==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-MAR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CHAPERONE 30-APR-12 4ASA . COMPND 2 MOLECULE: ATP-DEPENDENT MOLECULAR CHAPERONE HSP82; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR S.M.ROE,C.PRODROMOU . 213 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10800.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 151 70.9 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 . 15 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 15.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 51 23.9 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 0 135 0, 0.0 2,-0.7 0, 0.0 158,-0.5 0.000 360.0 360.0 360.0 135.2 -8.3 52.2 5.7 2 3 A S E -A 158 0A 72 156,-0.1 2,-0.3 154,-0.0 156,-0.2 -0.893 360.0-149.3 -99.3 117.1 -11.3 49.9 6.3 3 4 A E E -A 157 0A 95 154,-1.7 154,-2.3 -2,-0.7 2,-0.4 -0.644 17.0-145.7 -72.6 139.5 -14.7 51.1 5.4 4 5 A T E -A 156 0A 78 -2,-0.3 2,-0.3 152,-0.2 152,-0.2 -0.873 15.1-170.6-109.1 144.9 -17.4 49.6 7.7 5 6 A F E -A 155 0A 34 150,-2.9 150,-2.2 -2,-0.4 2,-0.4 -0.945 21.2-121.1-134.1 153.7 -21.0 48.7 6.6 6 7 A E E -A 154 0A 138 -2,-0.3 148,-0.3 148,-0.2 2,-0.2 -0.760 26.3-123.7 -95.8 138.2 -24.1 47.7 8.4 7 8 A F - 0 0 13 146,-3.0 87,-0.2 -2,-0.4 86,-0.1 -0.516 35.8-100.4 -70.3 143.8 -25.7 44.3 7.6 8 9 A Q >> - 0 0 42 85,-3.3 4,-1.8 -2,-0.2 3,-0.9 -0.415 43.3-110.2 -57.2 144.5 -29.4 44.5 6.6 9 10 A A H 3> S+ 0 0 70 1,-0.3 4,-1.8 2,-0.2 -1,-0.1 0.808 113.8 50.2 -63.3 -34.1 -31.4 43.6 9.8 10 11 A E H 3> S+ 0 0 51 2,-0.2 4,-3.1 1,-0.2 -1,-0.3 0.811 107.2 55.2 -74.4 -26.7 -32.7 40.2 8.7 11 12 A I H <> S+ 0 0 0 -3,-0.9 4,-3.4 2,-0.2 5,-0.3 0.938 108.4 48.3 -68.3 -46.9 -29.2 39.0 7.6 12 13 A T H X S+ 0 0 42 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.921 112.5 49.0 -51.6 -48.8 -27.9 39.8 11.0 13 14 A Q H X S+ 0 0 111 -4,-1.8 4,-2.3 -5,-0.2 -2,-0.2 0.953 110.9 50.8 -63.4 -43.4 -30.8 37.9 12.4 14 15 A L H X S+ 0 0 0 -4,-3.1 4,-1.9 1,-0.2 -2,-0.2 0.930 110.2 48.3 -57.5 -45.6 -30.1 35.0 10.0 15 16 A M H X S+ 0 0 0 -4,-3.4 4,-2.7 1,-0.2 -1,-0.2 0.906 108.5 55.1 -66.4 -34.4 -26.4 34.8 11.1 16 17 A S H X S+ 0 0 59 -4,-2.2 4,-1.5 -5,-0.3 -1,-0.2 0.926 107.4 48.8 -64.3 -41.2 -27.4 34.9 14.7 17 18 A L H < S+ 0 0 75 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.939 115.8 43.6 -54.2 -49.0 -29.7 31.8 14.2 18 19 A I H >< S+ 0 0 2 -4,-1.9 3,-0.5 1,-0.2 -2,-0.2 0.864 110.4 53.8 -72.1 -41.8 -27.0 29.9 12.4 19 20 A I H 3< S+ 0 0 35 -4,-2.7 2,-0.7 1,-0.3 -1,-0.2 0.870 112.8 45.5 -57.2 -37.0 -24.1 30.8 14.8 20 21 A N T 3< S+ 0 0 121 -4,-1.5 2,-0.4 -5,-0.2 -1,-0.3 -0.656 87.3 124.8-112.6 62.2 -26.2 29.6 17.8 21 22 A T < - 0 0 34 -2,-0.7 -3,-0.0 -3,-0.5 -4,-0.0 -0.941 51.6-157.7-138.9 120.8 -27.4 26.3 16.5 22 23 A V + 