==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CHAPERONE 10-AUG-07 2QWQ . COMPND 2 MOLECULE: HEAT SHOCK COGNATE 71 KDA PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR J.JIANG,E.G.MAES,L.WANG,A.B.TAYLOR,A.P.HINCK,E.M.LAFER,R.SOU . 475 2 1 0 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22460.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 347 73.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 21 4.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 61 12.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 7 1.5 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 . 31 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 58 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 162 34.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.3 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 1 2 0 2 1 0 1 1 1 2 0 1 0 1 0 0 3 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 0 1 1 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 PARALLEL BRIDGES PER LADDER . 0 2 1 2 2 0 1 1 1 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 . 2 2 0 2 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 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 4 A G 0 0 87 0, 0.0 137,-0.1 0, 0.0 136,-0.1 0.000 360.0 360.0 360.0 -86.4 11.6 -4.8 -49.8 2 5 A P - 0 0 16 0, 0.0 135,-0.5 0, 0.0 2,-0.3 -0.079 360.0-137.0 -76.4 155.2 10.4 -5.6 -46.3 3 6 A A - 0 0 0 15,-0.2 15,-0.6 368,-0.1 2,-0.2 -0.817 27.1-148.8 -96.6 146.4 7.4 -4.5 -44.2 4 7 A V E -Ab 17 139A 0 134,-1.8 136,-2.1 -2,-0.3 2,-0.5 -0.709 9.3-126.3-114.6 162.8 8.1 -3.7 -40.5 5 8 A G E -Ab 16 140A 0 11,-2.8 11,-2.6 -2,-0.2 2,-0.5 -0.932 24.7-166.6-106.3 132.9 6.2 -4.0 -37.2 6 9 A I E -Ab 15 141A 0 134,-2.6 136,-1.8 -2,-0.5 2,-0.8 -0.971 15.2-156.9-125.6 121.3 6.0 -0.9 -35.1 7 10 A D E -Ab 14 142A 22 7,-2.9 7,-1.4 -2,-0.5 2,-1.1 -0.843 13.5-161.5 -83.1 104.8 4.9 -0.7 -31.5 8 11 A L - 0 0 8 -2,-0.8 2,-0.2 134,-0.6 5,-0.2 -0.779 23.9-172.6 -93.6 98.9 3.8 2.9 -31.1 9 12 A G - 0 0 11 -2,-1.1 59,-0.1 3,-0.5 57,-0.1 -0.619 38.1-120.2-105.2 151.3 3.9 3.1 -27.3 10 13 A T S S+ 0 0 17 -2,-0.2 56,-0.7 1,-0.2 58,-0.2 0.870 112.5 5.7 -46.9 -47.7 2.8 5.7 -24.8 11 14 A T S S+ 0 0 29 1,-0.3 26,-1.9 54,-0.1 2,-0.3 0.725 135.5 26.3-116.7 -31.6 6.4 6.0 -23.4 12 15 A Y E -E 36 0B 52 24,-0.3 -3,-0.5 25,-0.1 2,-0.3 -0.958 60.4-154.5-134.9 150.2 8.6 3.9 -25.7 13 16 A S E -E 35 0B 0 22,-2.7 22,-3.1 -2,-0.3 2,-0.3 -0.928 10.7-170.0-124.0 152.3 8.4 2.8 -29.3 14 17 A C E -A 7 0A 1 -7,-1.4 -7,-2.9 -2,-0.3 2,-0.4 -0.998 6.1-157.5-147.2 135.0 10.0 -0.3 -30.8 15 18 A V E +A 6 0A 0 11,-0.4 11,-2.2 18,-0.4 2,-0.3 -0.949 12.8 178.1-121.7 136.2 10.5 -1.4 -34.3 16 19 A G E -AC 5 25A 0 -11,-2.6 -11,-2.8 -2,-0.4 2,-0.4 -0.918 11.4-154.4-132.0 162.7 11.1 -5.0 -35.6 17 20 A V E -AC 4 24A 0 7,-2.5 7,-2.8 -2,-0.3 2,-0.7 -0.998 14.9-138.8-141.4 132.1 11.5 -6.7 -38.9 18 21 A F E + C 0 23A 36 -15,-0.6 2,-0.3 353,-0.4 5,-0.2 -0.847 47.2 146.5 -89.0 118.8 10.8 -10.3 -40.1 19 22 A Q E > + C 0 22A 41 3,-2.7 3,-1.5 -2,-0.7 -2,-0.1 -0.976 55.6 3.8-162.0 132.1 13.8 -11.0 -42.4 20 23 A H T 3 S- 0 0 165 -2,-0.3 3,-0.1 1,-0.3 -1,-0.0 0.850 128.5 -53.8 51.2 42.4 15.9 -14.1 -43.3 21 24 A G T 3 S+ 0 0 59 1,-0.1 2,-0.3 -3,-0.0 -1,-0.3 0.143 122.8 77.8 89.8 -19.5 13.7 -16.4 -41.2 22 25 A K E < S-C 19 0A 167 -3,-1.5 -3,-2.7 -5,-0.0 2,-0.6 -0.838 76.3-119.3-121.0 156.8 13.9 -14.5 -37.9 23 26 A V E -C 18 0A 17 -2,-0.3 2,-0.5 -5,-0.2 -5,-0.2 -0.863 28.9-161.3 -88.6 123.5 12.4 -11.3 -36.3 24 27 A E E -C 17 0A 66 -7,-2.8 -7,-2.5 -2,-0.6 2,-0.6 -0.943 10.1-148.0-103.3 128.7 15.1 -8.8 -35.5 25 28 A I E -C 16 0A 8 -2,-0.5 2,-0.4 -9,-0.2 -9,-0.2 -0.900 30.8-130.6 -91.8 124.0 14.2 -6.0 -33.0 26 29 A I - 0 0 4 -11,-2.2 -11,-0.4 -2,-0.6 2,-0.1 -0.624 10.1-140.2 -97.3 125.5 16.2 -3.1 -34.3 27 30 A A - 0 0 35 -2,-0.4 6,-0.3 1,-0.1 5,-0.1 -0.458 20.3-127.1 -75.9 146.5 18.5 -0.9 -32.2 28 31 A N > - 0 0 12 4,-2.6 3,-2.3 6,-0.2 -1,-0.1 -0.244 41.1 -83.8 -81.9-179.5 18.6 2.9 -32.8 29 32 A D T 3 S+ 0 0 123 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.577 131.2 55.9 -67.8 -9.2 21.8 4.8 -33.5 30 33 A Q T 3 S- 0 0 128 2,-0.2 -1,-0.3 0, 0.0 -3,-0.0 0.387 123.3-105.1 -97.1 -0.7 22.4 5.1 -29.7 31 34 A G S < S+ 0 0 51 -3,-2.3 2,-0.4 1,-0.3 -2,-0.1 0.420 76.3 137.3 93.3 0.4 22.2 1.3 -29.4 32 35 A N - 0 0 70 1,-0.1 -4,-2.6 -5,-0.1 -1,-0.3 -0.711 44.4-159.4 -94.3 130.4 18.8 1.2 -27.9 33 36 A R S S+ 0 0 94 -2,-0.4 -18,-0.4 -6,-0.3 2,-0.3 0.505 85.4 47.1 -84.2 -12.1 16.1 -1.4 -29.0 34 37 A T S S- 0 0 17 -20,-0.1 -20,-0.2 -9,-0.1 -6,-0.2 -0.934 76.7-154.2-119.0 159.0 13.3 0.8 -27.6 35 38 A T E -E 13 0B 3 -22,-3.1 -22,-2.7 -2,-0.3 14,-0.1 -0.992 23.5-107.9-137.5 122.9 13.0 4.6 -28.3 36 39 A P E -E 12 0B 0 0, 0.0 2,-1.7 0, 0.0 -24,-0.3 -0.210 23.9-129.2 -48.4 135.7 11.3 7.2 -26.1 37 40 A S + 0 0 11 -26,-1.9 2,-0.4 11,-0.1 29,-0.4 -0.415 66.7 133.9 -81.1 58.1 8.1 8.5 -27.7 38 41 A Y - 0 0 28 -2,-1.7 11,-2.0 27,-0.1 2,-0.4 -0.905 39.3-171.8-118.2 134.6 9.4 12.1 -27.1 39 42 A V E -FG 48 64C 0 25,-2.4 25,-3.3 -2,-0.4 2,-0.4 -0.984 10.4-175.5-124.7 123.0 9.6 15.1 -29.4 40 43 A A E -FG 47 63C 0 7,-2.8 7,-3.5 -2,-0.4 2,-0.5 -0.922 9.8-158.4-116.5 140.3 11.5 18.2 -28.3 41 44 A F E +F 46 0C 0 21,-1.7 62,-0.2 -2,-0.4 5,-0.2 -0.975 18.4 169.4-119.8 124.7 11.8 21.5 -30.1 42 45 A T - 0 0 25 3,-2.3 63,-2.1 -2,-0.5 64,-0.1 -0.427 53.7 -83.1-112.8-169.4 14.7 23.9 -29.4 43 46 A D S S+ 0 0 132 61,-0.2 64,-0.1 62,-0.2 3,-0.1 0.760 126.3 20.7 -61.4 -27.4 16.1 27.1 -31.0 44 47 A T S S+ 0 0 109 1,-0.2 2,-0.3 61,-0.0 -1,-0.1 0.571 120.4 24.8-127.1 -17.8 17.9 25.0 -33.5 45 48 A E - 0 0 102 2,-0.0 -3,-2.3 0, 0.0 2,-0.6 -0.999 57.5-123.3-155.2 153.0 16.5 21.5 -34.0 46 49 A R E -F 41 0C 106 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.907 38.8-156.4 -92.8 118.2 13.6 19.1 -33.7 47 50 A L E -F 40 0C 23 -7,-3.5 -7,-2.8 -2,-0.6 2,-0.4 -0.829 10.2-170.4-103.9 