==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STEROID BINDING PROTEIN 11-MAY-11 3RY9 . COMPND 2 MOLECULE: ANCESTRAL GLUCOCORTICOID RECEPTOR 1; . SOURCE 2 ORGANISM_SCIENTIFIC: ARTIFICIAL GENE; . AUTHOR E.A.ORTLUND . 490 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22780.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 363 74.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 18 3.7 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 . 2 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 . 16 3.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 284 58.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.6 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 0 2 0 2 0 0 0 2 0 0 2 0 2 0 0 1 0 0 1 2 0 0 1 1 0 2 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 P 0 0 152 0, 0.0 2,-0.1 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 141.7 6.9 56.9 32.6 2 0 A T > - 0 0 84 1,-0.1 4,-1.8 4,-0.0 3,-0.4 -0.380 360.0-114.2 -72.8 153.8 8.3 53.4 32.0 3 1 A M H > S+ 0 0 41 1,-0.2 4,-2.1 2,-0.2 3,-0.2 0.914 119.1 51.3 -50.6 -48.2 6.4 50.9 29.8 4 2 A I H > S+ 0 0 15 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.807 104.8 57.0 -64.3 -31.3 5.8 48.7 32.9 5 3 A S H > S+ 0 0 60 -3,-0.4 4,-2.1 2,-0.2 -1,-0.2 0.896 106.7 49.2 -62.1 -43.3 4.5 51.7 34.9 6 4 A I H X S+ 0 0 43 -4,-1.8 4,-2.5 -3,-0.2 -2,-0.2 0.928 109.0 52.1 -63.8 -45.4 1.8 52.2 32.2 7 5 A L H X S+ 0 0 2 -4,-2.1 4,-0.6 1,-0.2 -2,-0.2 0.915 112.0 46.5 -56.3 -45.4 0.9 48.5 32.4 8 6 A E H < S+ 0 0 90 -4,-2.2 3,-0.4 1,-0.2 -1,-0.2 0.869 113.8 49.4 -60.9 -39.8 0.5 48.7 36.2 9 7 A A H < S+ 0 0 84 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.840 113.0 44.0 -72.4 -36.4 -1.5 52.0 35.8 10 8 A I H < S+ 0 0 40 -4,-2.5 -1,-0.2 -5,-0.1 -2,-0.2 0.450 80.1 121.8 -92.2 -0.7 -4.0 50.7 33.2 11 9 A E < - 0 0 44 -4,-0.6 -3,-0.0 -3,-0.4 124,-0.0 -0.493 69.2-112.9 -65.8 124.0 -4.7 47.3 34.8 12 10 A P - 0 0 39 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.155 24.6-109.0 -61.1 149.6 -8.4 47.1 35.5 13 11 A D - 0 0 147 1,-0.1 2,-0.1 31,-0.0 31,-0.0 -0.281 53.8 -75.8 -64.0 161.7 -10.0 47.0 39.0 14 12 A V - 0 0 70 1,-0.1 2,-0.4 -2,-0.0 -1,-0.1 -0.364 49.5-141.1 -65.7 137.9 -11.5 43.8 40.1 15 13 A I - 0 0 39 79,-0.2 2,-0.3 -3,-0.1 26,-0.1 -0.862 6.3-140.8-105.3 137.5 -14.9 43.0 38.5 16 14 A Y - 0 0 128 -2,-0.4 24,-0.1 79,-0.2 79,-0.0 -0.658 7.5-144.1 -91.0 151.2 -17.8 41.4 40.4 17 15 A A - 0 0 0 -2,-0.3 -1,-0.1 2,-0.1 23,-0.1 0.795 35.6-125.5 -79.7 -30.2 -20.1 38.8 38.8 18 16 A G + 0 0 47 1,-0.2 2,-0.4 18,-0.0 80,-0.0 0.804 48.7 169.5 82.3 36.9 -23.2 40.2 40.6 19 17 A Y - 0 0 16 1,-0.0 2,-0.9 14,-0.0 -1,-0.2 -0.666 34.3-141.1 -90.0 132.5 -24.0 36.8 42.1 20 18 A D > - 0 0 71 -2,-0.4 3,-0.8 1,-0.1 -1,-0.0 -0.806 17.8-176.6 -91.2 