==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL PROTEIN/DNA 15-JAN-10 3LEL . COMPND 2 MOLECULE: HISTONE H3.2; . SOURCE 2 ORGANISM_SCIENTIFIC: XENOPUS LAEVIS; . AUTHOR B.WU,D.VASUDEVAN,C.A.DAVEY . 1540 16 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 73861.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1133 73.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 60 3.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 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 . 3 0.2 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 . 52 3.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 155 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 814 52.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 36 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 2 2 4 0 0 2 12 17 4 0 0 1 0 0 0 1 3 0 0 0 0 1 5 2 8 0 0 RESIDUES PER ALPHA HELIX . 0 16 3 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 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 ANTIPARALLEL BRIDGES PER LADDER . 19 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 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 38 A P 0 0 191 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 125.0 -86.4 36.8 29.8 2 39 A H + 0 0 134 2,-0.0 2,-0.3 0, 0.0 0, 0.0 -0.858 360.0 176.7-113.4 141.2 -83.5 34.5 31.0 3 40 A R - 0 0 211 -2,-0.4 2,-0.2 0, 0.0 0, 0.0 -0.956 14.5-150.9-143.7 125.9 -79.8 34.4 30.1 4 41 A Y - 0 0 129 -2,-0.3 3,-0.1 1,-0.1 5,-0.0 -0.551 35.1 -90.4 -87.9 156.4 -77.1 32.2 31.5 5 42 A R > - 0 0 157 -2,-0.2 3,-2.3 1,-0.1 2,-0.7 -0.372 49.4 -97.1 -65.1 140.2 -73.3 33.1 31.7 6 43 A P T 3 S+ 0 0 114 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.475 114.7 25.8 -61.6 107.1 -71.2 32.2 28.7 7 44 A G T 3> S+ 0 0 22 -2,-0.7 4,-1.5 -3,-0.1 5,-0.1 0.251 91.8 97.0 124.8 -9.0 -69.7 28.9 29.9 8 45 A T H <> S+ 0 0 61 -3,-2.3 4,-1.3 2,-0.2 5,-0.1 0.822 85.8 47.5 -84.6 -31.5 -72.2 27.6 32.4 9 46 A V H > S+ 0 0 57 -4,-0.5 4,-3.1 2,-0.2 5,-0.2 0.894 108.0 60.1 -70.9 -39.8 -74.1 25.3 30.1 10 47 A A H > S+ 0 0 7 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.936 106.3 44.8 -45.3 -57.9 -70.7 24.0 29.0 11 48 A L H X S+ 0 0 13 -4,-1.5 4,-2.1 1,-0.2 -1,-0.2 0.806 112.1 53.0 -59.8 -34.3 -69.9 22.9 32.6 12 49 A R H X S+ 0 0 108 -4,-1.3 4,-1.9 2,-0.2 -1,-0.2 0.922 111.7 46.0 -65.1 -43.8 -73.4 21.4 32.8 13 50 A E H X S+ 0 0 45 -4,-3.1 4,-2.9 2,-0.2 -2,-0.2 0.823 110.9 52.5 -70.3 -36.9 -72.7 19.4 29.6 14 51 A I H X S+ 0 0 0 -4,-2.6 4,-2.9 -5,-0.2 5,-0.3 0.995 113.8 41.5 -58.9 -63.2 -69.3 18.4 30.8 15 52 A R H X S+ 0 0 120 -4,-2.1 4,-1.2 1,-0.2 -2,-0.2 0.817 116.4 53.7 -52.8 -35.7 -70.6 17.0 34.1 16 53 A R H X S+ 0 0 132 -4,-1.9 4,-1.4 -5,-0.2 -1,-0.2 0.956 113.7 37.5 -64.0 -54.4 -73.5 15.6 32.2 17 54 A Y H < S+ 0 0 19 -4,-2.9 649,-0.2 1,-0.2 -2,-0.2 0.830 113.6 55.0 -73.5 -31.9 -71.4 13.6 29.6 18 55 A Q H < S+ 0 0 6 -4,-2.9 648,-0.4 -5,-0.2 -1,-0.2 0.794 108.2 51.7 -70.1 -29.0 -68.7 12.5 32.0 19 56 A K H < S+ 0 