133.8 14.8 16.3 -31.4 48 51 A I E > -F 39 0C 24 -2,-0.4 3,-0.6 -9,-0.2 2,-0.3 -0.969 49.0 -16.5-127.5 139.5 13.3 12.8 -31.4 49 52 A G T 3> S+ 0 0 0 -11,-2.0 4,-2.4 -2,-0.4 3,-0.4 -0.546 124.5 3.8 80.4-131.1 13.7 9.8 -29.1 50 53 A D H 3> S+ 0 0 21 -2,-0.3 4,-3.5 1,-0.2 -1,-0.2 0.902 129.5 54.1 -60.2 -49.1 16.6 9.7 -26.7 51 54 A A H <4 S+ 0 0 51 -3,-0.6 4,-0.5 1,-0.2 -1,-0.2 0.829 113.0 46.2 -56.5 -35.6 18.1 13.2 -27.5 52 55 A A H >4 S+ 0 0 0 -3,-0.4 3,-0.6 -14,-0.2 4,-0.3 0.905 114.6 46.3 -69.1 -47.2 14.6 14.6 -26.7 53 56 A K H >< S+ 0 0 37 -4,-2.4 3,-1.3 1,-0.2 -2,-0.2 0.912 108.1 56.5 -63.4 -44.1 14.2 12.6 -23.5 54 57 A N T 3< S+ 0 0 124 -4,-3.5 -1,-0.2 1,-0.2 3,-0.2 0.650 110.6 44.3 -63.3 -19.3 17.7 13.5 -22.3 55 58 A Q T X> S+ 0 0 36 -3,-0.6 4,-0.8 -4,-0.5 3,-0.8 0.369 76.1 108.8-107.7 4.9 17.1 17.2 -22.5 56 59 A V T <4 S+ 0 0 26 -3,-1.3 7,-0.2 -4,-0.3 -1,-0.1 0.691 77.0 57.5 -57.4 -19.6 13.6 17.4 -20.9 57 60 A A T 34 S+ 0 0 15 -3,-0.2 -1,-0.2 -4,-0.2 -2,-0.1 0.895 109.1 41.4 -80.1 -39.7 15.0 19.0 -17.8 58 61 A M T <4 S+ 0 0 140 -3,-0.8 -2,-0.2 1,-0.2 -1,-0.2 0.496 132.1 26.1 -81.3 -6.0 16.6 22.1 -19.6 59 62 A N >< + 0 0 23 -4,-0.8 3,-1.0 1,-0.0 4,-0.5 -0.251 69.8 155.0-156.8 50.8 13.6 22.5 -21.9 60 63 A P T 3 S+ 0 0 28 0, 0.0 3,-0.4 0, 0.0 -2,-0.1 0.763 71.5 53.8 -60.0 -33.3 10.4 21.0 -20.1 61 64 A T T 3 S+ 0 0 77 1,-0.2 29,-0.5 28,-0.1 -5,-0.0 0.668 112.6 42.4 -81.5 -17.6 7.7 23.1 -22.0 62 65 A N S < S+ 0 0 23 -3,-1.0 -21,-1.7 27,-0.1 2,-0.9 0.331 89.2 94.2-113.2 3.4 8.9 22.2 -25.5 63 66 A T E -G 40 0C 0 -4,-0.5 -23,-0.3 -3,-0.4 2,-0.2 -0.869 64.6-160.7 -97.4 99.0 9.5 18.5 -24.9 64 67 A V E +G 39 0C 1 -25,-3.3 -25,-2.4 -2,-0.9 2,-0.3 -0.576 22.1 152.2 -80.1 145.1 6.2 16.8 -26.0 65 68 A F + 0 0 34 -2,-0.2 -27,-0.1 -27,-0.2 -54,-0.1 -0.918 46.7 50.7-158.2 170.6 5.4 13.3 -24.8 66 69 A D > + 0 0 20 -56,-0.7 3,-1.5 -29,-0.4 4,-0.3 0.718 57.0 144.5 65.4 26.8 2.2 11.2 -24.1 67 70 A A G >> + 0 0 6 -30,-0.4 3,-1.6 1,-0.3 4,-1.4 0.781 61.3 72.1 -65.0 -28.1 0.6 12.1 -27.4 68 71 A K G 34 S+ 0 0 18 1,-0.3 -1,-0.3 -58,-0.2 -58,-0.1 0.756 93.7 57.8 -56.1 -24.8 -0.9 8.6 -27.5 69 72 A R G <4 S+ 0 0 29 -3,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.679 110.2 41.2 -79.9 -19.3 -3.2 9.9 -24.8 70 73 A L T X4 S+ 0 0 1 -3,-1.6 3,-1.4 -4,-0.3 -2,-0.2 0.570 88.8 112.5 -98.8 -15.9 -4.4 12.8 -27.1 71 74 A I T 3< S+ 0 0 1 -4,-1.4 3,-0.1 1,-0.2 84,-0.1 -0.385 85.9 7.1 -71.4 131.9 -4.7 10.7 -30.3 72 75 A G T 3 S+ 0 0 24 1,-0.2 2,-0.3 -2,-0.1 -1,-0.2 0.560 106.8 122.9 79.0 10.1 -8.3 10.2 -31.6 73 76 A R < - 0 0 65 -3,-1.4 -1,-0.2 78,-0.1 2,-0.2 -0.742 61.1-128.3-111.4 150.8 -9.7 12.5 -29.0 74 77 A R > - 0 0 160 -2,-0.3 3,-1.4 23,-0.2 6,-0.3 -0.617 27.9-122.7 -82.7 151.7 -11.8 15.7 -28.8 75 78 A F T 3 S+ 0 0 29 21,-0.9 6,-0.2 1,-0.3 22,-0.1 0.883 113.3 58.4 -63.1 -39.1 -10.4 18.6 -26.7 76 79 A D T 3 S+ 0 0 110 20,-0.2 2,-0.3 4,-0.1 -1,-0.3 0.204 80.3 125.8 -78.1 17.1 -13.6 18.6 -24.6 77 80 A D <> - 0 0 45 -3,-1.4 4,-2.1 1,-0.1 3,-0.4 -0.642 66.9-132.9 -75.6 133.2 -12.9 15.0 -23.7 78 81 A A H > S+ 0 0 85 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.893 108.0 53.2 -48.9 -45.9 -12.8 14.3 -19.9 79 82 A V H > S+ 0 0 54 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.841 107.8 49.4 -60.5 -41.6 -9.6 12.4 -20.4 80 83 A V H > S+ 0 0 0 -3,-0.4 4,-2.0 -6,-0.3 -1,-0.2 0.928 114.2 45.4 -62.6 -46.6 -7.9 15.2 -22.3 81 84 A Q H X S+ 0 0 88 -4,-2.1 4,-0.7 2,-0.2 -2,-0.2 0.850 113.4 49.4 -67.7 -42.6 -8.8 17.8 -19.6 82 85 A S H >< S+ 0 0 78 -4,-2.7 3,-0.7 -5,-0.2 4,-0.4 0.956 115.1 43.7 -57.2 -53.0 -7.8 15.5 -16.7 83 86 A D H >X S+ 0 0 9 -4,-2.1 3,-1.5 1,-0.2 4,-0.7 0.777 97.1 73.3 -70.3 -33.2 -4.4 14.8 -18.3 84 87 A M H >< S+ 0 0 52 -4,-2.0 3,-1.0 1,-0.3 -1,-0.2 0.827 88.5 62.5 -49.3 -40.6 -3.5 18.3 -19.4 85 88 A K T << S+ 0 0 184 -3,-0.7 -1,-0.3 -4,-0.7 -2,-0.2 0.812 101.3 53.2 -56.2 -33.6 -2.9 19.4 -15.8 86 89 A H T <4 S+ 0 0 139 -3,-1.5 -1,-0.2 -4,-0.4 -2,-0.2 0.699 93.5 87.0 -79.7 -21.5 -0.0 16.8 -15.6 87 90 A W << - 0 0 23 -3,-1.0 4,-0.1 -4,-0.7 -26,-0.1 -0.595 60.1-155.3 -88.8 140.7 1.9 18.0 -18.7 88 91 A P S S+ 0 0 50 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.641 78.7 77.6 -81.8 -18.9 4.5 20.8 -18.7 89 92 A F S S- 0 0 8 -26,-0.2 2,-0.4 -24,-0.1 -27,-0.1 -0.560 90.1-106.1 -88.5 158.9 3.8 21.5 -22.4 90 93 A M E -H 101 0D 106 11,-1.0 11,-3.0 -29,-0.5 2,-0.5 -0.714 23.9-161.3 -94.8 135.0 0.7 23.4 -23.6 91 94 A V E -H 100 0D 7 -2,-0.4 9,-0.3 9,-0.3 2,-0.2 -0.963 16.3-169.9-113.1 119.8 -2.3 21.8 -25.2 92 95 A V E -H 99 0D 40 7,-1.1 7,-1.8 -2,-0.5 2,-0.6 -0.610 23.4-109.4-108.9 168.0 -4.6 24.2 -27.2 93 96 A N E +H 98 0D 77 -2,-0.2 2,-0.7 5,-0.2 7,-0.0 -0.872 25.9 179.6-100.6 113.2 -8.1 24.0 -28.8 94 97 A D E > S-H 97 0D 68 3,-2.6 3,-0.5 -2,-0.6 -19,-0.1 -0.808 78.1 -49.3-111.0 88.0 -8.3 24.0 -32.6 95 98 A A T 3 S- 0 0 96 -2,-0.7 -1,-0.1 1,-0.2 -2,-0.0 0.878 119.4 -37.4 50.0 48.7 -12.0 23.8 -33.3 96 99 A G T 3 S+ 0 0 21 1,-0.2 -21,-0.9 -22,-0.1 -1,-0.2 0.585 119.5 108.6 86.4 12.1 -12.6 20.8 -30.9 97 100 A R E < -H 94 0D 104 -3,-0.5 -3,-2.6 -23,-0.2 -1,-0.2 -0.987 69.9-121.6-122.5 126.2 -9.3 19.1 -31.8 98 101 A P E +H 93 0D 1 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.376 33.8 175.2 -63.8 141.0 -6.4 19.0 -29.3 99 102 A K E -H 92 0D 27 -7,-1.8 -7,-1.1 13,-0.2 2,-0.5 -0.894 26.9-127.0-134.1 166.1 -3.1 20.5 -30.4 100 103 A V E -HI 91 111D 0 11,-2.1 11,-1.7 -2,-0.3 2,-0.5 -0.984 18.3-149.1-118.3 126.0 0.2 21.0 -28.6 101 104 A Q E +HI 90 110D 59 -11,-3.0 -11,-1.0 -2,-0.5 2,-0.3 -0.826 28.0 160.0 -96.5 128.7 1.7 24.5 -28.6 102 105 A V E - I 0 109D 1 7,-3.5 7,-3.1 -2,-0.5 2,-0.6 -0.911 43.3-110.7-137.1 163.6 5.5 24.7 -28.4 103 106 A E E + I 0 108D 75 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.911 39.9 173.0 -95.3 117.4 8.4 27.1 -29.1 104 107 A Y E > - I 0 107D 49 3,-3.0 3,-1.1 -2,-0.6 -61,-0.2 -0.956 66.8 -18.8-131.3 113.2 