0 0 150 -2,-0.4 -1,-0.1 2,-0.0 -4,-0.1 0.445 46.4 148.2 -55.7 -8.7 -27.1 22.8 18.0 23 24 A Y - 0 0 32 1,-0.1 3,-0.3 -5,-0.1 -2,-0.1 0.056 40.9-149.9 -46.1 141.0 -27.7 21.4 14.4 24 25 A S S S+ 0 0 120 1,-0.2 -1,-0.1 2,-0.1 3,-0.1 0.263 80.9 63.5-105.0 15.6 -25.9 18.1 13.8 25 26 A N > + 0 0 50 1,-0.1 3,-1.2 2,-0.0 -1,-0.2 -0.400 53.8 143.7-129.6 54.0 -25.1 18.1 10.0 26 27 A K T > + 0 0 28 -3,-0.3 3,-2.1 1,-0.3 4,-0.2 0.598 51.2 85.9 -73.7 -11.5 -22.8 21.2 9.8 27 28 A E T >> + 0 0 16 1,-0.3 3,-1.8 2,-0.2 4,-0.7 0.683 68.3 81.7 -65.1 -13.9 -20.6 19.6 7.0 28 29 A I H <> S+ 0 0 0 -3,-1.2 4,-2.2 1,-0.3 -1,-0.3 0.705 71.8 79.6 -69.9 -14.8 -23.1 20.9 4.5 29 30 A F H <> S+ 0 0 0 -3,-2.1 4,-2.2 1,-0.2 -1,-0.3 0.863 93.2 48.8 -56.1 -35.4 -21.2 24.2 4.8 30 31 A L H <> S+ 0 0 1 -3,-1.8 4,-2.3 2,-0.2 5,-0.2 0.859 106.2 54.7 -77.0 -34.9 -18.6 22.7 2.5 31 32 A R H X S+ 0 0 51 -4,-0.7 4,-2.2 1,-0.2 -1,-0.2 0.926 110.9 47.8 -58.8 -42.7 -21.2 21.6 -0.1 32 33 A E H X S+ 0 0 12 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.914 112.3 47.0 -67.6 -44.5 -22.4 25.2 -0.2 33 34 A L H X S+ 0 0 4 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.882 113.7 47.9 -67.5 -38.6 -19.0 26.8 -0.6 34 35 A I H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 -1,-0.2 0.904 112.1 49.8 -64.3 -42.2 -18.0 24.3 -3.3 35 36 A S H X S+ 0 0 53 -4,-2.2 4,-2.2 -5,-0.2 -2,-0.2 0.892 111.1 48.6 -66.6 -37.8 -21.2 24.9 -5.1 36 37 A N H X S+ 0 0 56 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.855 110.1 52.7 -66.1 -37.6 -20.8 28.7 -4.9 37 38 A A H X S+ 0 0 2 -4,-1.8 4,-2.1 2,-0.2 3,-0.4 0.965 109.1 49.1 -62.6 -51.1 -17.3 28.3 -6.2 38 39 A S H X S+ 0 0 21 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.891 107.9 54.9 -55.4 -39.6 -18.6 26.2 -9.2 39 40 A D H X S+ 0 0 77 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.882 109.7 46.9 -57.8 -43.6 -21.3 29.0 -9.8 40 41 A A H X S+ 0 0 17 -4,-1.9 4,-1.6 -3,-0.4 41,-1.3 0.814 110.8 51.1 -70.6 -37.9 -18.5 31.6 -10.1 41 42 A L H X S+ 0 0 0 -4,-2.1 4,-2.3 39,-0.3 5,-0.2 0.908 108.2 53.2 -63.9 -44.0 -16.4 29.3 -12.3 42 43 A D H X S+ 0 0 60 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.924 108.5 51.6 -53.2 -45.2 -19.6 28.9 -14.6 43 44 A K H X S+ 0 0 124 -4,-1.8 4,-2.5 2,-0.2 -1,-0.2 0.867 110.3 45.0 -68.3 -39.3 -19.9 32.7 -14.9 44 45 A I H X S+ 0 0 1 -4,-1.6 4,-1.6 2,-0.2 -1,-0.2 0.911 115.1 48.7 -70.6 -37.3 -16.3 33.4 -15.9 45 46 A R H < S+ 0 0 113 -4,-2.3 4,-0.4 2,-0.2 -2,-0.2 0.941 114.2 46.6 -64.6 -44.3 -16.3 30.6 -18.4 46 47 A Y H >< S+ 0 0 177 -4,-2.7 3,-1.6 1,-0.2 4,-0.4 0.928 110.4 51.8 -63.3 -51.0 -19.7 31.8 -19.8 47 48 A K H >< S+ 0 0 81 -4,-2.5 3,-1.1 1,-0.3 -1,-0.2 0.840 105.4 57.6 -49.7 -37.3 -18.6 35.5 -20.0 48 49 A S T 3< S+ 0 0 12 -4,-1.6 -1,-0.3 1,-0.2 3,-0.2 0.570 