0 165 -4,-1.2 -2,-0.2 -5,-0.3 -1,-0.2 0.884 110.5 58.2 -67.9 -41.7 -71.5 11.0 34.2 20 57 A S < - 0 0 29 -4,-1.4 646,-0.5 -5,-0.1 644,-0.0 -0.291 60.1-160.1 -92.2 171.2 -72.9 9.1 31.2 21 58 A T + 0 0 26 644,-0.1 644,-0.4 -2,-0.1 642,-0.1 0.389 44.2 126.8-133.8 -1.2 -71.5 6.5 28.7 22 59 A E S S- 0 0 72 1,-0.1 2,-0.3 642,-0.1 -2,-0.1 -0.285 71.4 -98.6 -61.5 145.4 -73.7 6.5 25.6 23 60 A L - 0 0 36 1,-0.1 4,-0.1 2,-0.0 -1,-0.1 -0.534 31.6-153.8 -67.5 130.5 -72.0 7.0 22.2 24 61 A L + 0 0 6 -2,-0.3 2,-0.3 2,-0.1 -1,-0.1 0.643 68.1 82.3 -91.0 -17.7 -72.4 10.6 21.4 25 62 A I S S- 0 0 6 31,-0.1 2,-0.3 1,-0.1 80,-0.1 -0.664 93.2-103.6 -81.4 143.3 -72.2 10.4 17.6 26 63 A R > - 0 0 106 -2,-0.3 4,-1.3 1,-0.1 5,-0.2 -0.562 30.4-127.7 -69.3 127.7 -75.4 9.4 15.8 27 64 A K H > S+ 0 0 119 -2,-0.3 4,-1.9 1,-0.2 -1,-0.1 0.814 96.9 52.1 -43.2 -54.2 -75.2 5.7 14.8 28 65 A L H > S+ 0 0 97 2,-0.2 4,-1.7 1,-0.2 3,-0.4 0.933 105.5 48.3 -58.4 -59.2 -76.1 6.0 11.1 29 66 A P H >> S+ 0 0 10 0, 0.0 4,-1.7 0, 0.0 3,-1.1 0.933 112.9 50.6 -49.7 -51.0 -73.7 8.7 9.8 30 67 A F H 3X S+ 0 0 0 -4,-1.3 4,-1.9 1,-0.3 3,-0.3 0.878 106.2 55.8 -51.2 -43.8 -70.9 7.0 11.4 31 68 A Q H 3X S+ 0 0 44 -4,-1.9 4,-1.4 -3,-0.4 -1,-0.3 0.820 106.3 51.2 -60.0 -32.3 -72.0 3.7 9.8 32 69 A R H < S+ 0 0 3 -4,-2.3 3,-1.9 1,-0.2 4,-0.3 0.955 114.1 52.1 -70.0 -51.6 -63.6 4.3 3.9 38 75 A A H >X S+ 0 0 1 -4,-3.2 4,-1.8 1,-0.3 3,-1.5 0.772 97.5 70.7 -57.2 -27.2 -63.6 0.5 3.9 39 76 A Q T 3< S+ 0 0 96 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.811 90.0 60.7 -59.3 -32.0 -64.7 0.8 0.2 40 77 A D T <4 S+ 0 0 129 -3,-1.9 -1,-0.3 -4,-0.5 -2,-0.2 0.599 108.7 41.3 -72.8 -11.8 -61.2 2.0 -0.7 41 78 A F T <4 S- 0 0 61 -3,-1.5 2,-0.3 1,-0.4 -2,-0.2 0.767 136.0 -4.2-107.2 -34.7 -59.5 -1.1 0.6 42 79 A K S < S- 0 0 72 -4,-1.8 -1,-0.4 3,-0.0 3,-0.3 -0.876 74.2-130.3-160.0 128.8 -62.0 -3.7 -0.8 43 80 A T S S+ 0 0 92 -2,-0.3 -4,-0.1 1,-0.2 -3,-0.1 -0.413 82.8 22.8 -80.8 154.6 -65.2 -3.0 -2.6 44 81 A D S S+ 0 0 116 1,-0.2 2,-0.5 -2,-0.1 -1,-0.2 0.949 78.4 165.6 56.1 55.5 -68.5 -4.6 -1.6 45 82 A L - 0 0 19 -3,-0.3 2,-0.3 -10,-0.1 111,-0.2 -0.884 27.4-144.7 -99.1 134.1 -67.7 -5.5 1.9 46 83 A R E -a 156 0A 186 109,-2.5 111,-2.7 -2,-0.5 2,-0.5 -0.738 14.1-145.2 -91.2 147.7 -70.4 -6.5 4.4 47 84 A F E -a 157 0A 26 -2,-0.3 111,-0.2 109,-0.2 5,-0.1 -0.957 11.3-129.1-119.0 122.3 -70.1 -5.4 8.1 48 85 A Q > - 0 0 78 109,-1.6 4,-1.5 -2,-0.5 5,-0.2 -0.422 25.5-128.5 -54.4 138.0 -71.2 -7.3 11.1 49 86 A S H > S+ 0 0 91 1,-0.2 4,-1.9 2,-0.2 3,-0.2 0.886 112.4 52.2 -60.8 -39.4 -73.3 -4.9 13.2 50 87 A S H > S+ 0 0 44 1,-0.2 4,-3.1 2,-0.2 -1,-0.2 0.863 106.8 54.3 -60.1 -39.4 -71.1 -5.7 16.2 51 88 A A H > S+ 0 0 0 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.742 108.9 45.7 -71.0 -29.8 -68.0 -4.9 14.0 52 89 A V H X S+ 0 0 9 -4,-1.5 4,-1.5 -3,-0.2 -1,-0.2 0.849 114.5 51.0 -76.2 -34.8 -69.2 -1.5 13.1 53 90 A M H X S+ 0 0 58 -4,-1.9 4,-2.9 2,-0.2 -2,-0.2 0.907 105.9 52.9 -68.4 -45.7 -70.1 -1.0 16.8 