10.4 25.9 -32.2 105 108 A K T 3 S- 0 0 116 -63,-2.1 -62,-0.2 -2,-0.4 -1,-0.1 0.865 125.8 -52.3 58.4 42.8 13.2 28.0 -33.7 106 109 A G T 3 S+ 0 0 68 1,-0.2 2,-0.3 -64,-0.1 -1,-0.3 0.046 121.3 98.0 89.9 -25.9 11.9 31.3 -32.1 107 110 A E E < S-I 104 0D 126 -3,-1.1 -3,-3.0 -64,-0.1 2,-0.2 -0.717 77.5-115.9 -97.4 144.8 8.4 30.9 -33.4 108 111 A T E -I 103 0D 77 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.566 40.7-178.0 -68.4 136.7 5.3 29.5 -31.6 109 112 A K E -I 102 0D 94 -7,-3.1 -7,-3.5 -2,-0.2 2,-0.4 -0.989 16.2-157.2-140.2 147.6 4.1 26.3 -33.3 110 113 A S E -I 101 0D 41 -2,-0.3 2,-0.3 -9,-0.3 -9,-0.2 -0.973 9.5-169.2-124.4 145.8 1.2 23.9 -32.7 111 114 A F E -I 100 0D 33 -11,-1.7 -11,-2.1 -2,-0.4 -2,-0.0 -0.977 22.9-120.3-133.2 146.3 0.9 20.3 -33.8 112 115 A Y >> - 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0 0 32 -5,-3.0 2,-0.2 -6,-0.1 -1,-0.2 -0.979 56.4-134.8-132.0 140.3 -13.2 -17.6 -16.1 324 327 A D > - 0 0 91 -2,-0.4 3,-1.9 -3,-0.1 4,-0.1 -0.616 39.7-108.5 -79.6 153.3 -11.6 -19.1 -13.1 325 328 A K G > S+ 0 0 61 1,-0.3 3,-1.3 -2,-0.2 -1,-0.1 0.753 115.8 63.5 -59.5 -28.1 -7.8 -18.6 -13.1 326 329 A S G 3 S+ 0 0 95 1,-0.3 -1,-0.3 3,-0.0 25,-0.0 0.583 90.9 67.9 -72.1 -11.7 -7.1 -22.3 -13.8 327 330 A Q G < S+ 0 0 88 -3,-1.9 2,-0.6 -137,-0.0 -136,-0.3 0.311 76.1 101.3 -91.0 5.1 -8.8 -22.0 -17.2 328 331 A I < - 0 0 3 -3,-1.3 -136,-0.2 1,-0.1 3,-0.1 -0.865 49.6-176.1 -92.1 122.0 -6.0 -19.7 -18.4 329 332 A H + 0 0 67 -138,-2.4 2,-0.4 -2,-0.6 -137,-0.2 0.761 67.3 24.4 -92.1 -32.7 -3.7 -21.8 -20.7 330 333 A D E -k 192 0E 22 -139,-1.6 -137,-3.2 2,-0.0 2,-0.4 -1.000 59.5-164.1-137.0 138.3 -1.0 -19.2 -21.4 331 334 A I E -k 193 0E 0 24,-0.4 26,-2.5 -2,-0.4 2,-0.5 -0.980 14.8-157.1-118.3 134.5 0.1 -16.1 -19.6 332 335 A V E -km 194 357E 0 -139,-2.8 -137,-2.6 -2,-0.4 2,-0.6 -0.955 8.3-144.4-125.2 126.7 2.2 -13.5 -21.5 333 336 A L E +k 195 0E 0 24,-2.7 2,-0.3 -2,-0.5 -137,-0.2 -0.766 30.7 164.1 -94.5 117.9 4.6 -11.0 -20.0 334 337 A V E +k 196 0E 1 -139,-2.5 -137,-2.3 -2,-0.6 29,-0.2 -0.941 32.5 49.3-135.9 148.7 4.6 -7.7 -21.9 335 338 A G S > S- 0 0 8 27,-2.0 3,-1.7 -2,-0.3 28,-0.3 0.360 82.7 -96.2 93.4 139.2 5.9 -4.2 -21.1 336 339 A G G > S+ 0 0 33 1,-0.3 3,-0.8 26,-0.2 -138,-0.2 0.672 118.7 63.5 -62.9 -24.9 9.3 -3.2 -19.7 337 340 A S G > S+ 0 0 6 -140,-2.0 3,-2.3 1,-0.2 -1,-0.3 0.743 84.2 77.1 -70.5 -22.7 8.1 -3.1 -16.1 338 341 A T G < S+ 0 0 0 -3,-1.7 -1,-0.2 -141,-0.6 -2,-0.2 0.465 79.6 75.3 -67.6 1.5 7.3 -6.9 -16.2 339 342 A R G < + 0 0 96 -3,-0.8 -1,-0.3 -4,-0.1 -2,-0.1 0.496 66.5 107.4 -81.0 -8.2 11.0 -7.3 -15.8 340 343 A I S <> S- 0 0 4 -3,-2.3 4,-1.9 1,-0.2 3,-0.2 -0.638 72.3-138.6 -81.6 114.8 10.8 -6.3 -12.1 341 344 A P H > S+ 0 0 32 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.849 99.4 53.9 -40.7 -48.5 11.4 -9.6 -10.3 342 345 A K H > S+ 0 0 84 1,-0.3 4,-2.7 2,-0.2 5,-0.2 0.933 105.7 51.9 -58.2 -53.9 8.7 -9.0 -7.6 343 346 A I H > S+ 0 0 1 -3,-0.2 4,-1.4 