==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-OCT-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE/OXIDOREDUCTASE INHIBITOR 05-OCT-12 4HFR . COMPND 2 MOLECULE: CORTICOSTEROID 11-BETA-DEHYDROGENASE ISOZYME 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR D.J.OGG,S.GERHARDT,D HARGREAVES . 508 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21525.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 392 77.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 72 14.2 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 . 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 . 40 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 217 42.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 3.5 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 2 2 0 0 0 4 2 4 0 2 0 2 0 0 0 0 0 0 2 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 2 5 2 1 2 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 . 0 0 0 0 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 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 26 A E 0 0 222 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -11.9 -33.4 69.5 20.7 2 27 A F - 0 0 40 3,-0.0 216,-0.1 2,-0.0 217,-0.0 -0.678 360.0-174.2 -83.9 135.6 -30.2 71.6 20.4 3 28 A R > - 0 0 147 -2,-0.4 3,-2.2 215,-0.1 4,-0.2 -0.996 29.5-134.4-126.4 130.6 -30.5 75.4 19.9 4 29 A P G > S+ 0 0 62 0, 0.0 3,-1.3 0, 0.0 4,-0.3 0.713 104.0 70.8 -56.9 -19.7 -27.4 77.6 19.2 5 30 A E G > S+ 0 0 90 1,-0.3 3,-1.1 2,-0.2 -3,-0.0 0.740 78.8 76.7 -64.9 -28.9 -28.9 80.1 21.9 6 31 A M G < S+ 0 0 68 -3,-2.2 -1,-0.3 1,-0.3 26,-0.0 0.642 100.2 43.1 -56.7 -19.2 -28.0 77.5 24.6 7 32 A L G X S+ 0 0 4 -3,-1.3 3,-2.0 -4,-0.2 -1,-0.3 0.542 83.5 119.5-105.4 -12.7 -24.4 78.7 24.2 8 33 A Q T < S+ 0 0 132 -3,-1.1 26,-0.2 -4,-0.3 25,-0.2 -0.358 90.8 1.3 -60.6 124.2 -25.1 82.5 24.0 9 34 A G T 3 S+ 0 0 37 24,-2.6 -1,-0.3 1,-0.2 25,-0.2 0.408 98.3 145.4 76.2 2.6 -23.3 84.2 26.9 10 35 A K < - 0 0 86 -3,-2.0 25,-3.2 19,-0.1 2,-0.7 -0.410 51.1-126.3 -75.9 145.7 -21.8 80.9 28.2 11 36 A K E +a 35 0A 50 23,-0.2 78,-2.8 -2,-0.1 79,-1.9 -0.844 38.5 176.9 -94.9 109.0 -18.3 80.7 29.8 12 37 A V E -ab 36 90A 0 23,-2.9 25,-2.2 -2,-0.7 2,-0.4 -0.973 25.7-159.7-127.9 131.6 -16.2 78.1 27.9 13 38 A I E -ab 37 91A 0 77,-2.2 79,-2.5 -2,-0.4 2,-0.4 -0.846 13.0-172.2 -97.3 135.2 -12.6 76.8 28.1 14 39 A V E -ab 38 92A 0 23,-2.1 25,-1.4 -2,-0.4 3,-0.4 -0.987 6.4-160.6-129.1 115.5 -11.4 75.0 24.9 15 40 A T E S+a 39 0A 1 77,-2.4 25,-0.1 -2,-0.4 23,-0.0 -0.662 74.7 28.9 -93.8 156.1 -8.0 73.2 25.2 16 41 A G S S+ 0 0 19 23,-0.7 6,-0.5 -2,-0.2 7,-0.3 0.903 78.7 141.7 61.4 44.1 -6.0 72.3 22.1 17 42 A A + 0 0 0 22,-1.9 23,-0.2 -3,-0.4 -1,-0.1 0.244 40.5 86.1-103.2 11.8 -7.6 75.2 20.2 18 43 A S S S- 0 0 10 21,-0.3 2,-0.2 1,-0.1 -1,-0.2 0.781 106.8 -6.0 -80.2 -25.5 -4.6 76.5 18.1 19 44 A K S > S+ 0 0 86 -3,-0.3 4,-1.6 30,-0.0 3,-0.4 -0.826 105.2 21.0-152.0-176.2 -5.4 73.9 15.4 20 45 A G H > S- 0 0 9 -2,-0.2 4,-1.5 1,-0.2 3,-0.4 0.033 115.9 -15.4 52.2-148.1 -7.7 71.0 14.4 21 46 A I H > S+ 0 0 24 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.847 134.8 60.3 -53.9 -40.6 -11.1 70.1 16.0 22 47 A G H > S+ 0 0 0 -6,-0.5 4,-2.1 -3,-0.4 -5,-0.3 0.895 104.3 46.4 -54.4 -50.5 -10.2 72.5 18.9 23 48 A R H X S+ 0 0 51 -4,-1.6 4,-1.5 -3,-0.4 -1,-0.2 0.859 113.3 51.2 -60.9 -39.7 -9.9 75.6 16.7 24 49 A E H X S+ 0 0 26 -4,-1.5 4,-1.8 2,-0.2 -2,-0.2 0.884 108.5 50.2 -67.6 -40.6 -13.1 74.6 14.9 25 50 A M H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.915 108.8 53.0 -62.3 -43.7 -15.0 74.3 18.3 26 51 A A H X S+ 0 0 0 -4,-2.1 4,-1.2 1,-0.2 -1,-0.2 0.835 109.9 48.5 -61.4 -35.8 -13.7 77.7 19.4 27 52 A Y H X S+ 0 0 36 -4,-1.5 4,-2.1 2,-0.2 -1,-0.2 0.841 110.8 49.7 -73.0 -38.8 -15.1 79.2 16.1 28 53 A H H X S+ 0 0 24 -4,-1.8 4,-1.0 2,-0.2 -2,-0.2 0.909 110.8 49.5 -65.5 -45.2 -18.6 77.5 16.5 29 54 A L H <>S+ 0 0 0 -4,-2.3 5,-2.2 1,-0.2 4,-0.2 0.808 110.1 52.7 -63.6 -33.0 -18.8 78.8 20.1 30 55 A A H ><5S+ 0 0 0 -4,-1.2 3,-2.2 1,-0.2 -2,-0.2 0.954 105.1 52.5 -68.6 -48.1 -17.9 82.3 18.9 31 56 A K H 3<5S+ 0 0 122 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.708 109.1 53.0 -57.9 -25.8 -20.7 82.2 16.1 32 57 A M T 3<5S- 0 0 22 -4,-1.0 -1,-0.3 -5,-0.1 -2,-0.2 0.485 120.8-111.6 -88.6 -6.2 -23.1 81.3 19.0 33 58 A G T < 5 + 0 0 15 -3,-2.2 -24,-2.6 -4,-0.2 -3,-0.2 0.831 61.6 154.2 77.2 39.6 -21.9 84.4 21.1 34 59 A A < - 0 0 0 -5,-2.2 26,-0.9 -26,-0.2 25,-0.9 -0.522 51.2-111.4 -93.2 160.4 -20.1 82.6 24.0 35 60 A H E -ac 11 60A 57 -25,-3.2 -23,-2.9 24,-0.2 2,-0.4 -0.842 45.6-166.8 -87.0 118.4 -17.2 