==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-DEC-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 20-SEP-12 4BB6 . COMPND 2 MOLECULE: CORTICOSTEROID 11-BETA-DEHYDROGENASE ISOZYME 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR F.W.GOLDBERG,A.G.LEACH,J.S.SCOTT,W.L.SNELSON,S.D.GROOMBRIDGE . 524 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22835.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 393 75.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 72 13.7 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 . 32 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 222 42.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 3.1 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 1 3 0 0 0 3 2 1 4 2 0 2 0 0 0 0 0 2 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 2 6 0 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 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 0 200 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -39.8 -33.9 69.8 20.4 2 27 A F - 0 0 44 3,-0.0 220,-0.1 2,-0.0 3,-0.0 -0.639 360.0-174.6 -88.3 142.2 -30.7 71.9 20.2 3 28 A R > - 0 0 128 -2,-0.3 3,-1.9 1,-0.1 4,-0.2 -0.998 29.3-135.7-133.1 134.1 -30.8 75.7 19.7 4 29 A P G > S+ 0 0 64 0, 0.0 3,-1.7 0, 0.0 4,-0.2 0.754 102.0 74.4 -59.3 -24.0 -27.6 77.8 19.2 5 30 A E G > S+ 0 0 108 1,-0.3 3,-2.1 2,-0.2 -3,-0.0 0.780 77.6 78.0 -57.3 -27.7 -29.2 80.3 21.6 6 31 A M G < S+ 0 0 48 -3,-1.9 -1,-0.3 1,-0.3 26,-0.0 0.737 94.8 46.5 -53.1 -27.4 -28.4 77.8 24.4 7 32 A L G X S+ 0 0 4 -3,-1.7 3,-1.8 -4,-0.2 -1,-0.3 0.403 81.3 126.6 -98.1 1.7 -24.7 79.0 24.3 8 33 A Q T < S- 0 0 144 -3,-2.1 26,-0.2 1,-0.3 25,-0.2 -0.416 88.0 -3.9 -68.2 127.2 -25.5 82.8 24.3 9 34 A G T 3 S+ 0 0 37 24,-2.3 -1,-0.3 1,-0.2 25,-0.2 0.552 99.9 145.0 66.4 10.0 -23.6 84.5 27.1 10 35 A K < - 0 0 88 -3,-1.8 25,-3.4 1,-0.1 2,-0.6 -0.365 51.2-121.9 -80.5 160.5 -22.3 81.2 28.4 11 36 A K E +a 35 0A 58 23,-0.2 78,-2.7 -3,-0.1 79,-2.1 -0.888 38.8 174.9-112.6 111.3 -18.8 80.9 29.9 12 37 A V E -ab 36 90A 0 23,-1.7 25,-2.3 -2,-0.6 2,-0.4 -0.954 24.6-159.8-133.7 131.3 -16.6 78.4 28.1 13 38 A I E -ab 37 91A 0 77,-2.2 79,-1.9 -2,-0.4 2,-0.4 -0.866 11.3-171.4 -98.4 135.6 -13.0 77.1 28.1 14 39 A V E -ab 38 92A 0 23,-2.1 25,-1.5 -2,-0.4 3,-0.4 -0.972 5.0-162.2-125.7 119.0 -11.6 75.4 25.1 15 40 A T S S+ 0 0 1 77,-2.4 25,-0.1 -2,-0.4 23,-0.0 -0.606 76.5 30.5 -91.6 162.4 -8.2 