3.3 11.9 35.3 139 155 A N T 3 S+ 0 0 48 -59,-0.5 -1,-0.1 -2,-0.3 -58,-0.1 0.813 113.6 51.8 -48.1 -37.1 -5.3 10.6 38.3 140 156 A D T 3 S+ 0 0 130 2,-0.1 -1,-0.3 -3,-0.0 2,-0.2 0.360 115.8 30.4 -86.6 10.1 -2.2 10.3 40.5 141 157 A D S < S- 0 0 46 -3,-2.0 2,-0.1 -58,-0.0 -58,-0.0 -0.842 83.3 -82.2-156.7-179.6 -0.9 13.9 39.8 142 158 A E - 0 0 114 -2,-0.2 -4,-0.5 -5,-0.1 2,-0.4 -0.356 54.6 -85.1 -91.7 174.1 -1.7 17.6 39.1 143 159 A Q - 0 0 19 16,-0.2 16,-2.7 -6,-0.2 2,-0.3 -0.700 51.9-172.5 -83.7 128.6 -2.4 19.2 35.8 144 160 A Y E -FG 136 158A 14 -8,-2.4 -8,-2.5 -2,-0.4 2,-0.5 -0.879 20.8-144.3-123.8 152.0 0.7 20.2 33.9 145 161 A A E -FG 135 157A 9 12,-2.7 12,-1.7 -2,-0.3 2,-0.3 -0.983 15.4-171.4-114.6 119.7 1.6 22.1 30.7 146 162 A W E +FG 134 156A 12 -12,-3.1 -12,-2.9 -2,-0.5 2,-0.3 -0.831 12.9 178.2-102.7 145.4 4.6 20.9 28.7 147 163 A E E +FG 133 155A 50 8,-2.2 8,-2.6 -2,-0.3 2,-0.3 -0.991 11.4 168.5-152.9 139.8 5.7 23.1 25.8 148 164 A S E -F 132 0A 4 -16,-2.0 -16,-2.1 -2,-0.3 6,-0.1 -0.942 26.2-175.0-152.8 138.4 8.4 23.2 23.1 149 165 A S - 0 0 71 1,-0.5 2,-0.1 4,-0.3 5,-0.1 -0.075 59.3-116.1-105.9 25.3 9.3 25.2 20.0 150 166 A A S > S+ 0 0 14 3,-0.3 3,-1.0 1,-0.1 -1,-0.5 -0.443 73.6 129.2 70.1-147.1 12.2 22.8 19.5 151 167 A G T 3 S- 0 0 84 1,-0.2 -1,-0.1 -140,-0.1 3,-0.1 0.644 101.5 -67.8 69.6 11.2 15.6 24.4 19.6 152 168 A G T 3 S+ 0 0 29 1,-0.2 -146,-2.0 -141,-0.1 2,-0.3 0.422 111.4 83.1 92.2 1.9 16.7 21.7 22.1 153 169 A S E < -A 5 0A 51 -3,-1.0 -3,-0.3 -148,-0.2 -4,-0.3 -0.941 46.4-171.9-136.9 157.6 14.6 22.6 25.1 154 170 A F E -A 4 0A 12 -150,-2.1 -150,-3.0 -2,-0.3 2,-0.3 -0.937 15.2-140.0-137.3 161.8 11.1 22.2 26.6 155 171 A T E -AG 3 147A 24 -8,-2.6 -8,-2.2 -2,-0.3 2,-0.4 -0.912 8.8-166.4-122.6 151.2 9.3 23.7 29.6 156 172 A V E +AG 2 146A 2 -154,-2.1 -154,-2.4 -2,-0.3 2,-0.3 -0.996 16.6 159.7-132.3 137.4 7.0 22.2 32.2 157 173 A R E - G 0 145A 97 -12,-1.7 -12,-2.7 -2,-0.4 2,-0.2 -0.965 48.2 -92.2-145.5 157.0 4.8 24.2 34.6 158 174 A T E - G 0 144A 71 -2,-0.3 2,-0.5 -14,-0.2 -14,-0.3 -0.546 48.7-122.6 -65.7 140.2 1.7 23.5 36.7 159 175 A D - 0 0 40 -16,-2.7 -16,-0.2 -2,-0.2 -1,-0.1 -0.796 29.1-178.7 -96.7 128.9 -1.3 24.5 34.6 160 176 A T + 0 0 144 -2,-0.5 -1,-0.1 3,-0.0 -16,-0.0 0.333 53.7 103.3-104.9 2.0 -3.7 27.0 36.1 161 177 A G S S- 0 0 36 1,-0.2 -18,-0.1 -18,-0.0 3,-0.1 0.077 90.4 -38.5 -68.3-170.8 -6.0 26.9 33.1 162 178 A E S S- 0 0 77 1,-0.1 -1,-0.2 