==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-MAR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER DNA BINDING PROTEIN 23-AUG-11 3VH5 . COMPND 2 MOLECULE: CENP-S; . SOURCE 2 ORGANISM_SCIENTIFIC: GALLUS GALLUS; . AUTHOR T.NISHINO,K.TAKEUCHI,K.E.GASCOIGNE,A.SUZUKI,T.HORI,T.OYAMA, . 344 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17429.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 275 79.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 2.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.6 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 . 1 0.3 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 . 7 2.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 220 64.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.7 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 2 0 1 2 1 0 1 1 1 0 0 0 0 0 0 0 0 0 1 0 3 0 1 RESIDUES PER ALPHA HELIX . 2 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 0 0 PARALLEL BRIDGES PER LADDER . 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 A 0 0 151 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 113.7 24.6 17.9 -20.9 2 5 A G > + 0 0 58 3,-0.0 4,-2.0 4,-0.0 5,-0.1 0.442 360.0 123.3 74.3 1.3 22.3 17.4 -17.8 3 6 A G H > + 0 0 42 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.870 67.0 47.3 -61.1 -45.6 25.5 18.6 -16.0 4 7 A E H > S+ 0 0 172 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.960 113.9 48.3 -63.4 -49.3 23.9 21.6 -14.3 5 8 A Q H > S+ 0 0 133 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.857 109.8 53.6 -55.8 -38.0 20.9 19.5 -13.1 6 9 A R H X S+ 0 0 122 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.896 106.3 51.9 -66.7 -39.3 23.4 16.9 -11.9 7 10 A E H X S+ 0 0 95 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.906 110.2 49.1 -63.1 -40.6 25.2 19.6 -9.9 8 11 A L H X S+ 0 0 110 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.908 110.2 51.2 -62.0 -40.7 21.9 20.5 -8.3 9 12 A L H X S+ 0 0 33 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.913 108.7 51.6 -63.5 -41.3 21.2 16.9 -7.6 10 13 A I H X S+ 0 0 24 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.928 110.4 47.2 -62.6 -45.1 24.6 16.5 -5.9 11 14 A Q H X S+ 0 0 97 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.902 111.1 53.1 -64.2 -36.9 23.9 19.6 -3.7 12 15 A R H X S+ 0 0 96 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.944 112.7 43.5 -58.5 -49.1 20.5 18.2 -2.8 13 16 A L H X S+ 0 0 0 -4,-2.6 4,-2.8 2,-0.2 5,-0.3 0.901 111.9 52.4 -67.6 -42.2 22.0 14.8 -1.8 14 17 A R H X S+ 0 0 80 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.948 113.2 45.1 -55.5 -49.3 24.9 16.4 0.2 15 18 A A H X S+ 0 0 63 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.845 112.8 50.6 -67.3 -33.9 22.4 18.5 2.1 16 19 A A H X S+ 0 0 15 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.947 112.6 