==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-DEC-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CHAPERONE 08-NOV-10 2XX2 . COMPND 2 MOLECULE: ATP-DEPENDENT MOLECULAR CHAPERONE HSP82; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR C.J.MOODY,C.PRODROMOU,L.H.PEARL,S.M.ROE . 856 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 37348.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 639 74.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 1.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 177 20.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 61 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 130 15.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 225 26.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 2.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 0 0 2 0 4 0 4 2 2 2 0 0 0 0 0 1 1 0 2 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 4 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 7 5 8 2 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 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 1 A M 0 0 130 0, 0.0 2,-0.3 0, 0.0 161,-0.1 0.000 360.0 360.0 360.0 126.6 32.3 13.0 -4.5 2 2 A A - 0 0 86 1,-0.0 158,-0.4 157,-0.0 2,-0.2 -0.573 360.0-136.5 -76.8 137.8 31.1 9.8 -6.3 3 3 A S - 0 0 63 -2,-0.3 2,-0.4 156,-0.1 156,-0.2 -0.598 7.1-137.0 -92.9 155.1 27.4 9.4 -6.4 4 4 A E E -A 158 0A 88 154,-2.4 154,-2.2 -2,-0.2 2,-0.4 -0.917 15.2-142.0-109.8 143.4 25.6 6.1 -5.8 5 5 A T E -A 157 0A 86 -2,-0.4 2,-0.3 152,-0.2 152,-0.2 -0.853 17.9-177.6-109.9 139.3 22.6 5.0 -7.9 6 6 A F E -A 156 0A 45 150,-3.0 150,-2.7 -2,-0.4 2,-0.3 -0.983 23.9-123.9-133.3 144.7 19.5 3.2 -6.7 7 7 A E E -A 155 0A 134 -2,-0.3 148,-0.3 148,-0.2 2,-0.1 -0.658 29.9-118.4 -86.0 142.0 16.4 1.8 -8.5 8 8 A F - 0 0 13 146,-3.1 87,-0.2 -2,-0.3 2,-0.1 -0.458 36.4 -97.4 -69.1 148.5 13.0 3.0 -7.4 9 9 A Q >> - 0 0 50 85,-3.5 4,-1.8 -2,-0.1 3,-0.8 -0.463 44.0-111.3 -61.0 144.3 10.6 0.4 -6.0 10 10 A A H 3> S+ 0 0 54 1,-0.3 4,-1.6 2,-0.2 -1,-0.1 0.830 112.9 48.0 -55.1 -45.1 8.4 -0.6 -9.0 11 11 A E H 3> S+ 0 0 55 2,-0.2 4,-2.7 1,-0.2 -1,-0.3 0.784 108.5 55.8 -71.0 -27.8 5.0 0.9 -7.8 12 12 A I H <> S+ 0 0 2 -3,-0.8 4,-2.6 2,-0.2 -1,-0.2 