2,-0.1 2,-0.1 -0.302 70.5-111.8 -57.9 127.1 -9.4 25.2 33.0 163 179 A P - 0 0 119 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.393 24.5-160.2 -56.8 137.3 -9.2 21.8 34.9 164 180 A M - 0 0 42 1,-0.1 2,-1.6 3,-0.1 -27,-0.1 0.571 18.4-139.5 -98.7 -18.8 -9.5 18.8 32.5 165 181 A G S S- 0 0 35 2,-0.1 2,-0.3 -27,-0.1 -108,-0.1 -0.501 74.3 -18.1 90.7 -66.9 -10.6 16.1 34.9 166 182 A R S S+ 0 0 5 -2,-1.6 2,-0.3 -89,-0.1 -28,-0.2 -0.880 101.8 47.7-168.9 138.6 -8.4 13.5 33.2 167 183 A G E - E 0 137A 0 -30,-2.7 -30,-2.6 -2,-0.3 -85,-0.4 -0.860 69.8 -69.4 131.1-159.1 -6.6 13.2 29.9 168 184 A T E -DE 77 136A 9 -91,-1.4 -91,-2.7 -2,-0.3 2,-0.5 -0.995 20.9-163.0-143.4 140.1 -4.4 15.1 27.5 169 185 A K E -DE 76 135A 62 -34,-3.0 -34,-2.8 -2,-0.3 2,-0.6 -0.997 8.1-163.2-121.4 124.5 -4.7 18.1 25.1 170 186 A V E -DE 75 134A 13 -95,-2.8 -95,-2.6 -2,-0.5 2,-0.7 -0.946 8.3-162.9-108.1 113.6 -2.1 18.5 22.4 171 187 A I E -DE 74 133A 32 -38,-3.4 -38,-2.3 -2,-0.6 2,-0.7 -0.883 1.4-159.6-101.7 114.1 -2.2 22.1 21.1 172 188 A L E -DE 73 132A 0 -99,-2.9 -99,-1.9 -2,-0.7 2,-1.0 -0.860 6.6-157.0 -95.6 114.3 -0.5 22.5 17.7 173 189 A H E -DE 72 131A 39 -42,-2.8 -43,-2.6 -2,-0.7 -42,-1.1 -0.810 32.7-136.4 -86.3 100.7 0.5 26.1 17.0 174 190 A L E - E 0 129A 0 -103,-1.9 -45,-0.3 -2,-1.0 5,-0.1 -0.221 8.6-109.0 -70.7 145.9 0.6 25.7 13.2 175 191 A K > - 0 0 40 -47,-2.8 3,-2.1 1,-0.1 -1,-0.1 -0.333 38.2-105.7 -60.7 153.2 3.3 27.1 10.9 176 192 A E T 3 S+ 0 0 138 1,-0.3 3,-0.5 2,-0.1 -1,-0.1 0.805 120.5 45.8 -55.6 -35.0 2.1 29.9 8.7 177 193 A D T 3 S+ 0 0 93 1,-0.2 -1,-0.3 2,-0.1 3,-0.2 0.242 101.3 68.7 -95.7 13.3 2.0 27.7 5.6 178 194 A Q X + 0 0 16 -3,-2.1 3,-1.4 -50,-0.1 -1,-0.2 0.044 55.9 117.6-119.6 26.2 0.3 24.8 7.3 179 195 A T G > + 0 0 58 -3,-0.5 3,-1.9 1,-0.3 4,-0.2 0.548 52.2 87.6 -74.9 -4.9 -3.2 26.3 7.9 180 196 A E G > S+ 0 0 77 1,-0.3 3,-1.7 -3,-0.2 -1,-0.3 0.819 77.6 69.2 -61.2 -25.0 -4.8 23.7 5.6 181 197 A Y G < S+ 0 0 5 -3,-1.4 -1,-0.3 1,-0.3 -2,-0.1 0.383 89.9 61.1 -78.3 7.6 -5.0 21.6 8.7 182 198 A L G < S+ 0 0 7 -3,-1.9 2,-0.4 -116,-0.1 -1,-0.3 0.411 82.5 103.7-101.1 -5.3 -7.7 24.0 10.2 183 199 A E <> - 0 0 85 -3,-1.7 4,-2.5 -4,-0.2 3,-0.3 -0.647 69.9-140.3 -86.1 130.1 -10.0 23.3 7.3 184 200 A E H > S+ 0 0 107 -2,-0.4 4,-2.6 1,-0.2 5,-0.2 0.910 101.7 48.6 -51.7 -48.6 -13.0 21.0 8.1 185 201 A R H > S+ 0 0 223 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.851 112.0 50.0 -63.4 -35.1 -12.8 19.2 4.7 186 202 A R H > S+ 0 0 44 -3,-0.3 4,-2.0 -6,-0.2 -1,-0.2 0.927 112.8 44.4 -72.3 -45.1 -9.1 18.6 5.1 187 203 A I H X S+ 0 0 2 -4,-2.5 4,-2.6 2,-0.2 5,-0.2 0.929 113.3 51.4 -64.8 -43.5 -9.2 17.2 8.6 188 204 A K H X S+ 0 0 142 -4,-2.6 4,-2.3 -5,-0.3 5,-0.2 0.920 109.8 51.6 -57.3 -43.5 -12.2 15.0 7.7 189 205 A E H X S+ 0 0 111 -4,-1.9 4,-2.0 -5,-0.2 -1,-0.2 0.908 111.6 45.1 -59.9 -44.5 -10.3 13.7 4.7 190 206 A I H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 5,-0.4 0.875 111.3 52.5 -72.5 -38.2 -7.2 12.8 6.8 191 207 A V H X S+ 0 0 25 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.928 111.6 46.7 -64.1 -45.0 -9.2 11.1 9.6 192 208 A K H < S+ 0 0 96 -4,-2.3 4,-0.5 -5,-0.2 -2,-0.2 0.911 115.7 46.4 -63.3 -41.0 -11.1 8.9 7.0 193 209 A K H < S+ 0 0 127 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.920 131.8 12.1 -67.7 -45.0 -7.8 8.0 5.2 194 210 A H H < S+ 0 0 49 -4,-2.4 -3,-0.2 -5,-0.1 -2,-0.2 0.566 133.6 33.7-113.9 -14.5 -5.6 7.2 8.2 195 211 A S >< + 0 0 8 -4,-2.2 3,-1.1 -5,-0.4 -3,-0.2 0.056 69.6 122.5-137.0 26.4 -7.8 6.9 11.4 196 212 A Q T 3 S+ 0 0 116 -4,-0.5 -4,-0.1 1,-0.2 -1,-0.1 0.738 77.9 46.7 -71.3 -21.5 -11.2 5.5 10.2 197 213 A F T 3 S+ 0 0 176 -3,-0.1 -1,-0.2 -5,-0.1 -5,-0.1 0.275 72.5 137.5-108.8 12.9 -11.1 2.5 12.6 198 214 A I < - 0 0 48 -3,-1.1 2,-0.1 1,-0.1 4,-0.1 -0.342 56.3-130.7 -59.5 137.3 -10.1 4.1 15.8 199 215 A G S S+ 0 0 59 2,-0.1 -1,-0.1 -2,-0.0 -3,-0.0 0.028 80.2 65.6 -89.3 28.7 -12.2 2.5 18.6 200 216 A Y S S- 0 0 19 -2,-0.1 -139,-0.2 -138,-0.0 2,-0.1 -0.977 95.6 -87.1-141.1 153.0 -13.4 5.7 20.3 201 217 A P - 0 0 81 0, 0.0 -139,-2.7 0, 0.0 2,-0.6 -0.420 36.2-159.5 -65.0 132.4 -15.6 8.5 19.1 202 218 A I E -c 62 0A 46 -141,-0.2 2,-0.6 -2,-0.1 -139,-0.2 -0.966 7.1-166.5-111.1 113.5 -13.7 11.2 17.2 203 219 A T E -c 63 0A 69 -141,-2.5 -139,-2.9 -2,-0.6 2,-0.8 -0.895 8.6-154.1-105.6 118.7 -15.6 14.5 17.1 204 220 A L E -c 64 0A 41 -2,-0.6 -139,-0.2 -141,-0.2 2,-0.1 -0.846 17.0-146.5 -91.6 108.4 -14.4 17.1 14.6 205 221 A F - 0 0 85 -141,-2.9 2,-0.3 -2,-0.8 -142,-0.0 -0.417 10.6-142.3 -70.4 148.5 -15.5 20.5 16.0 206 222 A V - 0 0 83 -2,-0.1 2,-0.3 -141,-0.1 -23,-0.0 -0.781 21.8 -97.5-112.2 162.1 -16.4 23.2 13.5 207 223 A E 0 0 75 -2,-0.3 -140,-0.1 1,-0.2 -1,-0.0 -0.528 360.0 360.0 -86.0 139.3 -15.7 26.9 13.7 208 224 A K 0 0 246 -2,-0.3 -1,-0.2 0, 0.0 -2,-0.0 0.982 360.0 360.0 -68.6 360.0 -18.2 29.4 14.9