==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HORMONE/GROWTH FACTOR 31-OCT-02 1N4H . COMPND 2 MOLECULE: NUCLEAR RECEPTOR ROR-BETA; . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; . AUTHOR C.STEHLIN-GAON,D.WILLMANN,S.SANGLIER,A.VAN DORSSELAER,J.- . 254 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12828.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 194 76.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 7 2.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 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 0.4 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 . 3 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 149 58.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.8 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 0 2 2 1 1 0 0 1 0 0 1 0 0 1 0 1 2 0 0 1 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 0 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 T >> 0 0 124 0, 0.0 4,-1.8 0, 0.0 3,-0.9 0.000 360.0 360.0 360.0 107.6 14.7 -0.8 27.6 2 2 A M H 3> + 0 0 141 1,-0.3 4,-2.9 2,-0.2 5,-0.2 0.789 360.0 67.5 -56.7 -29.3 17.5 1.6 28.8 3 3 A S H 3> S+ 0 0 74 2,-0.2 4,-2.0 1,-0.2 -1,-0.3 0.924 104.6 41.2 -58.5 -45.5 20.0 -0.6 26.9 4 4 A E H <> S+ 0 0 56 -3,-0.9 4,-2.9 2,-0.2 5,-0.3 0.935 113.0 53.5 -68.6 -45.8 18.5 0.5 23.5 5 5 A I H X S+ 0 0 30 -4,-1.8 4,-2.4 1,-0.2 -2,-0.2 0.920 111.0 47.2 -55.4 -45.8 18.1 4.1 24.6 6 6 A D H X S+ 0 0 87 -4,-2.9 4,-2.8 2,-0.2 -1,-0.2 0.924 112.2 48.2 -64.2 -44.9 21.8 4.2 25.6 7 7 A R H X S+ 0 0 158 -4,-2.0 4,-2.5 -5,-0.2 -2,-0.2 0.928 112.0 49.7 -62.3 -43.6 23.0 2.6 22.3 8 8 A I H X S+ 0 0 29 -4,-2.9 4,-2.1 2,-0.2 -1,-0.2 0.938 112.6 48.5 -58.9 -47.4 20.9 4.9 20.2 9 9 A A H X S+ 0 0 10 -4,-2.4 4,-2.7 -5,-0.3 5,-0.2 0.948 111.5 47.5 -58.7 -52.9 22.2 7.9 22.1 10 10 A Q H X S+ 0 0 106 -4,-2.8 4,-3.0 1,-0.2 5,-0.2 0.907 110.1 53.7 -55.9 -44.3 25.9 6.9 21.8 11 11 A N H X S+ 0 0 36 -4,-2.5 4,-2.5 -5,-0.2 -1,-0.2 0.912 111.7 44.6 -58.0 -44.7 25.5 6.2 18.1 12 12 A I H X S+ 0 0 0 -4,-2.1 4,-2.8 2,-0.2 -1,-0.2 0.917 113.5 49.3 -67.8 -43.2 24.1 9.7 17.5 13 13 A I H X S+ 0 0 40 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.937 112.9 48.6 -61.4 -44.4 26.7 11.4 19.7 14 14 A K H X S+ 0 0 114 -4,-3.0 4,-2.0 -5,-0.2 -2,-0.2 0.933 111.2 49.9 -60.3 -46.7 29.4 9.5 17.8 15 15 A S H X S+ 0 0 1 -4,-2.5 4,-1.2 -5,-0.2 -2,-0.2 0.935 110.7 49.3 -58.5 -47.4 27.9 10.4 14.5 16 16 A H H >X S+ 0 0 6 -4,-2.8 4,-0.8 1,-0.2 3,-0.7 0.925 108.3 54.1 -57.1 -46.7 27.8 14.1 15.4 17 17 A L H 3< S+ 0 0 126 -4,-2.5 3,-0.3 1,-0.2 -1,-0.2 0.889 116.1 39.0 -55.4 -40.4 31.4 13.9 16.6 18 18 A E H 3< S+ 0 0 80 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.538 118.0 46.2 -90.8 -6.1 32.4 12.6 13.2 19 19 A T H << S+ 0 0 2 -4,-1.2 2,-0.3 -3,-0.7 50,-0.3 0.287 72.0 110.1-126.1 15.4 30.2 14.7 10.9 20 20 A C < - 0 0 9 -4,-0.8 3,-0.1 -3,-0.3 42,-0.0 -0.677 68.3-128.8 -86.2 146.9 30.2 18.4 11.8 21 21 A Q S S+ 0 0 35 -2,-0.3 2,-0.4 1,-0.2 -1,-0.1 0.855 102.1 37.0 -60.4 -32.2 31.9 20.6 9.3 22 22 A Y S S- 0 0 51 -3,-0.0 -1,-0.2 4,-0.0 -3,-0.1 -0.978 81.1-146.0-125.3 121.4 33.8 22.0 12.3 23 23 A T > - 0 0 53 -2,-0.4 4,-2.2 -3,-0.1 5,-0.2 -0.352 31.5-108.6 -76.8 164.6 35.0 19.9 15.2 24 24 A M H > S+ 0 0 54 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.886 120.2 55.5 -60.7 -38.0 35.0 21.4 18.7 25 25 A E H > S+ 0 0 138 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.945 108.3 45.9 -60.9 -48.6 38.8 21.4 18.5 26 26 A E H > S+ 0 0 84 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.878 112.1 53.2 -62.5 -37.8 38.9 23.4 15.3 27 27 A L H X S+ 0 0 7 -4,-2.2 4,-0.5 1,-0.2 -1,-0.2 0.913 104.4 54.8 -63.7 -43.6 36.3 25.8 16.7 28 28 A H H >< S+ 0 0 135 -4,-2.6 3,-0.6 1,-0.2 4,-0.3 0.896 112.2 43.4 -58.4 -40.0 38.4 26.4 19.9 29 29 A Q H 3< S+ 0 0 140 -4,-1.7 3,-0.4 1,-0.2 -1,-0.2 0.818 115.4 48.3 -74.7 -30.0 41.3 27.4 17.7 30 30 A L H >< S+ 0 0 42 -4,-1.9 3,-0.6 1,-0.2 -1,-0.2 0.368 84.0 105.1 -88.4 3.3 39.1 29.5 15.4 31 31 A A T << S+ 0 0 35 -3,-0.6 2,-1.1 -4,-0.5 -1,-0.2 0.903 78.6 43.3 -48.6 -55.5 37.5 31.1 18.5 32 32 A W T 3 S+ 0 0 242 -3,-0.4 2,-0.3 -4,-0.3 -1,-0.3 -0.553 86.6 109.8 -97.8 68.5 39.3 34.5 18.2 33 33 A Q < + 0 0 73 -2,-1.1 84,-4.2 -3,-0.6 2,-0.3 -0.815 32.3 164.4-146.5 100.1 39.0 35.1 14.5 34 34 A T B -a 117 0A 75 -2,-0.3 84,-0.2 82,-0.3 78,-0.1 -0.867 46.4 -98.0-111.8 149.1 36.7 37.9 13.1 35 35 A H - 0 0 15 82,-2.5 84,-0.1 -2,-0.3 -1,-0.0 -0.346 42.6-113.6 -64.0 148.1 37.0 39.2 9.6 36 36 A T > - 0 0 64 1,-0.1 4,-2.3 82,-0.0 5,-0.2 -0.286 30.1-102.3 -74.8 168.2 38.9 42.4 9.3 37 37 A Y H > S+ 0 0 208 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.872 125.0 53.4 -60.9 -35.5 37.2 45.6 8.2 38 38 A E H > S+ 0 0 139 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.899 109.0 