==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-FEB-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CHAPERONE 14-APR-11 2YGF . COMPND 2 MOLECULE: ATP-DEPENDENT MOLECULAR CHAPERONE HSP82; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR M.ROE,C.PRODROMOU,L.H.PEARL . 213 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10757.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 153 71.8 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 . 41 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 . 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 . 16 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 16.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 50 23.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 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 1 0 0 1 2 0 0 0 0 0 0 0 0 1 0 0 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 1 2 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 2 A A 0 0 137 0, 0.0 158,-0.5 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 136.5 7.8 -51.8 5.4 2 3 A S E -A 158 0A 74 156,-0.2 2,-0.4 154,-0.0 156,-0.2 -0.636 360.0-146.6 -90.3 145.0 10.9 -49.7 6.0 3 4 A E E -A 157 0A 87 154,-2.2 154,-2.3 -2,-0.3 2,-0.4 -0.909 14.8-145.0-104.6 140.1 14.5 -50.7 5.4 4 5 A T E -A 156 0A 93 -2,-0.4 2,-0.3 152,-0.2 152,-0.2 -0.878 15.9-174.1-109.6 138.7 17.2 -49.4 7.7 5 6 A F E -A 155 0A 40 150,-2.9 150,-2.5 -2,-0.4 2,-0.3 -0.966 21.8-125.4-129.8 144.3 20.7 -48.4 6.6 6 7 A E E -A 154 0A 97 -2,-0.3 148,-0.3 148,-0.2 2,-0.2 -0.691 27.9-121.2 -86.9 140.8 23.8 -47.4 8.5 7 8 A F - 0 0 13 146,-3.2 87,-0.2 -2,-0.3 89,-0.1 -0.566 35.9 -97.7 -73.3 143.2 25.5 -44.1 7.6 8 9 A Q >> - 0 0 44 85,-3.1 4,-1.8 -2,-0.2 3,-1.2 -0.375 44.3-106.9 -56.7 142.8 29.2 -44.3 6.6 9 10 A A H 3> S+ 0 0 57 1,-0.3 4,-1.6 2,-0.2 -1,-0.1 0.789 115.2 46.0 -49.1 -45.8 31.3 -43.5 9.6 10 11 A E H 3> S+ 0 0 55 2,-0.2 4,-2.4 1,-0.2 -1,-0.3 0.783 108.3 56.9 -73.0 -26.1 32.5 -40.0 8.6 11 12 A I H <> S+ 0 0 0 -3,-1.2 4,-2.8 2,-0.2 -2,-0.2 0.920 106.4 49.9 -70.1 -42.2 29.0 -38.9 7.5 12 13 A T H X S+ 0 0 40 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.904 111.3 49.8 -57.6 -43.8 27.7 -39.7 11.0 13 14 A Q H X S+ 0 0 98 -4,-1.6 4,-2.3 -5,-0.2 -2,-0.2 0.905 110.7 50.4 -60.9 -45.0 30.6 -37.6 12.4 14 15 A L H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.928 110.6 48.2 -59.6 -47.1 29.7 -34.8 10.0 15 16 A M H X S+ 0 0 0 -4,-2.8 4,-3.4 1,-0.2 5,-0.3 0.947 111.9 48.8 -61.5 -46.4 26.1 -34.8 11.0 16 17 A S H X S+ 0 0 61 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.894 111.5 50.8 -61.1 -39.1 26.9 -34.9 14.7 17 18 A L H < S+ 0 0 74 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.897 116.3 40.9 -60.5 -42.8 29.4 -32.0 14.2 18 19 A I H >< S+ 0 0 4 -4,-2.4 3,-0.7 1,-0.2 -2,-0.2 0.889 113.6 51.0 -75.2 -42.7 26.6 -30.0 