0.895 106.3 50.6 -68.5 -40.8 6.7 4.3 -6.9 13 13 A T H X S+ 0 0 41 -4,-1.8 4,-1.7 2,-0.2 -2,-0.2 0.899 113.0 47.2 -60.7 -37.9 8.0 4.4 -10.5 14 14 A Q H X S+ 0 0 91 -4,-1.6 4,-1.9 -5,-0.2 -2,-0.2 0.897 110.3 52.0 -69.1 -42.9 4.4 3.8 -11.5 15 15 A L H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.907 107.9 52.1 -58.7 -44.4 3.1 6.4 -9.1 16 16 A M H X S+ 0 0 1 -4,-2.6 4,-2.6 1,-0.2 5,-0.2 0.928 109.8 47.7 -61.4 -45.0 5.5 9.0 -10.5 17 17 A S H X S+ 0 0 56 -4,-1.7 4,-2.1 1,-0.2 -1,-0.2 0.847 110.9 51.4 -64.6 -36.2 4.4 8.4 -14.1 18 18 A L H X S+ 0 0 34 -4,-1.9 4,-2.2 2,-0.2 5,-0.3 0.923 112.3 46.8 -67.2 -43.4 0.7 8.6 -13.2 19 19 A I H X S+ 0 0 3 -4,-2.4 4,-0.8 1,-0.2 -2,-0.2 0.937 116.7 42.7 -62.0 -49.3 1.3 11.9 -11.4 20 20 A I H < S+ 0 0 54 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.861 125.4 32.3 -64.9 -37.3 3.4 13.4 -14.2 21 21 A N H < S+ 0 0 106 -4,-2.1 -2,-0.2 -5,-0.2 -3,-0.2 0.665 122.8 33.8-102.6 -17.7 1.1 12.2 -17.1 22 22 A T H < S+ 0 0 69 -4,-2.2 2,-0.6 -5,-0.2 -3,-0.2 0.402 90.3 90.2-124.8 1.4 -2.5 12.0 -15.9 23 23 A V < + 0 0 14 -4,-0.8 3,-0.1 -5,-0.3 -1,-0.0 -0.905 36.8 160.8-108.1 120.0 -3.0 14.9 -13.5 24 24 A Y + 0 0 190 -2,-0.6 2,-0.3 1,-0.1 3,-0.2 0.612 54.5 46.2-112.4 -21.6 -4.2 18.2 -15.1 25 25 A S S S+ 0 0 90 1,-0.2 89,-0.3 2,-0.1 -1,-0.1 -0.890 94.7 26.2-132.9 159.1 -5.7 20.2 -12.3 26 26 A N > + 0 0 55 -2,-0.3 3,-1.3 1,-0.1 -1,-0.2 0.818 61.6 152.3 64.1 35.3 -5.1 21.4 -8.7 27 27 A K T > + 0 0 44 1,-0.2 3,-2.1 -3,-0.2 4,-0.2 0.718 55.0 79.8 -62.6 -22.5 -1.3 21.1 -9.0 28 28 A E T >> S+ 0 0 23 1,-0.3 3,-1.7 2,-0.2 4,-0.6 0.699 71.2 80.1 -68.3 -18.4 -0.9 23.8 -6.4 29 29 A I H <> S+ 0 0 0 -3,-1.3 4,-2.4 1,-0.3 -1,-0.3 0.646 71.1 82.0 -63.8 -12.5 -1.5 21.3 -3.6 30 30 A F H <> S+ 0 0 0 -3,-2.1 4,-2.5 1,-0.2 -1,-0.3 0.912 89.8 53.0 -55.5 -37.7 2.1 20.2 -4.0 31 31 A L H <> S+ 0 0 3 -3,-1.7 4,-2.6 1,-0.2 -1,-0.2 0.900 106.3 51.0 -68.9 -37.6 3.0 23.2 -1.8 32 32 A R H X S+ 0 0 23 -4,-0.6 4,-2.7 2,-0.2 -1,-0.2 0.920 111.2 49.4 -60.6 -43.9 0.5 22.1 0.9 33 33 A E H X S+ 0 0 12 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.922 112.8 45.7 -63.8 -43.0 2.0 18.6 0.9 34 34 A L H X S+ 0 0 5 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.884 