==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-OCT-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CHAPERONE 27-MAY-11 2YKJ . COMPND 2 MOLECULE: HEAT SHOCK PROTEIN HSP 90-ALPHA; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.DUPUY,F.VALLEE . 207 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10688.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 158 76.3 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 19.3 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 . 16 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 14.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 62 30.0 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 0 1 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 M 0 0 138 0, 0.0 2,-0.3 0, 0.0 156,-0.2 0.000 360.0 360.0 360.0 125.5 8.2 27.5 34.8 2 18 A E E -A 156 0A 100 154,-2.6 154,-2.1 2,-0.0 2,-0.4 -0.791 360.0-145.5-101.7 144.4 11.2 25.2 34.7 3 19 A T E -A 155 0A 98 -2,-0.3 2,-0.3 152,-0.2 152,-0.2 -0.924 15.6-172.3-114.4 133.9 13.4 24.8 31.6 4 20 A F E -A 154 0A 49 150,-3.2 150,-2.1 -2,-0.4 2,-0.4 -0.915 20.5-125.2-125.4 150.8 15.1 21.6 30.4 5 21 A A E -A 153 0A 85 -2,-0.3 148,-0.2 148,-0.2 2,-0.1 -0.802 24.1-126.9 -97.5 133.1 17.6 20.7 27.8 6 22 A F - 0 0 25 146,-2.3 2,-0.1 -2,-0.4 86,-0.0 -0.461 31.1-110.2 -70.9 148.0 16.8 18.0 25.2 7 23 A Q > - 0 0 94 -2,-0.1 4,-2.2 1,-0.1 5,-0.2 -0.389 34.9-101.2 -74.1 161.2 19.4 15.3 24.9 8 24 A A H > S+ 0 0 77 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.856 116.0 53.9 -52.3 -46.1 21.4 15.2 21.7 9 25 A E H > S+ 0 0 53 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.958 113.4 39.0 -57.4 -57.6 19.5 12.4 20.0 10 26 A I H > S+ 0 0 7 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.872 113.4 56.5 -63.7 -35.7 16.0 13.8 20.3 11 27 A A H X S+ 0 0 28 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.916 107.9 49.0 -61.5 -41.3 17.3 17.4 19.5 12 28 A Q H X S+ 0 0 124 -4,-2.3 4,-2.2 -5,-0.2 -1,-0.2 0.890 110.0 51.1 -65.1 -39.8 18.8 16.0 16.3 13 29 A L H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.906 107.4 52.9 -64.6 -40.9 15.5 14.3 15.4 14 30 A M H X S+ 0 0 2 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.917 110.7 47.8 -60.9 -41.9 13.5 17.6 16.0 15 31 A S H X S+ 0 0 63 -4,-2.0 4,-2.9 2,-0.2 5,-0.3 0.894 110.7 51.6 -66.0 -39.0 15.9 19.4 13.6 16 32 A L H X S+ 0 0 38 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.936 109.6 49.1 -62.8 -46.2 15.5 16.6 11.0 17 33 A I H < S+ 0 0 3 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.852 118.0 41.0 -63.0 -33.8 11.7 16.8 11.2 18 34 A I H < S+ 0 0 64 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.831 123.6 35.7 -84.4 -32.4 11.8 20.6 10.8 19 35 A N H < S+ 0 0 126 