2,-0.2 5,-0.3 0.913 109.7 53.1 -38.2 -52.4 6.0 -8.4 -10.3 344 347 A Q H >X S+ 0 0 43 -4,-1.9 4,-2.0 1,-0.2 3,-1.7 0.977 111.4 44.4 -52.5 -65.3 7.2 -11.8 -11.8 345 348 A K H 3X S+ 0 0 131 -4,-2.0 4,-3.0 1,-0.3 5,-0.3 0.809 110.9 53.8 -45.3 -48.0 6.7 -13.6 -8.4 346 349 A L H 3X S+ 0 0 30 -4,-2.7 4,-0.7 1,-0.2 -1,-0.3 0.687 111.4 44.3 -65.7 -27.9 3.3 -12.0 -7.7 347 350 A L H S+ 0 0 41 -4,-2.0 5,-1.7 -5,-0.3 6,-0.5 0.958 111.8 48.9 -62.1 -56.0 3.1 -16.6 -10.8 349 352 A D H ><5S+ 0 0 77 -4,-3.0 3,-2.0 1,-0.2 -1,-0.2 0.900 109.1 55.7 -42.5 -47.9 2.1 -17.2 -7.2 350 353 A F H 3<5S+ 0 0 25 -4,-0.7 -1,-0.2 -5,-0.3 -2,-0.2 0.892 109.3 45.3 -58.4 -38.7 -1.3 -15.9 -8.2 351 354 A F T ><5S- 0 0 12 -4,-1.8 3,-1.5 -3,-0.3 -1,-0.3 0.068 122.4-107.6 -94.5 24.6 -1.5 -18.5 -10.9 352 355 A N T < 5S- 0 0 133 -3,-2.0 -3,-0.2 1,-0.3 -2,-0.1 0.856 76.3 -46.4 54.7 47.6 -0.2 -21.2 -8.5 353 356 A G T 3 > - 0 0 67 -2,-0.5 3,-2.3 1,-0.2 4,-0.9 -0.111 37.7-140.5 -40.4 116.1 12.1 -9.2 -24.0 362 365 A P T 34 S+ 0 0 9 0, 0.0 -27,-2.0 0, 0.0 4,-0.4 0.796 99.3 54.3 -61.8 -30.3 8.7 -8.0 -22.7 363 366 A D T 34 S+ 0 0 30 -28,-0.3 4,-0.2 -29,-0.2 -27,-0.1 0.493 114.1 43.7 -78.9 -4.2 9.2 -4.5 -23.9 364 367 A E T <> S+ 0 0 17 -3,-2.3 4,-2.3 -4,-0.1 -1,-0.2 0.458 88.0 90.9-113.6 -9.2 9.9 -5.8 -27.4 365 368 A A H X S+ 0 0 0 -4,-0.9 4,-2.2 -3,-0.4 -186,-0.2 0.864 84.8 50.6 -60.5 -41.7 7.2 -8.4 -27.6 366 369 A V H > S+ 0 0 5 -4,-0.4 4,-2.2 2,-0.2 -1,-0.2 0.947 113.5 45.2 -61.9 -48.6 4.5 -6.2 -29.2 367 370 A A H > S+ 0 0 0 1,-0.2 4,-1.9 2,-0.2 -351,-0.3 0.834 109.4 58.0 -62.4 -40.1 6.9 -5.0 -32.0 368 371 A Y H X S+ 0 0 66 -4,-2.3 4,-1.9 2,-0.2 3,-0.4 0.968 109.7 43.0 -49.5 -57.1 8.0 -8.7 -32.5 369 372 A G H X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.3 -2,-0.2 0.852 111.0 53.6 -65.5 -39.3 4.4 -9.7 -33.2 370 373 A A H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -1,-0.3 0.826 108.0 52.9 -60.8 -35.5 3.7 -6.7 -35.5 371 374 A A H X S+ 0 0 0 -4,-1.9 4,-1.8 -3,-0.4 -353,-0.4 0.902 108.8 48.6 -65.3 -45.9 6.8 -7.7 -37.5 372 375 A V H X S+ 0 0 13 -4,-1.9 4,-2.0 1,-0.2 -2,-0.2 0.946 114.3 46.4 -57.2 -49.3 5.5 -11.2 -37.9 373 376 A Q H X S+ 0 0 37 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.852 107.8 56.2 -67.3 -33.7 2.1 -9.8 -39.0 374 377 A A H < S+ 0 0 0 -4,-2.2 4,-0.2 2,-0.2 -1,-0.2 0.872 108.4 47.9 -65.7 -37.1 3.7 -7.3 -41.4 375 378 A A H >X>S+ 0 0 0 -4,-1.8 4,-3.1 -3,-0.2 5,-2.6 0.932 112.8 48.6 -66.0 -46.8 5.6 -10.2 -43.2 376 379 A I H 3<5S+ 0 0 34 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.903 107.8 53.7 -59.9 -44.0 2.4 -12.2 -43.4 377 380 A L T 3<5S+ 0 0 8 -4,-2.6 -1,-0.3 1,-0.2 -2,-0.2 0.519 117.3 40.4 -74.5 -2.9 0.4 -9.3 -44.7 378 381 A S T <45S- 0 0 40 -3,-1.1 -2,-0.2 -4,-0.2 -1,-0.2 0.794 114.5-106.3 -99.9 -52.1 3.0 -8.9 -47.5 379 382 A G T <5S+ 0 0 41 -4,-3.1 -3,-0.2 -5,-0.1 3,-0.1 0.484 82.5 123.3 117.6 22.8 3.8 -12.5 -48.5 380 383 A D S 0 0 107 0, 0.0 4,-2.0 