83.9 26.2 36 61 A V E -ac 12 61A 0 24,-2.6 26,-2.0 -2,-0.6 2,-0.5 -0.942 23.9-171.8-119.1 138.7 -14.2 81.7 25.1 37 62 A V E -ac 13 62A 0 -25,-2.2 -23,-2.1 -2,-0.4 2,-0.3 -0.998 20.0-169.7-121.2 120.5 -10.8 81.1 26.7 38 63 A V E -ac 14 63A 0 24,-2.8 26,-1.8 -2,-0.5 2,-0.3 -0.843 4.8-171.4-111.6 151.0 -8.5 79.1 24.4 39 64 A T E +ac 15 64A 3 -25,-1.4 -22,-1.9 -2,-0.3 -23,-0.7 -0.994 19.3 135.2-143.9 151.6 -5.1 77.5 25.0 40 65 A A E - c 0 65A 12 24,-0.6 26,-1.7 -2,-0.3 27,-0.1 -0.906 60.6 -97.6-167.2 171.8 -2.3 75.8 23.2 41 66 A R S S+ 0 0 133 24,-0.3 2,-0.8 -2,-0.3 26,-0.1 0.837 100.0 83.1 -64.4 -36.4 1.5 76.1 23.3 42 67 A S > - 0 0 43 1,-0.2 4,-1.8 24,-0.1 5,-0.1 -0.641 54.7-173.6 -86.2 111.4 1.7 78.4 20.3 43 68 A K H > S+ 0 0 113 -2,-0.8 4,-2.0 1,-0.2 -1,-0.2 0.902 82.9 49.2 -65.1 -44.8 1.1 82.1 21.1 44 69 A E H > S+ 0 0 143 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.913 112.8 44.5 -67.9 -43.1 1.0 83.4 17.6 45 70 A T H > S+ 0 0 46 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.913 113.4 54.2 -63.4 -40.0 -1.5 80.8 16.1 46 71 A L H X S+ 0 0 0 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.867 104.6 54.1 -57.1 -45.8 -3.6 81.3 19.3 47 72 A Q H X S+ 0 0 89 -4,-2.0 4,-2.4 2,-0.2 5,-0.2 0.949 107.9 49.4 -53.4 -53.7 -3.7 85.1 18.7 48 73 A K H X S+ 0 0 145 -4,-1.6 4,-1.9 1,-0.2 -1,-0.2 0.856 111.9 49.3 -54.9 -41.7 -5.0 84.6 15.1 49 74 A V H X S+ 0 0 1 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.925 110.1 50.6 -64.8 -47.5 -7.7 82.2 16.5 50 75 A V H X S+ 0 0 16 -4,-2.6 4,-1.8 2,-0.2 -2,-0.2 0.899 111.0 47.5 -59.8 -46.5 -8.8 84.8 19.2 51 76 A S H X S+ 0 0 71 -4,-2.4 4,-1.5 1,-0.2 -1,-0.2 0.918 111.5 50.6 -63.9 -41.8 -9.2 87.6 16.7 52 77 A H H X S+ 0 0 62 -4,-1.9 4,-1.1 1,-0.2 -1,-0.2 0.828 106.8 56.2 -64.8 -32.0 -11.2 85.4 14.3 53 78 A C H ><>S+ 0 0 0 -4,-1.9 5,-1.5 2,-0.2 3,-0.6 0.927 107.1 47.9 -62.8 -45.7 -13.5 84.4 17.2 54 79 A L H ><5S+ 0 0 91 -4,-1.8 3,-0.6 1,-0.2 -2,-0.2 0.801 108.1 56.2 -65.3 -29.7 -14.3 88.1 17.9 55 80 A E H 3<5S+ 0 0 151 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.754 104.7 52.9 -71.6 -28.9 -14.9 88.6 14.1 56 81 A L T <<5S- 0 0 50 -4,-1.1 -1,-0.2 -3,-0.6 -2,-0.2 0.486 129.7 -93.1 -85.7 -8.8 -17.6 85.7 14.4 57 82 A G T < 5 + 0 0 45 -3,-0.6 -3,-0.2 -4,-0.5 2,-0.2 0.740 59.7 171.8 