48.3 -65.0 -40.4 38.7 45.2 4.7 39 39 A E H > S+ 0 0 64 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.878 112.6 48.7 -67.8 -36.8 37.3 41.6 4.5 40 40 A I H X S+ 0 0 16 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.912 111.4 49.4 -68.5 -41.8 33.9 42.9 5.7 41 41 A K H X S+ 0 0 121 -4,-2.7 4,-1.6 1,-0.2 -2,-0.2 0.913 107.5 55.5 -62.6 -41.5 34.0 45.7 3.1 42 42 A A H X S+ 0 0 50 -4,-2.5 4,-1.1 1,-0.2 3,-0.4 0.916 107.3 49.8 -56.4 -44.6 34.9 43.1 0.5 43 43 A Y H < S+ 0 0 18 -4,-1.9 3,-0.4 1,-0.2 -1,-0.2 0.881 110.7 48.8 -62.4 -39.8 31.7 41.2 1.4 44 44 A Q H < S+ 0 0 63 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.707 108.8 54.7 -74.0 -19.3 29.5 44.2 1.2 45 45 A S H < S+ 0 0 95 -4,-1.6 -1,-0.2 -3,-0.4 -2,-0.2 0.671 84.7 102.6 -86.8 -19.7 31.0 45.1 -2.2 46 46 A K S < S- 0 0 81 -4,-1.1 -3,-0.0 -3,-0.4 2,-0.0 -0.239 82.7-105.4 -59.7 153.4 30.2 41.7 -3.7 47 47 A S > - 0 0 51 1,-0.1 4,-2.4 79,-0.0 5,-0.2 -0.285 29.6-107.9 -73.5 169.6 27.2 41.7 -6.0 48 48 A R H > S+ 0 0 66 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.884 122.7 48.8 -66.3 -36.4 24.0 40.2 -4.7 49 49 A E H > S+ 0 0 58 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.918 110.7 50.3 -67.8 -45.2 24.5 37.3 -7.1 50 50 A A H > S+ 0 0 30 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.941 113.9 43.1 -60.4 -49.4 28.1 36.8 -6.0 51 51 A L H X S+ 0 0 0 -4,-2.4 4,-2.9 1,-0.2 5,-0.2 0.917 113.0 52.7 -65.1 -41.9 27.3 36.8 -2.3 52 52 A W H X S+ 0 0 6 -4,-2.2 4,-2.7 -5,-0.2 -1,-0.2 0.909 108.9 50.4 -58.3 -43.2 24.3 34.5 -2.8 53 53 A Q H X S+ 0 0 52 -4,-2.5 4,-1.7 2,-0.2 -1,-0.2 0.891 111.2 48.4 -62.6 -39.6 26.4 32.1 -4.7 54 54 A Q H X S+ 0 0 34 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.923 113.3 47.2 -65.4 -44.7 29.0 32.1 -1.9 55 55 A C H X S+ 0 0 13 -4,-2.9 4,-2.6 1,-0.2 5,-0.2 0.890 108.9 54.7 -63.5 -40.1 26.2 31.6 0.7 56 56 A A H X S+ 0 0 0 -4,-2.7 4,-2.2 -5,-0.2 -1,-0.2 0.872 109.3 48.1 -62.0 -38.5 24.7 28.8 -1.4 57 57 A I H X S+ 0 0 93 -4,-1.7 4,-2.8 2,-0.2 -2,-0.2 0.929 111.8 48.1 -69.1 -45.3 28.1 26.9 -1.5 58 58 A Q H X S+ 0 0 43 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.914 114.4 46.8 -61.6 -43.8 28.6 27.3 2.3 59 59 A I H X S+ 0 0 35 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.918 113.0 48.5 -64.3 -44.3 25.1 26.0 3.0 60 60 A T H X S+ 0 0 8 -4,-2.2 4,-2.3 -5,-0.2 -2,-0.2 0.908 109.4 54.0 -62.0 -40.8 25.5 23.1 0.6 