12.3 19 20 A I H 3< S+ 0 0 38 -4,-3.4 2,-0.8 1,-0.3 -2,-0.2 0.891 113.4 48.4 -62.9 -39.7 23.7 -30.8 14.6 20 21 A N T 3< S+ 0 0 120 -4,-2.0 2,-0.4 -5,-0.3 -1,-0.3 -0.546 86.9 115.1-101.5 63.8 25.9 -29.8 17.6 21 22 A T < - 0 0 41 -2,-0.8 -3,-0.0 -3,-0.7 -4,-0.0 -0.995 52.6-158.4-133.1 131.5 27.2 -26.4 16.4 22 23 A V + 0 0 142 -2,-0.4 -1,-0.1 2,-0.0 -4,-0.1 0.361 43.0 157.0 -78.2 2.5 26.4 -23.0 17.8 23 24 A Y - 0 0 33 1,-0.1 3,-0.3 -5,-0.1 -2,-0.1 0.107 38.3-144.7 -38.6 145.6 27.3 -21.6 14.4 24 25 A S S S+ 0 0 118 1,-0.2 3,-0.2 2,-0.1 -1,-0.1 0.483 83.6 59.4-100.8 -6.7 25.8 -18.2 13.8 25 26 A N > + 0 0 49 1,-0.1 3,-1.2 2,-0.0 -1,-0.2 -0.433 55.4 145.5-122.0 55.0 24.9 -18.2 10.1 26 27 A K T > + 0 0 26 -3,-0.3 3,-2.5 1,-0.3 4,-0.2 0.737 51.1 86.5 -68.5 -22.4 22.6 -21.2 9.8 27 28 A E T >> + 0 0 15 1,-0.3 3,-1.7 -3,-0.2 4,-0.7 0.675 68.3 81.6 -55.7 -17.2 20.4 -19.6 7.1 28 29 A I H <> S+ 0 0 0 -3,-1.2 4,-2.1 1,-0.3 -1,-0.3 0.665 70.2 80.6 -68.7 -11.8 22.8 -20.9 4.5 29 30 A F H <> S+ 0 0 0 -3,-2.5 4,-2.2 1,-0.2 -1,-0.3 0.894 91.2 52.3 -55.6 -37.7 21.0 -24.3 4.7 30 31 A L H <> S+ 0 0 3 -3,-1.7 4,-2.4 1,-0.2 5,-0.2 0.904 105.5 51.9 -71.2 -39.1 18.4 -22.7 2.4 31 32 A R H X S+ 0 0 52 -4,-0.7 4,-2.5 1,-0.2 -1,-0.2 0.902 110.4 50.9 -59.2 -41.5 20.9 -21.6 -0.2 32 33 A E H X S+ 0 0 12 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.933 111.8 45.2 -62.5 -45.7 22.3 -25.2 -0.2 33 34 A L H X S+ 0 0 3 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.872 114.1 49.1 -68.5 -34.3 18.9 -26.8 -0.7 34 35 A I H X S+ 0 0 2 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.899 111.1 50.6 -70.6 -40.4 17.9 -24.3 -3.4 35 36 A S H X S+ 0 0 63 -4,-2.5 4,-2.0 -5,-0.2 -2,-0.2 0.886 111.0 48.3 -63.5 -39.7 21.2 -24.9 -5.2 36 37 A N H X S+ 0 0 61 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.917 110.9 51.3 -65.0 -40.8 20.6 -28.7 -5.0 37 38 A A H X S+ 0 0 2 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.926 109.9 49.4 -61.0 -43.7 17.1 -28.2 -6.4 38 39 A S H X S+ 0 0 23 -4,-2.5 4,-2.7 2,-0.2 -1,-0.2 0.872 109.5 51.9 -65.2 -37.5 18.5 -26.1 -9.2 39 40 A D H X S+ 0 0 73 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.947 110.3 48.6 -60.4 -46.5 21.1 -28.9 -9.9 40 41 A A H X S+ 0 0 16 -4,-2.7 4,-1.7 1,-0.2 41,-1.5 0.847 112.8 48.2 -64.1 -33.4 18.3 -31.4 -10.1 41 42 A L H X S+ 0 0 0 -4,-2.2 4,-2.2 39,-0.3 -1,-0.2 0.899 108.4 53.3 -73.4 -40.2 16.3 -29.2 -12.4 42 43 A D H X S+ 0 0 56 -4,-2.7 4,-2.9 1,-0.2 5,-0.2 0.901 109.6 52.2 -56.0 -40.5 19.4 -28.6 -14.6 43 44 A K H X S+ 0 0 105 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.893 109.6 43.9 -69.4 -42.6 19.7 -32.4 -14.9 44 45 A I H X S+ 0 0 1 -4,-1.7 4,-2.0 2,-0.2 -1,-0.2 0.879 116.3 50.2 -69.5 -34.3 16.1 -33.2 -15.9 45 46 A R H < S+ 0 0 120 -4,-2.2 4,-0.5 2,-0.2 -2,-0.2 0.940 112.8 44.5 -66.7 -48.2 16.3 -30.3 -18.4 46 47 A Y H >< S+ 0 0 175 -4,-2.9 3,-1.1 1,-0.2 4,-0.4 0.904 113.8 51.6 -60.9 -42.7 19.6 -31.5 -19.9 47 48 A K H >< S+ 0 0 77 -4,-2.3 3,-1.2 1,-0.3 -1,-0.2 0.872 103.3 57.9 -62.1 -38.5 18.3 -35.0 -20.0 48 49 A S G >< S+ 0 0 10 -4,-2.0 3,-0.7 1,-0.3 -1,-0.3 0.562 85.6 81.3 -74.5 -6.8 15.1 -33.9 -21.8 49 50 A L G < S+ 0 0 128 -3,-1.1 -1,-0.3 -4,-0.5 -2,-0.2 0.870 107.2 27.4 -60.4 -37.4 17.3 -32.5 -24.6 50 51 A S G < S+ 0 0 118 -3,-1.2 -1,-0.2 -4,-0.4 -2,-0.2 0.099 137.8 28.8-113.8 19.5 17.6 -36.0 -26.0 51 52 A D X - 0 0 68 -3,-0.7 3,-1.8 -4,-0.0 -1,-0.2 -0.289 62.5-179.7-178.8 73.4 14.3 -37.4 -24.7 52 53 A P G > S+ 0 0 90 0, 0.0 3,-1.7 0, 0.0 4,-0.3 0.731 75.1 76.1 -57.2 -26.2 11.7 -34.6 -24.3 53 54 A K G > S+ 0 0 68 1,-0.3 3,-1.4 2,-0.2 4,-0.3 0.699 76.9 76.2 -60.9 -20.5 9.1 -37.2 -22.9 54 55 A Q G X S+ 0 0 30 -3,-1.8 3,-0.7 1,-0.3 -1,-0.3 0.796 89.7 57.1 -62.6 -27.5 11.0 -37.2 -19.6 55 56 A L G X S+ 0 0 51 -3,-1.7 3,-2.0 1,-0.2 -1,-0.3 0.666 83.6 84.7 -74.6 -17.7 9.4 -33.8 -18.8 56 57 A E G < S+ 0 0 145 -3,-1.4 -1,-0.2 1,-0.3 -2,-0.1 0.646 76.6 65.7 -70.8 -15.8 5.8 -35.1 -19.2 57 58 A T G < S+ 0 0 67 -3,-0.7 -1,-0.3 1,-0.3 -2,-0.1 0.673 130.8 1.5 -74.2 -15.5 5.5 -36.4 -15.6 58 59 A E < - 0 0 35 -3,-2.0 -1,-0.3 109,-0.1 -2,-0.1 -0.453 69.9-174.5-171.2 84.4 5.8 -32.8 -14.5 59 60 A P + 0 0 88 0, 0.0 2,-0.4 0, 0.0 -3,-0.1 0.706 63.8 82.8 -67.1 -20.2 6.0 -30.3 -17.3 60 61 A D - 0 0 111 -4,-0.1 2,-0.7 -5,-0.1 0, 0.0 -0.740 67.1-151.7 -91.1 129.9 6.6 -27.3 -15.0 61 62 A L + 0 0 40 -2,-0.4 2,-0.3 17,-0.1 19,-0.1 -0.874 39.5 133.3-102.4 110.3 10.1 -26.6 -13.8 62 63 A F - 0 0 6 -2,-0.7 17,-1.4 140,-0.1 2,-0.4 -0.928 51.2-131.6-150.1 166.5 10.1 -24.9 -10.4 63 64 A I E -Bc 78 204A 0 140,-2.2 142,-3.7 -2,-0.3 2,-0.4 -0.997 30.5-169.6-122.9 130.7 11.3 -24.6 -6.8 64 65 A R E -Bc 77 205A 67 13,-3.1 13,-3.3 -2,-0.4 2,-0.5 -0.981 10.8-162.2-130.8 130.3 8.6 -24.3 -4.2 65 66 A I E -Bc 76 206A 0 140,-3.3 142,-2.9 -2,-0.4 11,-0.2 -0.936 10.3-177.9-114.2 129.0 8.9 -23.5 -0.5 66 67 A T E -B 75 0A 28 9,-2.6 9,-2.2 -2,-0.5 2,-0.3 -0.904 12.8-155.6-132.3 104.6 6.1 -24.3 1.9 67 68 A P E -B 74 0A 14 0, 0.0 7,-0.2 0, 0.0 3,-0.1 -0.606 2.3-166.4 -73.1 136.7 6.1 -23.5 5.6 68 69 A K E >>> +B 73 0A 45 5,-3.4 5,-1.9 -2,-0.3 3,-1.7 -0.722 10.9 179.1-120.8 76.8 3.8 -25.8 7.7 69 70 A P G >45S+ 0 0 67 0, 0.0 3,-0.7 0, 0.0 -1,-0.1 0.789 75.1 57.2 -48.8 -43.5 3.8 -23.7 10.9 70 71 A E G 345S+ 0 0 144 1,-0.3 -2,-0.0 -3,-0.1 0, 0.0 0.727 115.3 37.3 -68.5 -23.9 1.4 -26.0 12.8 71 72 A Q G <45S- 0 0 100 -3,-1.7 -1,-0.3 2,-0.2 3,-0.1 0.451 107.7-123.7-100.3 -4.0 3.8 -28.9 12.3 72 73 A K T <<5 + 0 0 83 -4,-0.8 104,-1.9 -3,-0.7 2,-0.3 0.906 68.2 137.8 58.3 42.3 6.9 -26.8 12.7 73 74 A V E < -BD 68 175A 0 -5,-1.9 -5,-3.4 102,-0.2 2,-0.4 -0.899 42.1-164.7-121.5 145.3 7.9 -28.1 9.2 74 75 A L E -BD 67 174A 