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.816 91.8 94.7 -92.0 -35.0 14.6 20.9 8.2 20 36 A T S < S- 0 0 65 -4,-2.7 2,-0.6 -5,-0.3 -4,-0.0 -0.313 78.2-118.5 -63.3 139.3 14.1 17.8 5.9 21 37 A F + 0 0 183 -2,-0.0 2,-0.3 2,-0.0 -1,-0.1 -0.712 52.4 147.7 -80.6 118.0 12.0 18.3 2.7 22 38 A Y - 0 0 38 -2,-0.6 3,-0.1 -5,-0.1 -2,-0.0 -0.822 29.7-169.0-156.4 109.1 9.0 16.0 3.0 23 39 A S S S+ 0 0 94 -2,-0.3 2,-2.1 1,-0.2 3,-0.3 0.721 71.1 85.0 -74.6 -23.2 5.6 16.9 1.5 24 40 A N > + 0 0 60 1,-0.2 3,-0.9 2,-0.1 -1,-0.2 -0.278 48.8 141.9 -78.8 55.9 3.5 14.2 3.2 25 41 A K T > + 0 0 40 -2,-2.1 3,-2.0 1,-0.2 -1,-0.2 0.712 46.5 84.3 -69.4 -23.7 3.0 16.2 6.4 26 42 A E T >> + 0 0 18 -3,-0.3 3,-1.4 1,-0.3 4,-0.6 0.687 69.7 79.8 -56.0 -21.1 -0.6 15.1 6.9 27 43 A I H <> S+ 0 0 0 -3,-0.9 4,-1.8 1,-0.3 -1,-0.3 0.667 71.6 82.2 -63.6 -13.7 0.5 11.9 8.7 28 44 A F H <> S+ 0 0 0 -3,-2.0 4,-2.0 1,-0.2 -1,-0.3 0.888 88.1 53.4 -58.2 -38.0 1.1 13.9 11.8 29 45 A L H <> S+ 0 0 1 -3,-1.4 4,-2.6 1,-0.2 5,-0.2 0.919 105.3 52.5 -64.4 -43.6 -2.6 13.7 12.7 30 46 A R H X S+ 0 0 57 -4,-0.6 4,-2.2 1,-0.2 -1,-0.2 0.896 110.0 50.6 -57.1 -42.3 -2.7 9.9 12.4 31 47 A E H X S+ 0 0 15 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.894 111.5 45.3 -65.8 -42.2 0.3 9.8 14.8 32 48 A L H X S+ 0 0 3 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.892 113.2 50.1 -70.5 -38.7 -1.3 12.0 17.5 33 49 A I H X S+ 0 0 0 -4,-2.6 4,-2.9 1,-0.2 -2,-0.2 0.909 110.2 51.5 -66.2 -37.8 -4.6 10.2 17.3 34 50 A S H X S+ 0 0 42 -4,-2.2 4,-2.6 -5,-0.2 -1,-0.2 0.895 108.3 51.0 -65.2 -39.0 -2.8 6.9 17.7 35 51 A N H X S+ 0 0 59 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.901 111.9 47.5 -63.8 -40.1 -1.0 8.2 20.7 36 52 A S H X S+ 0 0 4 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.929 111.1 50.9 -64.5 -46.9 -4.4 9.3 22.2 37 53 A S H X S+ 0 0 14 -4,-2.9 4,-2.6 1,-0.2 -2,-0.2 0.909 110.0 50.2 -57.1 -45.2 -5.9 5.9 21.3 38 54 A D H X S+ 0 0 98 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.901 111.1 48.9 -61.2 -40.9 -3.0 4.2 23.1 39 55 A A H X S+ 0 0 20 -4,-1.9 4,-1.8 2,-0.2 41,-1.5 0.830 111.1 49.9 -68.1 -33.3 -3.5 6.4 26.2 40 56 A L H X S+ 0 0 0 -4,-2.2 4,-2.3 39,-0.3 -2,-0.2 0.897 108.3 53.4 -71.6 -39.8 -7.2 5.6 26.2 41 57 A D H X S+ 0 0 60 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.911 108.6 52.2 -58.2 -43.0 -6.5 1.9 25.9 42 58 A K H X S+ 0 0 124 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.920 111.6 41.3 -63.7 -48.0 -4.2 2.2 28.9 43 59 A I H X S+ 0 0 0 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.888 114.7 53.8 -69.9 -34.7 -6.7 3.9 31.3 44 60 A R H X S+ 0 0 107 -4,-2.3 4,-0.7 2,-0.2 -2,-0.2 0.939 109.0 47.7 -63.9 -44.8 -9.5 1.7 30.1 45 61 A Y H >X S+ 0 0 167 -4,-2.6 3,-1.2 1,-0.2 