61 61 A H H X S+ 0 0 70 -4,-2.8 4,-1.1 1,-0.2 -2,-0.2 0.947 111.9 44.0 -58.2 -48.4 28.8 22.3 2.2 62 62 A A H X S+ 0 0 11 -4,-2.3 4,-1.1 1,-0.2 -1,-0.2 0.837 111.1 54.5 -66.5 -34.9 27.1 22.2 5.6 63 63 A I H X S+ 0 0 0 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.868 101.1 58.9 -67.9 -36.5 24.2 20.2 4.2 64 64 A Q H X S+ 0 0 85 -4,-2.3 4,-1.5 1,-0.2 -1,-0.2 0.878 105.2 50.6 -60.6 -36.0 26.5 17.5 2.8 65 65 A Y H X S+ 0 0 81 -4,-1.1 4,-2.1 1,-0.2 -1,-0.2 0.803 105.1 55.7 -71.6 -29.5 27.8 17.0 6.3 66 66 A V H X S+ 0 0 0 -4,-1.1 4,-2.5 2,-0.2 -1,-0.2 0.872 104.8 54.0 -69.5 -34.5 24.2 16.6 7.6 67 67 A V H X S+ 0 0 3 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.917 109.1 47.3 -63.3 -42.3 23.7 13.8 5.1 68 68 A E H X S+ 0 0 78 -4,-1.5 4,-1.3 2,-0.2 -2,-0.2 0.896 109.2 55.6 -64.7 -39.1 26.8 12.1 6.5 69 69 A F H >< S+ 0 0 0 -4,-2.1 3,-0.5 -50,-0.3 -2,-0.2 0.942 109.6 45.7 -56.8 -49.9 25.4 12.6 10.0 70 70 A A H >< S+ 0 0 0 -4,-2.5 3,-1.7 1,-0.2 7,-0.3 0.890 107.3 56.7 -62.6 -43.6 22.2 10.9 9.0 71 71 A K H 3< S+ 0 0 44 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.773 105.4 52.6 -61.6 -26.7 23.9 7.9 7.2 72 72 A R T << S+ 0 0 110 -4,-1.3 2,-0.8 -3,-0.5 -1,-0.3 0.399 87.2 93.9 -91.5 3.5 25.8 7.1 10.4 73 73 A I X> - 0 0 2 -3,-1.7 4,-2.1 -4,-0.2 3,-0.7 -0.863 65.6-155.3 -98.5 108.2 22.6 7.0 12.6 74 74 A T H 3> S+ 0 0 79 -2,-0.8 4,-0.8 1,-0.3 -1,-0.2 0.898 91.7 50.5 -46.3 -55.1 21.5 3.4 12.7 75 75 A G H 34 S+ 0 0 18 1,-0.2 3,-0.3 2,-0.2 4,-0.3 0.828 109.2 52.7 -57.2 -34.0 17.9 4.2 13.4 76 76 A F H X4 S+ 0 0 0 -3,-0.7 3,-2.0 1,-0.2 -1,-0.2 0.948 106.3 51.0 -68.3 -48.1 17.8 6.6 10.5 77 77 A M H 3< S+ 0 0 71 -4,-2.1 -1,-0.2 -7,-0.3 -2,-0.2 0.605 101.8 64.1 -66.5 -10.0 19.1 4.1 7.9 78 78 A E T 3< S+ 0 0 150 -4,-0.8 -1,-0.3 -3,-0.3 -2,-0.2 0.581 82.6 95.2 -87.1 -12.0 16.5 1.7 9.1 79 79 A L S < S- 0 0 10 -3,-2.0 5,-0.1 -4,-0.3 -3,-0.0 -0.512 96.5 -90.4 -75.4 149.2 13.7 4.0 7.8 80 80 A C >> - 0 0 42 -2,-0.1 4,-1.9 1,-0.1 3,-0.6 -0.285 39.5-112.5 -58.3 148.0 12.5 3.1 4.3 81 81 A Q H 3> S+ 0 0 76 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.810 113.7 61.0 -53.9 -35.9 14.5 5.0 1.7 82 82 A N H 3> S+ 0 0 79 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.933 108.8 41.9 -59.3 -46.2 11.6 7.1 0.7 83 83 A D H <> S+ 0 0 0 -3,-0.6 4,-3.0 2,-0.2 5,-0.3 0.853 108.4 59.7 -70.7 -33.7 11.2 8.6 4.1 84 84 A Q H X S+ 0 0 12 -4,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.947 107.8 47.0 -56.3 -48.3 15.0 9.0 4.5 85 85 A I H X S+ 0 0 12 -4,-2.2 4,-2.9 1,-0.2 5,-0.2 0.922 112.6 49.2 -58.7 -47.3 14.9 11.3 1.4 86 86 A L H X S+ 0 0 31 -4,-1.8 4,-2.4 1,-0.2 5,-0.3 0.912 110.4 49.6 -61.1 -45.9 11.9 13.3 2.8 87 87 A L H X S+ 0 0 0 -4,-3.0 4,-2.3 1,-0.2 -1,-0.2 0.928 114.8 44.9 -60.6 -44.7 13.5 13.8 6.2 88 88 A L H X S+ 0 0 1 -4,-2.3 4,-2.4 -5,-0.3 5,-0.2 0.935 113.6 48.2 -66.2 -46.0 16.7 15.0 4.6 89 89 A K H < S+ 0 0 67 -4,-2.9 4,-0.3 1,-0.2 -2,-0.2 0.918 121.3 35.7 -61.9 -43.7 15.1 17.3 2.0 90 90 A S H < S+ 0 0 49 -4,-2.4 4,-0.2 -5,-0.2 -1,-0.2 0.795 129.6 32.1 -82.0 -26.6 12.8 18.9 4.6 91 91 A G H X S+ 0 0 0 -4,-2.3 4,-2.2 -5,-0.3 5,-0.2 0.512 86.1 93.1-112.6 -2.2 15.2 19.0 7.5 92 92 A C H X S+ 0 0 2 -4,-2.4 4,-2.2 1,-0.2 5,-0.1 0.929 93.5 44.1 -56.9 -48.0 18.8 19.4 6.2 93 93 A L H > S+ 0 0 20 -4,-0.3 4,-2.4 -5,-0.2 -1,-0.2 0.854 109.9 56.3 -67.1 -33.4 18.8 23.2 6.5 94 94 A E H > S+ 0 0 7 -4,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.902 108.8 47.3 -65.0 -39.1 17.1 23.0 10.0 95 95 A V H X S+ 0 0 0 -4,-2.2 4,-2.9 2,-0.2 5,-0.2 0.914 110.3 52.1 -67.5 -41.7 20.0 20.8 11.2 96 96 A V H X S+ 0 0 21 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.900 108.7 51.8 -59.7 -39.8 22.5 23.1 9.6 97 97 A L H X S+ 0 0 13 -4,-2.4 4,-0.8 2,-0.2 -1,-0.2 0.910 110.6 47.1 -64.0 -43.3 20.9 26.0 11.5 98 98 A V H >< S+ 0 0 1 -4,-1.9 3,-1.2 1,-0.2 4,-0.3 0.953 114.0 47.8 -63.2 -46.9 21.1 24.1 14.8 99 99 A R H >< S+ 0 0 19 -4,-2.9 3,-2.1 1,-0.3 4,-0.5 0.835 99.6 67.9 -62.5 -33.0 24.7 23.2 14.1 100 100 A M H >< S+ 0 0 43 -4,-2.3 3,-1.6 1,-0.3 12,-0.3 0.815 86.9 69.3 -56.9 -29.0 25.5 26.8 13.2 101 101 A C G X< S+ 0 0 10 -3,-1.2 3,-1.0 -4,-0.8 -1,-0.3 0.738 89.0 62.8 -63.4 -21.1 24.9 27.7 16.9 102 102 A R G < S+ 0 0 32 -3,-2.1 -1,-0.3 -4,-0.3 -2,-0.2 0.742 108.0 43.4 -72.6 -25.4 28.1 25.9 17.7 103 103 A A G < S+ 0 0 12 -3,-1.6 9,-2.4 -4,-0.5 2,-0.4 -0.174 93.5 104.2-113.7 38.4 29.9 28.4 15.6 104 104 A F E < -B 111 0A 11 -3,-1.0 7,-0.2 7,-0.2 5,-0.0 -0.972 59.6-146.4-123.9 132.9 28.1 31.6 16.8 105 105 A N E >> -B 110 0A 47 5,-3.0 5,-1.4 -2,-0.4 4,-0.8 -0.860 9.3-167.6-100.1 104.8 29.6 34.1 19.3 106 106 A P T 45S+ 0 0 43 0, 0.0 -1,-0.1 0, 0.0 5,-0.0 0.504 79.0 66.6 -70.7 -3.7 26.7 35.4 21.4 107 107 A L T 45S+ 0 0 159 1,-0.1 -2,-0.0 3,-0.1 33,-0.0 0.888 121.1 13.2 -84.5 -41.6 