45.5 -68.3 -48.1 20.0 15.6 2.7 17 20 A V H X S+ 0 0 0 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.876 111.4 54.6 -61.4 -37.0 22.8 13.3 4.0 18 21 A H H X S+ 0 0 74 -4,-2.3 4,-2.5 -5,-0.3 -1,-0.2 0.915 106.8 49.8 -65.4 -42.5 24.1 16.2 6.1 19 22 A Y H X S+ 0 0 178 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.958 112.9 46.2 -59.4 -49.0 20.7 16.7 7.8 20 23 A T H X S+ 0 0 5 -4,-2.3 4,-2.6 1,-0.2 5,-0.2 0.869 110.0 54.6 -64.0 -33.1 20.4 13.0 8.6 21 24 A T H X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 -1,-0.2 0.922 107.0 51.5 -66.8 -43.9 23.9 13.0 9.9 22 25 A G H X S+ 0 0 24 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.941 110.5 47.7 -54.0 -51.7 23.0 15.8 12.2 23 26 A A H X S+ 0 0 28 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.942 115.2 44.2 -59.1 -47.1 20.0 13.9 13.6 24 27 A L H X S+ 0 0 0 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.911 112.6 52.2 -63.9 -42.9 22.0 10.7 14.1 25 28 A A H X S+ 0 0 2 -4,-2.7 4,-2.7 1,-0.2 -1,-0.2 0.848 105.7 55.8 -60.6 -37.9 24.9 12.5 15.7 26 29 A Q H X S+ 0 0 118 -4,-2.2 4,-2.6 -5,-0.2 -1,-0.2 0.919 104.2 52.5 -65.2 -41.8 22.5 14.2 18.0 27 30 A D H X S+ 0 0 60 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.939 112.1 46.9 -56.9 -42.1 21.3 10.9 19.2 28 31 A V H X S+ 0 0 4 -4,-1.9 4,-2.7 2,-0.2 5,-0.2 0.923 107.9 54.1 -68.0 -40.6 24.9 9.9 19.9 29 32 A A H X>S+ 0 0 16 -4,-2.7 4,-1.9 1,-0.2 5,-1.4 0.938 110.3 49.2 -56.2 -47.5 25.7 13.2 21.7 30 33 A E H <5S+ 0 0 130 -4,-2.6 3,-0.4 1,-0.2 -2,-0.2 0.945 111.0 48.7 -57.4 -49.9 22.7 12.4 23.9 31 34 A D H <5S+ 0 0 107 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.886 123.1 31.6 -57.4 -42.1 23.9 8.8 24.6 32 35 A K H <5S- 0 0 69 -4,-2.7 -1,-0.2 -5,-0.1 -2,-0.2 0.510 103.9-117.2 -99.6 -5.7 27.5 9.8 25.5 33 36 A G T <5S+ 0 0 52 -4,-1.9 2,-0.3 -3,-0.4 -3,-0.2 0.965 70.6 123.1 63.1 53.0 27.1 13.3 27.0 34 37 A V < - 0 0 8 -5,-1.4 2,-0.4 -6,-0.1 -1,-0.2 -0.858 55.9-131.7-132.3 169.8 29.1 15.2 24.4 35 38 A L E -a 158 0A 116 122,-2.0 124,-3.3 -2,-0.3 2,-0.5 -0.992 17.3-146.7-121.4 132.9 28.6 18.1 22.0 36 39 A F E -a 159 0A 32 -2,-0.4 124,-0.2 122,-0.2 122,-0.1 -0.895 18.9-126.8 -97.6 126.2 29.6 17.7 18.3 37 40 A S > - 0 0 8 122,-2.4 4,-2.2 -2,-0.5 3,-0.3 -0.339 23.0-114.1 -61.5 151.8 30.9 20.9 16.6 38 41 A K H > S+ 0 0 166 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.909 119.4 53.9 -47.6 -47.9 29.1 21.9 13.3 39 42 A Q H > S+ 0 0 102 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.847 106.5 51.2 -62.8 -35.2 32.4 21.2 11.5 40 43 A T H > S+ 0 0 0 -3,-0.3 4,-2.3 119,-0.3 -1,-0.2 0.921 111.3 47.2 -67.0 -45.7 32.5 17.7 13.0 41 44 A V H X S+ 0 0 20 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.947 113.4 48.4 -59.5 -50.6 29.0 16.9 11.9 42 45 A A H X S+ 0 0 38 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.884 110.0 53.5 -57.2 -41.1 