4,-0.6 0.926 110.8 51.3 -62.9 -42.5 -7.5 -1.5 30.9 46 62 A E H >X S+ 0 0 54 -4,-2.1 4,-2.2 1,-0.3 3,-1.2 0.890 103.9 58.9 -60.6 -37.2 -6.5 -0.2 34.3 47 63 A S H 3< S+ 0 0 16 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.681 91.0 71.5 -66.2 -16.4 -10.2 0.5 35.0 48 64 A L H << S+ 0 0 117 -3,-1.2 -1,-0.3 -4,-0.7 -2,-0.2 0.840 111.4 28.2 -67.7 -32.6 -10.9 -3.2 34.5 49 65 A T H << S+ 0 0 120 -3,-1.2 -2,-0.2 -4,-0.6 -1,-0.2 0.784 136.6 29.1 -95.2 -35.4 -9.2 -4.0 37.7 50 66 A D >< - 0 0 62 -4,-2.2 3,-2.2 1,-0.1 -1,-0.2 -0.820 62.3-173.9-130.5 93.0 -9.9 -0.7 39.5 51 67 A P G > S+ 0 0 96 0, 0.0 3,-2.0 0, 0.0 -1,-0.1 0.756 80.5 73.8 -56.4 -26.2 -13.1 1.0 38.4 52 68 A S G > S+ 0 0 54 1,-0.3 3,-2.2 2,-0.2 4,-0.3 0.664 74.1 83.8 -63.6 -14.6 -12.3 4.0 40.5 53 69 A K G < S+ 0 0 45 -3,-2.2 3,-0.4 1,-0.3 -1,-0.3 0.738 90.1 51.3 -59.4 -22.0 -9.6 4.9 37.9 54 70 A L G X S+ 0 0 26 -3,-2.0 3,-2.3 1,-0.2 -1,-0.3 0.279 74.3 101.5 -99.9 9.7 -12.5 6.5 36.0 55 71 A D T < S+ 0 0 123 -3,-2.2 -1,-0.2 1,-0.3 3,-0.2 0.796 79.9 60.1 -62.7 -23.7 -13.7 8.7 38.9 56 72 A S T 3 S- 0 0 38 -3,-0.4 -1,-0.3 -4,-0.3 -2,-0.1 0.316 134.6 -30.5 -84.9 8.3 -11.8 11.5 37.1 57 73 A G < - 0 0 26 -3,-2.3 -1,-0.3 108,-0.1 -2,-0.1 -0.063 45.4-155.0 141.1 117.7 -14.0 10.9 34.1 58 74 A K + 0 0 151 -3,-0.2 2,-0.2 -2,-0.1 -3,-0.1 0.744 68.3 99.9 -84.5 -23.2 -15.8 7.9 32.6 59 75 A E - 0 0 146 -5,-0.1 2,-0.6 1,-0.1 0, 0.0 -0.463 54.8-163.4 -69.7 128.8 -15.9 9.2 29.0 60 76 A L + 0 0 36 -2,-0.2 2,-0.3 17,-0.1 19,-0.1 -0.911 36.6 127.5-114.1 100.0 -13.2 7.8 26.7 61 77 A H - 0 0 39 -2,-0.6 17,-1.4 139,-0.2 2,-0.4 -0.926 49.8-131.9-149.9 172.7 -12.9 10.0 23.6 62 78 A I E -Bc 77 202A 0 139,-2.4 141,-2.4 -2,-0.3 2,-0.4 -0.999 19.8-167.4-131.0 127.4 -10.8 12.1 21.3 63 79 A N E -Bc 76 203A 25 13,-3.0 13,-3.2 -2,-0.4 2,-0.6 -0.945 9.7-154.8-117.7 138.3 -11.7 15.6 20.1 64 80 A L E -Bc 75 204A 0 139,-2.8 141,-2.6 -2,-0.4 11,-0.2 -0.960 17.9-172.6-111.4 115.7 -10.1 17.6 17.3 65 81 A I E -B 74 0A 53 9,-3.0 9,-2.5 -2,-0.6 2,-0.3 -0.899 5.7-168.5-119.7 108.0 -10.4 21.3 17.8 66 82 A P E -B 73 0A 8 0, 0.0 2,-0.3 0, 0.0 7,-0.2 -0.687 3.7-175.3 -92.4 145.0 -9.4 23.9 15.2 67 83 A N E >> -B 72 0A 48 5,-2.3 5,-2.0 -2,-0.3 4,-1.0 -0.849 8.0-173.2-141.8 101.7 -9.1 27.6 16.0 68 84 A K T 45S+ 0 0 128 -2,-0.3 -1,-0.1 3,-0.2 5,-0.0 0.843 84.3 57.2 -64.0 -36.4 -8.3 29.9 13.0 69 85 A Q T 45S+ 0 0 169 1,-0.2 -1,-0.2 2,-0.1 -2,-0.0 0.931 118.8 31.2 -61.4 -46.2 -7.9 33.0 15.2 70 86 A D T 45S- 0 0 103 2,-0.1 -1,-0.2 -3,-0.0 -2,-0.2 0.538 105.4-130.4 -87.5 -8.7 -5.2 31.5 17.3 71 87 A R T <5 + 0 0 88 -4,-1.0 103,-1.5 1,-0.2 2,-0.3 0.937 60.8 136.1 55.5 51.5 -4.0 29.4 14.4 72 88 A T E < -BD 67 173A 14 -5,-2.0 -5,-2.3 101,-0.2 2,-0.5 -0.949 45.6-160.5-130.8 