54 91 A A H X S+ 0 0 0 -4,-3.1 4,-1.4 1,-0.2 5,-0.2 0.974 109.6 51.0 -50.0 -54.2 -66.7 -2.1 18.0 55 92 A L H X S+ 0 0 0 -4,-1.3 4,-1.9 1,-0.2 -1,-0.2 0.797 111.4 46.5 -56.1 -34.6 -65.2 0.5 15.6 56 93 A Q H X S+ 0 0 4 -4,-1.5 4,-2.2 2,-0.2 5,-0.2 0.930 107.2 56.4 -75.1 -45.3 -67.5 3.3 17.0 57 94 A E H X S+ 0 0 12 -4,-2.9 4,-1.4 1,-0.2 -2,-0.2 0.798 114.9 40.0 -50.0 -32.9 -66.8 2.5 20.6 58 95 A A H X S+ 0 0 4 -4,-1.4 4,-2.7 2,-0.2 -1,-0.2 0.829 109.0 56.4 -94.0 -39.7 -63.1 2.9 19.9 59 96 A S H X S+ 0 0 0 -4,-1.9 4,-2.1 -5,-0.2 -2,-0.2 0.885 112.3 47.7 -52.4 -38.3 -63.3 5.9 17.6 60 97 A E H X S+ 0 0 7 -4,-2.2 4,-2.3 2,-0.2 5,-0.2 0.900 108.8 49.5 -77.8 -46.0 -65.1 7.5 20.5 61 98 A A H X S+ 0 0 26 -4,-1.4 4,-2.5 -5,-0.2 5,-0.4 0.993 111.5 53.5 -47.8 -62.2 -62.7 6.5 23.2 62 99 A Y H X S+ 0 0 7 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.833 111.1 42.3 -42.1 -54.3 -59.9 7.8 21.0 63 100 A L H X S+ 0 0 2 -4,-2.1 4,-2.7 2,-0.2 -1,-0.2 0.916 114.9 48.4 -70.9 -44.3 -61.3 11.3 20.5 64 101 A V H >X S+ 0 0 7 -4,-2.3 4,-2.3 2,-0.2 3,-0.6 0.990 114.1 47.0 -53.2 -64.2 -62.5 11.9 24.1 65 102 A A H 3X S+ 0 0 28 -4,-2.5 4,-1.8 1,-0.3 -2,-0.2 0.859 113.1 51.0 -40.8 -44.9 -59.0 10.8 25.3 66 103 A L H 3X S+ 0 0 3 -4,-2.4 4,-2.8 -5,-0.4 -1,-0.3 0.874 105.8 54.3 -67.6 -37.1 -57.5 13.1 22.7 67 104 A F H S+ 0 0 1 -4,-1.8 5,-1.6 -3,-0.3 3,-0.5 0.910 114.0 53.0 -66.6 -42.4 -54.6 24.8 25.5 75 112 A I H ><5S+ 0 0 40 -4,-2.9 3,-1.6 1,-0.2 4,-0.2 0.924 104.6 56.6 -57.3 -43.8 -54.5 25.2 29.2 76 113 A H H 3<5S+ 0 0 20 -4,-1.4 -1,-0.2 1,-0.3 -2,-0.2 0.819 99.5 58.1 -56.0 -36.2 -50.7 25.1 29.0 77 114 A A T 3<5S- 0 0 12 -4,-1.2 -1,-0.3 -3,-0.5 -2,-0.2 0.130 125.8-104.5 -81.2 23.4 -50.8 28.1 26.6 78 115 A K T < 5S+ 0 0 176 -3,-1.6 2,-0.2 1,-0.2 -3,-0.2 0.915 86.5 119.4 47.4 49.7 -52.6 30.0 29.3 79 116 A R < - 0 0 48 -5,-1.6 -1,-0.2 -4,-0.2 -2,-0.1 -0.813 59.9-154.0-130.6 172.4 -55.9 29.6 27.4 80 117 A V S S+ 0 0 50 -2,-0.2 41,-0.9 -3,-0.1 2,-0.5 0.132 74.3 87.2-130.4 16.4 -59.3 28.0 27.8 81 118 A T E S-b 121 0B 14 -7,-0.2 41,-0.2 39,-0.1 2,-0.2 -0.956 72.4-136.9-122.3 113.8 -60.0 27.5 24.1 82 119 A I E -b 122 0B 1 39,-1.7 41,-1.9 -2,-0.5 44,-0.2 -0.485 31.5-179.0 -67.4 134.8 -58.9 24.3 22.4 83 120 A M >> - 0 0 57 -13,-0.2 3,-1.7 -2,-0.2 4,-1.2 -0.935 42.6 -99.5-135.8 156.7 -57.4 25.2 19.0 84 121 A P H >> S+ 0 0 17 0, 0.0 4,-2.8 0, 0.0 3,-0.8 0.889 120.2 60.4 -43.8 -49.9 -55.9 23.2 16.1 85 122 A K H 3> S+ 0 0 92 1,-0.3 4,-2.5 2,-0.2 5,-0.1 0.827 103.1 53.1 -51.8 -34.3 -52.4 24.0 17.3 86 123 A D H <> S+ 0 0 0 -3,-1.7 4,-2.6 2,-0.2 -1,-0.3 0.901 111.1 45.3 -61.6 -45.3 -53.3 22.2 20.5 87 124 A I H S+ 0 0 24 -4,-2.0 4,-1.3 2,-0.2 5,-0.8 0.890 108.2 55.6 -76.0 -38.4 -50.6 14.4 18.3 92 129 A R H ><5S+ 0 0 53 -4,-2.6 3,-0.7 1,-0.2 -2,-0.2 0.959 112.3 43.7 -53.8 -49.9 -47.0 15.3 17.6 93 130 A I H 3<5S+ 0 0 7 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.715 107.9 58.8 -72.8 -22.4 -46.0 14.3 21.2 94 131 A R H 3<5S- 0 0 48 -4,-1.1 -1,-0.2 