113.0 50.1 -70.5 -36.3 5.6 19.9 1.1 35 35 A I H X S+ 0 0 2 -4,-2.6 4,-2.9 2,-0.2 -2,-0.2 0.921 110.6 50.6 -65.2 -41.8 4.6 22.4 3.9 36 36 A S H X S+ 0 0 51 -4,-2.7 4,-2.9 1,-0.2 -2,-0.2 0.920 109.6 49.8 -62.0 -45.4 2.9 19.5 5.8 37 37 A N H X S+ 0 0 63 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.900 111.6 49.5 -58.3 -40.8 6.0 17.3 5.5 38 38 A A H X S+ 0 0 0 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.941 110.3 49.7 -64.0 -47.5 8.1 20.2 6.8 39 39 A S H X S+ 0 0 19 -4,-2.9 4,-2.8 1,-0.2 -2,-0.2 0.928 109.3 53.3 -57.3 -46.6 5.8 20.7 9.7 40 40 A D H X S+ 0 0 72 -4,-2.9 4,-1.7 1,-0.2 -1,-0.2 0.911 108.9 47.8 -52.4 -46.2 5.9 17.0 10.5 41 41 A A H X S+ 0 0 18 -4,-2.1 41,-1.6 1,-0.2 4,-1.6 0.844 110.3 52.6 -68.2 -33.7 9.7 17.0 10.6 42 42 A L H X S+ 0 0 0 -4,-2.1 4,-2.0 39,-0.3 -2,-0.2 0.912 106.4 53.9 -68.1 -42.6 9.7 20.1 12.8 43 43 A D H X S+ 0 0 57 -4,-2.8 4,-2.8 1,-0.2 -2,-0.2 0.894 108.0 51.1 -51.9 -42.6 7.3 18.3 15.2 44 44 A K H X S+ 0 0 128 -4,-1.7 4,-2.6 2,-0.2 -1,-0.2 0.849 110.4 44.7 -73.9 -36.8 9.7 15.4 15.5 45 45 A I H X S+ 0 0 0 -4,-1.6 4,-0.6 2,-0.2 -1,-0.2 0.867 115.6 50.9 -71.1 -32.8 12.9 17.3 16.3 46 46 A R H < S+ 0 0 68 -4,-2.0 4,-0.3 2,-0.2 -2,-0.2 0.914 114.6 42.0 -69.9 -45.4 10.8 19.3 18.7 47 47 A Y H >< S+ 0 0 115 -4,-2.8 3,-2.1 2,-0.2 4,-0.4 0.923 110.3 55.6 -63.7 -48.3 9.4 16.2 20.4 48 48 A K H 3< S+ 0 0 65 -4,-2.6 3,-0.3 1,-0.3 -1,-0.2 0.691 108.0 51.8 -62.2 -15.8 12.8 14.5 20.4 49 49 A S T >< S+ 0 0 25 -4,-0.6 3,-1.1 -3,-0.2 -1,-0.3 0.569 86.3 82.5 -93.6 -11.4 13.9 17.5 22.2 50 50 A L T < S+ 0 0 79 -3,-2.1 -2,-0.2 -4,-0.3 -1,-0.2 0.697 111.9 22.7 -60.2 -18.0 11.1 17.1 24.7 51 51 A S T 3 S+ 0 0 87 -4,-0.4 -1,-0.3 1,-0.3 -2,-0.2 0.038 135.3 33.5-138.1 25.1 13.5 14.6 26.3 52 52 A D < - 0 0 58 -3,-1.1 -1,-0.3 -5,-0.1 3,-0.3 -0.557 54.8-174.6 176.8 112.6 16.9 15.8 25.0 53 53 A P S > S+ 0 0 99 0, 0.0 3,-1.5 0, 0.0 4,-0.4 0.665 73.5 78.0 -94.1 -22.4 17.7 19.5 24.3 54 54 A K G > S+ 0 0 71 1,-0.3 3,-0.8 2,-0.2 4,-0.4 0.701 81.8 76.4 -61.0 -17.6 21.2 19.3 22.8 55 55 A Q G > S+ 0 0 28 -3,-0.3 3,-0.6 1,-0.2 -1,-0.3 0.802 90.4 51.3 -63.9 -33.2 19.3 18.2 19.6 56 56 A L G X S+ 0 0 45 -3,-1.5 3,-1.8 1,-0.2 -1,-0.2 0.650 86.3 85.3 -80.3 -16.1 