1 100,-2.0 100,-3.0 -2,-0.3 2,-0.4 -0.993 12.0-161.4-128.6 124.6 9.4 -26.4 6.2 75 76 A E E -BD 66 173A 6 -9,-2.2 -9,-2.6 -2,-0.4 2,-0.5 -0.873 7.9-167.1-107.9 138.0 9.3 -28.2 2.8 76 77 A I E -BD 65 172A 4 96,-2.4 96,-2.8 -2,-0.4 2,-0.3 -0.979 17.5-175.7-121.4 117.1 11.5 -27.4 -0.2 77 78 A R E +BD 64 171A 26 -13,-3.3 -13,-3.1 -2,-0.5 2,-0.3 -0.853 10.4 178.8-115.6 146.5 10.3 -29.0 -3.4 78 79 A D E -BD 63 170A 11 92,-2.2 92,-1.7 -2,-0.3 -15,-0.2 -0.962 30.5-138.6-135.5 158.0 11.6 -29.1 -6.9 79 80 A S + 0 0 0 -17,-1.4 90,-0.2 -2,-0.3 -16,-0.1 -0.269 62.2 131.0-105.0 42.7 10.5 -30.8 -10.1 80 81 A G S S- 0 0 0 90,-0.1 -39,-0.3 -18,-0.1 -40,-0.1 0.148 79.9 -67.8 -74.7-160.0 14.0 -31.9 -10.9 81 82 A I - 0 0 50 -41,-1.5 59,-0.6 1,-0.1 88,-0.3 0.737 67.6-155.2 -69.8 -24.4 15.1 -35.3 -12.0 82 83 A G - 0 0 3 86,-0.2 2,-0.4 57,-0.2 57,-0.2 -0.052 16.1 -91.3 68.2 180.0 14.5 -36.9 -8.6 83 84 A M - 0 0 44 86,-0.4 56,-0.4 62,-0.1 62,-0.2 -0.985 23.6-127.4-135.6 143.8 16.2 -40.0 -7.3 84 85 A T > - 0 0 19 -2,-0.4 4,-2.8 54,-0.1 5,-0.2 -0.318 36.9-102.4 -77.0 166.9 15.6 -43.7 -7.4 85 86 A K H > S+ 0 0 51 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.929 125.3 48.6 -53.3 -48.4 15.6 -46.0 -4.3 86 87 A A H > S+ 0 0 63 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.876 111.0 50.7 -63.9 -38.0 19.1 -47.2 -5.3 87 88 A E H > S+ 0 0 80 2,-0.2 4,-2.9 1,-0.2 5,-0.4 0.931 109.9 49.8 -64.4 -44.0 20.3 -43.6 -5.8 88 89 A V H X S+ 0 0 3 -4,-2.8 4,-1.8 1,-0.2 -2,-0.2 0.949 114.3 44.5 -59.5 -49.9 19.0 -42.5 -2.4 89 90 A I H <>S+ 0 0 27 -4,-2.5 5,-1.4 -5,-0.2 6,-0.3 0.909 120.4 40.2 -61.0 -45.6 20.6 -45.5 -0.6 90 91 A N H <>S+ 0 0 87 -4,-2.5 5,-1.0 -5,-0.2 3,-0.4 0.936 124.2 33.0 -70.2 -47.8 24.0 -45.1 -2.5 91 92 A N H <5S+ 0 0 104 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.590 113.6 55.2 -92.1 -15.7 24.3 -41.3 -2.6 92 93 A I T <5S- 0 0 13 -4,-1.8 -1,-0.2 -5,-0.4 -2,-0.1 -0.366 127.0 -30.2-120.4 53.9 22.7 -40.2 0.7 93 94 A G T 5S+ 0 0 0 -3,-0.4 -85,-3.1 2,-0.3 -82,-0.2 -0.113 114.3 70.9 145.5 -49.3 24.5 -42.0 3.4 94 95 A T T - 0 0 84 -4,-0.1 3,-1.4 -89,-0.0 2,-1.0 -0.888 9.0-120.7-108.3 130.3 31.8 -39.0 0.3 98 99 A S T 3 S+ 0 0 110 -2,-0.5 -1,-0.0 1,-0.2 -2,-0.0 -0.592 104.1 19.6 -55.8 96.7 34.4 -37.0 -1.4 99 100 A G T 3> S+ 0 0 15 -2,-1.0 4,-3.0 22,-0.1 5,-0.3 0.002 88.1 106.9 134.5 -10.4 34.8 -34.1 0.9 100 101 A T H <> S+ 0 0 1 -3,-1.4 4,-2.0 1,-0.2 5,-0.1 0.941 89.6 35.8 -52.9 -59.3 33.3 -35.3 4.2 101 102 A K H > S+ 0 0 73 -4,-0.5 4,-2.1 1,-0.2 -1,-0.2 0.867 117.9 52.6 -67.0 -37.7 36.6 -35.6 6.1 102 103 A A H > S+ 0 0 47 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.868 108.1 51.0 -67.2 -36.3 38.2 -32.6 4.3 103 104 A F H X S+ 0 0 0 -4,-3.0 4,-2.6 2,-0.2 -2,-0.2 0.928 109.7 50.1 -66.4 -42.5 35.3 -30.4 5.2 104 105 A M H X S+ 0 0 18 -4,-2.0 4,-2.4 -5,-0.3 -2,-0.2 0.903 111.1 48.8 -60.2 -41.4 35.5 -31.4 8.9 105 106 A E H X S+ 0 0 124 -4,-2.1 4,-0.9 2,-0.2 -1,-0.2 0.903 110.1 51.7 -66.9 -37.8 39.2 -30.7 8.9 106 107 A A H >X>S+ 0 0 22 -4,-2.3 5,-2.7 1,-0.2 3,-0.6 0.909 109.1 50.7 -64.1 -41.7 38.5 -27.3 7.3 107 108 A L H ><5S+ 0 0 37 -4,-2.6 3,-1.6 1,-0.2 -2,-0.2 0.931 106.5 54.9 -57.9 -46.9 36.0 -26.6 10.0 108 109 A S H 3<5S+ 0 0 112 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.727 107.7 51.1 -56.9 -25.1 38.6 -27.5 12.6 109 110 A A H <<5S- 0 0 91 -4,-0.9 -1,-0.3 -3,-0.6 -2,-0.2 0.495 132.4 -85.4 -97.4 -4.3 40.9 -25.0 11.1 110 111 A G T <<5S+ 0 0 66 -3,-1.6 -3,-0.2 -4,-0.5 -2,-0.1 0.444 70.6 158.3 117.8 3.7 38.4 -22.1 11.2 111 112 A A < - 0 0 29 -5,-2.7 2,-0.4 -6,-0.2 -1,-0.2 -0.213 46.0-111.3 -57.8 148.1 36.4 -22.5 8.0 112 113 A D > - 0 0 75 1,-0.1 3,-2.7 -89,-0.0 4,-0.1 -0.669 18.4-128.8 -79.1 132.6 33.0 -21.0 7.7 113 114 A V G > S+ 0 0 9 -2,-0.4 3,-2.2 1,-0.3 4,-0.2 0.761 105.2 77.7 -53.4 -23.9 30.2 -23.6 7.6 114 115 A S G > S+ 0 0 27 1,-0.3 3,-0.7 2,-0.1 -1,-0.3 0.741 82.1 67.1 -55.1 -22.8 29.0 -21.6 4.6 115 116 A M G X> + 0 0 67 -3,-2.7 3,-1.3 1,-0.2 4,-0.6 0.520 69.1 101.5 -77.4 -6.8 31.8 -23.4 2.7 116 117 A I G X4>S+ 0 0 0 -3,-2.2 5,-1.6 1,-0.3 3,-0.9 0.781 76.3 55.0 -55.1 -33.1 30.1 -26.8 3.1 117 118 A G G X45S+ 0 0 30 -3,-0.7 3,-1.5 1,-0.2 -1,-0.3 0.810 97.3 63.5 -72.8 -30.0 28.7 -26.8 -0.5 118 119 A Q G <45S+ 0 0 156 -3,-1.3 -1,-0.2 1,-0.3 -2,-0.2 0.695 102.7 51.5 -64.7 -17.6 32.2 -26.3 -1.9 119 120 A F G <<5S- 0 0 56 -3,-0.9 -1,-0.3 -4,-0.6 -2,-0.2 0.322 116.8-115.5 -99.7 2.8 33.1 -29.7 -0.4 120 121 A G T < 5S+ 0 0 42 -3,-1.5 -3,-0.2 -21,-0.1 -2,-0.1 0.692 93.7 96.3 74.6 20.3 30.1 -31.4 -2.0 121 122 A V > < + 0 0 2 -5,-1.6 3,-1.4 -22,-0.1 -4,-0.2 0.063 35.9 125.0-126.8 25.8 28.3 -32.2 1.2 122 123 A G G > + 0 0 5 1,-0.3 3,-1.9 -6,-0.2 4,-0.3 0.692 57.4 77.6 -62.3 -22.9 25.9 -29.3 1.6 123 124 A F G > S+ 0 0 28 1,-0.3 3,-1.8 2,-0.2 -1,-0.3 0.911 88.9 60.1 -49.1 -41.4 22.8 -31.5 1.9 124 125 A Y G X S+ 0 0 8 -3,-1.4 3,-1.6 1,-0.3 -1,-0.3 0.614 80.3 83.7 -72.3 -8.3 23.9 -32.1 5.5 125 126 A S G X S+ 0 0 0 -3,-1.9 3,-2.1 1,-0.3 4,-0.4 0.688 70.7 81.4 -62.4 -17.0 23.6 -28.4 6.3 126 127 A L G X> S+ 0 0 0 -3,-1.8 4,-1.6 1,-0.3 3,-1.4 0.812 78.6 67.8 -61.9 -26.6 19.9 -29.0 6.8 127 128 A F G <4 S+ 0 0 0 -3,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.571 80.5 76.9 -73.8 -7.5 20.8 -30.3 10.3 128 129 A L G <4 S+ 0 0 0 -3,-2.1 -1,-0.3 1,-0.1 -2,-0.2 0.875 116.5 15.7 -58.2 -38.4 21.8 -26.8 11.3 129 130 A V T <4 S+ 0 0 0 -3,-1.4 48,-2.8 -4,-0.4 2,-0.4 0.562 124.5 57.9-117.3 -10.6 18.1 -26.0 11.6 130 131 A A E < -E 176 0A 0 -4,-1.6 46,-0.2 46,-0.3 -1,-0.1 -0.948 48.7-165.7-126.6 141.6 16.3 -29.4 11.7 131 132 A D E S+ 0 0 77 44,-1.6 2,-0.3 -2,-0.4 45,-0.1 0.414 85.7 29.5-100.4 0.8 16.7 -32.3 14.0 132 133 