29.7 18.3 8.4 43 46 A A H X S+ 0 0 17 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.912 109.8 45.9 -61.8 -44.8 32.9 16.3 8.2 44 47 A I H X S+ 0 0 1 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.886 111.0 54.4 -67.6 -38.3 31.1 13.0 9.0 45 48 A S H X S+ 0 0 8 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.938 110.6 45.2 -56.4 -49.4 28.4 14.0 6.5 46 49 A E H X S+ 0 0 46 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.921 112.2 51.4 -65.8 -41.9 31.1 14.4 3.7 47 50 A I H X S+ 0 0 21 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.891 112.1 47.7 -57.7 -39.8 32.9 11.2 4.7 48 51 A T H X S+ 0 0 0 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.937 109.7 51.6 -70.5 -47.7 29.5 9.4 4.5 49 52 A F H X S+ 0 0 12 -4,-2.7 4,-0.7 1,-0.2 3,-0.4 0.941 112.3 47.8 -49.0 -50.4 28.7 10.9 1.2 50 53 A R H >X S+ 0 0 138 -4,-2.7 3,-1.3 1,-0.2 4,-0.7 0.906 107.4 53.7 -64.0 -44.8 32.1 9.8 -0.2 51 54 A Q H 3X S+ 0 0 32 -4,-2.4 4,-2.2 1,-0.3 3,-0.3 0.786 95.1 70.9 -60.8 -27.2 31.8 6.2 1.1 52 55 A A H 3X S+ 0 0 0 -4,-1.7 4,-2.9 -3,-0.4 -1,-0.3 0.863 90.1 61.8 -56.9 -34.3 28.5 5.9 -0.6 53 56 A E H <>S+ 0 0 1 -4,-2.1 5,-1.8 -5,-0.2 3,-1.2 0.927 111.5 50.8 -72.7 -43.4 24.9 -7.8 -9.0 64 67 A R H ><5S+ 0 0 91 -4,-2.6 3,-3.5 1,-0.3 -2,-0.2 0.925 101.4 62.2 -57.1 -44.4 26.7 -8.1 -12.3 65 68 A H H 3<5S+ 0 0 19 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.747 104.2 50.8 -52.1 -26.8 28.6 -11.1 -11.0 66 69 A A T <<5S- 0 0 23 -3,-1.2 -1,-0.3 -4,-0.5 -2,-0.2 0.158 120.3-111.2 -94.7 9.8 25.2 -12.7 -10.7 67 70 A K T < 5S+ 0 0 163 -3,-3.5 2,-0.4 1,-0.2 -3,-0.2 0.887 82.4 128.5 61.3 39.2 24.2 -11.8 -14.3 68 71 A R < - 0 0 66 -5,-1.8 -2,-0.3 1,-0.1 -1,-0.2 -0.992 51.0-166.6-138.5 124.7 21.8 -9.5 -12.6 69 72 A S S S+ 0 0 40 -2,-0.4 54,-2.4 -3,-0.1 2,-0.4 0.562 73.4 73.3 -92.9 -9.1 21.2 -5.8 -13.2 70 73 A T E S-b 123 0B 54 52,-0.2 2,-0.3 -7,-0.2 54,-0.3 -0.918 80.7-127.2-109.7 133.1 19.1 -5.1 -10.1 71 74 A I E -b 124 0B 0 52,-4.0 54,-2.6 -2,-0.4 57,-0.3 -0.569 32.2-179.7 -81.2 135.5 20.7 -5.1 -6.6 72 75 A T >> - 0 0 29 -2,-0.3 4,-1.4 52,-0.2 3,-0.6 -0.606 46.3 -86.1-123.4-176.9 19.3 -7.3 -3.9 73 76 A S H 3> S+ 0 0 11 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.693 122.5 62.3 -64.0 -23.6 19.7 -8.2 -0.2 74 77 A E H 3> S+ 0 0 99 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.838 102.8 48.8 -72.8 -33.0 22.3 -10.8 -1.2 75 78 A D H <> S+ 0 0 0 -3,-0.6 4,-2.0 2,-0.2 -2,-0.2 0.877 111.7 49.0 -73.2 -38.5 24.5 -8.2 -2.7 76 79 A V H X S+ 0 0 0 -4,-1.4 4,-1.5 2,-0.2 -2,-0.2 0.881 109.8 52.2 -67.7 -41.0 24.2 -6.1 0.5 77 80 A K H >X S+ 0 0 43 -4,-2.1 4,-0.6 2,-0.2 3,-0.6 0.954 110.7 47.4 -56.6 -50.0 25.0 -9.1 2.6 78 81 A L H >< S+ 0 0 12 -4,-2.2 3,-1.1 1,-0.2 4,-0.4 0.890 108.8 55.6 -56.7 -39.2 28.2 -9.7 0.4 79 82 A L H 3< S+ 0 0 0 -4,-2.0 3,-0.3 1,-0.3 -1,-0.2 0.811 109.6 46.7 -65.3 -30.3 29.0 -6.0 0.8 80 83 A A H X< S+ 0 0 0 -4,-1.5 3,-1.5 -3,-0.6 7,-0.5 0.475 84.2 95.2 -91.5 -4.5 28.9 -6.4 4.6 81 84 A R T << + 0 0 37 -3,-1.1 6,-0.2 -4,-0.6 -1,-0.2 0.896 69.8 68.9 -56.6 -42.2 31.0 -9.6 4.9 82 85 A R T 3 S+ 0 0 26 -4,-0.4 2,-0.4 -3,-0.3 -1,-0.3 0.566 100.8 51.8 -62.9 -7.7 34.4 -7.9 5.5 83 86 A S S <> S- 0 0 18 -3,-1.5 4,-3.2 1,-0.1 5,-0.2 -0.919 71.8-162.7-127.8 110.8 33.1 -6.8 9.0 84 87 A N H > S+ 0 0 105 -2,-0.4 4,-2.4 1,-0.2 5,-0.2 0.871 91.6 49.3 -65.3 -40.6 31.7 -9.8 10.9 85 88 A S H > S+ 0 0 98 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.971 114.1 46.7 -55.5 -53.9 29.8 -7.6 13.4 86 89 A L H > S+ 0 0 3 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.900 110.8 52.8 -57.4 -42.6 28.3 -5.6 10.5 87 90 A L H X S+ 0 0 40 -4,-3.2 4,-1.9 -7,-0.5 -1,-0.2 0.891 110.2 47.4 -61.8 -41.5 27.5 -8.8 8.7 88 91 A K H X S+ 0 0 171 -4,-2.4 4,-2.3 -5,-0.2 -2,-0.2 0.945 114.8 46.6 -64.2 -48.1 25.6 -10.2 11.7 89 92 A Y H X S+ 0 0 85 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.954 116.1 42.6 -55.9 -56.2 23.7 -6.9 12.2 90 93 A I H X S+ 0 0 0 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.809 112.9 53.9 -67.4 -31.3 22.7 -6.5 8.5 91 94 A T H X S+ 0 0 39 -4,-1.9 4,-2.5 -5,-0.3 -1,-0.2 0.898 108.1 49.9 -69.9 -39.1 21.8 -10.1 8.2 92 95 A Q H X S+ 0 0 90 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.979 112.2 47.9 -56.2 -56.0 19.5 -9.8 11.2 93 96 A K H X S+ 0 0 56 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.898 111.8 50.6 -49.3 -46.8 18.0 -6.8 9.6 94 97 A S H X S+ 0 0 5 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.882 108.7 49.6 -64.9 -43.4 17.6 -8.6 6.3 95 98 A D H X S+ 0 0 86 -4,-2.5 4,-2.4 2,-0.2 5,-0.2 0.928 107.3 56.8 -59.4 -43.9 15.9 -11.7 7.9 96 99 A E H X S+ 0 0 95 -4,-2.6 4,-0.5 1,-0.2 -2,-0.2 0.899 108.0 47.3 -55.1 -43.0 13.6 -9.2 9.6 97 100 A L H >< S+ 0 0 44 -4,-2.0 3,-2.1 -5,-0.2 -1,-0.2 0.946 106.5 59.0 -57.8 -49.8 12.6 -7.9 6.2 98 101 A A H 3< S+ 0 0 76 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.893 100.5 53.4 -50.0 -48.5 12.2 -11.5 4.9 99 102 A S H 3< 0 0 101 -4,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.738 360.0 360.0 -58.4 -20.1 9.5 -12.3 7.5 100 103 A S << 0 0 141 -3,-2.1 -1,-0.2 -4,-0.5 -2,-0.0 -0.747 360.0 360.0 83.6 360.0 7.8 -9.1 6.1 101 !* 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 0.0 102 6 D G 0 0 68 0, 0.0 2,-0.3 0, 0.0 -82,-0.0 0.000 360.0 360.0 360.0 -93.9 15.9 9.0 12.8 103 7 D G - 0 0 34 33,-0.0 2,-0.3 34,-0.0 31,-0.1 -0.980 360.0 -62.5-176.8 175.0 17.5 7.4 9.7 104 8 D F - 0 0 16 29,-0.3 2,-0.2 -2,-0.3 33,-0.1 -0.598 51.5-124.8 -76.7 134.5 18.2 7.7 6.0 105 9 D R > - 0 0 123 -2,-0.3 4,-2.3 1,-0.1 5,-0.2 -0.497 14.8-121.8 -78.1 149.7 15.2 7.9 3.7 106 10 D K H > S+ 0 0 104 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.925 111.9 52.3 -52.6 -52.1 14.7 5.5 0.8 107 11 