18.3 21.8 18.8 57 57 A E G < S+ 0 0 147 -3,-0.8 -1,-0.2 -4,-0.4 -2,-0.2 0.751 80.7 62.5 -61.6 -25.0 21.8 23.2 19.1 58 58 A T G < S+ 0 0 60 -3,-0.6 -1,-0.3 -4,-0.4 -2,-0.1 0.742 132.1 0.3 -71.9 -22.1 22.6 22.4 15.5 59 59 A E < - 0 0 16 -3,-1.8 -1,-0.3 109,-0.2 -2,-0.2 -0.483 68.9-175.1-166.5 87.2 19.7 24.7 14.5 60 60 A P + 0 0 83 0, 0.0 2,-0.4 0, 0.0 -3,-0.1 0.765 64.3 80.1 -61.8 -31.8 17.9 26.5 17.4 61 61 A D - 0 0 78 -5,-0.1 2,-0.6 1,-0.0 655,-0.0 -0.652 68.8-149.8 -85.3 135.4 15.3 28.2 15.2 62 62 A L + 0 0 15 -2,-0.4 2,-0.3 17,-0.1 19,-0.1 -0.894 39.5 134.1-105.8 113.6 12.3 26.2 14.0 63 63 A F - 0 0 2 -2,-0.6 17,-1.5 140,-0.1 2,-0.4 -0.976 51.3-132.0-154.3 161.2 11.0 27.3 10.7 64 64 A I E -Bc 79 205A 0 140,-2.4 142,-3.1 -2,-0.3 2,-0.4 -0.978 31.0-170.5-113.7 135.8 9.8 26.7 7.2 65 65 A R E -Bc 78 206A 41 13,-3.0 13,-3.1 -2,-0.4 2,-0.5 -0.988 11.3-160.6-136.3 128.3 11.4 28.8 4.5 66 66 A I E -Bc 77 207A 0 140,-3.2 142,-3.0 -2,-0.4 11,-0.2 -0.925 10.4-175.7-113.1 126.3 10.5 29.2 0.8 67 67 A T E -B 76 0A 28 9,-2.6 9,-2.3 -2,-0.5 2,-0.2 -0.900 11.7-156.4-129.9 102.2 13.1 30.6 -1.7 68 68 A P E -B 75 0A 14 0, 0.0 7,-0.2 0, 0.0 142,-0.1 -0.572 5.5-171.2 -69.1 135.3 12.3 31.3 -5.3 69 69 A K E > > +B 74 0A 31 5,-3.4 3,-1.9 -2,-0.2 5,-1.7 -0.642 7.6 177.6-127.9 73.4 15.4 31.3 -7.5 70 70 A P G > 5S+ 0 0 68 0, 0.0 3,-1.2 0, 0.0 -1,-0.1 0.765 73.7 61.3 -53.2 -38.2 14.0 32.6 -10.8 71 71 A E G 3 5S+ 0 0 81 1,-0.3 -2,-0.0 2,-0.1 635,-0.0 0.796 115.2 34.6 -61.3 -29.8 17.3 32.6 -12.7 72 72 A Q G < 5S- 0 0 102 -3,-1.9 -1,-0.3 2,-0.2 3,-0.1 0.376 108.6-121.1-101.7 3.2 17.6 28.8 -12.2 73 73 A K T < 5 + 0 0 87 -3,-1.2 104,-1.9 -4,-0.5 2,-0.4 0.906 68.5 142.5 51.4 44.4 13.8 28.2 -12.5 74 74 A V E < -BD 69 176A 0 -5,-1.7 -5,-3.4 102,-0.2 2,-0.5 -0.915 40.5-167.0-119.5 140.6 14.2 26.7 -9.0 75 75 A L E -BD 68 175A 2 100,-2.2 100,-2.7 -2,-0.4 2,-0.4 -0.990 12.8-161.7-122.3 124.3 11.9 26.8 -5.9 76 76 A E E -BD 67 174A 4 -9,-2.3 -9,-2.6 -2,-0.5 2,-0.5 -0.855 8.4-168.6-106.1 137.6 13.4 25.7 -2.6 77 77 A I E -BD 66 173A 5 96,-2.2 96,-3.0 -2,-0.4 2,-0.3 -0.984 18.0-177.6-122.3 116.2 11.3 24.7 0.4 78 78 A R E +BD 65 172A 22 -13,-3.1 -13,-3.0 -2,-0.5 2,-0.3 -0.864 10.4 177.8-116.3 146.0 13.5 