102.7 -26.7 36.3 44.8 21 19 A S T 3 S+ 0 0 81 -2,-0.9 -1,-0.1 1,-0.2 4,-0.1 0.525 73.5 73.8 -80.5 -7.4 -25.2 33.6 47.1 22 20 A T T 3 S+ 0 0 120 2,-0.1 -1,-0.2 0, 0.0 -2,-0.0 0.780 90.3 71.1 -73.2 -26.5 -28.3 33.4 49.4 23 21 A L S < S- 0 0 89 -3,-0.8 0, 0.0 1,-0.1 0, 0.0 -0.686 99.7 -99.0 -88.4 141.9 -29.9 31.5 46.5 24 22 A P - 0 0 108 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.188 37.6-106.1 -62.8 150.6 -28.8 28.0 45.8 25 23 A D + 0 0 40 -4,-0.1 2,-0.3 4,-0.1 3,-0.1 -0.531 38.5 176.9 -70.2 138.3 -26.3 27.2 43.0 26 24 A T > - 0 0 63 -2,-0.2 4,-3.0 1,-0.1 5,-0.2 -0.958 42.6-111.9-132.0 160.0 -27.5 25.5 39.8 27 25 A T H > S+ 0 0 53 -2,-0.3 4,-2.7 1,-0.2 5,-0.3 0.931 119.7 47.2 -48.1 -52.9 -25.6 24.6 36.6 28 26 A N H > S+ 0 0 54 1,-0.2 4,-2.2 2,-0.2 187,-0.4 0.851 112.8 48.1 -59.7 -41.3 -27.6 27.3 34.7 29 27 A R H > S+ 0 0 63 2,-0.2 4,-2.4 3,-0.2 -1,-0.2 0.925 113.2 48.1 -65.7 -47.6 -27.1 29.9 37.3 30 28 A L H X S+ 0 0 0 -4,-3.0 4,-2.9 2,-0.2 -2,-0.2 0.936 115.7 42.2 -60.0 -50.8 -23.3 29.2 37.5 31 29 A L H X S+ 0 0 9 -4,-2.7 4,-2.7 -5,-0.2 -2,-0.2 0.937 115.9 48.8 -64.7 -44.5 -22.7 29.3 33.8 32 30 A S H X S+ 0 0 14 -4,-2.2 4,-2.6 -5,-0.3 -1,-0.2 0.871 113.5 48.0 -62.5 -38.1 -24.9 32.3 33.2 33 31 A S H X S+ 0 0 0 -4,-2.4 4,-2.9 2,-0.2 5,-0.2 0.933 109.4 52.0 -67.1 -47.1 -23.1 34.1 36.0 34 32 A L H X S+ 0 0 21 -4,-2.9 4,-2.9 1,-0.2 -2,-0.2 0.915 112.8 47.3 -52.4 -43.6 -19.8 33.1 34.6 35 33 A N H X S+ 0 0 23 -4,-2.7 4,-2.7 2,-0.2 -2,-0.2 0.908 109.5 50.6 -65.9 -46.3 -21.0 34.6 31.3 36 34 A R H X S+ 0 0 81 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.927 114.3 46.4 -55.7 -45.9 -22.3 37.8 32.8 37 35 A L H X S+ 0 0 4 -4,-2.9 4,-2.9 2,-0.2 5,-0.2 0.938 110.4 52.9 -59.7 -49.2 -18.9 38.1 34.5 38 36 A G H X S+ 0 0 9 -4,-2.9 4,-2.2 1,-0.2 -2,-0.2 0.883 108.9 50.3 -51.7 -44.1 -17.1 37.3 31.2 39 37 A G H X S+ 0 0 3 -4,-2.7 4,-1.7 2,-0.2 -1,-0.2 0.900 111.3 47.4 -63.3 -44.0 -19.1 40.1 29.5 40 38 A R H X S+ 0 0 105 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.901 112.1 49.9 -63.5 -43.9 -18.2 42.6 32.2 41 39 A Q H X S+ 0 0 24 -4,-2.9 4,-2.5 1,-0.2 -2,-0.2 0.882 108.6 53.2 -63.0 -38.7 -14.5 41.7 32.1 42 40 A M H X S+ 0 0 3 -4,-2.2 4,-2.2 -5,-0.2 -1,-0.2 0.861 104.5 54.2 -67.9 -34.2 -14.5 42.0 28.3 43 41 A I H X S+ 0 0 91 -4,-1.7 4,-1.6 1,-0.2 -1,-0.2 0.948 113.4 44.0 -59.3 -46.5 -15.9 45.5 28.5 44 42 A S H X S+ 0 0 23 -4,-1.8 4,-2.7 1,-0.2 -2,-0.2 0.858 109.3 56.6 -64.5 -38.9 -13.0 46.3 30.8 45 43 A A H X S+ 0 0 13 -4,-2.5 4,-3.3 2,-0.2 5,-0.2 0.885 103.9 53.5 -62.1 -40.4 -10.6 44.4 28.5 46 44 A V H X S+ 0 0 28 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.936 111.7 45.4 -55.9 -49.4 -11.6 46.7 25.6 47 45 A K H X S+ 0 0 145 -4,-1.6 4,-0.8 2,-0.2 -2,-0.2 0.915 115.0 47.8 -60.8 -47.2 -10.8 49.7 