73.7 25.4 16 41 A G S S+ 0 0 17 23,-0.3 3,-0.5 -2,-0.2 6,-0.4 0.861 80.1 142.4 60.7 36.7 -6.2 72.8 22.2 17 42 A A + 0 0 0 22,-2.2 23,-0.2 -3,-0.4 -1,-0.1 0.323 38.9 85.6 -99.5 13.6 -7.8 75.8 20.5 18 43 A S S S- 0 0 15 21,-0.4 2,-0.2 31,-0.0 -1,-0.2 0.787 106.3 -8.9 -79.2 -27.5 -4.9 77.1 18.4 19 44 A K S > S+ 0 0 105 -3,-0.5 4,-2.2 30,-0.0 3,-0.4 -0.780 105.6 25.8-151.0-172.8 -5.7 74.7 15.5 20 45 A G H > S- 0 0 17 -2,-0.2 4,-1.9 2,-0.2 3,-0.4 0.155 117.9 -15.8 50.0-150.1 -7.9 71.7 14.5 21 46 A I H > S+ 0 0 21 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.836 135.9 60.1 -54.0 -36.8 -11.2 70.8 16.1 22 47 A G H > S+ 0 0 0 -6,-0.4 4,-2.4 -3,-0.4 -5,-0.2 0.944 103.9 47.3 -57.6 -50.1 -10.4 73.2 19.0 23 48 A R H X S+ 0 0 71 -4,-2.2 4,-2.3 -7,-0.4 -1,-0.2 0.932 113.5 50.6 -57.9 -41.3 -10.1 76.2 16.8 24 49 A E H X S+ 0 0 29 -4,-1.9 4,-2.6 1,-0.2 -2,-0.2 0.875 107.9 50.9 -65.7 -38.5 -13.4 75.2 15.1 25 50 A M H X S+ 0 0 0 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.920 108.9 52.3 -66.3 -41.4 -15.2 74.8 18.4 26 51 A A H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.946 111.6 47.7 -54.6 -48.3 -14.0 78.3 19.5 27 52 A Y H X S+ 0 0 39 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.893 110.8 48.7 -63.7 -44.7 -15.3 79.7 16.2 28 53 A H H X S+ 0 0 34 -4,-2.6 4,-0.8 2,-0.2 -1,-0.2 0.906 112.5 49.8 -60.3 -41.3 -18.8 78.0 16.5 29 54 A L H ><>S+ 0 0 0 -4,-2.3 5,-2.1 2,-0.2 3,-0.7 0.904 108.2 52.1 -67.2 -41.4 -19.1 79.2 20.1 30 55 A A H ><5S+ 0 0 0 -4,-2.3 3,-2.2 1,-0.2 -1,-0.2 0.936 104.6 57.2 -54.3 -48.8 -18.2 82.8 19.1 31 56 A K H 3<5S+ 0 0 151 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.727 107.1 49.8 -53.7 -26.7 -20.9 82.6 16.4 32 57 A M T <<5S- 0 0 21 -4,-0.8 -1,-0.3 -3,-0.7 -2,-0.2 0.261 121.1-108.8 -99.1 7.0 -23.4 81.8 19.2 33 58 A G T < 5 + 0 0 14 -3,-2.2 -24,-2.3 -25,-0.2 -3,-0.2 0.811 63.4 155.6 74.2 31.8 -22.3 84.8 21.3 34 59 A A < - 0 0 0 -5,-2.1 25,-2.1 -26,-0.2 26,-1.2 -0.321 48.5-117.4 -79.1 165.5 -20.4 82.8 24.0 35 60 A H E -ac 11 60A 50 -25,-3.4 -23,-1.7 24,-0.3 2,-0.4 -0.875 43.0-172.0 -91.5 140.6 -17.7 84.1 26.2 36 61 A V E -ac 12 61A 1 24,-0.9 26,-1.9 -2,-0.4 2,-0.5 -0.993 25.7-167.9-143.2 132.0 -14.6 82.0 25.4 37 62 A V E -ac 13 62A 0 -25,-2.3 -23,-2.1 -2,-0.4 2,-0.3 -0.989 21.5-165.7-116.4 121.0 -11.1 81.5 26.9 38 63 A V E -ac 14 63A 2 24,-2.3 26,-1.6 -2,-0.5 2,-0.3 -0.752 4.3-168.5-107.3 155.3 -8.9 79.5 