24.4 3.5 79 79 A D E -BD 64 171A 11 92,-2.2 92,-1.6 -2,-0.3 -15,-0.2 -0.974 31.3-137.1-139.3 157.8 12.7 23.3 7.1 80 80 A S + 0 0 0 -17,-1.5 90,-0.2 -2,-0.3 -16,-0.1 -0.146 61.5 132.1-102.9 36.6 14.9 22.9 10.2 81 81 A G S S- 0 0 0 -18,-0.1 -39,-0.3 90,-0.1 -40,-0.1 0.177 78.2 -67.8 -69.0-164.2 13.1 19.7 11.2 82 82 A I S S- 0 0 47 -41,-1.6 59,-0.6 1,-0.1 88,-0.2 0.726 70.2-153.0 -68.6 -25.3 14.7 16.4 12.3 83 83 A G - 0 0 5 57,-0.2 2,-0.4 86,-0.1 57,-0.2 -0.151 12.6 -86.6 81.3-177.5 16.2 15.6 8.8 84 84 A M - 0 0 29 86,-0.4 56,-0.4 62,-0.1 62,-0.2 -0.999 25.3-136.2-137.8 134.4 17.1 12.3 7.2 85 85 A T > - 0 0 25 -2,-0.4 4,-2.4 54,-0.1 5,-0.2 -0.244 41.2 -95.9 -74.5 172.9 20.2 10.2 7.3 86 86 A K H > S+ 0 0 49 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.932 128.0 47.9 -57.3 -46.0 21.7 8.6 4.2 87 87 A A H > S+ 0 0 59 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.886 110.0 53.3 -63.0 -37.4 19.8 5.3 4.9 88 88 A E H > S+ 0 0 74 2,-0.2 4,-3.3 1,-0.2 5,-0.5 0.907 107.3 50.4 -65.5 -43.3 16.6 7.2 5.5 89 89 A L H X S+ 0 0 0 -4,-2.4 4,-1.8 2,-0.2 -1,-0.2 0.937 114.2 45.4 -56.7 -48.9 16.8 9.1 2.2 90 90 A I H <>S+ 0 0 22 -4,-2.1 5,-1.9 -5,-0.2 6,-0.3 0.929 121.5 37.1 -60.7 -47.4 17.3 5.8 0.4 91 91 A N H ><>S+ 0 0 71 -4,-2.9 5,-1.2 4,-0.2 3,-0.6 0.920 122.1 40.5 -73.2 -46.7 14.5 4.0 2.3 92 92 A N H 3<5S+ 0 0 84 -4,-3.3 -3,-0.2 1,-0.2 -2,-0.2 0.785 116.6 47.6 -76.1 -30.0 11.9 6.8 2.6 93 93 A L T 3<5S- 0 0 16 -4,-1.8 -1,-0.2 -5,-0.5 -2,-0.1 -0.218 130.8 -29.6-114.3 42.2 12.3 8.3 -0.8 94 94 A G T < 5S+ 0 0 0 -3,-0.6 -85,-3.5 2,-0.3 -82,-0.2 0.114 112.7 69.9 153.7 -37.2 12.2 5.4 -3.2 95 95 A T T - 0 0 97 1,-0.1 3,-1.8 -4,-0.1 4,-0.4 -0.828 13.2-135.5 -89.7 128.9 4.8 2.8 0.6 99 99 A S T 3 S+ 0 0 130 -2,-0.5 4,-0.4 1,-0.3 3,-0.3 0.847 101.4 45.4 -56.9 -36.8 1.6 1.0 1.9 100 100 A G T 3> S+ 0 0 10 20,-0.5 4,-2.6 1,-0.2 -1,-0.3 0.469 84.6 97.0 -85.9 -1.0 -0.8 3.5 0.3 101 101 A T H <> S+ 0 0 2 -3,-1.8 4,-2.4 1,-0.2 -1,-0.2 0.931 87.9 40.1 -56.9 -54.4 0.9 3.7 -3.1 102 102 A K H > S+ 0 0 59 -4,-0.4 4,-2.5 -3,-0.3 -1,-0.2 0.919 114.9 51.5 -59.4 -47.2 -1.4 1.2 -4.9 103 103 A A H > S+ 0 0 49 -4,-0.4 4,-2.7 1,-0.2 -1,-0.2 0.897 111.2 49.6 -60.8 -38.0 -4.6 2.4 -3.2 104 104 A F H X S+ 