27.7 48 46 A W H >< S+ 0 0 11 -4,-2.7 3,-1.4 1,-0.2 4,-0.3 0.965 112.4 48.2 -57.9 -55.3 -7.5 48.2 28.9 49 47 A A H >< S+ 0 0 1 -4,-3.3 3,-1.9 1,-0.3 -2,-0.2 0.884 105.2 58.3 -56.2 -44.9 -6.4 47.2 25.4 50 48 A K H 3< S+ 0 0 89 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.712 105.9 51.4 -59.9 -21.2 -7.2 50.6 23.9 51 49 A A T << S+ 0 0 41 -3,-1.4 -1,-0.3 -4,-0.8 -2,-0.2 0.436 82.8 117.9 -95.1 -1.1 -4.8 52.2 26.4 52 50 A L S <> S- 0 0 0 -3,-1.9 4,-2.2 -4,-0.3 5,-0.2 -0.504 71.4-111.7 -72.3 129.5 -1.8 49.9 25.6 53 51 A P T 4 S+ 0 0 10 0, 0.0 2,-2.4 0, 0.0 -1,-0.1 -0.285 97.2 1.9 -57.4 141.6 1.3 51.6 24.2 54 52 A G T >4 S+ 0 0 22 1,-0.2 3,-2.3 109,-0.0 4,-0.5 -0.395 123.3 71.0 77.8 -63.4 2.1 50.7 20.6 55 53 A F G >4 S+ 0 0 2 -2,-2.4 3,-1.2 1,-0.3 -1,-0.2 0.825 90.0 61.8 -49.9 -37.7 -1.1 48.5 20.4 56 54 A R G 3< S+ 0 0 124 -4,-2.2 -1,-0.3 1,-0.2 4,-0.1 0.602 97.4 59.7 -68.0 -12.1 -3.2 51.8 20.5 57 55 A N G < S+ 0 0 123 -3,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.570 82.4 100.5 -92.6 -13.0 -1.5 52.9 17.2 58 56 A L S < S- 0 0 6 -3,-1.2 5,-0.1 -4,-0.5 -4,-0.0 -0.363 93.8 -84.1 -66.1 152.2 -2.7 49.9 15.2 59 57 A H >> - 0 0 88 1,-0.1 4,-1.7 3,-0.1 3,-1.3 -0.338 43.0-116.3 -55.6 140.0 -5.7 50.4 12.9 60 58 A L H 3> S+ 0 0 93 1,-0.3 4,-2.2 2,-0.2 5,-0.2 0.803 114.1 59.2 -53.6 -36.4 -8.8 50.0 15.0 61 59 A D H 3> S+ 0 0 90 1,-0.2 4,-1.5 2,-0.2 -1,-0.3 0.852 107.0 48.0 -61.0 -36.7 -10.0 47.0 13.0 62 60 A D H <> S+ 0 0 5 -3,-1.3 4,-2.2 2,-0.2 -2,-0.2 0.875 109.1 54.3 -68.8 -40.8 -6.7 45.2 14.0 63 61 A Q H X S+ 0 0 14 -4,-1.7 4,-1.8 1,-0.2 -2,-0.2 0.914 112.4 41.9 -57.7 -46.4 -7.2 46.2 17.6 64 62 A M H X S+ 0 0 64 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.797 112.2 55.3 -77.2 -28.6 -10.7 44.6 17.8 65 63 A T H X S+ 0 0 33 -4,-1.5 4,-2.5 -5,-0.2 -2,-0.2 0.925 109.9 45.3 -65.6 -48.7 -9.7 41.5 15.8 66 64 A L H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.912 114.6 47.9 -63.4 -44.9 -6.8 40.7 18.2 67 65 A L H X S+ 0 0 5 -4,-1.8 4,-0.7 -5,-0.2 -1,-0.2 0.912 112.7 50.1 -61.5 -43.3 -9.0 41.3 21.3 68 66 A Q H < S+ 0 0 27 -4,-2.0 3,-0.4 1,-0.2 4,-0.3 0.887 114.1 43.9 -65.0 -40.4 -11.7 39.2 19.7 69 67 A Y H < S+ 0 0 15 -4,-2.5 3,-0.3 1,-0.2 4,-0.2 0.865 119.4 41.7 -70.7 -35.6 -9.3 36.3 18.9 70 68 A S H X S+ 0 0 0 -4,-2.4 4,-2.5 72,-0.2 5,-0.2 0.358 80.8 108.1 -97.0 6.1 -7.6 36.4 22.3 71 69 A W H X S+ 0 0 7 -4,-0.7 4,-1.9 -3,-0.4 5,-0.2 0.893 82.1 42.5 -52.6 -52.8 -10.6 36.9 24.6 72 70 A M H > S+ 0 0 29 -3,-0.3 4,-2.1 -4,-0.3 -1,-0.2 0.860 114.0 52.4 -65.9 -37.7 -10.7 33.5 26.2 73 71 A S H > S+ 0 0 6 -4,-0.2 4,-2.4 2,-0.2 5,-0.2 0.953 109.3 49.0 -61.4 -51.2 -7.0 33.3 26.6 74 72 A L H X S+ 0 0 8 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.895 113.9 45.3 -56.1 -44.8 -6.8 36.7 28.4 75 73 A M