101.2 32.3 -19.4 87.4 17.2 58 83 A A < - 0 0 13 -5,-1.5 -1,-0.2 -25,-0.1 -23,-0.2 -0.482 38.8-133.3 -70.9 139.2 -17.9 86.0 20.5 59 84 A A S S- 0 0 55 -25,-0.9 2,-0.3 1,-0.3 -24,-0.2 0.830 90.8 -18.2 -58.7 -32.8 -19.1 87.8 23.7 60 85 A S E -c 35 0A 21 -26,-0.9 -24,-2.6 2,-0.0 2,-0.3 -0.913 64.9-160.2-168.3 151.4 -15.3 87.7 24.6 61 86 A A E +c 36 0A 6 -2,-0.3 2,-0.3 -26,-0.2 -24,-0.2 -0.974 17.4 165.7-145.7 125.7 -12.2 85.7 23.3 62 87 A H E -c 37 0A 71 -26,-2.0 -24,-2.8 -2,-0.3 2,-0.3 -0.925 17.7-151.0-137.4 159.9 -8.9 85.2 25.2 63 88 A Y E -c 38 0A 65 -2,-0.3 2,-0.4 -26,-0.2 -24,-0.2 -0.968 7.8-171.6-133.9 148.1 -5.8 83.0 25.0 64 89 A I E -c 39 0A 31 -26,-1.8 -24,-0.6 -2,-0.3 2,-0.2 -0.948 22.3-144.9-138.9 111.3 -3.3 81.7 27.5 65 90 A A E +c 40 0A 39 -2,-0.4 -24,-0.3 -26,-0.2 2,-0.3 -0.584 39.3 113.0 -79.8 142.8 -0.3 79.9 25.9 66 91 A G - 0 0 18 -26,-1.7 2,-0.4 -2,-0.2 -24,-0.1 -0.899 58.3 -89.0 169.0 166.2 1.4 76.9 27.6 67 92 A T > - 0 0 44 -2,-0.3 3,-0.9 -26,-0.1 6,-0.2 -0.820 17.6-150.3 -98.4 135.0 2.3 73.2 27.8 68 93 A M T 3 S+ 0 0 11 -2,-0.4 53,-0.1 1,-0.2 -1,-0.1 0.192 92.0 79.9 -83.4 10.8 -0.0 70.7 29.5 69 94 A E T 3 S+ 0 0 91 1,-0.1 2,-0.8 51,-0.1 -1,-0.2 0.738 82.6 74.4 -79.7 -32.9 3.1 68.6 30.4 70 95 A D S <> S- 0 0 76 -3,-0.9 4,-1.6 1,-0.2 3,-0.4 -0.773 70.4-166.2 -84.1 105.6 3.4 71.2 33.2 71 96 A M H > S+ 0 0 22 -2,-0.8 4,-1.8 1,-0.2 -1,-0.2 0.762 87.6 56.6 -66.5 -26.5 0.7 70.3 35.8 72 97 A T H > S+ 0 0 84 2,-0.2 4,-3.0 1,-0.2 -1,-0.2 0.856 104.7 52.9 -73.8 -32.9 1.1 73.7 37.6 73 98 A F H > S+ 0 0 34 -3,-0.4 4,-2.8 2,-0.2 -2,-0.2 0.918 107.3 51.9 -63.9 -46.5 0.3 75.5 34.3 74 99 A A H X S+ 0 0 0 -4,-1.6 4,-1.5 2,-0.2 -2,-0.2 0.937 113.8 44.7 -52.1 -50.4 -2.9 73.4 33.9 75 100 A E H X S+ 0 0 89 -4,-1.8 4,-1.3 1,-0.2 3,-0.2 0.942 117.2 42.3 -59.3 -58.1 -3.8 74.5 37.5 76 101 A Q H X S+ 0 0 140 -4,-3.0 4,-1.9 1,-0.2 -1,-0.2 0.772 108.5 62.0 -64.2 -28.5 -3.0 78.2 37.1 77 102 A F H X S+ 0 0 2 -4,-2.8 4,-2.6 2,-0.2 -1,-0.2 0.926 103.9 46.4 -60.8 -52.5 -4.6 78.3 33.5 78 103 A V H X S+ 0 0 2 -4,-1.5 4,-2.7 -3,-0.2 -1,-0.2 0.868 112.1 53.7 -56.7 -41.8 -8.2 77.4 34.8 79 104 A A H X S+ 0 0 42 -4,-1.3 4,-1.9 2,-0.2 -1,-0.2 0.888 113.3 40.2 -60.5 -47.8 -7.7 80.0 37.6 80 105 A Q H X S+ 0 0 95 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.873 