0 0 0 -4,-2.6 4,-3.2 2,-0.2 5,-0.2 0.937 108.6 50.8 -67.4 -44.9 -3.7 6.0 -4.3 105 105 A M H X S+ 0 0 20 -4,-2.4 4,-2.5 -5,-0.2 -2,-0.2 0.923 113.2 47.6 -57.5 -42.5 -3.0 5.0 -7.9 106 106 A E H X S+ 0 0 136 -4,-2.5 4,-1.4 2,-0.2 -2,-0.2 0.944 112.4 48.4 -60.9 -49.5 -6.4 3.2 -7.9 107 107 A A H <>S+ 0 0 27 -4,-2.7 5,-2.3 1,-0.2 3,-0.4 0.934 112.0 49.7 -57.4 -47.3 -8.2 6.2 -6.4 108 108 A L H ><5S+ 0 0 17 -4,-3.2 3,-1.8 1,-0.3 -1,-0.2 0.926 109.9 49.7 -58.0 -47.6 -6.6 8.6 -8.8 109 109 A S H 3<5S+ 0 0 93 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.746 105.9 59.6 -63.9 -22.6 -7.5 6.4 -11.8 110 110 A A T 3<5S- 0 0 88 -4,-1.4 -1,-0.3 -3,-0.4 -2,-0.2 0.509 132.2 -89.7 -84.7 -5.3 -11.1 6.4 -10.4 111 111 A G T < 5 + 0 0 67 -3,-1.8 -3,-0.2 -4,-0.4 -2,-0.1 0.465 69.6 161.6 112.3 5.9 -11.3 10.2 -10.6 112 112 A A < - 0 0 33 -5,-2.3 -1,-0.2 -6,-0.2 2,-0.2 -0.232 46.3-109.7 -57.2 141.0 -9.9 11.2 -7.2 113 113 A D > - 0 0 84 1,-0.1 3,-2.3 -90,-0.0 4,-0.1 -0.515 24.8-126.1 -63.7 138.3 -8.7 14.8 -6.7 114 114 A V G > S+ 0 0 12 -89,-0.3 3,-2.6 1,-0.3 4,-0.2 0.756 105.5 80.8 -63.9 -18.2 -4.9 14.7 -6.4 115 115 A S G > S+ 0 0 23 1,-0.3 3,-0.8 2,-0.1 -1,-0.3 0.753 79.9 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0, 0.0 -3,-0.1 0.707 64.6 82.8 -61.9 -26.7 -16.4 26.3 10.5 276 61 B D - 0 0 76 -4,-0.1 2,-0.7 -5,-0.1 225,-0.0 -0.703 66.9-151.3 -89.9 128.8 -14.0 28.0 12.9 277 62 B L + 0 0 16 -2,-0.4 2,-0.3 17,-0.1 19,-0.1 -0.874 38.3 138.3 -98.1 117.4 -11.1 26.0 14.3 278 63 B F - 0 0 3 -2,-0.7 17,-1.4 140,-0.1 2,-0.4 -0.984 50.1-135.0-153.4 159.6 -10.1 27.4 17.7 279 64 B I E -Qr 294 420B 0 140,-2.5 142,-3.4 -2,-0.3 2,-0.4 -0.981 31.7-171.0-113.1 135.4 -9.0 26.7 21.2 280 65 B R E -Qr 293 421B 51 13,-3.0 13,-3.3 -2,-0.4 2,-0.5 -0.988 12.2-161.6-136.3 127.3 -10.9 28.9 23.7 281 66 B I E -Qr 292 422B 0 140,-3.0 142,-2.6 -2,-0.4 11,-0.2 -0.932 10.4-177.3-112.3 124.1 -10.2 29.3 27.5 282 67 B T E -Q 291 0B 29 9,-2.6 9,-2.2 -2,-0.5 2,-0.2 -0.901 11.7-156.3-127.5 103.9 -13.0 30.8 29.6 283 68 B P E -Q 290 0B 15 0, 0.0 7,-0.2 0, 0.0 117,-0.1 -0.570 3.0-166.6 -72.1 140.7 -12.5 31.4 33.3 284 69 B K E >>> -Q 289 0B 43 5,-3.5 5,-1.9 -2,-0.2 3,-1.1 -0.701 7.6-179.4-129.6 76.7 -15.7 31.5 35.3 