H X S+ 0 0 25 -4,-1.9 4,-2.1 -5,-0.2 -1,-0.2 0.863 112.6 49.2 -75.5 -34.0 -9.6 35.8 30.8 76 74 A A H X S+ 0 0 3 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.915 113.2 48.0 -66.8 -42.4 -8.3 32.3 31.7 77 75 A F H X S+ 0 0 0 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.907 112.8 47.5 -63.1 -47.1 -4.8 33.7 32.3 78 76 A S H X S+ 0 0 17 -4,-2.3 4,-2.6 -5,-0.2 -1,-0.2 0.873 110.2 53.6 -60.9 -41.2 -6.2 36.5 34.6 79 77 A L H X S+ 0 0 4 -4,-2.1 4,-2.5 2,-0.2 14,-0.4 0.942 107.2 51.8 -56.0 -49.0 -8.3 33.9 36.4 80 78 A G H X S+ 0 0 1 -4,-2.4 4,-1.4 1,-0.2 -2,-0.2 0.894 111.7 46.8 -54.3 -43.4 -5.2 31.9 37.0 81 79 A W H X S+ 0 0 15 -4,-1.9 4,-2.8 2,-0.2 -1,-0.2 0.911 111.8 48.9 -67.1 -46.5 -3.5 35.0 38.5 82 80 A R H X S+ 0 0 33 -4,-2.6 4,-2.4 1,-0.2 5,-0.2 0.883 111.0 51.3 -60.1 -40.0 -6.4 36.0 40.7 83 81 A S H X S+ 0 0 4 -4,-2.5 4,-0.7 -5,-0.2 -1,-0.2 0.809 112.6 46.7 -69.0 -30.4 -6.6 32.4 42.0 84 82 A Y H < S+ 0 0 46 -4,-1.4 -2,-0.2 -5,-0.2 -1,-0.2 0.940 118.1 40.8 -72.3 -50.3 -2.9 32.4 42.8 85 83 A Q H < S+ 0 0 101 -4,-2.8 -2,-0.2 1,-0.2 -3,-0.2 0.790 127.4 26.0 -69.2 -36.4 -3.0 35.9 44.5 86 84 A H H < S+ 0 0 109 -4,-2.4 2,-0.3 -5,-0.2 -1,-0.2 0.372 118.8 38.7-116.0 2.7 -6.2 35.6 46.5 87 85 A T < - 0 0 22 -4,-0.7 2,-0.3 -5,-0.2 6,-0.0 -0.922 59.1-143.1-149.8 161.3 -6.8 32.0 47.2 88 86 A N + 0 0 137 -2,-0.3 2,-0.1 4,-0.0 -4,-0.1 -0.988 58.4 3.7-135.8 152.2 -5.1 28.7 48.0 89 87 A G S S- 0 0 51 -2,-0.3 2,-2.7 1,-0.1 -2,-0.0 -0.299 118.4 -10.9 79.3-164.3 -5.6 25.0 47.0 90 88 A N S S+ 0 0 47 -2,-0.1 2,-0.4 2,-0.0 12,-0.2 -0.384 100.4 121.2 -67.3 68.6 -8.2 23.7 44.4 91 89 A M - 0 0 67 -2,-2.7 2,-0.5 10,-0.1 10,-0.2 -0.997 50.1-150.7-139.6 136.6 -10.1 27.0 44.2 92 90 A L E -A 100 0A 0 8,-2.3 8,-3.0 -2,-0.4 2,-1.2 -0.917 6.7-153.3-107.0 124.2 -10.8 29.4 41.3 93 91 A Y E +A 99 0A 36 -2,-0.5 6,-0.2 -14,-0.4 -11,-0.1 -0.675 29.3 158.6 -96.6 78.3 -11.3 33.1 42.0 94 92 A F E S- 0 0 20 -2,-1.2 -1,-0.2 4,-0.9 5,-0.2 0.932 74.1 -23.6 -63.6 -46.1 -13.6 34.1 39.2 95 93 A A E > -A 98 0A 0 3,-1.6 3,-1.6 -3,-0.2 -1,-0.3 -0.955 69.6 -97.5-157.1 164.1 -14.7 37.2 41.1 96 94 A P T 3 S+ 0 0 37 0, 0.0 3,-0.2 0, 0.0 -80,-0.1 0.838 129.2 39.3 -58.7 -29.4 -14.9 38.3 44.8 97 95 A D T 3 S+ 0 0 36 1,-0.2 2,-0.2 -4,-0.0 -81,-0.1 0.292 117.1 54.0 -99.9 8.6 -18.6 37.3 44.8 98 96 A L E < +A 95 0A 0 -3,-1.6 -3,-1.6 2,-0.0 -4,-0.9 -0.653 63.9 158.0-146.4 81.9 -18.0 34.1 42.7 99 97 A I E -A 93 0A 54 -2,-0.2 2,-0.4 -6,-0.2 -6,-0.2 -0.934 27.9-144.5-112.6 127.4 -15.3 31.8 44.0 100 98 A F E +A 92 0A 0 -8,-3.0 -8,-2.3 -2,-0.5 2,-0.2 -0.799 18.6 176.7 -99.3 130.8 -15.4 28.1 42.9 101 99 A N > - 0 0 52 -2,-0.4 4,-2.1 -10,-0.2 5,-0.2 -0.425 56.0 -74.9-105.8-170.2 -14.4 25.2 45.1 102 100 A E H > S+ 0 0 79 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.878 