116.4 50.2 -72.1 -40.7 -6.8 82.9 35.1 81 106 A A H X S+ 0 0 0 -4,-2.6 4,-1.8 2,-0.2 6,-0.2 0.910 111.6 48.6 -61.0 -47.7 -9.5 81.7 32.6 82 107 A G H X>S+ 0 0 5 -4,-2.7 4,-1.8 1,-0.2 5,-1.1 0.920 110.3 51.9 -57.6 -47.4 -12.1 81.6 35.3 83 108 A K H <5S+ 0 0 159 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.842 108.5 51.8 -56.7 -41.4 -11.0 85.1 36.4 84 109 A L H <5S+ 0 0 64 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.869 120.7 31.1 -65.9 -40.6 -11.4 86.4 32.8 85 110 A M H <5S- 0 0 21 -4,-1.8 -2,-0.2 2,-0.2 -1,-0.2 0.498 103.9-121.5 -96.4 -9.9 -15.0 85.1 32.4 86 111 A G T <5S- 0 0 71 -4,-1.8 2,-0.3 -5,-0.2 -3,-0.2 0.586 84.6 -5.5 74.6 13.0 -16.1 85.4 36.1 87 112 A G S + 0 0 85 1,-0.2 4,-1.4 2,-0.1 3,-0.2 -0.507 14.0 157.3 -81.6 77.7 9.9 54.4 23.9 108 133 A I H > S+ 0 0 29 -2,-1.9 4,-2.6 1,-0.2 -1,-0.2 0.803 71.0 60.1 -69.1 -31.4 8.8 54.5 27.6 109 134 A H H > S+ 0 0 124 -3,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.848 105.1 49.4 -66.1 -35.4 9.3 58.3 27.7 110 135 A H H > S+ 0 0 47 2,-0.2 4,-2.4 -3,-0.2 -2,-0.2 0.896 108.9 50.2 -71.6 -40.6 6.7 58.6 24.9 111 136 A V H X S+ 0 0 0 -4,-1.4 4,-2.3 2,-0.2 -2,-0.2 0.953 115.2 46.6 -59.8 -47.6 4.2 56.3 26.8 112 137 A R H X S+ 0 0 75 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.915 111.5 49.2 -58.8 -51.8 4.8 58.6 29.9 113 138 A K H X S+ 0 0 63 -4,-2.6 4,-3.0 2,-0.2 5,-0.3 0.880 113.2 47.3 -55.8 -45.6 4.5 61.9 28.0 114 139 A S H X>S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 5,-0.6 0.919 111.9 49.9 -62.9 -46.9 1.2 60.8 26.3 115 140 A M H X>S+ 0 0 2 -4,-2.3 5,-2.5 -5,-0.2 4,-0.9 0.880 116.1 44.4 -60.3 -37.6 -0.2 59.6 29.7 116 141 A E H <>S+ 0 0 44 -4,-2.4 5,-2.4 3,-0.2 -2,-0.2 0.947 123.6 31.1 -71.2 -53.7 0.8 63.0 31.2 117 142 A V H <5S+ 0 0 12 -4,-3.0 -3,-0.2 3,-0.2 -2,-0.2 0.903 128.8 36.8 -73.1 -50.4 -0.5 65.4 28.4 118 143 A N H <5S+ 0 0 0 -4,-2.5 -3,-0.2 -5,-0.3 -2,-0.1 0.709 135.3 13.0 -78.0 -25.9 -3.5 63.3 27.1 119 144 A F T >X S+ 0 0 0 -3,-0.9 4,-2.2 2,-0.2 -1,-0.2 0.927 111.6 45.7 -67.9 -47.1 -7.3 66.3 31.9 123 148 A V H X S+ 0 0 0 -4,-1.6 4,-2.5 2,-0.2 -2,-0.2 0.926 114.2 48.7 -60.4 -49.5 -7.7 65.1 35.5 124 149 A V H X S+ 0 0 2 -4,-3.0 4,-1.9 1,-0.2 -2,-0.2 0.910 112.4 48.5 -58.4 -44.9 -5.6 68.1 36.8 125 150 A L H X S+ 0 0 0 