28.8 38.3 22.8 108 108 A N T 45S- 0 0 77 -3,-0.5 -1,-0.1 2,-0.1 -3,-0.0 0.219 103.6-118.0-117.1 13.0 29.2 40.2 19.6 109 109 A N T <5 + 0 0 65 -4,-0.8 11,-0.5 1,-0.2 2,-0.3 0.934 62.4 144.8 49.1 59.4 26.6 38.4 17.5 110 110 A T E < -B 105 0A 11 -5,-1.4 -5,-3.0 9,-0.2 2,-0.3 -0.921 34.4-153.3-124.6 150.8 29.0 37.0 14.9 111 111 A V E -BC 104 118A 7 7,-2.4 7,-2.1 -2,-0.3 2,-0.5 -0.936 29.5-101.9-124.9 147.7 28.9 33.7 13.1 112 112 A L E + C 0 117A 17 -9,-2.4 2,-0.4 -2,-0.3 5,-0.3 -0.562 49.5 167.5 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S- 0 0 36 -47,-0.2 2,-0.2 -48,-0.2 -1,-0.2 0.285 70.5-155.9 -15.1 87.7 21.5 22.4 33.3 194 194 A L S S+ 0 0 135 -3,-0.1 -1,-0.1 2,-0.1 -4,-0.1 -0.594 76.1 24.8 -75.0 140.6 20.4 21.9 36.9 195 195 A D S S+ 0 0 142 -2,-0.2 0, 0.0 -5,-0.1 0, 0.0 0.778 91.7 174.1 65.3 110.4 16.8 23.1 37.2 196 196 A D + 0 0 105 1,-0.1 -2,-0.1 2,-0.0 -3,-0.0 0.415 54.7 167.3-113.7-118.0 15.5 22.8 33.7 197 197 A E > + 0 0 113 4,-0.0 4,-3.0 0, 0.0 5,-0.2 0.119 63.0 127.1 99.9 -5.1 12.4 23.2 31.5 198 198 A T H > + 0 0 8 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.868 62.5 46.8 -46.5 -55.0 15.3 22.9 29.1 199 199 A L H > S+ 0 0 18 1,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.941 115.1 48.1 -58.2 -46.2 14.0 20.1 27.0 200 200 A A H > S+ 0 0 60 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.894 111.4 50.2 -60.7 -40.8 10.6 21.8 26.8 201 201 A K H < S+ 0 0 80 -4,-3.0 4,-0.4 2,-0.2 -1,-0.2 0.861 112.2 48.1 -66.3 -35.8 12.3 25.1 25.8 202 202 A L H >< S+ 0 0 0 -4,-2.5 3,-1.9 -5,-0.2 4,-0.5 0.960 111.3 48.6 -67.8 -51.8 14.3 23.3 23.1 203 203 A I H >< S+ 0 0 68 -4,-3.0 3,-1.5 1,-0.3 -2,-0.2 0.866 105.1 60.8 -55.7 -36.9 11.3 21.6 21.7 204 204 A A T 3< S+ 0 0 67 -4,-2.1 -1,-0.3 1,-0.3 4,-0.3 0.633 97.0 60.5 -67.3 -14.2 9.4 24.9 21.7 205 205 A K T X> S+ 0 0 44 -3,-1.9 4,-2.2 -4,-0.4 3,-0.8 0.611 77.6 91.9 -88.8 -12.3 12.0 26.3 19.3 206 206 A I H <> S+ 0 0 41 -3,-1.5 4,-2.0 -4,-0.5 5,-0.2 0.919 85.3 49.1 -47.3 -54.7 11.3 23.7 16.6 207 207 A P H 3> S+ 0 0 84 0, 0.0 4,-1.8 0, 0.0 -1,-0.3 0.828 109.8 53.7 -58.1 -29.3 8.7 26.0 14.9 208 208 A T H <> S+ 0 0 69 -3,-0.8 4,-2.1 -4,-0.3 -2,-0.2 0.920 105.3 52.1 -70.4 -43.1 11.2 28.8 14.9 209 209 A I H X S+ 0 0 0 -4,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.913 111.6 48.3 -58.1 -42.7 13.8 26.7 13.2 210 210 A T H X S+ 0 0 36 -4,-2.0 4,-2.2 -5,-0.2 -1,-0.2 