131.0 51.0 -55.2 -43.7 -14.6 21.4 44.2 103 101 A E H > S+ 0 0 143 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.916 112.0 44.9 -59.5 -50.4 -18.4 21.3 44.5 104 102 A R H > S+ 0 0 33 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.797 110.8 54.3 -68.4 -32.2 -19.0 24.3 42.3 105 103 A M H <>S+ 0 0 0 -4,-2.1 5,-0.7 2,-0.2 4,-0.4 0.892 111.8 45.9 -66.3 -41.6 -16.5 23.0 39.7 106 104 A Q H ><5S+ 0 0 99 -4,-2.0 3,-1.2 -5,-0.2 5,-0.3 0.934 114.0 46.6 -64.6 -46.8 -18.5 19.7 39.7 107 105 A Q H 3<5S+ 0 0 83 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.727 98.2 70.1 -74.1 -21.6 -21.9 21.4 39.4 108 106 A S T 3<5S- 0 0 0 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.731 99.8-135.1 -60.5 -23.3 -20.8 23.8 36.7 109 107 A S T < 5S+ 0 0 59 -3,-1.2 -3,-0.1 -4,-0.4 -2,-0.1 0.616 89.8 86.5 66.9 17.4 -20.6 20.7 34.4 110 108 A M >< + 0 0 19 -5,-0.7 4,-1.8 1,-0.1 5,-0.1 -0.312 47.6 141.5-131.2 49.0 -17.2 21.9 33.1 111 109 A Y H > + 0 0 50 -5,-0.3 4,-2.2 1,-0.2 5,-0.2 0.901 68.5 50.2 -58.3 -49.8 -15.2 20.2 35.8 112 110 A E H > S+ 0 0 147 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.878 111.6 49.7 -61.7 -38.5 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E > -B 236 0B 11 0, 0.0 3,-1.9 0, 0.0 89,-0.2 -0.499 33.4-128.3 -68.2 139.8 -6.1 35.6 11.6 148 146 A K T 3 S+ 0 0 133 87,-2.9 88,-0.1 1,-0.3 3,-0.1 0.751 108.8 54.5 -59.6 -28.4 -4.5 33.2 9.2 149 147 A D T 3 S- 0 0 146 86,-0.3 -1,-0.3 1,-0.2 86,-0.0 0.383 115.5-115.1 -91.2 2.0 -5.0 35.7 6.3 150 148 A G < - 0 0 27 -3,-1.9 -1,-0.2 3,-0.0 2,-0.2 -0.025 25.5 -77.5 94.8 169.3 -3.1 38.4 8.3 151 149 A L > - 0 0 22 1,-0.1 3,-0.6 -3,-0.1 -89,-0.0 -0.485 34.3-112.2-100.0 170.8 -3.8 41.8 9.8 152 150 A K T 3 S+ 0 0 133 1,-0.2 2,-0.7 -2,-0.2 3,-0.2 0.959 117.2 33.1 -63.2 -53.1 -4.1 45.3 8.3 153 151 A S T 3> S+ 0 0 39 1,-0.2 4,-2.5 -94,-0.1 -1,-0.2 -0.606 73.8 156.8-107.3 69.0 -0.9 46.5 9.9 154 152 A Q H <> S+ 0 0 62 -2,-0.7 4,-2.5 -3,-0.6 -1,-0.2 0.930 73.4 46.8 -59.5 -52.7 1.2 43.3 9.9 155 153 A A H > S+ 0 0 80 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.871 114.1 49.0 -59.5 -41.1 4.7 45.0 10.1 156 154 A A H > S+ 0 0 38 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.903 109.7 52.4 -64.1 -44.4 3.5 47.3 12.9 157 155 A F H X S+ 0 0 0 -4,-2.5 4,-3.3 2,-0.2 5,-0.2 0.930 107.2 51.8 -55.0 -50.2 2.1 44.3 14.8 158 156 A D H X S+ 0 0 40 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.869 111.2 48.4 -55.1 -41.0 5.4 42.4 14.5 159 157 A E H X S+ 0 0 149 -4,-1.5 4,-2.2 2,-0.2 -1,-0.2 0.913 113.0 46.5 -66.2 -46.5 7.2 45.5 15.9 160 158 A I H X S+ 0 0 16 -4,-2.5 4,-1.8 2,-0.2 -2,-0.2 0.920 112.7 50.1 -61.7 -45.3 4.7 45.9 18.8 161 159 A R H X S+ 0 0 13 -4,-3.3 4,-1.9 1,-0.2 -2,-0.2 0.937 110.4 49.9 -61.7 -46.9 4.8 42.2 19.6 162 160 