2,-0.2 -2,-0.2 0.769 116.0-111.0 -75.0 -26.2 -48.1 11.1 21.1 95 132 A G T <<5S+ 0 0 29 -4,-1.3 2,-1.1 -3,-0.7 -3,-0.1 0.193 82.9 123.0 111.8 -15.5 -46.2 9.8 18.1 96 133 A E S + 0 0 38 1,-0.3 3,-1.3 2,-0.1 4,-0.2 -0.473 360.0 49.7 73.4 -74.8 -70.1 11.8 4.4 102 26 B I G > S+ 0 0 38 -2,-1.8 3,-1.3 1,-0.3 -1,-0.3 0.820 107.7 58.6 -62.7 -30.1 -67.3 13.1 6.6 103 27 B Q G 3 S+ 0 0 90 1,-0.3 -1,-0.3 -3,-0.1 4,-0.2 0.689 84.9 81.4 -68.2 -18.8 -69.5 16.1 7.0 104 28 B G G < S+ 0 0 15 -3,-1.3 2,-1.1 1,-0.1 -1,-0.3 0.672 70.5 87.9 -59.8 -18.0 -72.0 13.6 8.4 105 29 B I S < S- 0 0 6 -3,-1.3 -1,-0.1 -4,-0.2 26,-0.1 -0.750 87.6-135.7 -87.8 99.4 -70.1 14.0 11.6 106 30 B T >> - 0 0 33 -2,-1.1 4,-1.9 1,-0.1 3,-1.3 -0.246 11.6-124.2 -74.2 138.1 -71.9 16.9 13.1 107 31 B K H 3> S+ 0 0 118 1,-0.3 4,-1.8 2,-0.2 5,-0.1 0.848 114.8 51.3 -39.9 -48.1 -70.4 19.9 14.7 108 32 B P H 3> S+ 0 0 68 0, 0.0 4,-2.4 0, 0.0 -1,-0.3 0.864 105.4 55.9 -60.1 -34.9 -72.6 19.3 17.8 109 33 B A H <> S+ 0 0 0 -3,-1.3 4,-1.3 2,-0.2 -2,-0.2 0.896 106.6 49.5 -66.0 -39.7 -71.4 15.6 18.0 110 34 B I H X S+ 0 0 3 -4,-1.9 4,-2.0 2,-0.2 3,-0.2 0.898 109.4 53.6 -62.5 -40.2 -67.8 16.8 18.1 111 35 B R H X S+ 0 0 75 -4,-1.8 4,-2.9 -5,-0.3 -2,-0.2 0.921 103.3 56.0 -58.9 -46.7 -68.9 19.2 20.9 112 36 B R H X S+ 0 0 60 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.838 109.6 46.9 -53.9 -34.7 -70.4 16.3 22.9 113 37 B L H X S+ 0 0 1 -4,-1.3 4,-2.5 -3,-0.2 -1,-0.2 0.855 110.1 50.9 -79.0 -36.5 -67.0 14.6 22.7 114 38 B A H <>S+ 0 0 0 -4,-2.0 5,-3.7 2,-0.2 -2,-0.2 0.908 112.4 49.2 -64.4 -42.3 -65.0 17.7 23.8 115 39 B R H ><5S+ 0 0 12 -4,-2.9 3,-3.5 3,-0.2 -2,-0.2 0.985 110.1 48.3 -56.9 -61.0 -67.4 18.0 26.7 116 40 B R H 3<5S+ 0 0 15 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.901 112.0 52.0 -50.2 -42.2 -67.0 14.3 27.7 117 41 B G T 3<5S- 0 0 5 -4,-2.5 -1,-0.3 -5,-0.1 -2,-0.2 0.354 125.2-105.8 -74.0 4.5 -63.3 15.0 27.4 118 42 B G T < 5 + 0 0 2 -3,-3.5 2,-0.4 1,-0.3 553,-0.3 0.656 67.5 148.8 86.0 17.4 -63.6 18.0 29.7 119 43 B V < - 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0 0 102 -5,-1.5 -1,-0.2 -8,-0.2 -2,-0.1 -0.905 43.0-164.8-117.2 146.6 -60.3 -0.5 55.6 1020 76 M T S S+ 0 0 104 -2,-0.4 69,-4.2 1,-0.1 2,-0.5 0.656 85.0 60.7 -91.3 -27.4 -61.1 3.1 54.4 1021 77 M R E S-n 1089 0N 150 67,-0.2 2,-0.6 -7,-0.1 69,-0.3 -0.920 83.7-134.5-104.5 125.6 -60.3 4.5 57.9 1022 78 M I E -n 1090 0N 1 67,-4.1 69,-2.1 -2,-0.5 72,-0.2 -0.706 25.3-171.3 -81.1 118.2 -56.7 4.1 59.2 1023 79 M I >> - 0 0 69 -2,-0.6 4,-1.3 67,-0.2 3,-0.6 -0.586 43.1 -89.8 -94.7 164.7 -56.7 3.0 62.9 1024 80 M P H >> S+ 0 0 12 0, 0.0 4,-1.7 0, 0.0 3,-0.9 0.886 122.4 63.5 -27.4 -61.4 -53.7 2.7 65.2 1025 81 M R H >> S+ 0 0 26 23,-0.3 4,-3.0 1,-0.3 3,-0.5 0.851 99.8 50.5 -41.9 -55.9 -53.1 -0.9 64.1 1026 82 M H H <> S+ 0 0 3 -3,-0.6 4,-2.9 1,-0.3 -1,-0.3 0.887 107.6 55.5 -49.8 -44.1 -52.3 0.0 60.5 1027 83 M L H S+ 0 0 22 -4,-1.7 4,-3.0 -3,-0.5 5,-0.5 0.961 112.0 52.2 -69.8 -47.3 -48.1 -0.1 63.8 1029 85 M