81.7 83.5 -82.3 -7.5 -15.5 34.4 -21.9 49 50 A L T < S+ 0 0 130 -3,-1.6 -1,-0.2 -4,-0.4 -2,-0.2 0.864 112.0 21.2 -55.9 -34.9 -17.5 32.7 -24.7 50 51 A S S < S+ 0 0 117 -3,-1.1 -1,-0.2 -4,-0.4 -2,-0.2 0.170 136.1 39.5-120.1 11.4 -17.8 36.3 -26.2 51 52 A D > + 0 0 65 -3,-0.2 3,-1.8 -4,-0.2 4,-0.2 -0.468 61.2 173.5-158.1 70.1 -14.8 37.8 -24.5 52 53 A P G > S+ 0 0 93 0, 0.0 3,-1.5 0, 0.0 4,-0.3 0.727 73.0 75.3 -59.0 -19.0 -11.9 35.2 -24.4 53 54 A K G > S+ 0 0 78 1,-0.3 3,-2.1 2,-0.2 4,-0.4 0.823 80.1 72.3 -59.4 -29.4 -9.5 37.8 -22.9 54 55 A Q G < S+ 0 0 31 -3,-1.8 3,-0.5 1,-0.3 -1,-0.3 0.753 90.7 57.5 -64.9 -25.7 -11.3 37.5 -19.6 55 56 A L G X S+ 0 0 49 -3,-1.5 3,-1.2 -4,-0.2 -1,-0.3 0.611 87.0 78.7 -72.9 -17.9 -9.7 34.1 -19.0 56 57 A E T < S+ 0 0 144 -3,-2.1 -1,-0.2 -4,-0.3 -2,-0.2 0.691 77.0 67.7 -80.4 -21.9 -6.0 35.3 -19.3 57 58 A T T 3 S+ 0 0 69 -3,-0.5 -1,-0.3 -4,-0.4 -2,-0.1 0.752 130.1 2.9 -58.8 -21.8 -5.7 36.8 -15.8 58 59 A E < - 0 0 33 -3,-1.2 -1,-0.3 109,-0.1 -2,-0.1 -0.549 69.6-173.7-168.7 87.8 -6.0 33.2 -14.7 59 60 A P + 0 0 91 0, 0.0 2,-0.4 0, 0.0 -3,-0.1 0.747 62.6 83.0 -65.3 -25.6 -6.2 30.6 -17.4 60 61 A D - 0 0 109 -4,-0.1 2,-0.6 1,-0.0 19,-0.0 -0.664 65.5-150.7 -92.0 135.6 -6.8 27.6 -15.1 61 62 A L + 0 0 36 -2,-0.4 2,-0.3 17,-0.1 19,-0.1 -0.886 39.8 132.1-109.1 114.4 -10.2 26.8 -13.8 62 63 A F - 0 0 9 -2,-0.6 17,-1.8 140,-0.2 2,-0.4 -0.957 51.2-133.1-157.2 158.5 -10.1 25.1 -10.4 63 64 A I E -Bc 78 204A 0 140,-2.6 142,-3.7 -2,-0.3 2,-0.4 -0.987 30.1-170.8-115.5 131.4 -11.4 24.8 -6.8 64 65 A R E -Bc 77 205A 69 13,-3.2 13,-3.1 -2,-0.4 2,-0.5 -0.965 10.0-162.6-132.6 122.4 -8.6 24.5 -4.2 65 66 A I E -Bc 76 206A 1 140,-3.4 142,-2.5 -2,-0.4 11,-0.2 -0.906 8.9-177.0-108.2 130.0 -9.0 23.7 -0.5 66 67 A T E -B 75 0A 28 9,-2.4 9,-2.1 -2,-0.5 2,-0.2 -0.905 11.9-156.5-130.1 98.8 -6.1 24.5 1.9 67 68 A P E -B 74 0A 13 0, 0.0 7,-0.2 0, 0.0 117,-0.1 -0.583 3.0-165.5 -69.2 139.8 -6.4 23.6 5.6 68 69 A K E >>> +B 73 0A 46 5,-3.0 3,-1.7 -2,-0.2 5,-1.6 -0.725 10.1 178.5-120.0 76.7 -4.0 25.8 7.7 69 70 A P G >45S+ 0 0 66 0, 0.0 3,-1.2 0, 0.0 -1,-0.1 0.844 74.2 56.9 -55.7 -41.1 -4.0 23.8 11.0 70 71 A E G 345S+ 0 0 140 1,-0.3 -2,-0.0 2,-0.1 0, 0.0 0.641 116.2 37.1 -60.5 -28.3 -1.6 26.1 12.9 71 72 A Q G <45S- 0 0 107 -3,-1.7 -1,-0.3 2,-0.2 3,-0.1 0.404 109.0-123.9 -98.6 -4.4 -3.8 29.1 12.4 72 73 A K T <<5 + 0 0 86 -3,-1.2 104,-2.1 -4,-0.8 2,-0.3 0.876 67.4 137.1 58.5 43.1 -7.1 27.0 12.8 73 74 A V E < -BD 68 175A 0 -5,-1.6 -5,-3.0 102,-0.2 2,-0.4 -0.866 44.0-161.7-122.4 143.2 -8.1 28.3 9.3 74 75 A L E -BD 67 174A 0 100,-1.9 100,-2.9 -2,-0.3 2,-0.4 -0.997 13.3-161.3-123.2 125.1 -9.7 26.6 6.3 75 76 A E E -BD 66 173A 7 -9,-2.1 -9,-2.4 -2,-0.4 2,-0.5 -0.896 7.9-168.0-107.8 136.9 -9.4 28.3 2.9 76 77 A I E -BD 65 172A 4 96,-2.5 