A M H X S+ 0 0 41 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.897 107.0 55.2 -56.4 -43.9 8.7 42.2 19.7 163 161 A S H X S+ 0 0 41 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.880 109.1 46.9 -59.7 -39.4 8.7 45.3 22.0 164 162 A Y H X S+ 0 0 0 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.806 108.5 54.7 -75.1 -29.7 6.5 43.4 24.5 165 163 A I H X S+ 0 0 7 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.930 110.1 47.5 -60.4 -45.8 8.7 40.4 24.3 166 164 A K H X S+ 0 0 143 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.909 109.2 54.4 -61.4 -40.4 11.6 42.8 25.1 167 165 A E H X S+ 0 0 18 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.888 106.0 51.1 -59.5 -42.1 9.4 44.1 28.0 168 166 A L H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.910 107.8 54.1 -59.4 -42.8 9.0 40.6 29.3 169 167 A G H X S+ 0 0 23 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.881 107.4 50.1 -59.1 -41.1 12.8 40.2 29.2 170 168 A K H X S+ 0 0 124 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.879 108.8 51.9 -63.3 -41.1 13.2 43.4 31.3 171 169 A A H < S+ 0 0 4 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.894 111.3 48.3 -64.1 -40.0 10.7 42.1 33.8 172 170 A I H < S+ 0 0 12 -4,-2.3 -2,-0.2 1,-0.1 -1,-0.2 0.940 111.2 48.8 -60.8 -50.3 12.8 38.9 34.0 173 171 A V H < S+ 0 0 100 -4,-2.5 -2,-0.2 -5,-0.1 2,-0.2 0.948 93.8 81.3 -59.5 -53.7 16.1 40.7 34.4 174 172 A K < 0 0 115 -4,-2.6 0, 0.0 -5,-0.1 0, 0.0 -0.413 360.0 360.0 -48.9 118.1 14.7 42.9 37.2 175 173 A R 0 0 179 -2,-0.2 0, 0.0 0, 0.0 0, 0.0 0.113 360.0 360.0 125.4 360.0 15.1 40.4 40.1 176 ! 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 0.0 177 180 A N > 0 0 113 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -83.1 17.5 34.4 32.7 178 181 A W H > + 0 0 69 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.863 360.0 56.4 -68.7 -34.4 17.2 32.6 29.3 179 182 A Q H > S+ 0 0 64 2,-0.2 4,-2.2 278,-0.2 -1,-0.2 0.895 106.9 47.7 -60.0 -42.9 16.0 29.7 31.3 180 183 A R H > S+ 0 0 29 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.920 110.5 51.6 -66.8 -43.8 13.2 31.8 32.8 181 184 A F H X S+ 0 0 7 -4,-2.1 4,-2.3 2,-0.2 5,-0.3 0.921 109.7 50.4 -53.6 -48.6 12.3 33.2 29.3 182 185 A Y H X S+ 0 0 22 -4,-2.5 4,-1.7 1,-0.2 -2,-0.2 0.921 114.2 45.1 -56.3 -46.0 12.1 29.6 28.1 183 186 A Q H X S+ 0 0 43 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.896 113.0 47.8 -68.5 -42.8 9.8 28.6 31.0 184 187 A L H X S+ 0 0 0 -4,-3.0 4,-1.9 2,-0.2 -1,-0.2 0.881 113.0 48.4 -69.7 -36.4 7.5 31.6 30.8 185 188 A T H X S+ 0 0 0 -4,-2.3 4,-2.4 -5,-0.2 56,-0.3 0.822 107.3 56.6 -73.1 -32.1 7.0 31.3 27.0 186 189 A K H X S+ 0 0 130 -4,-1.7 4,-1.8 -5,-0.3 -2,-0.2 0.916 106.6 50.3 -57.8 -44.7 6.3 27.6 27.5 187 190 A L H X S+ 0 0 5 -4,-1.8 4,-0.6 1,-0.2 -2,-0.2 0.908 109.2 51.2 -62.0 -42.3 3.5 28.6 29.9 188 191 A L H >< S+ 0 0 2 -4,-1.9 3,-1.2 1,-0.2 4,-0.4 0.932 108.8 50.8 -57.5 -47.9 2.2 31.0 27.3 189 192 A D H >< S+ 0 0 22 -4,-2.4 3,-1.4 1,-0.2 4,-0.5 0.833 100.1 64.2 -58.8 -36.9 2.2 28.3 24.6 190 193 A S H 3X S+ 0 0 65 -4,-1.8 4,-1.3 1,-0.3 -1,-0.2 0.696 87.5 73.0 -63.1 -19.8 0.2 25.9 26.9 191 194 A M H S+ 0 0 38 -3,-1.4 4,-2.0 -4,-0.4 -1,-0.2 0.904 102.7 43.5 -62.0 -46.4 -3.6 27.4 23.3 193 196 A D H > S+ 0 0 145 -4,-0.5 4,-1.6 -3,-0.2 -1,-0.2 0.914 117.2 47.6 -64.9 -43.5 -4.6 23.7 24.0 194 197 A L H X S+ 0 0 29 -4,-1.3 4,-2.2 2,-0.2 3,-0.4 0.955 110.9 50.4 -60.3 -52.3 -6.5 24.8 27.2 195 198 A V H X S+ 0 0 20 -4,-3.4 4,-2.8 1,-0.2 5,-0.2 0.860 104.5 59.4 -57.2 -37.9 -8.3 27.6 25.3 196 199 A G H X S+ 0 0 39 -4,-2.0 4,-2.0 -5,-0.2 -1,-0.2 0.923 107.8 45.8 -53.1 -46.1 -9.3 25.1 22.6 197 200 A G H X S+ 0 0 24 -4,-1.6 4,-1.6 -3,-0.4 -2,-0.2 0.891 111.8 50.8 -64.5 -41.9 -11.1 23.1 25.3 198 201 A L H X S+ 0 0 9 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.911 110.8 49.3 -63.0 -43.1 -12.8 26.2 26.7 199 202 A L H X S+ 0 0 17 -4,-2.8 4,-2.7 2,-0.2 5,-0.2 0.861 105.0 57.4 -66.4 -39.2 -14.0 27.2 23.3 200 203 A Q H X S+ 0 0 156 -4,-2.0 4,-1.8 -5,-0.2 -1,-0.2 0.935 113.8 39.7 -53.1 -48.5 -15.4 23.8 22.5 201 204 A F H X S+ 0 0 37 -4,-1.6 4,-2.7 2,-0.2 5,-0.2 0.894 113.1 54.8 -71.4 -41.2 -17.6 24.0 25.6 202 205 A C H X S+ 0 0 11 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.933 110.0 46.0 -57.1 -48.8 -18.4 27.7 25.1 203 206 A F H X S+ 0 0 17 -4,-2.7 4,-1.9 2,-0.2 5,-0.2 0.889 111.9 52.6 -64.2 -40.9 -19.7 27.1 21.6 204 207 A Y H X S+ 0 0 111 -4,-1.8 4,-2.9 -5,-0.2 -2,-0.2 0.940 111.9 44.0 -58.6 -50.6 -21.7 24.0 22.8 205 208 A T H < S+ 0 0 6 -4,-2.7 9,-0.3 1,-0.2 -1,-0.2 0.833 111.5 55.5 -65.8 -32.2 -23.5 26.0 25.6 206 209 A F H < S+ 0 0 48 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.874 117.0 34.9 -64.6 -39.8 -24.1 28.9 23.2 207 210 A V H < S+ 0 0 109 -4,-1.9 3,-0.4 1,-0.2 -2,-0.2 0.849 123.7 42.3 -85.3 -38.2 -25.9 26.6 20.7 208 211 A E S X S+ 0 0 62 -4,-2.9 4,-2.6 -5,-0.2 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54.9 -57.3 -46.8 32.2 20.6 16.9 283 36 B G H X S+ 0 0 10 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.882 107.2 51.0 -57.0 -41.0 29.4 23.0 16.0 284 37 B G H X S+ 0 0 3 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.911 110.9 47.2 -61.6 -46.4 31.5 25.9 17.2 285 38 B R H X S+ 0 0 109 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.898 113.1 49.6 -61.7 -41.7 34.5 24.8 15.2 286 39 B Q H X S+ 0 0 24 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.885 108.9 52.3 -66.4 -37.5 32.3 24.3 12.1 287 40 B M H X S+ 0 0 2 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.880 104.3 55.3 -69.5 -35.0 30.8 