D E H > S+ 0 0 80 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.922 110.2 48.5 -53.1 -47.9 14.7 8.2 -1.8 108 12 D T H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.928 113.4 45.8 -61.0 -49.4 17.9 9.7 -0.5 109 13 D V H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.935 112.9 51.0 -61.1 -45.1 19.7 6.4 -0.5 110 14 D E H X S+ 0 0 60 -4,-3.0 4,-2.8 1,-0.2 5,-0.2 0.941 113.9 42.6 -59.6 -49.5 18.4 5.4 -4.0 111 15 D R H X S+ 0 0 72 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.898 112.6 55.0 -62.4 -40.6 19.5 8.7 -5.6 112 16 D L H X S+ 0 0 1 -4,-2.6 4,-0.6 -5,-0.3 -1,-0.2 0.890 113.3 41.7 -58.8 -42.9 22.8 8.5 -3.7 113 17 D L H >X S+ 0 0 0 -4,-2.5 3,-1.2 2,-0.2 4,-0.9 0.931 112.0 52.0 -73.5 -46.5 23.5 5.1 -5.1 114 18 D R H >< S+ 0 0 82 -4,-2.8 3,-0.7 1,-0.3 -2,-0.2 0.864 100.4 66.5 -58.2 -36.0 22.3 5.8 -8.7 115 19 D L H 3< S+ 0 0 21 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.859 108.5 37.3 -49.7 -40.3 24.6 8.8 -8.7 116 20 D H H << S+ 0 0 25 -3,-1.2 -1,-0.2 -4,-0.6 -2,-0.2 0.537 84.8 117.0 -97.6 -6.7 27.6 6.5 -8.6 117 21 D F << - 0 0 25 -4,-0.9 -60,-0.1 -3,-0.7 -61,-0.0 -0.351 50.7-155.5 -64.1 137.1 26.6 3.5 -10.8 118 22 D R S S+ 0 0 111 1,-0.1 2,-0.4 -61,-0.1 -1,-0.1 0.403 79.2 66.2 -94.0 3.6 28.8 3.1 -13.8 119 23 D D S > S- 0 0 52 1,-0.1 3,-2.1 -50,-0.1 -1,-0.1 -0.973 72.4-147.8-128.4 121.2 26.0 1.3 -15.7 120 24 D G T 3 S+ 0 0 67 -2,-0.4 -1,-0.1 1,-0.3 -3,-0.1 0.749 97.8 53.0 -55.5 -30.7 22.8 3.1 -16.7 121 25 D R T 3 S+ 0 0 137 2,-0.0 -1,-0.3 -51,-0.0 2,-0.2 0.535 80.1 118.8 -84.7 -6.5 20.6 -0.0 -16.3 122 26 D T < + 0 0 5 -3,-2.1 2,-0.3 -8,-0.1 -52,-0.2 -0.396 40.9 177.6 -66.0 129.1 21.8 -0.8 -12.7 123 27 D R E -b 70 0B 106 -54,-2.4 -52,-4.0 -2,-0.2 2,-0.4 -0.888 24.4-141.0-129.3 164.2 18.9 -0.7 -10.2 124 28 D V E -b 71 0B 14 -2,-0.3 -52,-0.2 -54,-0.3 -54,-0.1 -0.988 20.4-137.6-124.6 122.5 18.4 -1.3 -6.4 125 29 D N > - 0 0 54 -54,-2.6 4,-1.9 -2,-0.4 5,-0.1 -0.193 30.7 -99.0 -74.4 174.7 15.3 -3.1 -5.1 126 30 D G H > S+ 0 0 30 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.857 118.5 50.9 -65.6 -42.4 13.5 -1.9 -2.0 127 31 D D H > S+ 0 0 74 2,-0.2 4,-3.0 1,-0.2 -1,-0.2 0.955 110.7 49.1 -59.3 -54.1 14.9 -4.4 0.5 128 32 D A H > S+ 0 0 0 -57,-0.3 4,-2.9 1,-0.2 -1,-0.2 0.877 109.5 54.3 -51.1 -42.2 18.5 -3.5 -0.5 129 33 D L H X S+ 0 0 8 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.904 110.8 44.2 -61.6 -41.4 17.6 0.2 -0.2 130 34 D L H X S+ 0 0 68 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.942 113.5 50.9 -67.9 -46.4 16.4 -0.3 3.4 131 35 D L H X S+ 0 0 2 -4,-3.0 4,-2.7 1,-0.2 -2,-0.2 0.934 110.9 48.5 -53.2 -50.3 19.4 -2.5 4.2 132 36 D M H X S+ 0 0 0 -4,-2.9 4,-2.7 1,-0.2 -1,-0.2 0.854 106.6 57.0 -62.4 -35.3 21.7 0.1 2.8 133 37 D A H X S+ 0 0 11 -4,-1.9 4,-2.3 2,-0.2 -29,-0.3 0.938 109.7 45.4 -60.5 -45.4 19.9 2.8 4.8 134 38 D E H X S+ 0 0 