L H X5S+ 0 0 23 -4,-3.0 4,-1.1 1,-0.2 -2,-0.2 0.854 113.9 44.4 -56.7 -38.6 -48.2 -2.5 60.8 1030 86 M A H X5S+ 0 0 5 -4,-2.9 4,-2.5 -5,-0.2 -1,-0.2 0.961 117.0 44.5 -64.0 -52.9 -46.7 0.3 58.6 1031 87 M V H <5S+ 0 0 0 -4,-2.4 7,-0.6 1,-0.2 -2,-0.2 0.939 118.7 38.8 -65.3 -52.5 -44.0 1.3 61.2 1032 88 M R H <5S+ 0 0 44 -4,-3.0 -1,-0.2 1,-0.2 -3,-0.2 0.850 116.8 51.4 -71.2 -34.7 -42.8 -2.1 62.3 1033 89 M N H < S+ 0 0 166 -2,-0.6 4,-1.2 1,-0.2 -1,-0.1 0.753 89.9 48.1 -55.6 -35.3 -37.4 -1.4 58.2 1036 92 M E H > S+ 0 0 40 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.938 106.2 49.9 -82.5 -50.0 -36.5 2.2 58.3 1037 93 M L H > S+ 0 0 0 1,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.888 106.0 63.9 -57.3 -36.7 -39.4 3.9 60.1 1038 94 M N H < S+ 0 0 27 -4,-1.6 6,-0.2 -7,-0.6 -1,-0.2 0.954 99.7 48.9 -47.9 -59.0 -38.9 1.3 62.7 1039 95 M K H >< S+ 0 0 153 -4,-1.2 3,-1.2 1,-0.2 -1,-0.2 0.858 111.6 51.2 -52.8 -39.8 -35.4 2.5 63.6 1040 96 M L H 3< S+ 0 0 7 -4,-1.6 2,-1.5 1,-0.3 3,-0.5 0.996 117.9 35.8 -59.9 -60.2 -36.8 6.0 63.9 1041 97 M L T 3< S+ 0 0 1 -4,-3.0 -1,-0.3 1,-0.2 -2,-0.2 -0.245 86.5 135.0 -86.0 48.1 -39.6 4.9 66.2 1042 98 M G S < S+ 0 0 37 -2,-1.5 -1,-0.2 -3,-1.2 -2,-0.1 0.864 78.6 23.2 -68.3 -39.6 -37.1 2.5 67.7 1043 99 M R S S+ 0 0 180 -3,-0.5 299,-0.6 -4,-0.2 -1,-0.2 0.264 103.0 110.2-113.1 10.7 -37.9 3.2 71.3 1044 100 M V E -o 1342 0O 9 -6,-0.2 2,-0.5 297,-0.2 299,-0.2 -0.573 56.5-146.4 -90.1 150.4 -41.4 4.5 70.7 1045 101 M T E -o 1343 0O 23 297,-2.5 299,-2.2 -2,-0.2 2,-0.5 -0.945 7.1-148.6-123.3 105.9 -44.6 2.7 71.6 1046 102 M I E > -o 1344 0O 11 -2,-0.5 3,-1.4 297,-0.2 4,-0.3 -0.642 29.2-118.1 -75.2 122.6 -47.7 3.2 69.4 1047 103 M A T 3 S- 0 0 7 297,-0.7 -19,-0.1 -2,-0.5 50,-0.1 -0.390 90.4 -0.4 -68.4 136.5 -50.8 3.0 71.6 1048 104 M Q T 3 S+ 0 0 45 135,-0.1 -23,-0.3 -2,-0.1 -1,-0.3 0.721 97.1 126.8 58.9 25.5 -53.2 0.1 70.8 1049 105 M G < - 0 0 2 -3,-1.4 -20,-0.2 1,-0.2 -2,-0.1 0.808 47.9-159.1 -85.7 -33.8 -50.8 -1.0 68.0 1050 106 M G - 0 0 21 -4,-0.3 2,-0.2 133,-0.2 -1,-0.2 -0.335 26.1 -68.4 84.0-170.2 -50.2 -4.6 68.7 1051 107 M V - 0 0 17 129,-0.5 -22,-0.1 131,-0.3 -23,-0.0 -0.721 48.1 -94.1-113.3 166.2 -47.3 -6.7 67.5 1052 108 M L - 0 0 46 -2,-0.2 2,-1.2 1,-0.1 129,-0.1 -0.670 50.0-103.3 -76.5 137.2 -46.3 -8.0 64.0 1053 109 M P + 0 0 91 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.446 67.3 146.5 -66.0 96.7 -47.6 -11.5 63.4 1054 110 M N - 0 0 91 -2,-1.2 2,-0.4 122,-0.1 -2,-0.0 -0.976 28.0-176.1-143.9 127.1 -44.4 -13.6 64.0 1055 111 M I - 0 0 33 -2,-0.4 5,-0.1 2,-0.0 233,-0.1 -0.977 35.7-108.4-122.6 127.5 -43.7 -17.0 65.4 1056 112 M Q > - 0 0 60 -2,-0.4 3,-1.3 232,-0.3 4,-0.5 -0.215 28.5-119.6 -57.0 140.7 -40.1 -18.4 65.8 1057 113 M S G > S+ 0 0 96 1,-0.2 3,-1.1 2,-0.2 -1,-0.1 0.819 106.5 51.5 -47.4 -48.6 -39.2 -21.2 63.4 1058 114 M V G 3 S+ 0 0 92 1,-0.2 -1,-0.2 0, 0.0 -2,-0.1 0.655 98.2 65.2 -74.2 -15.8 -38.5 -24.0 66.0 1059 115 M L G < S+ 0 0 1 -3,-1.3 -1,-0.2 2,-0.1 -2,-0.2 0.631 