285 70 B P G >45S+ 0 0 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-12.1 23.4 21.2 295 80 B S + 0 0 0 -17,-1.4 90,-0.2 -2,-0.3 -16,-0.1 -0.169 61.5 133.8-102.0 38.1 -14.0 22.9 18.0 296 81 B G S S- 0 0 0 90,-0.2 -39,-0.3 -18,-0.1 -40,-0.1 0.201 77.6 -68.0 -72.5-161.4 -12.2 19.6 17.3 297 82 B I S S- 0 0 40 -41,-1.4 59,-0.5 1,-0.1 88,-0.2 0.719 70.1-152.0 -71.9 -20.2 -13.8 16.4 16.1 298 83 B G - 0 0 7 57,-0.2 2,-0.4 86,-0.2 57,-0.2 -0.085 11.0 -92.8 78.5 178.8 -15.6 15.8 19.4 299 84 B M - 0 0 27 86,-0.4 56,-0.4 62,-0.1 62,-0.2 -0.999 22.9-136.2-137.6 135.0 -16.7 12.5 21.0 300 85 B T > - 0 0 19 -2,-0.4 4,-2.5 54,-0.2 5,-0.2 -0.208 42.7 -93.7 -71.6 173.6 -19.9 10.5 20.8 301 86 B K H > S+ 0 0 51 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.951 129.2 47.5 -54.3 -49.6 -21.5 9.0 23.9 302 87 B A H > S+ 0 0 66 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.857 110.8 52.0 -63.0 -36.7 -19.7 5.7 23.2 303 88 B E H > S+ 0 0 76 2,-0.2 4,-3.2 3,-0.2 5,-0.4 0.874 107.2 52.4 -67.2 -39.7 -16.4 7.5 22.6 304 89 B L H X S+ 0 0 0 -4,-2.5 4,-2.0 2,-0.2 5,-0.4 0.963 113.7 43.8 -57.1 -51.6 -16.7 9.4 25.9 305 90 B I H X S+ 0 0 36 -4,-2.2 4,-1.5 -5,-0.2 5,-0.3 0.943 121.4 39.2 -58.1 -49.6 -17.2 6.1 27.8 306 91 B N H X>S+ 0 0 73 -4,-2.6 5,-2.9 3,-0.2 4,-1.3 0.923 119.1 43.6 -71.3 -47.6 -14.4 4.3 25.9 307 92 B N H <5S+ 0 0 68 -4,-3.2 5,-0.3 -5,-0.2 -1,-0.2 0.851 126.4 28.4 -67.5 -37.5 -11.8 7.0 25.7 308 93 B L H <5S+ 0 0 16 -4,-2.0 -1,-0.2 -5,-0.4 -2,-0.2 0.664 129.3 35.8-102.1 -18.9 -12.1 8.4 29.2 309 94 B G H <5S+ 0 0 0 -4,-1.5 -85,-2.0 -5,-0.4 -3,-0.2 0.613 130.0 8.9-112.5 -14.9 -13.2 5.3 31.1 310 95 B T T ><5S+ 0 0 51 -4,-1.3 3,-2.0 -5,-0.3 4,-0.2 0.684 110.9 59.7-134.7 -58.4 -11.4 2.3 29.5 311 96 B I T >> S+ 0 0 11 -6,-0.3 4,-2.7 -5,-0.3 -1,-0.3 0.514 75.0 98.8 -76.1 -2.0 -6.5 4.9 29.2 313 98 B K H <> S+ 0 0 85 -3,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.922 85.9 38.5 -48.3 -55.8 -6.0 1.7 31.3 314 99 B S H <> S+ 0 0 88 -3,-0.6 4,-2.5 1,-0.2 5,-0.3 0.924 115.4 50.8 -68.5 -47.5 -2.7 0.7 29.8 315 100 B G H X S+ 0 0 13 -4,-0.5 4,-2.3 1,-0.2 -1,-0.2 0.898 109.9 51.3 -57.4 -40.8 -1.2 4.2 29.5 316 101 B T H 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