96,-2.9 -2,-0.4 2,-0.4 -0.977 16.5-173.2-119.4 114.9 -11.5 27.6 -0.1 77 78 A R E +BD 64 171A 27 -13,-3.1 -13,-3.2 -2,-0.5 2,-0.3 -0.860 9.9 176.8-110.4 144.2 -10.2 29.1 -3.3 78 79 A D E -BD 63 170A 8 92,-2.6 92,-1.8 -2,-0.4 -15,-0.2 -0.988 31.4-140.6-135.1 153.1 -11.7 29.4 -6.8 79 80 A S + 0 0 0 -17,-1.8 90,-0.2 -2,-0.3 -16,-0.1 -0.275 62.6 129.3 -97.6 46.0 -10.5 31.0 -10.0 80 81 A G S S- 0 0 0 90,-0.1 -39,-0.3 -2,-0.1 -40,-0.1 0.092 79.3 -64.0 -86.2-155.7 -14.1 32.1 -10.8 81 82 A I - 0 0 40 -41,-1.3 59,-0.6 1,-0.1 88,-0.2 0.785 66.7-150.7 -67.9 -30.3 -15.3 35.6 -11.7 82 83 A G - 0 0 2 57,-0.2 2,-0.4 86,-0.2 57,-0.2 -0.137 15.0 -98.5 78.9 174.5 -14.5 37.3 -8.4 83 84 A M - 0 0 46 86,-0.3 56,-0.4 62,-0.1 62,-0.2 -0.983 24.0-130.7-136.7 140.3 -16.4 40.3 -7.1 84 85 A T > - 0 0 22 -2,-0.4 4,-2.3 54,-0.1 5,-0.2 -0.319 38.0 -96.9 -80.1 170.1 -15.6 44.0 -7.2 85 86 A K H > S+ 0 0 49 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.927 127.0 49.7 -49.7 -50.3 -15.7 46.2 -4.2 86 87 A A H > S+ 0 0 57 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.902 110.3 52.4 -62.8 -38.1 -19.2 47.4 -5.0 87 88 A E H > S+ 0 0 78 2,-0.2 4,-2.1 1,-0.2 5,-0.4 0.873 107.8 50.2 -63.7 -39.6 -20.3 43.8 -5.4 88 89 A L H X S+ 0 0 0 -4,-2.3 4,-1.5 1,-0.2 -1,-0.2 0.935 115.0 44.1 -66.5 -45.3 -18.9 42.8 -2.0 89 90 A I H <>S+ 0 0 26 -4,-2.5 5,-1.4 -5,-0.2 6,-0.2 0.919 121.1 37.6 -61.7 -47.0 -20.8 45.7 -0.4 90 91 A N H ><>S+ 0 0 79 -4,-2.9 5,-1.5 -5,-0.2 3,-0.5 0.971 126.0 34.6 -72.4 -48.0 -24.1 45.2 -2.2 91 92 A N H 3<5S+ 0 0 97 -4,-2.1 -3,-0.2 -5,-0.2 -1,-0.2 0.578 111.2 58.6 -90.9 -17.3 -24.3 41.4 -2.3 92 93 A L T 3<5S- 0 0 16 -4,-1.5 -1,-0.2 -5,-0.4 -2,-0.1 -0.235 128.3 -40.8-113.2 50.0 -22.7 40.5 0.9 93 94 A G T < 5S+ 0 0 1 -3,-0.5 -85,-3.3 2,-0.3 -82,-0.2 0.122 110.8 83.4 135.7 -30.1 -24.8 42.1 3.5 94 95 A T T - 0 0 88 1,-0.1 3,-1.1 -4,-0.1 4,-0.5 -0.822 9.5-128.0 -96.8 138.8 -31.9 39.1 0.3 98 99 A S T 3 S+ 0 0 124 -2,-0.4 4,-0.4 1,-0.2 3,-0.2 0.860 103.3 37.3 -49.4 -45.2 -35.0 37.5 -1.1 99 100 A G T 3> S+ 0 0 8 20,-0.3 4,-2.6 1,-0.2 -1,-0.2 0.548 87.4 96.3 -97.7 8.3 -34.9 34.2 0.8 100 101 A T H <> S+ 0 0 1 -3,-1.1 4,-2.0 2,-0.2 -1,-0.2 0.935 92.2 33.6 -62.4 -57.3 -33.6 35.3 4.3 101 102 A K H > S+ 0 0 108 -4,-0.5 4,-3.0 1,-0.2 5,-0.2 0.940 119.0 52.5 -65.8 -50.0 -37.0 35.6 6.1 102 103 A A H > S+ 0 0 44 -4,-0.4 4,-2.3 1,-0.2 -1,-0.2 0.850 109.4 50.2 -51.3 -40.4 -38.6 32.8 4.3 103 104 A F H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.924 112.0 47.0 -67.5 -41.4 -35.6 30.5 5.2 104 105 A M H X S+ 0 0 12 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.903 110.9 51.6 -67.7 -39.3 -35.8 31.5 8.9 105 106 A E H X S+ 0 0 115 -4,-3.0 4,-1.1 1,-0.2 -2,-0.2 0.926 111.8 47.6 -62.8 -41.3 -39.6 30.9 8.8 106 107 A A H X>S+ 0 0 23 -4,-2.3 