43 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.925 111.6 52.2 -59.8 -46.2 20.7 0.7 8.0 135 39 D L H X S+ 0 0 0 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.911 111.6 46.2 -57.3 -44.9 24.3 0.2 6.8 136 40 D L H X S+ 0 0 0 -4,-2.7 4,-2.6 2,-0.2 -1,-0.2 0.896 110.6 52.7 -66.9 -42.2 24.7 4.0 6.3 137 41 D K H X S+ 0 0 54 -4,-2.3 4,-2.8 -5,-0.2 5,-0.2 0.931 109.9 48.8 -57.2 -46.3 23.1 4.8 9.7 138 42 D V H X S+ 0 0 26 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.903 108.8 54.3 -61.1 -41.6 25.5 2.4 11.4 139 43 D F H X S+ 0 0 0 -4,-2.1 4,-2.6 -5,-0.2 -2,-0.2 0.972 111.9 43.3 -57.8 -52.7 28.4 4.0 9.6 140 44 D V H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 5,-0.2 0.901 113.7 49.2 -58.6 -47.3 27.4 7.5 10.9 141 45 D R H X S+ 0 0 80 -4,-2.8 4,-2.6 1,-0.2 -1,-0.2 0.888 112.4 50.3 -63.1 -37.3 26.7 6.3 14.4 142 46 D E H X S+ 0 0 58 -4,-2.5 4,-2.7 -5,-0.2 5,-0.3 0.920 109.8 48.7 -65.6 -46.0 30.1 4.6 14.4 143 47 D A H X S+ 0 0 6 -4,-2.6 4,-2.3 -5,-0.2 -2,-0.2 0.921 116.0 44.5 -59.5 -44.0 32.0 7.6 13.2 144 48 D A H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.906 113.5 48.8 -67.9 -43.0 30.3 9.8 15.8 145 49 D A H X S+ 0 0 12 -4,-2.6 4,-2.6 -5,-0.2 -2,-0.2 0.908 113.2 47.8 -66.0 -41.3 30.7 7.3 18.7 146 50 D R H X S+ 0 0 53 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.929 113.1 46.6 -66.3 -45.3 34.4 6.8 17.8 147 51 D A H X S+ 0 0 0 -4,-2.3 4,-2.4 -5,-0.3 -2,-0.2 0.929 112.5 51.8 -62.3 -43.3 35.1 10.5 17.6 148 52 D A H X S+ 0 0 0 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.936 109.4 49.3 -52.5 -50.9 33.2 11.0 20.9 149 53 D R H X S+ 0 0 118 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.934 109.4 52.3 -56.4 -47.2 35.3 8.3 22.6 150 54 D Q H X S+ 0 0 39 -4,-2.6 4,-0.7 1,-0.2 -1,-0.2 0.901 110.6 47.6 -58.2 -42.9 38.5 10.0 21.3 151 55 D A H <>S+ 0 0 0 -4,-2.4 5,-2.8 1,-0.2 3,-0.4 0.854 110.7 51.9 -66.3 -34.2 37.4 13.3 22.7 152 56 D Q H ><5S+ 0 0 85 -4,-2.2 3,-2.0 1,-0.2 -2,-0.2 0.867 101.9 58.3 -72.4 -32.6 36.5 11.7 26.1 153 57 D A H 3<5S+ 0 0 87 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.728 107.1 50.0 -69.6 -19.7 39.9 10.1 26.4 154 58 D E T 3<5S- 0 0 102 -4,-0.7 -1,-0.3 -3,-0.4 -2,-0.2 0.210 121.1-113.1 -95.9 6.8 41.3 13.6 26.2 155 59 D D T < 5S+ 0 0 152 -3,-2.0 2,-0.3 1,-0.2 -3,-0.2 0.790 71.9 136.7 65.8 31.4 38.9 14.7 28.9 156 60 D L < - 0 0 79 -5,-2.8 -1,-0.2 -8,-0.1 -2,-0.1 -0.849 47.1-160.9-107.4 143.2 36.9 17.0 26.5 157 61 D E S S+ 0 0 148 -2,-0.3 -122,-2.0 -123,-0.1 2,-0.5 0.734 77.0 75.9 -82.2 -28.9 33.1 17.3 26.2 158 62 D K E S-a 35 0A 105 -124,-0.2 2,-0.5 -7,-0.1 -122,-0.2 -0.753 71.3-147.1 -96.8 123.7 33.3 18.8 22.7 159 63 D V E -a 36 0A 0 -124,-3.3 -122,-2.4 -2,-0.5 -119,-0.3 -0.780 23.2-171.4 -87.4 126.5 34.1 16.7 19.7 160 64 D D >> - 0 0 46 -2,-0.5 4,-1.3 -13,-0.2 3,-1.3 -0.716 40.8 -98.6-118.5 162.7 36.1 18.6 17.1 