0.851 107.4 54.6 -66.7 -37.2 11.3 25.9 10.5 211 211 A A H X S+ 0 0 45 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.880 106.9 51.1 -66.0 -39.0 10.2 29.5 10.0 212 212 A V H X S+ 0 0 7 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.942 112.4 46.5 -63.4 -45.0 13.8 30.6 9.4 213 213 A C H X S+ 0 0 16 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.846 110.5 50.9 -67.7 -35.0 14.3 27.9 6.8 214 214 A N H X S+ 0 0 91 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.907 107.9 54.1 -68.8 -37.5 11.0 28.6 5.0 215 215 A L H X S+ 0 0 18 -4,-2.1 4,-2.8 1,-0.2 5,-0.2 0.893 106.1 53.4 -61.2 -37.4 12.0 32.3 4.9 216 216 A H H X S+ 0 0 11 -4,-1.7 4,-2.3 1,-0.2 -1,-0.2 0.954 108.1 49.2 -60.3 -50.3 15.2 31.1 3.2 217 217 A G H X S+ 0 0 20 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.896 112.0 49.7 -56.4 -41.4 13.2 29.2 0.6 218 218 A E H X S+ 0 0 117 -4,-2.5 4,-1.8 2,-0.2 -2,-0.2 0.942 109.8 48.2 -63.7 -50.1 11.1 32.3 0.1 219 219 A K H X S+ 0 0 50 -4,-2.8 4,-1.9 1,-0.2 -1,-0.2 0.871 112.6 51.7 -58.5 -36.3 14.1 34.7 -0.4 220 220 A L H X S+ 0 0 0 -4,-2.3 4,-2.5 -5,-0.2 -1,-0.2 0.918 103.5 56.4 -67.3 -44.4 15.6 32.1 -2.8 221 221 A Q H X S+ 0 0 88 -4,-2.3 4,-1.1 1,-0.2 -1,-0.2 0.891 109.6 46.2 -55.5 -41.8 12.4 31.9 -4.9 222 222 A V H X S+ 0 0 71 -4,-1.8 4,-2.0 2,-0.2 3,-0.4 0.903 109.6 53.8 -68.4 -40.7 12.5 35.7 -5.5 223 223 A F H X S+ 0 0 0 -4,-1.9 4,-3.4 1,-0.3 -2,-0.2 0.896 104.2 56.6 -59.6 -38.8 16.2 35.5 -6.3 224 224 A K H < S+ 0 0 72 -4,-2.5 -1,-0.3 2,-0.2 -2,-0.2 0.849 105.2 52.8 -61.3 -33.8 15.4 32.9 -8.9 225 225 A Q H < S+ 0 0 153 -4,-1.1 -2,-0.2 -3,-0.4 -1,-0.2 0.974 115.9 37.5 -64.1 -55.6 13.0 35.4 -10.4 226 226 A S H < S+ 0 0 74 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.862 134.7 21.3 -65.4 -40.9 15.7 38.1 -10.7 227 227 A H X + 0 0 40 -4,-3.4 4,-1.3 -5,-0.2 -1,-0.2 -0.514 66.6 157.3-132.6 69.2 18.6 35.8 -11.6 228 228 A P H > S+ 0 0 65 0, 0.0 4,-2.2 0, 0.0 3,-0.3 0.906 76.0 53.1 -56.8 -47.1 17.3 32.5 -13.0 229 229 A D H > S+ 0 0 101 1,-0.2 4,-2.4 2,-0.2 5,-0.5 0.909 103.7 55.2 -57.8 -47.1 20.5 31.7 -14.9 230 230 A I H >>S+ 0 0 31 1,-0.2 4,-1.8 2,-0.2 5,-1.6 0.864 111.2 47.5 -55.1 -37.4 22.8 32.1 -11.8 231 231 A V H <5S+ 0 0 1 -4,-1.3 4,-0.2 -3,-0.3 -2,-0.2 0.933 116.7 39.0 -70.7 -49.3 20.6 29.6 -10.0 232 232 A N H <5S+ 0 0 70 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.695 131.2 26.8 -77.2 -19.1 20.4 26.9 -12.7 233 233 A T H <5S+ 0 0 80 -4,-2.4 -3,-0.2 -5,-0.2 -2,-0.2 0.616 129.1 30.4-119.2 -18.0 24.0 27.2 -13.8 234 234 A L T <5S+ 0 0 81 -4,-1.8 -3,-0.2 -5,-0.5 -4,-0.1 0.796 93.5 85.4-111.4 -40.2 26.1 28.5 -10.9 235 235 A F S > - 0 0 23 0, 0.0 4,-2.0 0, 0.0 3,-0.8 -0.339 36.7-124.1 -59.7 133.9 25.6 23.8 -6.4 237 237 A P H 3> S+ 0 0 92 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.878 111.2 51.8 -46.9 -45.1 23.5 21.1 -8.0 238 238 A L H 3> S+ 0 0 7 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.860 106.9 53.8 -62.3 -35.7 22.4 19.7 -4.7 239 239 A Y H <> S+ 0 0 0 -3,-0.8 4,-2.0 2,-0.2 -1,-0.2 0.909 110.0 46.9 -65.5 -41.9 21.3 23.2 -3.5 240 240 A K H X S+ 0 0 75 -4,-2.0 4,-1.0 1,-0.2 -2,-0.2 0.940 112.2 51.3 -64.1 -45.2 19.1 23.5 -6.6 241 241 A E H < S+ 0 0 36 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.856 113.8 42.7 -60.4 -39.5 17.7 20.1 -6.1 242 242 A L H < S+ 0 0 9 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.831 125.2 30.5 -79.3 -33.9 16.7 20.7 -2.4 243 243 A F H < 0 0 31 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.178 360.0 360.0-114.2 17.8 15.3 24.2 -2.7 244 244 A N < 0 0 69 -4,-1.0 -3,-0.2 -3,-0.2 -2,-0.1 0.488 360.0 360.0-138.5 360.0 13.8 24.2 -6.2 245 !* 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 0.0 246 691 B H > 0 0 102 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 73.7 16.2 13.6 -6.2 247 692 B K H > + 0 0 175 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.926 360.0 44.8 -56.3 -51.4 19.1 12.1 -8.1 248 693 B I H > S+ 0 0 50 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.955 114.1 45.6 -61.8 -54.7 21.9 13.9 -6.1 249 694 B L H > S+ 0 0 2 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.899 113.5 53.7 -56.5 -38.3 20.6 13.3 -2.6 250 695 B H H X S+ 0 0 62 -4,-2.1 4,-1.0 1,-0.2 -1,-0.2 0.905 108.4 48.6 -63.1 -42.7 19.9 9.7 -3.6 251 696 B R H >X S+ 0 0 160 -4,-2.2 4,-0.8 1,-0.2 3,-0.6 0.920 110.0 51.1 -65.0 -43.7 23.5 9.3 -4.7 252 697 B L H >< S+ 0 0 42 -4,-2.6 3,-0.7 1,-0.2 -2,-0.2 0.886 104.7 57.0 -61.9 -39.8 24.9 10.8 -1.5 253 698 B L H 3< S+ 0 0 6 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.799 114.7 38.6 -61.4 -29.3 22.8 8.5 0.7 254 699 B Q H << 0 0 126 -4,-1.0 -1,-0.2 -3,-0.6 -2,-0.2 0.464 360.0 360.0-102.4 -2.6 24.4 5.5 -1.1 255 700 B E << 0 0 146 -4,-0.8 -2,-0.2 -3,-0.7 -3,-0.1 0.974 360.0 360.0 -65.4 360.0 27.9 6.8 -1.4