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.894 111.8 50.4 -62.9 -41.0 -7.8 70.6 34.7 126 151 A T H X S+ 0 0 4 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.919 108.7 49.8 -61.4 -51.5 -11.0 68.9 36.0 127 152 A V H < S+ 0 0 33 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.912 114.2 46.4 -55.3 -47.1 -10.0 69.1 39.7 128 153 A A H < S+ 0 0 36 -4,-1.9 4,-0.3 1,-0.2 -1,-0.2 0.862 118.2 41.9 -61.4 -42.7 -9.2 72.8 39.3 129 154 A A H X S+ 0 0 0 -4,-2.0 4,-2.5 1,-0.2 3,-0.4 0.682 91.4 87.5 -80.7 -26.6 -12.4 73.5 37.3 130 155 A L H X S+ 0 0 19 -4,-2.3 4,-1.7 1,-0.2 -1,-0.2 0.813 84.6 51.8 -50.3 -43.7 -14.8 71.5 39.5 131 156 A P H > S+ 0 0 80 0, 0.0 4,-1.1 0, 0.0 -1,-0.2 0.932 115.8 42.6 -61.5 -42.8 -15.6 74.2 42.2 132 157 A M H > S+ 0 0 39 -3,-0.4 4,-1.4 -4,-0.3 -44,-0.3 0.880 113.7 51.6 -65.7 -43.2 -16.6 76.7 39.4 133 158 A L H X>S+ 0 0 0 -4,-2.5 5,-2.9 1,-0.2 4,-0.6 0.763 105.2 57.0 -65.8 -27.7 -18.5 74.0 37.4 134 159 A K H <5S+ 0 0 98 -4,-1.7 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106.8 54.7 -58.1 -37.1 8.2 36.2 49.4 304 72 B Q H X S+ 0 0 75 -4,-1.9 4,-2.4 2,-0.2 5,-0.2 0.966 109.1 46.2 -58.4 -55.1 10.6 33.9 51.4 305 73 B K H X S+ 0 0 146 -4,-1.7 4,-1.9 1,-0.2 -2,-0.2 0.849 114.0 49.5 -55.5 -40.8 7.7 31.8 52.8 306 74 B V H X S+ 0 0 1 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.928 110.2 50.5 -64.9 -47.5 6.1 31.6 49.3 307 75 B V H X S+ 0 0 17 -4,-2.7 4,-1.8 2,-0.2 -2,-0.2 0.898 111.0 47.6 -60.0 -46.2 9.4 30.5 47.7 308 76 B S H X S+ 0 0 60 -4,-2.4 4,-1.5 1,-0.2 -1,-0.2 0.919 111.4 50.7 -64.0 -41.4 9.9 27.7 50.2 309 77 B H H X S+ 0 0 67 -4,-1.9 4,-1.1 1,-0.2 -1,-0.2 0.833 106.9 55.9 -64.5 -32.2 6.3 26.5 49.8 310 78 B C H ><>S+ 0 0 0 -4,-1.9 5,-1.4 2,-0.2 3,-0.6 0.924 106.7 48.5 -63.3 -46.2 6.8 26.5 46.0 311 79 B L H ><5S+ 0 0 93 -4,-1.8 3,-0.5 1,-0.2 -1,-0.2 0.796 108.2 55.8 -64.4 -29.9 9.8 24.1 46.4 312 80 B E H 3<5S+ 0 0 149 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.748 104.2 53.6 -71.5 -29.6 7.7 21.9 48.7 313 81 B L T <<5S- 0 0 47 -4,-1.1 -1,-0.2 -3,-0.6 -2,-0.2 0.537 129.8 -93.4 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4,-2.2 1,-0.2 5,-0.1 0.751 95.3 61.2 -61.7 -31.7 -8.7 32.7 44.2 467 239 B E H > S+ 0 0 77 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.904 110.6 37.7 -64.2 -46.2 -7.4 29.1 43.7 468 240 B E H > S+ 0 0 111 -3,-0.3 4,-2.5 2,-0.2 -2,-0.2 0.898 114.8 55.7 -74.4 -41.1 -9.5 28.5 40.6 469 241 B C H X S+ 0 0 0 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.894 108.0 50.0 -52.8 -46.3 -9.0 32.1 39.4 470 242 B A H X S+ 0 0 0 -4,-2.2 4,-1.6 1,-0.2 -1,-0.2 0.902 111.2 47.3 -61.6 -45.2 -5.2 31.5 39.6 471 243 B L H X S+ 0 0 46 -4,-1.6 4,-2.5 2,-0.2 -2,-0.2 0.864 110.6 52.8 -66.1 -39.0 -5.4 28.2 37.6 472 244 B E H X S+ 0 0 61 -4,-2.5 4,-3.1 2,-0.2 5,-0.2 0.938 106.1 52.1 -61.9 -51.0 -7.6 29.9 34.9 473 245 B I H X S+ 0 0 0 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.911 114.1 44.2 -50.1 -51.2 -5.2 32.8 34.3 474 246 B I H X S+ 0 0 0 -4,-1.6 4,-3.1 2,-0.2 -1,-0.2 0.916 113.5 50.7 -59.6 -49.4 -2.3 30.3 33.8 475 247 B K H X S+ 0 0 61 -4,-2.5 4,-2.9 1,-0.2 -2,-0.2 0.917 111.5 47.9 -55.5 -49.4 -4.5 28.0 31.6 476 248 B G H <>S+ 0 0 2 -4,-3.1 5,-2.2 2,-0.2 -1,-0.2 0.887 114.0 46.3 -59.8 -45.2 -5.5 31.0 29.4 477 249 B G H ><5S+ 0 0 0 -4,-2.1 3,-1.5 -5,-0.2 -2,-0.2 0.941 113.5 48.5 -61.3 -51.5 -1.9 32.2 29.1 478 250 B A H 3<5S+ 0 0 27 -4,-3.1 -2,-0.2 1,-0.3 -1,-0.2 0.885 111.9 49.6 -56.5 -43.8 -0.6 28.6 28.3 479 251 B L T 3<5S- 0 0 43 -4,-2.9 -1,-0.3 -5,-0.2 -2,-0.2 0.426 112.1-124.4 -80.3 4.3 -3.4 28.2 25.7 480 252 B R T < 5 + 0 0 92 -3,-1.5 -38,-0.2 1,-0.2 -3,-0.2 0.687 48.3 169.4 59.9 28.2 -2.4 31.6 24.1 481 253 B Q < - 0 0 84 -5,-2.2 -1,-0.2 -6,-0.2 3,-0.1 -0.310 37.2-139.1 -66.2 146.5 -6.0 33.0 24.5 482 254 B E S S+ 0 0 83 1,-0.2 -38,-2.9 -39,-0.2 2,-0.3 0.885 86.5 20.7 -74.4 -44.3 -6.5 36.8 23.9 483 255 B E E -m 444 0C 39 -40,-0.2 2,-0.4 -7,-0.0 -38,-0.2 -0.946 62.5-161.9-129.2 149.1 -8.9 37.2 26.8 484 256 B V E -m 445 0C 5 -40,-2.0 -38,-3.7 -2,-0.3 2,-0.4 -0.999 11.1-158.8-127.2 129.0 -9.6 35.2 30.0 485 257 B Y E +m 446 0C 48 -2,-0.4 2,-0.3 -40,-0.2 -38,-0.2 -0.924 14.1 172.0-111.3 135.6 -12.9 35.7 31.9 486 258 B Y E +m 447 0C 19 -40,-2.1 -38,-2.4 -2,-0.4 2,-0.3 -0.874 16.4 139.4-146.0 112.0 -13.3 34.7 35.5 487 259 B D - 0 0 32 -2,-0.3 -37,-0.1 -40,-0.2 6,-0.1 -0.979 56.0-123.8-148.8 152.9 -16.4 35.6 37.5 488 260 B S S S+ 0 0 64 -2,-0.3 2,-0.4 -39,-0.2 -25,-0.0 0.590 95.6 72.7 -74.1 -12.1 -18.7 33.9 40.1 489 261 B S > - 0 0 32 1,-0.1 4,-1.7 -25,-0.0 -2,-0.1 -0.916 60.9-161.6-109.6 133.5 -21.7 34.6 37.7 490 262 B R H > S+ 0 0 185 -2,-0.4 4,-2.1 2,-0.2 5,-0.2 0.876 98.5 56.0 -72.4 -40.1 -22.4 32.8 34.4 491 263 B W H > S+ 0 0 193 2,-0.2 4,-1.4 1,-0.2 -1,-0.1 0.926 108.2 45.2 -61.2 -48.1 -24.7 35.7 33.5 492 264 B T H >> S+ 0 0 28 1,-0.2 4,-0.6 2,-0.2 3,-0.5 0.920 109.7 56.8 -60.3 -45.3 -21.9 38.3 33.9 493 265 B T H >X S+ 0 0 47 -4,-1.7 3,-1.1 1,-0.2 4,-0.6 0.875 105.7 50.7 -53.8 -41.7 -19.5 36.0 32.0 494 266 B L H 3< S+ 0 0 107 -4,-2.1 3,-0.3 1,-0.3 -1,-0.2 0.846 109.5 52.0 -63.6 -36.3 -21.9 36.0 29.0 495 267 B L H << S+ 0 0 39 -4,-1.4 -1,-0.3 -3,-0.5 -2,-0.2 0.500 91.2 76.2 -82.5 -5.7 -22.0 39.8 29.1 496 268 B I H << S+ 0 0 19 -3,-1.1 -1,-0.2 -4,-0.6 -2,-0.2 0.904 70.7 93.8 -78.7 -34.6 -18.3 40.4 29.0 497 269 B R < - 0 0 158 -4,-0.6 -254,-0.1 -3,-0.3 -3,-0.0 -0.185 58.0-158.3 -54.8 139.5 -17.6 39.6 25.2 498 270 B N >> + 0 0 43 1,-0.1 4,-1.6 -255,-0.1 3,-0.6 -0.672 18.1 170.4-120.9 76.4 -17.6 42.7 22.9 499 271 B P H 3> S+ 0 0 76 0, 0.0 4,-1.9 0, 0.0 -1,-0.1 0.809 77.7 58.4 -56.3 -31.0 -18.3 41.4 19.3 500 272 B S H 3> S+ 0 0 28 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.893 104.6 51.0 -64.3 -41.0 -18.8 45.0 17.9 501 273 B R H <> S+ 0 0 25 -3,-0.6 4,-2.7 2,-0.2 -1,-0.2 0.940 108.9 52.0 -60.4 -44.8 -15.2 45.9 19.1 502 274 B K H X S+ 0 0 65 -4,-1.6 4,-2.0 1,-0.2 -1,-0.2 0.858 110.7 47.1 -58.8 -44.3 -13.9 42.8 17.3 503 275 B I H X S+ 0 0 83 -4,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.892 111.6 50.1 -64.4 -47.2 -15.6 43.7 14.0 504 276 B L H X S+ 0 0 7 -4,-2.5 4,-1.3 2,-0.2 -2,-0.2 0.930 111.9 49.7 -58.8 -46.6 -14.4 47.4 14.2 505 277 B E H X S+ 0 0 6 -4,-2.7 4,-0.9 1,-0.2 3,-0.3 0.912 115.9 41.3 -56.9 -46.8 -10.8 46.1 14.9 506 278 B E H X S+ 0 0 114 -4,-2.0 4,-0.7 1,-0.2 -1,-0.2 0.698 101.0 70.9 -81.8 -16.4 -11.0 43.7 11.9 507 279 B L H < S+ 0 0 85 -4,-1.8 3,-0.4 1,-0.2 -1,-0.2 0.917 105.3 41.7 -62.6 -41.3 -12.7 46.2 9.7 508 280 B Y H < S+ 0 0 82 -4,-1.3 -1,-0.2 -3,-0.3 -2,-0.2 0.857 91.8 83.7 -64.3 -39.4 -9.4 48.1 9.6 509 281 B S H < S+ 0 0 65 -4,-0.9 2,-0.5 1,-0.2 -1,-0.2 0.736 77.1 80.4 -57.2 -31.1 -7.1 45.1 9.3 510 282 B T < 0 0 114 -4,-0.7 -1,-0.2 -3,-0.4 0, 0.0 -0.970 360.0 360.0-110.8 121.0 -7.7 45.1 5.6 511 283 B S 0 0 119 -2,-0.5 -1,-0.4 0, 0.0 -2,-0.1 -0.993 360.0 360.0 45.3 360.0 -5.9 47.2 4.5