161 65 D I H 3> S+ 0 0 56 1,-0.3 4,-2.7 -2,-0.2 5,-0.2 0.850 120.8 63.3 -52.1 -33.1 37.1 17.9 13.5 162 66 D E H 3> S+ 0 0 121 1,-0.2 4,-2.4 2,-0.2 -1,-0.3 0.903 99.9 52.0 -57.3 -43.3 40.5 16.8 14.8 163 67 D H H <> S+ 0 0 8 -3,-1.3 4,-2.2 2,-0.2 -1,-0.2 0.905 110.8 48.1 -61.0 -41.8 38.9 13.9 16.8 164 68 D V H X S+ 0 0 6 -4,-1.3 4,-1.8 2,-0.2 -2,-0.2 0.945 112.0 48.5 -60.8 -51.8 37.1 12.7 13.6 165 69 D E H < S+ 0 0 111 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.873 110.1 53.3 -57.5 -39.1 40.2 12.9 11.6 166 70 D K H < S+ 0 0 122 -4,-2.4 4,-0.4 -5,-0.2 -1,-0.2 0.937 116.7 36.6 -63.2 -45.3 42.1 11.0 14.3 167 71 D V H X S+ 0 0 15 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.658 96.5 86.3 -84.0 -14.0 39.6 8.2 14.3 168 72 D L H X S+ 0 0 45 -4,-1.8 4,-3.0 1,-0.2 5,-0.3 0.889 82.9 50.8 -58.1 -50.3 38.7 8.0 10.6 169 73 D P H > S+ 0 0 82 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.935 113.4 45.7 -60.3 -45.4 41.4 5.7 9.1 170 74 D Q H > S+ 0 0 98 -4,-0.4 4,-3.1 2,-0.2 5,-0.3 0.920 112.7 53.2 -58.8 -43.1 40.8 3.0 11.7 171 75 D L H X S+ 0 0 2 -4,-2.0 4,-2.5 1,-0.2 -1,-0.2 0.950 110.6 44.7 -57.7 -52.6 37.1 3.4 11.1 172 76 D L H < S+ 0 0 59 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.877 115.7 48.8 -59.5 -40.3 37.4 3.0 7.3 173 77 D L H < S+ 0 0 34 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.922 115.3 43.1 -63.5 -44.0 39.7 0.0 7.8 174 78 D D H < S+ 0 0 51 -4,-3.1 -2,-0.2 -5,-0.2 -1,-0.2 0.751 112.4 62.9 -76.0 -27.8 37.3 -1.6 10.4 175 79 D F < 0 0 11 -4,-2.5 -3,-0.1 -5,-0.3 -95,-0.0 -0.012 360.0 360.0 -82.7-167.4 34.3 -0.9 8.4 176 80 D V 0 0 15 -93,-0.1 -1,-0.2 -95,-0.0 -96,-0.1 -0.475 360.0 360.0-102.0 360.0 33.5 -2.2 4.9 177 !* 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 0.0 178 533 T E 0 0 211 0, 0.0 2,-0.3 0, 0.0 106,-0.1 0.000 360.0 360.0 360.0 -56.6 49.5 -29.5 7.2 179 534 T P + 0 0 37 0, 0.0 2,-0.3 0, 0.0 108,-0.0 -0.500 360.0 144.9 -72.1 132.3 49.7 -27.9 3.7 180 535 T E - 0 0 98 -2,-0.3 2,-0.1 104,-0.0 3,-0.1 -0.992 53.6 -83.7-156.4 161.8 51.3 -24.5 3.5 181 536 T I - 0 0 9 -2,-0.3 30,-0.1 26,-0.1 29,-0.1 -0.442 61.3 -97.0 -60.5 134.1 53.5 -22.3 1.3 182 537 T A > - 0 0 55 -2,-0.1 4,-2.0 1,-0.1 3,-0.2 -0.258 24.6-130.8 -55.0 137.9 57.2 -23.1 1.8 183 538 T S H > S+ 0 0 61 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.880 105.7 57.3 -54.6 -44.4 58.9 -20.8 4.2 184 539 T S H > S+ 0 0 93 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.875 107.1 47.6 -58.7 -40.5 61.8 -20.1 1.8 185 540 T L H > S+ 0 0 25 -3,-0.2 4,-2.7 2,-0.2 5,-0.3 0.917 110.2 51.0 -69.4 -45.1 59.4 -18.8 -0.9 186 541 T I H X S+ 0 0 4 -4,-2.0 4,-2.5 1,-0.2 5,-0.3 0.928 112.9 48.4 -55.1 -43.4 57.6 -16.5 1.5 187 542 T K H X S+ 0 0 110 -4,-2.5 4,-2.6 1,-0.2 5,-0.4 0.918 109.0 52.5 -65.4 -44.5 61.0 -15.2 2.6 188 543 T Q H X S+ 0 0 59 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.944 