84.2 91.7 -82.2 -14.2 -41.8 -23.7 67.8 1060 116 M L S < S- 0 0 84 -3,-1.1 2,-0.1 -4,-0.5 -4,-0.0 -0.406 84.1-106.3 -73.9 155.4 -43.7 -24.8 64.7 1061 117 M P + 0 0 105 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.483 44.8 152.9 -89.2 158.7 -44.5 -28.5 64.4 1062 118 M K + 0 0 163 -2,-0.1 0, 0.0 1,-0.1 0, 0.0 0.290 24.3 118.6-133.8 -86.3 -42.9 -31.2 62.1 1063 119 M K 0 0 162 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.559 360.0 360.0 -2.4 98.1 -42.7 -34.9 62.9 1064 120 M T 0 0 162 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.120 360.0 360.0 43.1 360.0 -44.7 -36.8 60.2 1065 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 1066 27 N R 0 0 271 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 105.3 -63.7 30.1 77.7 1067 28 N K - 0 0 152 1,-0.1 3,-0.1 3,-0.0 2,-0.0 -0.405 360.0-114.1 -59.7 128.5 -61.5 27.0 77.5 1068 29 N T - 0 0 111 -2,-0.1 2,-0.1 1,-0.1 -1,-0.1 -0.302 42.5 -81.7 -69.8 154.7 -58.0 27.9 76.4 1069 30 N R - 0 0 194 1,-0.1 2,-0.5 -2,-0.0 -1,-0.1 -0.306 33.7-169.6 -68.7 129.9 -56.7 26.8 73.0 1070 31 N K - 0 0 147 -2,-0.1 -1,-0.1 -3,-0.1 -3,-0.0 -0.670 20.5-169.4-116.3 72.9 -55.3 23.2 72.6 1071 32 N E + 0 0 64 -2,-0.5 2,-0.2 1,-0.1 0, 0.0 -0.237 11.4 164.7 -64.8 147.4 -53.8 23.4 69.1 1072 33 N S - 0 0 43 31,-0.0 4,-0.1 0, 0.0 3,-0.1 -0.666 49.0-100.9-141.0-161.6 -52.5 20.3 67.2 1073 34 N Y S > S+ 0 0 6 -2,-0.2 4,-2.3 22,-0.1 5,-0.2 -0.012 82.8 109.7-117.0 24.4 -51.5 19.0 63.7 1074 35 N A H > S+ 0 0 27 2,-0.2 4,-2.1 1,-0.2 -1,-0.1 0.947 79.2 41.0 -67.5 -52.9 -54.8 17.3 63.0 1075 36 N I H > S+ 0 0 114 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.838 119.5 47.0 -66.9 -34.0 -56.1 19.7 60.2 1076 37 N Y H > S+ 0 0 44 2,-0.2 4,-1.3 1,-0.2 -2,-0.2 0.880 111.3 49.8 -75.1 -40.5 -52.7 19.8 58.6 1077 38 N V H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.902 104.8 61.7 -60.3 -39.5 -52.1 16.1 58.8 1078 39 N Y H X S+ 0 0 111 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.899 100.4 51.2 -55.3 -48.3 -55.5 15.6 57.2 1079 40 N K H X S+ 0 0 84 -4,-1.2 4,-2.4 1,-0.2 -1,-0.2 0.919 111.0 48.1 -53.9 -51.1 -54.5 17.4 54.0 1080 41 N V H X S+ 0 0 2 -4,-1.3 4,-1.6 1,-0.2 5,-0.3 0.872 107.9 55.4 -60.2 -41.7 -51.4 15.3 53.6 1081 42 N L H X S+ 0 0 0 -4,-2.4 4,-1.6 1,-0.2 -1,-0.2 0.919 110.7 46.5 -54.7 -45.0 -53.5 12.2 54.2 1082 43 N K H < S+ 0 0 59 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.887 106.9 56.3 -68.2 -40.2 -55.7 13.3 51.3 1083 44 N Q H < S+ 0 0 123 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.800 121.4 28.6 -65.5 -29.5 -52.8 14.1 49.0 1084 45 N V H < S+ 0 0 44 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.645 144.8 13.4 -97.0 -19.4 -51.5 10.6 49.3 1085 46 N H < + 0 0 14 -4,-1.6 -2,-0.2 -5,-0.3 -1,-0.2 -0.615 56.4 161.0-162.4 84.4 -54.9 9.0 49.9 1086 47 N P S S+ 0 0 89 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 0.823 85.6 58.7 -77.7 -31.7 -58.1 11.1 49.3 1087 48 N D S S+ 0 0 105 -5,-0.2 2,-0.2 -3,-0.1 -5,-0.1 0.778 100.9 71.8 -56.6 -34.6 -60.0 7.8 49.2 1088 49 N T - 0 0 7 -7,-0.2 -67,-0.2 -6,-0.1 2,-0.2 -0.622 61.6-166.4-102.8 147.8 -58.8 7.0 52.8 1089 50 N G E -n 1021 0N 15 -69,-4.2 -67,-4.1 -2,-0.2 2,-0.4 -0.655 12.7-123.0-123.0 179.6 -59.7 8.4 56.3 1090 51 N I E -n 1022 0N 25 -69,-0.3 2,-0.3 -2,-0.2 -67,-0.2 -0.965 12.8-127.2-132.9 138.0 -58.4 8.4 59.9 1091 52 N S > - 0 0 20 -69,-2.1 4,-2.4 -2,-0.4 3,-0.5 -0.670 32.6-120.0 -76.8 136.4 -59.8 7.5 63.4 1092 53 N S H > S+ 0 0 102 -2,-0.3 4,-2.3 1,-0.3 -1,-0.1 0.760 115.7 55.4 -46.5 -31.7 -59.4 10.3 65.9 1093 54 N K H > S+ 0 0 149 2,-0.2 4,-2.4 1,-0.2 -1,-0.3 0.951 108.2 44.9 -66.9 -51.2 -57.2 8.0 67.9 1094 55 N A H > S+ 0 0 0 -3,-0.5 4,-1.8 1,-0.2 -2,-0.2 0.783 111.1 56.9 -63.6 -27.7 -54.8 7.3 65.0 1095 56 N M H X S+ 0 0 26 -4,-2.4 4,-1.7 2,-0.2 -2,-0.2 0.947 105.7 49.4 -62.6 -50.5 -54.9 11.1 64.5 1096 57 N S H >X S+ 0 0 41 -4,-2.3 4,-2.1 2,-0.2 3,-0.9 0.953 109.3 51.2 -51.2 -57.6 -53.7 11.5 68.1 1097 58 N I H 3X S+ 0 0 9 -4,-2.4 4,-2.4 1,-0.3 248,-0.3 0.900 110.0 51.1 -43.2 -50.5 -50.9 9.0 67.6 1098 59 N M H 3X S+ 0 0 1 -4,-1.8 4,-2.1 1,-0.2 -1,-0.3 0.795 106.7 53.9 -62.8 -31.3 -49.9 11.0 64.4 1099 60 N N H S+ 0 0 0 -4,-1.8 5,-3.2 2,-0.2 3,-0.4 0.986 113.1 44.9 -62.5 -60.3 -25.8 25.8 67.5 1118 79 N H H ><5S+ 0 0 61 -4,-1.9 3,-1.3 1,-0.3 -2,-0.2 0.830 111.4 53.1 -56.7 -38.8 -24.2 25.7 71.0 1119 80 N Y H 3<5S+ 0 0 41 -4,-2.9 -1,-0.3 1,-0.3 -2,-0.2 0.903 113.9 43.5 -64.1 -39.5 -21.4 23.4 69.9 1120 81 N N T 3<5S- 0 0 32 -4,-1.4 -1,-0.3 -3,-0.4 -2,-0.2 0.001 115.3-112.9 -94.4 27.0 -20.5 25.8 67.1 1121 82 N K T < 5 + 0 0 168 -3,-1.3 2,-0.4 1,-0.2 -3,-0.2 0.835 69.7 150.0 39.1 40.8 -20.9 28.9 69.3 1122 83 N R < - 0 0 144 -5,-3.2 -1,-0.2 -6,-0.2 -137,-0.2 -0.826 36.1-175.1-101.2 140.4 -23.9 29.8 67.1 1123 84 N S + 0 0 69 -2,-0.4 -137,-2.3 -3,-0.1 2,-0.4 0.227 66.9 71.2-117.2 11.2 -26.9 31.8 68.4 1124 85 N T E -m 986 0M 42 -139,-0.2 2,-0.5 -140,-0.1 -137,-0.2 -0.995 68.8-145.2-128.1 125.2 -29.1 31.5 65.3 1125 86 N I E +m 987 0M 2 -139,-2.6 -137,-3.0 -2,-0.4 -134,-0.3 -0.809 28.5 179.4 -83.1 125.1 -30.8 28.4 64.1 1126 87 N T > - 0 0 47 -2,-0.5 4,-1.8 -139,-0.2 5,-0.1 -0.610 48.4 -96.0-113.8 175.3 -30.9 28.4 60.3 1127 88 N S H > S+ 0 0 33 -2,-0.2 4,-2.7 1,-0.2 5,-0.1 0.842 125.0 63.5 -56.7 -33.7 -32.2 25.9 57.7 1128 89 N R H > S+ 0 0 81 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.929 101.2 48.5 -58.5 -51.1 -28.6 24.6 57.6 1129 90 N E H > S+ 0 0 8 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.949 110.8 51.1 -49.6 -56.1 -28.9 23.6 61.3 1130 91 N I H X S+ 0 0 0 -4,-1.8 4,-1.5 1,-0.2 -2,-0.2 0.896 108.0 54.2 -49.5 -45.0 -32.2 21.9 60.5 1131 92 N Q H X S+ 0 0 43 -4,-2.7 4,-2.1 2,-0.2 3,-0.2 0.922 111.4 42.0 -58.9 -51.1 -30.5 20.0 57.6 1132 93 N T H X S+ 0 0 9 -4,-2.1 4,-3.4 1,-0.2 5,-0.2 0.953 111.5 56.1 -59.6 -52.2 -27.7 18.6 59.7 1133 94 N A H X S+ 0 0 0 -4,-2.7 4,-1.6 1,-0.3 -1,-0.2 0.779 109.2 48.4 -49.1 -32.4 -30.1 17.7 62.5 1134 95 N V H X S+ 0 0 0 -4,-1.5 4,-2.2 -3,-0.2 -1,-0.3 