148.8 -4.0 26.2 16.5 73 89 A L E -BD 66 172A 0 99,-1.6 99,-2.8 -2,-0.3 2,-0.5 -0.997 19.6-163.4-125.7 120.2 -5.2 22.6 16.1 74 90 A T E -BD 65 171A 20 -9,-2.5 -9,-3.0 -2,-0.5 2,-0.6 -0.918 11.7-158.1-112.9 131.3 -5.7 20.8 19.4 75 91 A I E -BD 64 170A 0 95,-2.4 95,-2.7 -2,-0.5 2,-0.4 -0.937 19.8-170.7-106.5 114.1 -6.0 17.0 19.8 76 92 A V E +BD 63 169A 19 -13,-3.2 -13,-3.0 -2,-0.6 2,-0.3 -0.901 9.4 170.3-111.0 133.5 -7.8 16.3 23.1 77 93 A D E -BD 62 168A 7 91,-2.5 91,-1.6 -2,-0.4 -15,-0.2 -0.959 35.8-141.3-137.8 157.9 -8.2 12.9 24.7 78 94 A T + 0 0 22 -17,-1.4 89,-0.2 -2,-0.3 -16,-0.1 -0.201 60.9 131.8-108.4 39.4 -9.4 11.6 28.0 79 95 A G S S- 0 0 0 89,-0.1 -39,-0.3 -18,-0.1 -40,-0.1 0.141 78.7 -68.4 -74.9-163.9 -6.7 9.0 28.2 80 96 A I - 0 0 16 -41,-1.5 59,-0.5 -44,-0.2 87,-0.2 0.742 69.0-153.2 -64.5 -24.9 -4.4 8.1 31.1 81 97 A G - 0 0 6 57,-0.2 2,-0.4 85,-0.1 57,-0.2 -0.170 16.9 -81.8 78.1-177.1 -2.5 11.4 30.9 82 98 A M - 0 0 37 85,-0.4 56,-0.4 62,-0.1 62,-0.2 -0.990 28.6-141.7-133.5 139.2 1.1 12.1 32.0 83 99 A T > - 0 0 19 -2,-0.4 4,-2.4 54,-0.1 5,-0.1 -0.325 38.2-100.2 -86.8 174.1 2.7 12.8 35.4 84 100 A K H > S+ 0 0 73 1,-0.2 4,-2.5 2,-0.2 5,-0.3 0.908 126.9 53.1 -62.3 -39.1 5.5 15.2 35.9 85 101 A A H >>S+ 0 0 48 1,-0.2 5,-2.2 2,-0.2 4,-1.9 0.855 107.9 50.3 -63.6 -37.1 7.9 12.3 36.0 86 102 A D H 4>S+ 0 0 36 3,-0.2 5,-2.7 4,-0.2 6,-0.3 0.950 112.4 47.8 -64.3 -48.3 6.5 11.0 32.6 87 103 A L H <5S+ 0 0 12 -4,-2.4 -2,-0.2 1,-0.1 -1,-0.2 0.878 125.7 25.5 -60.4 -43.9 7.0 14.5 31.1 88 104 A I H <5S+ 0 0 34 -4,-2.5 -3,-0.2 -5,-0.1 -2,-0.2 0.891 137.6 9.4 -90.4 -46.0 10.5 15.1 32.3 89 105 A N T >X5S+ 0 0 103 -4,-1.9 4,-1.8 -5,-0.3 3,-0.7 0.900 120.4 47.2-102.7 -63.9 12.1 11.6 32.8 90 106 A N H 3> S+ 0 0 24 -3,-0.7 4,-1.9 -6,-0.3 -1,-0.2 0.887 104.3 48.4 -71.0 -38.3 12.8 11.3 27.8 93 109 A T H X S+ 0 0 95 -4,-1.8 4,-2.1 -3,-0.3 5,-0.3 0.919 113.6 46.2 -65.6 -45.0 14.0 7.7 28.0 94 110 A I H X S+ 0 0 81 -4,-1.7 4,-2.8 1,-0.2 5,-0.3 0.902 110.2 54.0 -65.3 -40.8 11.5 6.6 25.4 95 111 A A H X S+ 0 0 7 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.892 109.8 48.2 -61.3 -39.6 12.4 9.6 23.1 96 112 A K H X S+ 0 0 70 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.961 116.7 39.0 -67.4 -52.6 16.1 8.7 23.2 97 113 A S H X S+ 0 0 65 -4,-2.1 4,-2.1 1,-0.2 5,-0.2 0.909 117.9 50.5 -65.9 -40.5 15.7 5.0 22.4 98 114 A G H X S+ 0 0 6 -4,-2.8 4,-2.3 -5,-0.3 -1,-0.2 0.897 110.7 49.0 -63.6 -40.7 13.0 5.6 19.9 99 115 A T H X S+ 0 0 1 -4,-2.1 4,-3.0 -5,-0.3 5,-0.2 0.922 109.1 52.1 -65.0 -44.5 15.0 8.3 18.1 100 116 A K H X S+ 0 0 97 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.928 113.1 44.6 -57.8 -47.0 18.1 6.0 17.9 101 117 A A H X S+ 0 0 39 -4,-2.1 4,-1.6 1,-0.2 -1,-0.2 0.905 