A R E -E 175 0A 94 43,-0.7 43,-2.5 -6,-0.1 2,-0.4 -0.977 67.3-169.6-160.7 139.5 14.8 -34.6 11.6 133 134 A V E -EF 174 149A 0 16,-2.4 16,-1.9 -2,-0.3 2,-0.5 -0.997 11.3-163.8-139.9 136.7 14.4 -34.8 7.9 134 135 A Q E -EF 173 148A 24 39,-2.4 39,-3.2 -2,-0.4 2,-0.6 -0.989 10.4-163.8-112.5 125.7 12.2 -36.7 5.4 135 136 A M E -EF 172 147A 5 12,-3.5 12,-3.3 -2,-0.5 2,-0.5 -0.956 6.4-169.5-107.8 118.9 13.4 -36.7 1.9 136 137 A I E +EF 171 146A 0 35,-2.9 35,-3.2 -2,-0.6 2,-0.4 -0.918 12.9 175.4-109.2 124.7 10.6 -37.7 -0.5 137 138 A S E -EF 170 145A 1 8,-2.2 8,-2.2 -2,-0.5 2,-0.5 -0.988 21.9-171.2-142.7 140.7 11.6 -38.4 -4.1 138 139 A K E -E 169 0A 39 31,-3.0 31,-2.7 -2,-0.4 2,-0.3 -0.969 9.1-174.0-129.9 113.5 10.2 -39.6 -7.3 139 140 A S > - 0 0 4 4,-0.5 3,-1.6 -2,-0.5 -57,-0.2 -0.768 37.6-118.0 -99.5 152.8 12.4 -40.3 -10.4 140 141 A N T 3 S+ 0 0 41 -59,-0.6 -1,-0.1 -2,-0.3 -58,-0.1 0.762 115.7 55.9 -55.3 -23.6 10.8 -41.3 -13.7 141 142 A D T 3 S+ 0 0 114 2,-0.1 -1,-0.3 0, 0.0 2,-0.2 0.523 113.9 23.6 -91.9 -6.5 12.7 -44.5 -13.3 142 143 A D S < S- 0 0 45 -3,-1.6 2,-0.1 1,-0.1 -58,-0.0 -0.797 82.6 -85.3-145.0-176.9 11.3 -45.6 -9.9 143 144 A E - 0 0 120 -2,-0.2 -4,-0.5 1,-0.1 2,-0.4 -0.332 59.3 -79.6 -85.8 176.0 8.5 -45.4 -7.4 144 145 A Q - 0 0 3 16,-0.2 16,-2.9 -6,-0.2 2,-0.3 -0.674 54.3-173.5 -83.0 129.0 8.1 -42.7 -4.8 145 146 A Y E -FG 137 159A 35 -8,-2.2 -8,-2.2 -2,-0.4 2,-0.5 -0.888 20.1-139.3-123.6 152.6 10.3 -43.3 -1.7 146 147 A I E -FG 136 158A 14 12,-2.9 12,-2.5 -2,-0.3 2,-0.5 -0.956 12.4-166.9-111.9 120.5 10.8 -41.7 1.7 147 148 A W E -FG 135 157A 1 -12,-3.3 -12,-3.5 -2,-0.5 2,-0.4 -0.887 16.0-175.1 -98.8 131.4 14.4 -41.3 3.1 148 149 A E E +FG 134 156A 48 8,-2.6 8,-2.3 -2,-0.5 2,-0.3 -0.991 12.4 164.0-134.7 141.5 14.4 -40.4 6.8 149 150 A S E -F 133 0A 3 -16,-1.9 -16,-2.4 -2,-0.4 6,-0.1 -0.980 28.1-167.6-151.3 141.4 17.0 -39.5 9.4 150 151 A N - 0 0 111 4,-0.5 5,-0.1 -2,-0.3 -18,-0.1 -0.054 67.7 -96.2-109.1 26.9 17.2 -37.9 12.9 151 152 A A S S+ 0 0 16 3,-0.1 -132,-0.1 1,-0.1 4,-0.1 0.528 87.6 128.6 73.2 6.8 21.0 -37.6 12.5 152 153 A G S S- 0 0 31 2,-0.3 -1,-0.1 1,-0.1 -137,-0.1 0.182 83.6 -81.7 -64.6-159.3 21.6 -40.8 14.4 153 154 A G S S+ 0 0 37 -3,-0.1 -146,-3.2 -147,-0.1 2,-0.3 0.399 108.7 50.5 -91.7 3.8 23.9 -43.4 12.8 154 155 A S E -A 6 0A 51 -148,-0.3 -4,-0.5 -142,-0.1 -2,-0.3 -0.943 58.3-163.1-139.9 159.0 21.2 -44.8 10.6 155 156 A F E -A 5 0A 2 -150,-2.5 -150,-2.9 -2,-0.3 2,-0.3 -0.913 16.0-133.2-133.4 164.5 18.5 -43.7 8.1 156 157 A T E -AG 4 148A 33 -8,-2.3 -8,-2.6 -2,-0.3 2,-0.4 -0.897 5.8-158.5-119.6 152.0 15.4 -45.5 6.7 157 158 A V E +AG 3 147A 3 -154,-2.3 -154,-2.2 -2,-0.3 2,-0.4 -0.993 19.5 178.0-127.1 122.8 14.1 -45.8 3.2 158 159 A T E -AG 2 146A 25 -12,-2.5 -12,-2.9 -2,-0.4 -156,-0.2 -0.977 36.8-109.8-130.5 136.1 10.4 -46.6 2.8 159 160 A L E - G 0 145A 