27.8 12.5 288 41 B I H X S+ 0 0 87 -4,-1.9 4,-1.7 1,-0.2 -1,-0.2 0.949 113.4 43.0 -58.9 -47.6 34.2 29.5 12.7 289 42 B S H X S+ 0 0 34 -4,-1.7 4,-3.0 1,-0.2 -2,-0.2 0.835 109.6 57.1 -63.4 -38.4 34.9 27.8 9.3 290 43 B A H X S+ 0 0 13 -4,-2.4 4,-3.0 2,-0.2 -1,-0.2 0.871 105.9 49.9 -61.7 -39.8 31.5 28.7 7.9 291 44 B V H X S+ 0 0 37 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.945 113.4 46.0 -63.6 -48.9 32.0 32.4 8.6 292 45 B K H X S+ 0 0 144 -4,-1.7 4,-1.0 1,-0.2 -2,-0.2 0.934 114.6 48.7 -57.0 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42.9 -1.6 303 56 B L S < S- 0 0 5 -3,-1.6 5,-0.1 -4,-0.4 96,-0.1 -0.410 98.7 -91.4 -72.8 146.0 25.8 42.5 1.3 304 57 B H > - 0 0 81 1,-0.1 4,-2.1 -2,-0.1 3,-0.4 -0.261 40.5-117.3 -45.8 137.3 25.6 45.0 4.1 305 58 B L H > S+ 0 0 99 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.869 115.9 50.8 -54.5 -40.6 27.9 43.8 6.9 306 59 B D H > S+ 0 0 77 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.851 108.2 52.9 -67.1 -32.2 25.0 43.3 9.3 307 60 B D H > S+ 0 0 3 -3,-0.4 4,-2.6 2,-0.2 -2,-0.2 0.862 105.1 56.2 -68.6 -36.4 23.1 41.3 6.7 308 61 B Q H X S+ 0 0 6 -4,-2.1 4,-1.7 2,-0.2 -2,-0.2 0.950 112.2 40.5 -56.9 -51.2 26.2 39.1 6.3 309 62 B M H X S+ 0 0 58 -4,-1.8 4,-2.8 1,-0.2 -2,-0.2 0.874 113.6 55.3 -68.0 -38.4 26.2 38.3 10.0 310 63 B T H X S+ 0 0 32 -4,-2.3 4,-2.3 2,-0.2 5,-0.2 0.935 107.5 48.6 -56.6 -49.4 22.4 37.9 10.1 311 64 B L H X S+ 0 0 0 -4,-2.6 4,-1.9 2,-0.2 -1,-0.2 0.893 113.9 46.2 -61.7 -42.0 22.4 35.3 7.3 312 65 B L H X S+ 0 0 5 -4,-1.7 4,-1.3 -5,-0.2 -1,-0.2 0.910 113.5 49.3 -64.8 -45.2 25.1 33.3 9.0 313 66 B Q H < S+ 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148 B G < - 0 0 33 -3,-1.9 -1,-0.2 3,-0.0 2,-0.2 0.051 25.8 -69.0 93.3 169.3 13.8 42.1 6.1 396 149 B L - 0 0 20 1,-0.1 3,-0.5 -3,-0.1 -5,-0.0 -0.527 29.5-126.1 -97.0 162.7 17.4 42.8 5.3 397 150 B K S S+ 0 0 139 1,-0.2 2,-0.4 -2,-0.2 -1,-0.1 0.821 109.7 38.4 -74.0 -33.3 19.3 46.1 5.2 398 151 B S > + 0 0 23 1,-0.2 4,-1.8 -94,-0.1 -1,-0.2 -0.578 69.9 157.1-118.8 66.7 20.6 45.4 1.6 399 152 B Q H > S+ 0 0 82 -3,-0.5 4,-2.9 -2,-0.4 5,-0.2 0.883 70.5 52.3 -62.0 -44.3 17.6 43.6 -0.1 400 153 B A H > S+ 0 0 78 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.899 111.7 46.4 -61.8 -41.2 18.6 44.4 -3.7 401 154 B A H > S+ 0 0 25 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.861 112.7 51.6 -68.9 -35.7 22.1 43.0 -3.3 402 155 B F H X S+ 0 0 2 -4,-1.8 4,-2.8 2,-0.2 5,-0.2 0.951 108.7 49.6 -63.2 -50.9 20.6 39.9 -1.5 403 156 B D H X S+ 0 0 84 -4,-2.9 4,-2.2 1,-0.2 -2,-0.2 0.884 112.5 49.3 -55.3 -42.0 18.1 39.3 -4.4 404 157 B E H X S+ 0 0 139 -4,-1.9 4,-2.1 -5,-0.2 -1,-0.2 0.930 112.8 44.5 -64.4 -49.9 21.0 39.5 -6.9 405 158 B I H X S+ 0 0 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