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 160.8 -16.6 -28.1 -43.6 386 814 B P H > + 0 0 111 0, 0.0 4,-1.2 0, 0.0 0, 0.0 0.767 360.0 52.1 -62.9 -30.7 -18.3 -27.2 -47.0 387 815 B E H > S+ 0 0 52 2,-0.2 4,-1.1 1,-0.1 5,-0.1 0.839 113.0 42.7 -75.1 -36.2 -16.7 -23.7 -47.2 388 816 B K H > S+ 0 0 86 -3,-0.3 4,-2.2 2,-0.2 5,-0.2 0.837 110.9 54.7 -79.2 -36.8 -13.1 -24.8 -46.6 389 817 B L H X S+ 0 0 107 -4,-2.0 4,-1.6 2,-0.2 5,-0.2 0.876 104.7 57.8 -60.9 -40.0 -13.4 -27.8 -48.9 390 818 B K H X S+ 0 0 93 -4,-1.2 4,-2.1 2,-0.2 -2,-0.2 0.926 110.6 39.7 -52.9 -56.5 -14.5 -25.4 -51.7 391 819 B I H X S+ 0 0 0 -4,-1.1 4,-2.6 1,-0.2 -1,-0.2 0.865 113.9 53.9 -67.5 -40.2 -11.4 -23.2 -51.5 392 820 B L H X S+ 0 0 86 -4,-2.2 4,-1.0 2,-0.2 -1,-0.2 0.754 111.4 45.9 -69.2 -25.2 -9.1 -26.2 -51.0 393 821 B E H X S+ 0 0 122 -4,-1.6 4,-2.1 -3,-0.2 5,-0.2 0.857 110.9 54.0 -78.6 -40.6 -10.5 -27.8 -54.2 394 822 B W H X S+ 0 0 9 -4,-2.1 4,-1.5 1,-0.2 -2,-0.2 0.934 109.9 46.0 -56.1 -53.2 -10.2 -24.4 -56.0 395 823 B I H X>S+ 0 0 36 -4,-2.6 4,-0.6 1,-0.2 5,-0.6 0.886 111.6 55.0 -54.2 -44.3 -6.5 -24.1 -55.2 396 824 B E H ><5S+ 0 0 146 -4,-1.0 3,-0.6 1,-0.2 -2,-0.2 0.905 111.2 38.8 -61.5 -51.5 -5.9 -27.8 -56.2 397 825 B G H 3<5S+ 0 0 52 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.779 109.2 61.1 -73.4 -28.5 -7.3 -27.7 -59.7 398 826 B K H ><5S- 0 0 64 -4,-1.5 3,-1.7 -5,-0.2 -1,-0.2 0.498 90.0-145.2 -86.4 -7.8 -6.0 -24.2 -60.7 399 827 B E T <<5 - 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0 0 21 1,-0.1 3,-1.9 41,-0.1 2,-0.3 -0.369 42.6 -99.8 -64.3 141.8 -18.3 -15.9 -49.0 415 843 B A T 3 S+ 0 0 104 1,-0.2 -1,-0.1 -3,-0.1 3,-0.1 -0.536 113.6 47.3 -62.4 126.3 -22.1 -15.4 -49.5 416 844 B G T 3 S+ 0 0 68 1,-0.4 -1,-0.2 -2,-0.3 2,-0.1 -0.134 77.9 128.7 125.5 -33.8 -22.6 -11.7 -48.7 417 845 B E < + 0 0 48 -3,-1.9 -1,-0.4 1,-0.2 -4,-0.0 -0.342 16.8 155.7 -60.2 123.4 -19.6 -10.4 -50.8 418 846 B T + 0 0 127 -2,-0.1 -1,-0.2 -3,-0.1 -3,-0.0 0.518 53.4 83.2-122.0 -15.4 -20.7 -7.6 -53.2 419 847 B K S S+ 0 0 157 1,-0.1 2,-0.5 25,-0.1 25,-0.1 0.382 80.7 77.8 -77.2 4.7 -17.4 -5.7 -53.9 420 848 B W - 0 0 28 24,-0.1 -1,-0.1 -10,-0.0 21,-0.0 -0.950 58.6-162.1-128.7 116.0 -16.2 -8.2 -56.6 421 849 B K - 0 0 180 -2,-0.5 -11,-0.1 1,-0.1 -3,-0.0 -0.809 36.9-105.9 -90.6 132.1 -17.3 -8.4 -60.2 422 850 B P - 0 0 88 0, 0.0 2,-0.4 0, 0.0 -15,-0.1 -0.310 37.7-147.7 -55.1 137.6 -16.5 -11.8 -62.0 423 851 B V - 0 0 15 -17,-0.4 -14,-0.1 3,-0.0 2,-0.1 -0.943 4.7-148.2-119.8 128.0 -13.6 -11.3 -64.4 424 852 B G > - 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0 0 22 -4,-0.5 4,-2.0 -3,-0.5 3,-0.2 -0.265 50.5-136.7 -55.6 129.3 -7.3 -8.9 -47.1 447 875 B P T 4 S+ 0 0 12 0, 0.0 -1,-0.2 0, 0.0 13,-0.1 0.559 101.2 59.6 -62.7 -13.7 -6.9 -10.6 -43.6 448 876 B a T >4 S+ 0 0 30 2,-0.2 3,-1.0 -281,-0.1 -280,-0.1 0.919 109.3 39.4 -82.2 -48.7 -7.0 -7.2 -41.9 449 877 B K T 34 S+ 0 0 111 1,-0.2 -1,-0.1 -3,-0.2 4,-0.1 0.864 115.2 55.9 -64.6 -36.5 -10.5 -6.2 -43.3 450 878 B A T >< S+ 0 0 1 -4,-2.0 3,-1.7 6,-0.1 6,-0.3 0.508 78.4 125.9 -75.4 -6.8 -11.6 -9.8 -42.7 451 879 B T T < S+ 0 0 84 -3,-1.0 -3,-0.1 1,-0.3 -238,-0.0 -0.360 82.2 5.9 -61.1 125.7 -10.6 -9.7 -39.0 452 880 B G T 3 S+ 0 0 62 1,-0.3 -1,-0.3 -238,-0.1 -2,-0.1 0.162 100.1 127.5 89.8 -15.8 -13.5 -10.7 -36.8 453 881 B Q S X S- 0 0 92 -3,-1.7 3,-1.8 1,-0.1 -1,-0.3 -0.373 71.7-118.5 -77.1 152.2 -15.7 -11.7 -39.7 454 882 B P T 3 S+ 0 0 120 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 0.695 117.1 47.3 -61.9 -18.8 -17.5 -15.1 -40.0 455 883 B Y T >> S+ 0 0 39 1,-0.2 3,-2.6 -5,-0.1 4,-1.7 0.353 75.1 116.1-102.0 1.9 -15.5 -15.7 -43.2 456 884 B E H <> S+ 0 0 19 -3,-1.8 4,-2.0 1,-0.3 5,-0.2 0.794 72.9 56.0 -41.7 -44.2 -12.1 -14.7 -41.8 457 885 B Q H 3> S+ 0 0 45 -4,-0.2 4,-1.1 -3,-0.2 -1,-0.3 0.733 110.4 44.5 -64.4 -25.7 -10.6 -18.2 -42.2 458 886 B Y H <> S+ 0 0 36 -3,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.810 107.5 56.3 -91.6 -36.7 -11.4 -18.3 -45.9 459 887 B A H X S+ 0 0 0 -4,-1.7 4,-2.6 2,-0.2 -2,-0.2 0.915 109.1 49.6 -56.1 -47.0 -10.2 -14.7 -46.7 460 888 B K H X S+ 0 0 66 -4,-2.0 4,-2.5 -5,-0.2 5,-0.2 0.939 109.7 50.9 -55.3 -51.5 -6.8 -15.8 -45.2 461 889 B M H X S+ 0 0 38 -4,-1.1 4,-1.5 2,-0.2 -2,-0.2 0.857 114.5 42.1 -57.8 -42.0 -6.8 -19.0 -47.3 462 890 B I H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 5,-0.2 0.928 112.1 54.6 -74.5 -48.4 -7.5 -17.2 -50.6 463 891 B F H X S+ 0 0 5 -4,-2.6 4,-2.5 -18,-0.3 -2,-0.2 0.930 110.2 46.9 -41.7 -58.1 -5.1 -14.3 -49.8 464 892 B M H X S+ 0 0 57 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.874 112.3 48.1 -62.0 -42.2 -2.2 -16.7 -49.2 465 893 B E H X S+ 0 0 20 -4,-1.5 4,-2.0 -5,-0.2 -1,-0.2 0.843 112.8 49.5 -68.4 -34.5 -2.8 -18.8 -52.4 466 894 B L H X S+ 0 0 0 -4,-2.4 4,-3.2 2,-0.2 -2,-0.2 0.893 107.8 53.4 -69.9 -42.3 -3.1 -15.6 -54.5 467 895 B N H X S+ 0 0 13 -4,-2.5 4,-1.7 -5,-0.2 -2,-0.2 0.894 112.6 44.8 -57.0 -42.4 0.1 -14.2 -53.0 468 896 B D H X S+ 0 0 30 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.873 112.4 52.0 -69.1 -42.7 1.9 -17.4 -54.0 469 897 B A H X S+ 0 0 0 -4,-2.0 4,-1.9 1,-0.2 -67,-0.3 0.938 111.6 47.0 -55.5 -50.9 0.3 -17.4 -57.4 470 898 B W H X S+ 0 0 39 -4,-3.2 4,-2.2 2,-0.2 -2,-0.2 0.848 110.0 51.4 -64.2 -37.0 1.4 -13.8 -58.0 471 899 B S H X S+ 0 0 46 -4,-1.7 4,-1.8 2,-0.2 -1,-0.2 0.861 109.9 50.3 -72.5 -34.1 5.0 -14.5 -56.9 472 900 B E H X S+ 0 0 90 -4,-2.0 4,-1.4 2,-0.2 -1,-0.2 0.857 110.3 51.5 -63.7 -37.2 5.2 -17.4 -59.3 473 901 B F H < S+ 0 0 32 -4,-1.9 -2,-0.2 2,-0.2 -1,-0.2 0.868 109.4 49.3 -67.0 -38.7 3.8 -15.0 -61.9 474 902 B E H < S+ 0 0 129 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.856 109.4 52.0 -66.9 -38.5 6.6 -12.5 -61.1 475 903 B N H < 0 0 130 -4,-1.8 -1,-0.2 -5,-0.1 -2,-0.2 0.810 360.0 360.0 -71.1 -31.8 9.3 -15.1 -61.3 476 904 B Q < 0 0 186 -4,-1.4 -3,-0.0 -5,-0.1 -4,-0.0 -0.080 360.0 360.0 -47.2 360.0 8.2 -16.4 -64.8