73 -158,-0.5 2,-0.8 -2,-0.4 -14,-0.2 -0.431 48.5-114.9 -58.5 134.6 8.1 -47.0 -0.2 160 161 A D + 0 0 2 -16,-2.9 -16,-0.2 1,-0.1 -1,-0.1 -0.669 58.9 142.6 -90.7 107.6 5.8 -43.9 -0.1 161 162 A E S S+ 0 0 160 -2,-0.8 -1,-0.1 1,-0.0 -2,-0.1 0.029 70.6 53.9-122.6 23.6 2.2 -44.7 0.6 162 163 A V S S+ 0 0 119 2,-0.1 2,-0.2 0, 0.0 -2,-0.1 0.511 89.9 72.3-136.0 -8.9 1.4 -41.7 2.8 163 164 A N S S- 0 0 24 1,-0.1 3,-0.1 3,-0.0 -3,-0.0 -0.725 88.5 -82.1-110.9 162.9 2.5 -38.4 1.1 164 165 A E - 0 0 99 -2,-0.2 2,-0.3 1,-0.1 -1,-0.1 -0.209 57.9 -98.2 -53.3 146.9 1.1 -36.4 -1.8 165 166 A R - 0 0 139 -3,-0.1 2,-0.5 -21,-0.0 -1,-0.1 -0.564 30.3-148.3 -70.2 130.5 2.2 -37.7 -5.2 166 167 A I - 0 0 6 -2,-0.3 3,-0.2 1,-0.2 -108,-0.0 -0.873 5.5-148.9 -91.3 131.1 5.1 -35.9 -6.7 167 168 A G S S- 0 0 28 -2,-0.5 2,-0.3 1,-0.3 -1,-0.2 0.966 79.3 -31.8 -63.2 -48.4 4.8 -36.0 -10.5 168 169 A R S S+ 0 0 0 -3,-0.1 -1,-0.3 -90,-0.1 2,-0.3 -0.893 108.3 45.4-167.9 137.8 8.6 -36.0 -10.6 169 170 A G E S- E 0 138A 0 -31,-2.7 -31,-3.0 -2,-0.3 -86,-0.4 -0.917 74.3 -61.6 129.1-149.7 11.2 -34.5 -8.3 170 171 A T E -DE 78 137A 11 -92,-1.7 -92,-2.2 -2,-0.3 2,-0.5 -0.988 21.1-156.9-147.0 142.4 12.0 -34.2 -4.6 171 172 A I E -DE 77 136A 1 -35,-3.2 -35,-2.9 -2,-0.3 2,-0.7 -0.993 9.1-158.4-121.9 123.7 10.5 -32.8 -1.4 172 173 A L E -DE 76 135A 14 -96,-2.8 -96,-2.4 -2,-0.5 2,-0.7 -0.920 11.5-164.5 -96.4 115.5 12.8 -32.0 1.5 173 174 A R E -DE 75 134A 23 -39,-3.2 -39,-2.4 -2,-0.7 2,-0.6 -0.898 5.0-163.1-107.5 106.2 10.7 -32.0 4.6 174 175 A L E -DE 74 133A 0 -100,-3.0 -100,-2.0 -2,-0.7 2,-1.1 -0.805 13.9-152.8 -96.0 120.2 12.5 -30.3 7.4 175 176 A F E -DE 73 132A 37 -43,-2.5 -44,-1.6 -2,-0.6 -43,-0.7 -0.771 32.3-139.4 -87.2 97.6 11.3 -30.8 11.0 176 177 A L E - E 0 130A 6 -104,-1.9 -46,-0.3 -2,-1.1 2,-0.1 -0.227 7.6-114.6 -66.4 143.4 12.6 -27.5 12.5 177 178 A K > - 0 0 26 -48,-2.8 3,-2.3 1,-0.1 -1,-0.1 -0.413 34.3-107.9 -66.8 152.4 14.3 -27.2 15.9 178 179 A D T 3 S+ 0 0 117 1,-0.3 3,-0.5 2,-0.1 -1,-0.1 0.738 119.4 50.8 -57.9 -25.4 12.3 -25.0 18.4 179 180 A D T 3 S+ 0 0 103 1,-0.2 -1,-0.3 2,-0.1 3,-0.2 0.336 103.9 59.0 -95.6 7.8 14.9 -22.2 18.1 180 181 A Q X + 0 0 14 -3,-2.3 3,-1.1 -51,-0.2 -1,-0.2 -0.047 62.5 118.6-124.9 31.5 14.8 -22.1 14.3 181 182 A L G > + 0 0 58 -3,-0.5 3,-1.9 1,-0.2 4,-0.3 0.573 53.2 86.6 -75.5 -9.3 11.1 -21.3 13.8 182 183 A E G > S+ 0 0 70 1,-0.3 3,-1.5 2,-0.2 6,-0.3 0.773 76.1 69.2 -60.3 -24.9 12.0 -18.1 12.0 183 184 A Y G < S+ 0 0 9 -3,-1.1 -1,-0.3 1,-0.3 -2,-0.1 0.447 86.7 66.7 -79.3 2.4 12.3 -20.0 8.8 184 185 A L G < S+ 0 0 23 -3,-1.9 2,-0.4 -117,-0.1 -1,-0.3 0.595 83.4 97.3 -86.1 -14.7 8.6 -20.6 8.8 185 186 A E S <> S- 0 0 112 -3,-1.5 4,-2.5 -4,-0.3 5,-0.2 -0.628 71.1-142.0 -89.3 129.0 8.0 -16.8 8.3 186 187 A E H > S+ 0 0 88 -2,-0.4 4,-2.3 1,-0.2 5,-0.2 0.904 101.4 51.6 -48.1 -51.3 7.4 -15.4 4.8 187 188 A K H > S+ 0 0 154 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.909 111.1 45.7 -56.2 -47.3 9.5 -12.3 5.5 188 189 A R H > S+ 0 0 33 -6,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.923 110.5 54.0 -66.1 -43.3 12.5 -14.2 6.7 189 190 A I H X S+ 0 0 1 -4,-2.5 4,-2.3 -7,-0.2 -1,-0.2 0.915 108.0 49.6 -57.2 -45.8 12.4 -16.7 3.8 190 191 A K H X S+ 0 0 87 -4,-2.3 4,-2.4 -5,-0.2 -1,-0.2 0.887 108.5 54.3 -61.3 -40.2 12.4 -13.9 1.3 191 192 A E H X S+ 0 0 67 -4,-1.8 4,-2.0 -5,-0.2 -1,-0.2 0.928 109.6 46.5 -56.1 -49.4 15.4 -12.3 3.0 192 193 A V H X S+ 0 0 1 -4,-2.2 4,-2.6 2,-0.2 5,-0.4 0.907 113.2 48.3 -65.3 -43.9 17.5 -15.5 2.8 193 194 A I H X S+ 0 0 26 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.923 113.0 47.5 -60.5 -45.3 16.6 -16.1 -0.8 194 195 A K H < S+ 0 0 145 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.846 116.0 46.2 -68.8 -30.7 17.4 -12.5 -1.8 195 196 A R H < S+ 0 0 129 -4,-2.0 -2,-0.2 -5,-0.2 3,-0.2 0.917 130.8 15.1 -75.7 -44.2 20.7 -12.6 0.1 196 197 A H H < S+ 0 0 52 -4,-2.6 -3,-0.2 -5,-0.2 -2,-0.2 0.612 126.5 46.4-112.9 -13.2 22.0 -16.0 -1.1 197 198 A S < + 0 0 13 -4,-2.5 3,-0.2 -5,-0.4 -1,-0.1 -0.257 59.9 134.9-127.6 46.7 20.1 -17.1 -4.1 198 199 A E S S+ 0 0 144 1,-0.2 2,-0.7 -3,-0.2 -1,-0.1 0.838 71.4 52.0 -63.0 -33.4 19.9 -13.9 -6.4 199 200 A F + 0 0 180 -3,-0.2 2,-0.4 2,-0.0 -1,-0.2 -0.788 67.3 142.2-116.0 88.9 20.8 -15.9 -9.5 200 201 A V - 0 0 42 -2,-0.7 4,-0.1 -3,-0.2 -165,-0.0 -0.993 40.6-150.2-128.1 132.4 18.5 -18.9 -10.0 201 202 A A S S+ 0 0 78 -2,-0.4 -1,-0.1 2,-0.1 -2,-0.0 0.619 79.0 65.6 -77.3 -12.1 17.3 -19.9 -13.5 202 203 A Y S S- 0 0 16 1,-0.0 -140,-0.1 -140,-0.0 -2,-0.1 -0.802 93.8 -97.5-113.0 151.1 14.1 -21.4 -12.2 203 204 A P - 0 0 74 0, 0.0 -140,-2.2 0, 0.0 2,-0.6 -0.415 30.4-145.8 -65.5 139.3 11.1 -19.7 -10.6 204 205 A I E -c 63 0A 49 -142,-0.2 2,-0.4 -4,-0.1 -140,-0.2 -0.956 17.2-161.9-104.2 119.0 11.1 -19.9 -6.8 205 206 A Q E -c 64 0A 72 -142,-3.7 -140,-3.3 -2,-0.6 2,-0.5 -0.836 6.2-157.5-104.9 136.4 7.6 -20.2 -5.4 206 207 A L E -c 65 0A 47 -2,-0.4 2,-0.7 -142,-0.2 -140,-0.2 -0.958 9.0-147.5-114.8 126.7 6.6 -19.4 -1.9 207 208 A V - 0 0 53 -142,-2.9 2,-0.4 -2,-0.5 -2,-0.0 -0.835 20.0-174.6 -98.7 117.3 3.4 -21.0 -0.5 208 209 A V - 0 0 66 -2,-0.7 2,-0.5 -142,-0.1 -2,-0.0 -0.935 13.1-154.7-120.3 133.2 1.7 -18.7 2.0 209 210 A T + 0 0 129 -2,-0.4 2,-0.4 -142,-0.1 -2,-0.0 -0.901 20.9 170.8-107.5 125.5 -1.4 -19.5 4.1 210 211 A K - 0 0 166 -2,-0.5 2,-0.2 0, 0.0 -2,-0.0 -0.996 33.1-114.6-139.3 144.9 -3.6 -16.7 5.4 211 212 A E - 0 0 153 -2,-0.4 2,-0.5 1,-0.1 -2,-0.0 -0.457 31.0-125.4 -73.5 139.4 -6.9 -16.3 7.1 212 213 A V 0 0 125 -2,-0.2 -1,-0.1 1,-0.1 0, 0.0 -0.761 360.0 360.0 -87.1 129.1 -9.7 -14.6 5.2 213 214 A E 0 0 194 -2,-0.5 -1,-0.1 0, 0.0 0, 0.0 0.010 360.0 360.0-143.3 360.0 -11.3 -11.7 7.0