24.5 39 64 A T E + c 0 64A 2 -25,-1.5 -22,-2.2 -2,-0.3 -21,-0.4 -0.964 23.6 123.0-148.2 161.4 -5.5 77.9 25.3 40 65 A A E - c 0 65A 14 24,-0.7 26,-2.1 -2,-0.3 24,-0.0 -0.906 64.5 -89.0 166.5 176.1 -2.5 76.2 23.6 41 66 A R S S+ 0 0 145 -2,-0.3 2,-0.8 24,-0.3 3,-0.1 0.846 101.3 79.0 -86.0 -36.5 1.3 76.8 23.6 42 67 A S > - 0 0 57 1,-0.2 4,-1.8 24,-0.1 5,-0.1 -0.651 52.3-178.2 -76.2 107.8 1.5 79.2 20.6 43 68 A K H > S+ 0 0 126 -2,-0.8 4,-2.4 2,-0.2 -1,-0.2 0.872 82.9 59.7 -68.3 -33.2 0.4 82.7 21.8 44 69 A E H > S+ 0 0 149 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.911 109.7 39.8 -65.8 -43.6 0.9 84.0 18.2 45 70 A T H > S+ 0 0 43 1,-0.2 4,-2.1 2,-0.2 3,-0.3 0.880 111.6 57.7 -70.8 -39.0 -1.7 81.6 16.8 46 71 A L H X S+ 0 0 0 -4,-1.8 4,-2.7 1,-0.2 -2,-0.2 0.879 100.1 58.9 -60.2 -38.1 -4.0 82.0 19.7 47 72 A Q H X S+ 0 0 90 -4,-2.4 4,-1.5 1,-0.2 -1,-0.2 0.887 105.8 48.1 -56.4 -43.2 -4.1 85.8 19.0 48 73 A K H X S+ 0 0 160 -4,-1.0 4,-2.1 -3,-0.3 5,-0.2 0.918 111.8 49.5 -64.8 -44.8 -5.4 85.1 15.5 49 74 A V H X S+ 0 0 1 -4,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.934 109.0 52.5 -57.8 -45.5 -8.1 82.8 16.8 50 75 A V H X S+ 0 0 10 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.825 108.8 52.2 -62.8 -32.2 -9.1 85.3 19.5 51 76 A S H X S+ 0 0 60 -4,-1.5 4,-2.8 2,-0.2 -1,-0.2 0.943 107.6 47.2 -73.0 -48.3 -9.5 88.0 16.8 52 77 A H H X S+ 0 0 69 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.793 110.3 57.6 -66.3 -24.7 -11.8 86.0 14.4 53 78 A C H X>S+ 0 0 1 -4,-1.8 5,-1.7 -5,-0.2 4,-1.4 0.982 107.3 44.2 -63.0 -57.6 -13.9 85.1 17.5 54 79 A L H ><5S+ 0 0 95 -4,-2.0 3,-1.0 1,-0.3 -2,-0.2 0.955 114.8 51.8 -49.6 -48.1 -14.5 88.7 18.4 55 80 A E H 3<5S+ 0 0 151 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.855 105.9 54.3 -58.5 -37.2 -15.2 89.2 14.7 56 81 A L H 3<5S- 0 0 46 -4,-1.9 -1,-0.3 -3,-0.3 -2,-0.2 0.691 127.9 -90.9 -73.7 -22.1 -17.7 86.3 14.6 57 82 A G T <<5 + 0 0 43 -4,-1.4 -3,-0.2 -3,-1.0 -2,-0.1 0.566 60.7 168.9 120.4 17.8 -19.8 87.8 17.5 58 83 A A < - 0 0 14 -5,-1.7 -23,-0.2 1,-0.1 -1,-0.2 -0.275 43.1-129.6 -53.6 136.3 -18.3 86.3 20.7 59 84 A A S S- 0 0 51 -25,-2.1 2,-0.3 1,-0.3 -24,-0.3 0.869 91.2 -27.1 -58.1 -33.6 -19.7 88.0 23.9 60 85 A S E -c 35 0A 23 -26,-1.2 -24,-0.9 2,-0.0 2,-0.3 -0.942 65.0-155.2-163.9 174.0 -15.9 88.2 24.6 61 86 A A E +c 36 0A 6 -2,-0.3 2,-0.3 -26,-0.2 -24,-0.2 -0.878 17.7 159.3-160.3 123.8 -12.8 