114.6 48.8 -64.9 -42.2 16.1 3.2 16.4 102 118 A F H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.920 109.5 51.4 -64.7 -45.1 14.2 5.6 14.0 103 119 A M H X S+ 0 0 38 -4,-3.0 4,-2.0 1,-0.2 -1,-0.2 0.898 109.3 50.1 -60.3 -42.0 17.4 7.3 12.8 104 120 A E H X S+ 0 0 138 -4,-1.8 4,-0.6 -5,-0.2 -1,-0.2 0.869 110.5 51.2 -64.6 -35.2 19.1 4.0 12.0 105 121 A A H X>S+ 0 0 21 -4,-1.6 5,-2.7 1,-0.2 4,-0.8 0.884 107.7 52.5 -68.7 -39.1 16.0 3.0 10.0 106 122 A L H ><5S+ 0 0 35 -4,-2.2 3,-1.0 1,-0.2 -2,-0.2 0.915 106.4 51.4 -63.3 -45.5 16.0 6.2 8.0 107 123 A Q H 3<5S+ 0 0 174 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.695 107.8 56.2 -65.8 -17.5 19.6 5.8 6.9 108 124 A A H 3<5S- 0 0 88 -4,-0.6 -1,-0.3 -3,-0.4 -2,-0.2 0.675 134.6 -85.9 -86.3 -20.2 18.7 2.3 5.8 109 125 A G T <<5S+ 0 0 66 -3,-1.0 -3,-0.2 -4,-0.8 -2,-0.1 0.339 80.0 141.7 131.4 -4.1 15.9 3.6 3.6 110 126 A A < - 0 0 32 -5,-2.7 2,-0.3 -6,-0.1 -1,-0.2 -0.077 45.2-121.7 -61.2 168.3 12.9 4.0 5.9 111 127 A D > - 0 0 67 1,-0.1 3,-1.9 0, 0.0 -1,-0.1 -0.797 15.4-116.3-116.0 157.3 10.6 6.9 5.5 112 128 A I G > S+ 0 0 13 -2,-0.3 3,-1.9 1,-0.3 4,-0.1 0.796 110.2 70.0 -59.9 -28.7 9.5 9.7 7.9 113 129 A S G 3 S+ 0 0 32 1,-0.3 3,-0.4 2,-0.1 -1,-0.3 0.615 90.2 62.7 -66.7 -10.1 5.9 8.4 7.7 114 130 A M G X + 0 0 76 -3,-1.9 3,-2.0 1,-0.2 4,-0.3 0.337 67.4 111.6 -95.9 7.2 7.0 5.3 9.7 115 131 A I G X > + 0 0 0 -3,-1.9 3,-1.7 1,-0.3 5,-1.1 0.789 66.8 65.3 -50.2 -34.3 8.0 7.4 12.7 116 132 A G G > 5S+ 0 0 31 -3,-0.4 3,-1.4 1,-0.3 -1,-0.3 0.746 87.3 68.1 -64.4 -23.9 5.2 5.9 14.8 117 133 A Q G < 5S+ 0 0 146 -3,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.664 100.0 52.2 -69.8 -12.7 6.7 2.4 14.7 118 134 A F G < 5S- 0 0 52 -3,-1.7 -1,-0.3 -4,-0.3 -2,-0.2 0.264 114.8-112.9-107.5 10.1 9.5 3.8 16.9 119 135 A G T < 5S+ 0 0 52 -3,-1.4 -3,-0.2 1,-0.1 3,-0.1 0.609 96.6 93.3 72.5 12.1 7.3 5.3 19.6 120 136 A V > < + 0 0 5 -5,-1.1 3,-1.8 -22,-0.2 4,-0.2 0.047 36.7 123.7-123.1 24.6 8.2 8.9 18.8 121 137 A G G > + 0 0 1 1,-0.3 3,-2.3 -6,-0.2 4,-0.3 0.741 61.0 77.3 -55.5 -27.1 5.3 9.8 16.5 122 138 A F G > S+ 0 0 43 1,-0.3 3,-1.8 2,-0.2 -1,-0.3 0.876 86.3 61.8 -50.6 -38.6 4.4 12.6 18.8 123 139 A Y G X S+ 0 0 23 -3,-1.8 3,-1.6 1,-0.3 -1,-0.3 0.587 79.5 81.0 -69.2 -8.4 7.4 14.5 17.3 124 140 A S G X S+ 0 0 1 -3,-2.3 3,-2.1 1,-0.3 4,-0.4 0.650 72.8 83.1 -69.0 -12.5 5.8 14.4 13.8 125 141 A A G X> S+ 0 0 0 -3,-1.8 4,-2.2 1,-0.3 3,-1.4 0.836 78.3 66.0 -58.3 -31.3 3.8 17.4 15.2 126 142 A Y G <4 S+ 0 0 1 -3,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.486 81.1 76.7 -73.2 -0.7 6.8 19.5 14.2 127 143 A L G <4 S+ 0 0 2 -3,-2.1 -1,-0.3 -102,-0.1 -2,-0.2 0.820 118.9 12.3 -73.8 -31.4 6.1 18.8 10.6 128 144 A V T <4 S+ 0 0 0 -3,-1.4 47,-2.7 -4,-0.4 