0.878 111.1 47.9 -77.7 -41.8 -32.1 15.8 59.8 1135 96 N R H < S+ 0 0 121 -4,-2.1 -2,-0.2 1,-0.2 -3,-0.2 0.877 115.5 48.0 -63.0 -38.1 -29.0 14.0 58.6 1136 97 N L H < S+ 0 0 7 -4,-3.4 -2,-0.2 -5,-0.1 -1,-0.2 0.854 121.6 32.1 -69.6 -38.7 -28.1 13.2 62.2 1137 98 N L H < S+ 0 0 32 -4,-1.6 -2,-0.2 -5,-0.2 -3,-0.2 0.932 105.5 68.5 -88.6 -52.4 -31.6 12.0 63.3 1138 99 N L S < S- 0 0 6 -4,-2.2 2,-0.3 -5,-0.2 -101,-0.1 -0.438 82.8-113.6 -78.3 145.4 -33.1 10.3 60.3 1139 100 N P >> - 0 0 23 0, 0.0 3,-2.6 0, 0.0 4,-1.4 -0.617 42.7 -87.6 -83.8 136.0 -31.8 7.0 58.8 1140 101 N G H 3> S+ 0 0 42 -2,-0.3 4,-2.6 1,-0.3 5,-0.2 0.419 120.5 38.7 5.1 -89.1 -30.2 6.9 55.3 1141 102 N E H 3> S+ 0 0 92 1,-0.2 4,-1.0 2,-0.2 -1,-0.3 0.766 125.3 42.4 -53.4 -30.1 -33.0 6.3 52.8 1142 103 N L H <> S+ 0 0 4 -3,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.836 110.4 55.5 -81.1 -40.7 -35.3 8.6 54.8 1143 104 N A H X S+ 0 0 11 -4,-1.4 4,-1.9 2,-0.2 -2,-0.2 0.854 105.6 53.8 -60.2 -38.4 -32.6 11.2 55.5 1144 105 N K H X S+ 0 0 68 -4,-2.6 4,-2.3 -5,-0.2 -1,-0.2 0.969 113.3 41.0 -56.7 -58.2 -32.0 11.5 51.7 1145 106 N H H X S+ 0 0 83 -4,-1.0 4,-2.9 1,-0.2 5,-0.3 0.866 111.9 53.8 -64.1 -43.6 -35.6 12.2 50.9 1146 107 N A H X S+ 0 0 0 -4,-2.6 4,-1.3 2,-0.2 -1,-0.2 0.929 111.3 46.0 -58.2 -46.6 -36.3 14.5 53.8 1147 108 N V H X S+ 0 0 16 -4,-1.9 4,-2.6 2,-0.2 5,-0.3 0.915 111.6 53.5 -62.8 -46.3 -33.3 16.8 52.9 1148 109 N S H >X S+ 0 0 64 -4,-2.3 4,-2.7 1,-0.2 3,-0.5 0.973 112.4 42.0 -45.8 -65.6 -34.5 16.7 49.3 1149 110 N E H 3< S+ 0 0 76 -4,-2.9 4,-0.4 1,-0.2 -1,-0.2 0.711 114.4 56.6 -59.4 -20.8 -38.0 17.9 50.2 1150 111 N G H 3X S+ 0 0 0 -4,-1.3 4,-1.1 -5,-0.3 -1,-0.2 0.862 111.6 36.7 -81.0 -40.6 -36.3 20.3 52.6 1151 112 N T H S+ 0 0 5 -4,-0.4 4,-1.5 -5,-0.2 -1,-0.2 0.768 111.4 50.5 -91.2 -32.8 -39.1 23.9 49.8 1154 115 N V H X S+ 0 0 26 -4,-1.1 4,-2.4 2,-0.2 5,-0.3 0.887 107.6 54.7 -71.2 -42.0 -36.6 26.5 50.8 1155 116 N T H X S+ 0 0 72 -4,-2.5 4,-2.2 1,-0.2 3,-0.2 0.961 110.2 45.0 -54.3 -58.0 -35.7 27.2 47.1 1156 117 N K H X S+ 0 0 111 -4,-0.8 4,-0.7 1,-0.2 -1,-0.2 0.865 111.8 55.3 -53.9 -40.2 -39.4 27.9 46.3 1157 118 N Y H < S+ 0 0 46 -4,-1.5 3,-0.4 -192,-0.3 -1,-0.2 0.898 112.6 38.6 -64.1 -44.8 -39.7 30.1 49.4 1158 119 N T H < S+ 0 0 105 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.795 109.6 61.6 -77.9 -28.6 -36.8 32.4 48.6 1159 120 N S H < S+ 0 0 82 -4,-2.2 2,-0.5 -5,-0.3 -1,-0.2 0.609 79.5 103.1 -72.9 -13.9 -37.6 32.6 44.9 1160 121 N A < 0 0 37 -4,-0.7 -196,-0.0 -3,-0.4 -195,-0.0 -0.650 360.0 360.0 -73.0 122.9 -41.0 34.1 45.7 1161 122 N K 0 0 273 -2,-0.5 -3,-0.0 0, 0.0 0, 0.0 -0.725 360.0 360.0 87.5 360.0 -40.7 37.8 45.0 1162 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 1163 38 O P 0 0 188 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 120.0 -63.5 -38.0 72.9 1164 39 O H + 0 0 143 2,-0.0 2,-0.5 0, 0.0 0, 0.0 -0.905 360.0 179.2-139.3 106.8 -61.2 -35.5 71.2 1165 40 O R - 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