5,-2.3 2,-0.2 4,-0.7 0.909 109.4 55.0 -61.1 -45.1 -39.0 27.4 7.3 107 108 A L H ><5S+ 0 0 34 -4,-2.4 3,-1.2 1,-0.3 -2,-0.2 0.924 107.8 47.0 -56.5 -46.8 -36.3 26.7 9.9 108 109 A S H 3<5S+ 0 0 106 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.703 107.2 58.2 -76.2 -15.9 -38.6 27.4 12.8 109 110 A A H 3<5S- 0 0 93 -4,-1.1 -1,-0.3 -3,-0.4 -2,-0.2 0.558 132.0 -88.2 -78.4 -10.8 -41.3 25.2 11.2 110 111 A G T <<5S+ 0 0 64 -3,-1.2 -3,-0.2 -4,-0.7 -2,-0.1 0.345 72.0 155.5 120.8 -3.7 -38.8 22.2 11.2 111 112 A A < - 0 0 26 -5,-2.3 -1,-0.2 -6,-0.1 2,-0.2 -0.162 49.9-107.5 -55.4 141.5 -36.8 22.5 7.9 112 113 A D > - 0 0 77 1,-0.1 3,-2.0 -89,-0.0 -1,-0.1 -0.526 21.5-126.0 -65.8 140.6 -33.4 20.9 7.8 113 114 A V G > S+ 0 0 10 1,-0.3 3,-2.0 -2,-0.2 -1,-0.1 0.770 105.9 79.0 -58.3 -20.6 -30.6 23.6 7.8 114 115 A S G > S+ 0 0 27 1,-0.3 3,-0.7 2,-0.1 4,-0.3 0.722 76.9 69.1 -59.1 -26.7 -29.5 21.8 4.6 115 116 A M G <> + 0 0 65 -3,-2.0 4,-0.9 1,-0.2 -1,-0.3 0.425 69.0 103.2 -74.4 2.6 -32.2 23.5 2.6 116 117 A I G X4>S+ 0 0 0 -3,-2.0 5,-1.7 1,-0.2 3,-0.8 0.858 75.3 52.3 -60.3 -34.6 -30.3 26.8 3.0 117 118 A G G X45S+ 0 0 26 -3,-0.7 3,-1.8 1,-0.3 -1,-0.2 0.889 102.4 61.1 -71.4 -35.7 -28.8 26.7 -0.6 118 119 A Q G 345S+ 0 0 159 -4,-0.3 -1,-0.3 1,-0.3 -2,-0.2 0.759 102.3 51.8 -58.8 -24.5 -32.3 26.2 -2.0 119 120 A F G <<5S- 0 0 57 -4,-0.9 -20,-0.3 -3,-0.8 -1,-0.3 0.392 116.0-118.0 -91.5 -0.1 -33.3 29.6 -0.4 120 121 A G T < 5S+ 0 0 42 -3,-1.8 -3,-0.2 -4,-0.1 3,-0.1 0.673 93.9 96.4 74.6 17.8 -30.3 31.2 -2.1 121 122 A V > < + 0 0 2 -5,-1.7 3,-1.8 -22,-0.1 4,-0.2 0.087 37.4 124.8-120.9 25.2 -28.6 32.2 1.2 122 123 A G G > + 0 0 4 -6,-0.3 3,-1.5 1,-0.3 4,-0.2 0.671 56.2 77.1 -64.8 -19.5 -26.3 29.3 1.5 123 124 A F G > S+ 0 0 24 1,-0.2 3,-1.7 2,-0.2 -1,-0.3 0.898 88.2 61.5 -54.0 -36.8 -23.1 31.4 1.8 124 125 A Y G X S+ 0 0 7 -3,-1.8 3,-1.9 1,-0.3 -1,-0.2 0.656 80.6 83.6 -73.8 -10.6 -24.2 32.1 5.5 125 126 A S G X S+ 0 0 0 -3,-1.5 3,-1.9 1,-0.3 4,-0.3 0.671 70.1 80.1 -58.0 -19.5 -23.9 28.4 6.3 126 127 A L G X> S+ 0 0 0 -3,-1.7 3,-1.3 1,-0.3 4,-1.3 0.779 79.0 69.9 -63.9 -20.0 -20.2 28.9 6.8 127 128 A F G <4 S+ 0 0 0 -3,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.622 81.0 73.8 -74.6 -7.1 -21.1 30.3 10.3 128 129 A L G <4 S+ 0 0 0 -3,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.798 117.0 17.8 -59.6 -30.1 -22.1 26.8 11.4 129 130 A V T <4 S+ 0 0 0 -3,-1.3 48,-2.2 -4,-0.3 2,-0.3 0.553 123.8 55.3-128.1 -11.8 -18.4 26.0 11.6 130 131 A A E < -E 176 0A 0 -4,-1.3 46,-0.2 46,-0.3 3,-0.1 -0.922 47.4-165.0-133.2 142.9 -16.6 29.4 11.7 131 132 A D E S+ 0 0 78 44,-2.1 2,-0.3 1,-0.3 45,-0.1 0.406 85.5 29.3-110.6 6.0 -16.9 32.5 14.0 132 133 A R E -E 175 0A 93 43,-0.7 43,-2.7 19,-0.1 2,-0.3 -0.937 67.3-172.4-158.8 140.9 -15.0 34.8 11.6 133 134 