2,-0.4 0.569 118.6 73.7-120.9 -13.9 3.3 21.3 10.9 129 145 A A E < -E 174 0A 1 -4,-2.2 45,-0.3 45,-0.3 3,-0.1 -0.840 48.1-165.8-110.6 142.5 3.8 23.2 14.2 130 146 A E E S+ 0 0 111 43,-2.6 2,-0.3 -2,-0.4 44,-0.1 0.659 89.1 19.2 -91.2 -19.9 6.3 25.8 15.2 131 147 A K E -E 173 0A 63 42,-1.1 42,-2.6 -6,-0.1 2,-0.4 -0.989 68.3-157.8-149.7 141.1 5.5 25.3 18.8 132 148 A V E -EF 172 148A 0 16,-2.1 16,-2.0 -2,-0.3 2,-0.5 -0.989 5.1-168.6-125.2 130.3 3.7 22.4 20.7 133 149 A T E -EF 171 147A 8 38,-2.3 38,-3.6 -2,-0.4 2,-0.6 -0.978 4.5-163.3-119.4 126.2 2.0 22.8 24.0 134 150 A V E -EF 170 146A 5 12,-3.4 12,-2.8 -2,-0.5 2,-0.5 -0.943 4.0-171.5-114.0 115.9 0.9 19.7 26.0 135 151 A I E +EF 169 145A 14 34,-2.4 34,-2.9 -2,-0.6 2,-0.3 -0.923 21.3 171.9-103.3 127.8 -1.6 20.1 28.8 136 152 A T E -EF 168 144A 0 8,-2.6 8,-2.6 -2,-0.5 2,-0.4 -0.987 26.0-169.8-145.5 149.5 -2.0 16.9 30.7 137 153 A K E -E 167 0A 43 30,-2.8 30,-2.8 -2,-0.3 2,-0.3 -0.962 8.4-173.8-140.3 118.7 -3.6 15.4 33.8 138 154 A H > - 0 0 19 4,-0.4 3,-2.0 -2,-0.4 -57,-0.2 -0.831 36.4-116.8-109.4 148.1 -2.8 12.0 35.2 139 155 A N T 3 S+ 0 0 47 -59,-0.5 -1,-0.1 -2,-0.3 -58,-0.1 0.793 114.0 51.2 -53.5 -31.4 -4.7 10.5 38.2 140 156 A D T 3 S+ 0 0 122 2,-0.1 -1,-0.3 -3,-0.0 2,-0.3 0.309 116.1 28.6 -92.4 8.4 -1.5 10.3 40.2 141 157 A D S < S- 0 0 50 -3,-2.0 2,-0.1 -58,-0.1 3,-0.0 -0.875 83.6 -88.0-152.0-176.9 -0.4 14.0 39.7 142 158 A E - 0 0 95 -2,-0.3 -4,-0.4 1,-0.1 2,-0.4 -0.365 56.8 -73.7 -94.6 176.9 -1.6 17.5 39.1 143 159 A Q - 0 0 20 16,-0.2 16,-2.5 -6,-0.1 2,-0.3 -0.571 56.7-176.1 -76.1 128.6 -2.3 19.3 35.8 144 160 A Y E -FG 136 158A 17 -8,-2.6 -8,-2.6 -2,-0.4 2,-0.5 -0.852 22.7-143.8-125.7 159.6 0.9 20.3 33.9 145 161 A A E -FG 135 157A 0 12,-2.8 12,-1.6 -2,-0.3 2,-0.4 -0.985 14.5-174.2-125.3 119.8 1.9 22.1 30.8 146 162 A W E +FG 134 156A 13 -12,-2.8 -12,-3.4 -2,-0.5 2,-0.3 -0.879 14.9 174.3-107.2 143.1 4.9 20.9 28.7 147 163 A E E +FG 133 155A 41 8,-2.0 8,-2.5 -2,-0.4 2,-0.3 -0.996 12.2 169.0-154.7 146.0 6.0 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 -0.954 26.2-174.4-159.8 139.9 8.7 23.4 23.2 149 165 A S - 0 0 72 1,-0.6 2,-0.1 4,-0.4 5,-0.1 -0.085 59.6-115.7-116.0 26.7 9.5 25.4 20.0 150 166 A A S > S+ 0 0 17 3,-0.3 3,-1.0 1,-0.1 -1,-0.6 -0.433 73.0 130.8 69.4-145.5 12.6 23.2 19.6 151 167 A G T 3 S- 0 0 83 1,-0.2 -1,-0.1 -140,-0.1 3,-0.1 0.669 100.7 -67.3 73.7 12.3 15.8 25.1 19.8 152 168 A G T 3 S+ 0 0 32 1,-0.2 -146,-2.3 -141,-0.1 2,-0.3 0.418 112.1 78.8 89.4 -1.2 17.1 22.5 22.2 153 169 A S E < -A 5 0A 49 -3,-1.0 -4,-0.4 -148,-0.2 -3,-0.3 -0.930 46.8-171.6-139.8 162.5 14.9 23.1 25.2 154 170 A F E -A 4 0A 17 -150,-2.1 -150,-3.2 -2,-0.3 2,-0.3 -0.941 17.0-137.8-143.9 161.0 11.4 22.5 26.6 155 171 A T E -AG 3 147A 20 -8,-2.5 -8,-2.0 -2,-0.3 2,-0.4 -0.896 9.5-166.1-124.9 155.6 9.6 23.8 29.6 156 172 A V E +AG 2 146A 2 -154,-2.1 -154,-2.6 -2,-0.3 2,-0.3 -0.997 18.4 154.5-139.5 134.9 7.3 22.3 32.3 157 173 A R E - G 0 145A 80 -12,-1.6 -12,-2.8 -2,-0.4 2,-0.2 -0.982 49.9 -89.0-154.0 157.8 5.1 24.1 34.7 158 174 A T E - G 0 144A 69 -2,-0.3 2,-0.5 -14,-0.2 -14,-0.3 -0.509 48.1-128.9 -68.7 140.3 2.0 23.5 36.7 159 175 A D - 0 0 30 -16,-2.5 -16,-0.2 -23,-0.2 -1,-0.1 -0.832 25.4-176.2 -99.7 126.9 -1.0 24.5 34.6 160 176 A T + 0 0 141 -2,-0.5 -1,-0.1 3,-0.0 -16,-0.0 0.253 50.9 113.6-100.4 9.4 -3.7 26.9 36.0 161 177 A G S S- 0 0 35 1,-0.2 3,-0.1 -18,-0.0 -18,-0.1 0.024 85.2 -41.7 -69.4-175.0 -5.9 26.6 33.0 162 178 A E S S- 0 0 155 1,-0.1 -1,-0.2 2,-0.1 2,-0.1 -0.244 73.9-105.7 -52.0 125.4 -9.3 25.0 32.9 163 179 A P - 0 0 101 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.358 30.6-163.6 -58.8 128.3 -9.2 21.8 34.9 164 180 A M - 0 0 35 1,-0.1 2,-1.8 -2,-0.1 -27,-0.1 0.651 15.5-144.4 -90.0 -19.4 -9.2 18.7 32.6 165 181 A G S S- 0 0 35 2,-0.1 2,-0.3 -27,-0.1 -1,-0.1 -0.444 74.2 -19.0 87.6 -66.5 -10.2 15.9 35.0 166 182 A R S S+ 0 0 6 -2,-1.8 2,-0.3 -89,-0.1 -28,-0.2 -0.885 100.4 53.9-171.3 140.3 -7.9 13.4 33.2 167 183 A G E - E 0 137A 0 -30,-2.8 -30,-2.8 -2,-0.3 -85,-0.4 -0.860 67.1 -74.6 133.0-167.0 -6.3 13.3 29.8 168 184 A T E -DE 77 136A 10 -91,-1.6 -91,-2.5 -2,-0.3 2,-0.5 -0.995 19.3-161.4-142.1 142.9 -4.0 15.1 27.4 169 185 A K E -DE 76 135A 62 -34,-2.9 -34,-2.4 -2,-0.3 2,-0.7 -0.993 7.7-162.7-123.2 120.4 -4.3 18.1 25.1 170 186 A V E -DE 75 134A 13 -95,-2.7 -95,-2.4 -2,-0.5 2,-0.7 -0.923 11.1-161.5-105.8 110.2 -1.7 18.5 22.4 171 187 A I E -DE 74 133A 36 -38,-3.6 -38,-2.3 -2,-0.7 2,-0.7 -0.844 0.8-158.6 -97.1 115.0 -1.9 22.1 21.1 172 188 A L E -DE 73 132A 0 -99,-2.8 -99,-1.6 -2,-0.7 2,-1.3 -0.830 6.0-158.5 -97.6 110.8 -0.3 22.6 17.7 173 189 A H E -DE 72 131A 43 -42,-2.6 -43,-2.6 -2,-0.7 -42,-1.1 -0.767 33.0-137.0 -87.0 95.2 0.7 26.2 17.0 174 190 A L E - E 0 129A 1 -103,-1.5 -45,-0.3 -2,-1.3 5,-0.1 -0.166 7.6-110.3 -61.4 144.9 0.7 25.8 13.3 175 191 A K > - 0 0 35 -47,-2.7 3,-2.1 1,-0.1 -1,-0.1 -0.370 38.4-104.9 -67.7 154.1 3.3 27.3 11.0 176 192 A E T 3 S+ 0 0 154 1,-0.3 3,-0.5 2,-0.1 -1,-0.1 0.791 119.6 46.9 -52.6 -34.2 2.1 30.1 8.8 177 193 A D T 3 S+ 0 0 109 1,-0.2 -1,-0.3 2,-0.1 3,-0.2 0.216 100.6 67.8 -96.5 15.9 1.9 27.9 5.6 178 194 A Q X + 0 0 13 -3,-2.1 3,-1.4 -50,-0.1 -1,-0.2 0.034 55.9 119.1-121.8 27.3 0.2 25.0 7.3 179 195 A T G > + 0 0 66 -3,-0.5 3,-1.7 1,-0.3 4,-0.2 0.536 52.9 87.3 -71.0 -5.4 -3.3 26.5 8.0 180 196 A E G > S+ 0 0 67 1,-0.3 3,-1.6 2,-0.2 6,-0.3 0.802 77.2 68.2 -63.7 -24.8 -4.9 23.9 5.7 181 197 A Y G < S+ 0 0 6 -3,-1.4 -1,-0.3 1,-0.3 -2,-0.1 0.322 90.2 62.5 -78.2 10.4 -5.1 