115.1 40.6 -54.8 -52.4 62.1 -14.7 -1.0 189 544 T I H X S+ 0 0 10 -4,-2.7 4,-2.3 2,-0.2 5,-0.2 0.980 116.4 47.4 -64.7 -54.5 59.1 -12.7 -1.9 190 545 T F H X S+ 0 0 0 -4,-2.5 4,-2.6 -5,-0.3 -2,-0.2 0.930 118.3 40.8 -52.1 -53.2 58.8 -10.6 1.2 191 546 T S H X S+ 0 0 46 -4,-2.6 4,-2.0 -5,-0.3 -1,-0.2 0.876 109.0 59.8 -66.9 -39.3 62.5 -9.7 1.3 192 547 T H H < S+ 0 0 115 -4,-2.4 -1,-0.2 -5,-0.4 -2,-0.2 0.910 115.5 36.9 -52.4 -42.5 62.6 -9.1 -2.5 193 548 T Y H < S+ 0 0 68 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.924 115.9 49.9 -76.5 -44.7 60.0 -6.5 -1.9 194 549 T V H < S- 0 0 0 -4,-2.6 -3,-0.2 -5,-0.2 -2,-0.2 0.858 71.8-162.8 -75.2 -38.6 61.0 -4.9 1.4 195 550 T K < + 0 0 154 -4,-2.0 -3,-0.1 1,-0.2 -4,-0.1 0.849 59.1 102.7 62.5 29.4 64.8 -4.3 0.8 196 551 T T S S- 0 0 25 -5,-0.2 -1,-0.2 133,-0.0 -2,-0.1 -0.990 84.5 -90.8-144.1 144.5 65.1 -4.0 4.5 197 552 T P - 0 0 67 0, 0.0 132,-3.0 0, 0.0 2,-0.4 -0.348 42.3-170.4 -61.1 139.7 66.5 -6.3 7.2 198 553 T V B -c 329 0C 21 130,-0.2 132,-0.2 -2,-0.0 -7,-0.0 -1.000 18.4-124.2-133.1 129.0 63.8 -8.6 8.7 199 554 T T > - 0 0 48 130,-2.6 4,-1.7 -2,-0.4 0, 0.0 -0.277 22.4-113.8 -72.1 160.7 64.3 -10.8 11.8 200 555 T R H > S+ 0 0 188 1,-0.2 4,-1.7 2,-0.2 3,-0.2 0.935 117.6 48.9 -52.8 -55.0 63.7 -14.6 11.8 201 556 T D H > S+ 0 0 74 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.842 104.8 59.6 -59.7 -35.1 60.8 -14.3 14.3 202 557 T A H > S+ 0 0 0 127,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.928 103.0 52.8 -59.1 -43.5 59.3 -11.6 12.1 203 558 T Y H X S+ 0 0 22 -4,-1.7 4,-2.7 1,-0.2 -2,-0.2 0.885 102.2 58.0 -59.1 -38.8 59.2 -14.1 9.3 204 559 T K H X S+ 0 0 94 -4,-1.7 4,-2.3 1,-0.2 -1,-0.2 0.917 106.3 50.0 -58.2 -38.6 57.3 -16.5 11.6 205 560 T I H X S+ 0 0 40 -4,-1.9 4,-2.7 2,-0.2 -2,-0.2 0.922 108.0 52.2 -62.5 -43.7 54.8 -13.7 11.9 206 561 T V H X S+ 0 0 0 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.918 108.5 51.8 -59.5 -43.2 54.6 -13.4 8.1 207 562 T E H X S+ 0 0 36 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.936 110.5 46.7 -57.6 -50.1 54.0 -17.2 7.8 208 563 T K H X S+ 0 0 105 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.926 111.1 52.9 -60.6 -41.9 51.1 -17.1 10.2 209 564 T A H X S+ 0 0 6 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.856 107.8 52.2 -57.5 -36.3 49.7 -14.1 8.4 210 565 T S H X S+ 0 0 2 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.901 106.1 52.5 -71.1 -41.3 49.9 -16.1 5.2 211 566 T E H X S+ 0 0 85 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.941 112.2 46.4 -54.8 -48.4 48.0 -19.0 6.7 212 567 T R H X S+ 0 0 146 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.889 106.6 58.8 -64.2 -37.7 45.3 -16.6 7.7 213 568 T Y H X S+ 0 0 2 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.920 108.7 44.9 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