A V E -EF 174 149A 0 16,-2.5 16,-2.3 -2,-0.3 2,-0.4 -0.998 10.8-162.1-137.7 136.8 -14.6 34.9 7.7 134 135 A Q E -EF 173 148A 22 39,-2.2 39,-3.3 -2,-0.3 2,-0.6 -0.954 7.2-161.4-105.9 133.7 -12.6 36.8 5.3 135 136 A V E -EF 172 147A 1 12,-2.6 12,-2.8 -2,-0.4 2,-0.6 -0.982 11.4-170.3-109.9 110.3 -13.8 36.8 1.6 136 137 A I E +EF 171 146A 0 35,-2.9 35,-3.0 -2,-0.6 2,-0.4 -0.933 14.1 176.1-108.4 122.3 -10.7 37.9 -0.4 137 138 A S E -EF 170 145A 0 8,-2.8 8,-2.3 -2,-0.6 2,-0.4 -0.975 26.7-168.5-138.5 147.0 -11.7 38.6 -4.0 138 139 A K E -E 169 0A 38 31,-3.1 31,-2.7 -2,-0.4 2,-0.3 -0.962 11.8-172.6-137.3 105.4 -10.2 39.8 -7.3 139 140 A S > - 0 0 5 4,-0.4 3,-1.8 -2,-0.4 -57,-0.2 -0.737 36.9-118.2 -91.2 149.8 -12.5 40.6 -10.2 140 141 A N T 3 S+ 0 0 40 -59,-0.6 -1,-0.1 -2,-0.3 -58,-0.1 0.777 115.3 55.8 -54.8 -20.1 -11.0 41.5 -13.7 141 142 A D T 3 S+ 0 0 114 2,-0.1 2,-0.3 0, 0.0 -1,-0.3 0.188 112.6 24.4-103.1 13.5 -12.7 44.9 -13.2 142 143 A D S < S- 0 0 45 -3,-1.8 2,-0.1 -58,-0.1 3,-0.1 -0.966 82.0 -84.1-164.2 176.4 -11.2 45.9 -9.9 143 144 A E - 0 0 121 -2,-0.3 -4,-0.4 1,-0.1 2,-0.3 -0.292 61.7 -78.1 -83.4 171.3 -8.4 45.7 -7.4 144 145 A Q - 0 0 4 16,-0.2 16,-2.8 -6,-0.1 2,-0.3 -0.595 55.1-175.3 -76.9 126.2 -8.1 42.9 -4.7 145 146 A Y E -FG 137 159A 33 -8,-2.3 -8,-2.8 -2,-0.3 2,-0.5 -0.941 19.3-144.4-122.5 154.4 -10.4 43.5 -1.7 146 147 A I E -FG 136 158A 13 12,-2.5 12,-2.2 -2,-0.3 2,-0.4 -0.967 10.4-166.1-114.2 124.6 -11.0 41.7 1.6 147 148 A W E -FG 135 157A 0 -12,-2.8 -12,-2.6 -2,-0.5 2,-0.4 -0.890 14.9-170.4-105.9 140.1 -14.5 41.6 3.2 148 149 A E E +FG 134 156A 48 8,-2.5 8,-2.0 -2,-0.4 2,-0.3 -0.996 12.6 166.7-139.3 140.3 -14.6 40.5 6.8 149 150 A S E -F 133 0A 4 -16,-2.3 -16,-2.5 -2,-0.4 6,-0.1 -0.994 26.8-169.9-148.5 150.8 -17.2 39.6 9.3 150 151 A N - 0 0 104 4,-0.5 3,-0.1 -2,-0.3 5,-0.1 -0.042 65.5 -96.6-123.7 24.3 -17.6 38.0 12.7 151 152 A A S S+ 0 0 18 1,-0.2 -132,-0.1 -18,-0.1 4,-0.1 0.442 88.1 123.2 75.4 0.7 -21.4 37.6 12.5 152 153 A G S S- 0 0 33 2,-0.3 -1,-0.2 1,-0.1 -137,-0.1 0.044 86.1 -79.5 -66.5-168.2 -22.1 40.9 14.5 153 154 A G S S+ 0 0 40 -3,-0.1 -146,-3.0 -147,-0.1 2,-0.3 0.402 107.9 44.9 -80.1 2.9 -24.2 43.6 12.8 154 155 A S E -A 6 0A 47 -148,-0.3 -4,-0.5 -142,-0.1 2,-0.3 -0.979 58.0-162.2-145.2 161.6 -21.4 45.0 10.6 155 156 A F E -A 5 0A 1 -150,-2.2 -150,-2.9 -2,-0.3 2,-0.3 -0.933 16.2-131.0-136.3 163.0 -18.7 44.0 8.3 156 157 A T E -AG 4 148A 38 -8,-2.0 -8,-2.5 -2,-0.3 2,-0.4 -0.803 7.1-158.2-111.8 155.7 -15.6 45.7 6.9 157 158 A V E +AG 3 147A 3 -154,-2.3 -154,-1.7 -2,-0.3 2,-0.4 -0.998 19.1 178.1-129.2 133.5 -14.2 46.0 3.3 158 159 A T E -AG 2 146A 30 -12,-2.2 -12,-2.5 -2,-0.4 -156,-0.1 -0.992 37.3-109.6-143.8 131.4 -10.5 46.9 2.8 159 160 A L E - G 0 145A 76 -158,-0.5 2,-0.9 -2,-0.4 -14,-0.3 -0.438 48.8-115.1 -57.9 134.7 -8.2 47.3 -0.2 160 161 A D + 0 0 2 -16,-2.8 -16,-0.2 1,-0.2 -1,-0.1 -0.666 59.3 143.0 -88.4 104.9 -5.9 44.1 0.0 161 162 A E S S+ 0 0 164 -2,-0.9 -1,-0.2 1,-0.0 -2,-0.1 0.200 71.1 59.2-111.0 17.3 -2.3 44.9 0.7 162 163 A V S S+ 0 0 120 2,-0.1 2,-0.2 -3,-0.0 -2,-0.1 0.651 89.4 61.4-128.1 -27.0 -1.8 41.9 2.9 163 164 A N S S- 0 0 24 1,-0.2 3,-0.1 3,-0.0 -3,-0.0 -0.698 88.9 -82.9-111.9 163.0 -2.6 38.6 1.1 164 165 A E - 0 0 110 -2,-0.2 2,-0.4 1,-0.1 -1,-0.2 -0.134 57.7 -93.0 -52.3 151.7 -1.1 36.8 -1.9 165 166 A R - 0 0 132 -21,-0.0 2,-0.5 2,-0.0 -1,-0.1 -0.596 29.1-151.6 -70.9 127.8 -2.3 38.0 -5.3 166 167 A I - 0 0 5 -2,-0.4 3,-0.2 1,-0.2 -108,-0.0 -0.846 7.7-149.0 -86.9 138.3 -5.1 36.2 -6.8 167 168 A G S S- 0 0 29 -2,-0.5 2,-0.3 1,-0.4 -1,-0.2 0.959 81.9 -24.8 -68.5 -48.6 -4.9 36.4 -10.6 168 169 A R S S+ 0 0 0 -3,-0.1 -1,-0.4 -90,-0.1 2,-0.3 -0.929 107.2 39.8-161.9 135.0 -8.7 36.2 -10.6 169 170 A G E S- E 0 138A 0 -31,-2.7 -31,-3.1 -2,-0.3 -86,-0.3 -0.894 71.6 -59.9 134.7-147.1 -11.3 34.8 -8.2 170 171 A T E -DE 78 137A 8 -92,-1.8 -92,-2.6 -2,-0.3 2,-0.4 -0.978 19.8-157.2-145.2 145.2 -12.1 34.4 -4.5 171 172 A I E -DE 77 136A 0 -35,-3.0 -35,-2.9 -2,-0.3 2,-0.7 -0.999 10.7-155.4-123.0 123.3 -10.7 32.9 -1.3 172 173 A L E -DE 76 135A 21 -96,-2.9 -96,-2.5 -2,-0.4 2,-0.7 -0.928 14.3-165.7 -95.0 110.4 -13.1 32.1 1.5 173 174 A R E -DE 75 134A 26 -39,-3.3 -39,-2.2 -2,-0.7 2,-0.5 -0.913 5.0-164.9-100.8 110.7 -10.9 32.2 4.6 174 175 A L E -DE 74 133A 0 -100,-2.9 -100,-1.9 -2,-0.7 2,-1.0 -0.847 16.9-152.3-104.2 126.9 -12.7 30.5 7.6 175 176 A F E -DE 73 132A 41 -43,-2.7 -44,-2.1 -2,-0.5 -43,-0.7 -0.830 32.6-141.9 -91.3 94.5 -11.5 31.0 11.2 176 177 A L E - E 0 130A 8 -104,-2.1 -46,-0.3 -2,-1.0 2,-0.2 -0.373 8.7-115.1 -64.1 144.5 -12.9 27.7 12.5 177 178 A K > - 0 0 26 -48,-2.2 3,-2.2 1,-0.1 -1,-0.1 -0.511 32.4-108.7 -68.8 150.1 -14.5 27.4 16.0 178 179 A D G > S+ 0 0 111 1,-0.3 3,-0.6 -2,-0.2 -1,-0.1 0.746 118.8 52.2 -54.7 -29.9 -12.6 25.2 18.5 179 180 A D G 3 S+ 0 0 110 1,-0.2 -1,-0.3 2,-0.1 3,-0.3 0.569 105.2 57.3 -83.5 -0.9 -15.2 22.4 18.3 180 181 A Q G X + 0 0 12 -3,-2.2 3,-1.5 -51,-0.2 -1,-0.2 0.121 63.4 118.2-115.7 21.5 -15.1 22.3 14.5 181 182 A L G X + 0 0 54 -3,-0.6 3,-1.9 1,-0.3 4,-0.2 0.598 53.9 87.2 -68.7 -10.2 -11.3 21.5 13.9 182 183 A E G > S+ 0 0 73 -3,-0.3 3,-1.4 1,-0.3 -1,-0.3 0.759 77.2 66.0 -58.2 -25.6 -12.2 18.2 12.2 183 184 A Y G < S+ 0 0 8 -3,-1.5 -1,-0.3 1,-0.3 -2,-0.1 0.519 87.5 69.8 -80.4 -0.3 -12.6 20.1 8.9 184 185 A L G < S+ 0 0 20 -3,-1.9 2,-0.4 -4,-0.1 -1,-0.3 0.614 83.8 93.0 -78.4 -12.6 -8.8 20.8 9.1 185 186 A E S <> S- 0 0 116 -3,-1.4 4,-2.6 -4,-0.2 5,-0.2 -0.700 72.2-141.0 -98.7 131.5 -8.1 17.1 8.4 186 187 A E H > S+ 0 0 88 -2,-0.4 4,-2.1 2,-0.2 5,-0.3 0.877 101.2 50.7 -48.8 -51.5 -7.6 15.6 5.0 187 188 A K H > S+ 0 0 72 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.945 111.9 47.6 -58.1 -51.4 -9.5 12.4 5.6 188 189 A R H > S+ 0 0 30 -6,-0.2 4,-2.2 1,-0.2 5,-0.2 0.933 111.1 52.3 -53.0 -50.9 -12.6 14.3 6.9 189 190 A I H X S+ 0 0 0 -4,-2.6 4,-2.3 -7,-0.2 -1,-0.2 0.892 109.6 46.9 -54.1 -43.8 -12.5 16.8 3.9 190 191 A K H X S+ 0 0 120 -4,-2.1 4,-3.0 1,-0.2 -1,-0.2 0.891 110.4 54.2 -72.1 -37.1 -12.4 14.1 1.2 191 192 A E H X S+ 0 0 89 -4,-1.9 4,-1.9 -5,-0.3 -1,-0.2 0.898 108.5 47.2 -59.3 -46.6 -15.2 12.3 2.8 192 193 A V H X S+ 0 0 1 -4,-2.2 4,-2.2 2,-0.2 5,-0.4 0.934 113.5 49.2 -67.9 -42.5 -17.5 15.4 2.9 193 194 A I H X S+ 0 0 29 -4,-2.3 4,-2.3 -5,-0.2 -2,-0.2 0.923 109.0 52.4 -57.3 -45.3 -16.6 16.1 -0.8 194 195 A K H < S+ 0 0 129 -4,-3.0 4,-0.2 1,-0.2 -2,-0.2 0.922 114.7 42.7 -54.9 -48.4 -17.4 12.4 -1.8 195 196 A R H < S+ 0 0 134 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.880 130.9 17.7 -69.3 -42.5 -20.9 12.6 -0.1 196 197 A H H < S+ 0 0 50 -4,-2.2 3,-0.2 -5,-0.2 -3,-0.2 0.662 122.4 48.3-111.2 -20.4 -22.1 16.0 -1.2 197 198 A S < + 0 0 13 -4,-2.3 3,-0.3 -5,-0.4 -1,-0.1 -0.145 61.2 130.1-121.4 43.1 -20.0 17.2 -4.2 198 199 A E S S+ 0 0 141 -4,-0.2 2,-0.8 1,-0.2 -1,-0.1 0.818 71.4 52.3 -56.7 -39.0 -20.0 14.2 -6.7 199 200 A F + 0 0 185 -3,-0.2 2,-0.4 2,-0.0 -1,-0.2 -0.656 69.4 138.5-111.9 76.8 -21.1 16.2 -9.8 200 201 A V - 0 0 36 -2,-0.8 4,-0.1 -3,-0.3 -165,-0.0 -0.988 43.1-151.6-117.8 127.0 -18.7 19.2 -10.0 201 202 A A S S+ 0 0 83 -2,-0.4 -1,-0.1 2,-0.1 -2,-0.0 0.573 74.9 69.0 -71.4 -11.1 -17.4 20.1 -13.5 202 203 A Y S S- 0 0 18 1,-0.1 -140,-0.2 -140,-0.0 2,-0.1 -0.808 92.6 -95.5-117.1 149.4 -14.1 21.5 -12.2 203 204 A P - 0 0 74 0, 0.0 -140,-2.6 0, 0.0 2,-0.7 -0.378 31.5-148.1 -60.5 134.3 -11.1 19.9 -10.6 204 205 A I E -c 63 0A 52 -142,-0.2 2,-0.4 -4,-0.1 -140,-0.2 -0.919 16.3-162.6-104.3 112.1 -11.2 20.0 -6.8 205 206 A Q E -c 64 0A 70 -142,-3.7 -140,-3.4 -2,-0.7 2,-0.5 -0.756 7.5-158.3 -98.7 135.2 -7.6 20.3 -5.4 206 207 A L E -c 65 0A 52 -2,-0.4 2,-0.6 -142,-0.2 -140,-0.2 -0.968 10.6-147.2-111.3 126.6 -6.6 19.6 -1.8 207 208 A V - 0 0 54 -142,-2.5 2,-0.4 -2,-0.5 -2,-0.0 -0.862 21.8-174.8 -97.3 121.0 -3.4 21.2 -0.5 208 209 A V - 0 0 69 -2,-0.6 2,-0.6 -142,-0.1 -2,-0.0 -0.938 19.5-146.8-126.3 133.0 -1.6 18.9 2.0 209 210 A T - 0 0 130 -2,-0.4 2,-0.3 -142,-0.1 -2,-0.0 -0.909 21.8-179.5-101.6 112.8 1.5 19.5 4.2 210 211 A K - 0 0 134 -2,-0.6 2,-0.4 0, 0.0 -2,-0.0 -0.852 25.6-127.1-108.4 144.7 3.6 16.4 4.8 211 212 A E - 0 0 152 -2,-0.3 2,-0.4 1,-0.0 -2,-0.0 -0.779 27.3-120.5 -90.0 134.1 6.8 16.2 6.9 212 213 A V 0 0 141 -2,-0.4 -1,-0.0 1,-0.1 0, 0.0 -0.655 360.0 360.0 -78.4 121.7 9.7 14.6 5.0 213 214 A E 0 0 206 -2,-0.4 -1,-0.1 0, 0.0 0, 0.0 0.322 360.0 360.0-101.4 360.0 10.9 11.5 7.1