21.7 8.8 182 198 A L G < S+ 0 0 7 -3,-1.7 2,-0.4 -116,-0.1 -1,-0.3 0.419 83.0 99.9-108.1 -6.6 -7.6 24.2 10.3 183 199 A E S <> S- 0 0 101 -3,-1.6 4,-2.3 -4,-0.2 3,-0.3 -0.687 71.7-138.4 -87.5 131.8 -10.1 23.5 7.6 184 200 A E H > S+ 0 0 104 -2,-0.4 4,-2.6 1,-0.2 5,-0.2 0.895 102.2 50.9 -52.8 -48.2 -13.0 21.1 8.3 185 201 A R H > S+ 0 0 199 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.866 111.2 49.0 -61.2 -36.8 -12.8 19.4 4.9 186 202 A R H > S+ 0 0 41 -3,-0.3 4,-2.2 -6,-0.3 -2,-0.2 0.935 112.7 45.5 -69.5 -47.7 -9.1 18.8 5.2 187 203 A I H X S+ 0 0 1 -4,-2.3 4,-2.6 -7,-0.2 5,-0.2 0.923 113.0 50.8 -62.9 -43.4 -9.2 17.3 8.7 188 204 A K H X S+ 0 0 116 -4,-2.6 4,-2.2 -5,-0.2 -1,-0.2 0.899 109.7 51.8 -60.7 -39.7 -12.2 15.1 7.8 189 205 A E H X S+ 0 0 115 -4,-1.8 4,-1.9 -5,-0.2 -1,-0.2 0.932 112.0 45.1 -61.3 -48.0 -10.3 13.9 4.8 190 206 A I H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 5,-0.4 0.896 112.1 50.8 -65.6 -42.5 -7.2 12.9 6.8 191 207 A V H X S+ 0 0 23 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.921 112.1 46.5 -63.2 -44.5 -9.2 11.2 9.6 192 208 A K H < S+ 0 0 139 -4,-2.2 4,-0.5 -5,-0.2 -1,-0.2 0.876 114.9 49.1 -65.6 -35.6 -11.1 9.1 7.2 193 209 A K H < S+ 0 0 120 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.887 131.7 9.7 -72.0 -41.4 -7.9 8.2 5.3 194 210 A H H < S+ 0 0 45 -4,-2.4 -3,-0.2 -5,-0.1 -2,-0.2 0.592 133.0 36.7-117.9 -13.9 -5.7 7.2 8.3 195 211 A S >< + 0 0 6 -4,-2.5 3,-1.2 -5,-0.4 -3,-0.2 0.094 69.2 119.2-131.5 27.7 -7.8 7.0 11.4 196 212 A Q T 3 S+ 0 0 80 -4,-0.5 -1,-0.1 1,-0.2 -4,-0.1 0.685 78.6 48.2 -68.5 -19.1 -11.2 5.5 10.4 197 213 A F T 3 S+ 0 0 187 -3,-0.1 -1,-0.2 2,-0.0 2,-0.1 0.226 73.0 137.6-108.2 15.5 -11.0 2.4 12.6 198 214 A I < - 0 0 40 -3,-1.2 2,-0.3 1,-0.1 4,-0.1 -0.401 56.8-129.9 -62.6 134.0 -9.9 4.0 15.9 199 215 A G S S+ 0 0 61 -2,-0.1 -1,-0.1 2,-0.1 -3,-0.0 0.050 83.1 65.3 -78.7 27.4 -11.8 2.4 18.8 200 216 A Y S S- 0 0 17 -2,-0.3 2,-0.3 -138,-0.0 -139,-0.2 -0.980 95.9 -90.2-143.6 150.3 -13.0 5.6 20.4 201 217 A P - 0 0 79 0, 0.0 -139,-2.4 0, 0.0 2,-0.6 -0.470 36.5-159.0 -67.2 126.2 -15.3 8.4 19.2 202 218 A I E -c 62 0A 45 -2,-0.3 2,-0.6 -141,-0.2 -139,-0.2 -0.935 6.4-164.9-107.0 114.8 -13.4 11.1 17.3 203 219 A T E -c 63 0A 70 -141,-2.4 -139,-2.8 -2,-0.6 2,-0.9 -0.896 8.4-153.2-105.8 120.1 -15.3 14.3 17.2 204 220 A L E -c 64 0A 42 -2,-0.6 -139,-0.2 -141,-0.2 2,-0.1 -0.816 17.6-150.1 -92.1 106.0 -14.2 17.0 14.7 205 221 A F - 0 0 81 -141,-2.6 2,-0.3 -2,-0.9 -142,-0.0 -0.368 11.6-158.6 -71.6 155.3 -15.2 20.3 16.2 206 222 A V 0 0 84 -141,-0.1 -23,-0.1 -2,-0.1 -1,-0.0 -0.781 360.0 360.0-128.0 172.6 -16.0 23.2 13.8 207 223 A E 0 0 160 -2,-0.3 -23,-0.1 -142,-0.0 -140,-0.1 -0.832 360.0 360.0-118.5 360.0 -16.1 26.9 14.1