86.3 23.7 62 87 A H E -c 37 0A 77 -26,-1.9 -24,-2.3 -2,-0.3 2,-0.3 -0.893 19.9-143.8-135.5 166.3 -9.3 85.9 25.4 63 88 A Y E -c 38 0A 75 -2,-0.3 2,-0.3 -26,-0.2 -24,-0.2 -0.957 8.5-169.1-131.5 156.3 -6.3 83.6 25.5 64 89 A I E -c 39 0A 27 -26,-1.6 -24,-0.7 -2,-0.3 2,-0.3 -0.964 21.9-147.2-136.4 121.6 -3.8 82.2 27.9 65 90 A A E +c 40 0A 37 -2,-0.3 -24,-0.3 -26,-0.2 2,-0.3 -0.685 36.7 113.0 -97.3 144.8 -0.7 80.4 26.5 66 91 A G - 0 0 19 -26,-2.1 2,-0.5 -2,-0.3 -24,-0.1 -0.947 58.2 -87.1 169.5 166.6 1.1 77.4 28.1 67 92 A T > - 0 0 43 -2,-0.3 3,-1.5 -26,-0.1 6,-0.2 -0.851 20.3-147.3-101.2 133.1 2.1 73.7 28.1 68 93 A M T 3 S+ 0 0 13 -2,-0.5 53,-0.1 1,-0.3 -1,-0.1 0.260 92.4 82.2 -85.7 13.2 -0.2 71.2 29.7 69 94 A E T 3 S+ 0 0 86 1,-0.1 2,-0.9 52,-0.0 -1,-0.3 0.598 82.3 77.4 -73.8 -17.2 2.9 69.2 30.7 70 95 A D <> - 0 0 74 -3,-1.5 4,-2.0 1,-0.2 -1,-0.1 -0.829 63.9-172.9-101.9 99.8 2.8 71.7 33.5 71 96 A M H > S+ 0 0 23 -2,-0.9 4,-2.3 1,-0.2 5,-0.2 0.836 87.3 56.9 -59.1 -35.4 0.2 70.8 36.1 72 97 A T H > S+ 0 0 78 1,-0.2 4,-2.5 2,-0.2 5,-0.3 0.938 107.4 48.5 -63.4 -44.6 0.8 74.1 37.9 73 98 A F H > S+ 0 0 27 2,-0.2 4,-2.5 -6,-0.2 -2,-0.2 0.869 107.2 56.4 -60.6 -37.8 -0.0 75.9 34.7 74 99 A A H X S+ 0 0 0 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.980 111.2 42.7 -55.4 -58.1 -3.1 73.7 34.3 75 100 A E H X S+ 0 0 106 -4,-2.3 4,-1.8 1,-0.2 3,-0.4 0.934 116.5 46.4 -50.7 -58.8 -4.5 74.8 37.8 76 101 A Q H X S+ 0 0 99 -4,-2.5 4,-2.9 1,-0.2 5,-0.3 0.865 106.6 60.3 -57.1 -39.0 -3.6 78.5 37.4 77 102 A F H X S+ 0 0 0 -4,-2.5 4,-2.5 -5,-0.3 -1,-0.2 0.927 104.7 47.7 -57.1 -45.3 -5.1 78.6 33.9 78 103 A V H X S+ 0 0 0 -4,-1.7 4,-2.4 -3,-0.4 -1,-0.2 0.948 113.6 47.3 -63.5 -46.3 -8.5 77.6 35.1 79 104 A A H X S+ 0 0 54 -4,-1.8 4,-2.7 1,-0.2 -2,-0.2 0.946 113.9 47.3 -57.2 -52.7 -8.5 80.2 37.9 80 105 A Q H X S+ 0 0 84 -4,-2.9 4,-1.9 1,-0.2 -1,-0.2 0.870 113.7 48.8 -55.4 -41.8 -7.2 82.9 35.5 81 106 A A H X S+ 0 0 0 -4,-2.5 4,-1.1 -5,-0.3 -1,-0.2 0.832 110.6 50.6 -68.6 -36.7 -9.9 81.9 32.9 82 107 A G H X>S+ 0 0 5 -4,-2.4 5,-1.8 2,-0.2 4,-1.7 0.908 109.2 50.1 -67.6 -44.8 -12.6 82.0 35.6 83 108 A K H <5S+ 0 0 177 -4,-2.7 3,-0.3 1,-0.2 -2,-0.2 0.933 108.7 54.5 -56.9 -44.9 -11.6 85.4 36.8 84 109 A L H <5S+ 0 0 80 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.776 120.6 29.0 -61.9 -30.6 -11.7 86.6 33.1 85 110 A M H <5S- 0 0 16 -4,-1.1 -1,-0.2 -3,-0.4 -2,-0.2 0.497 104.0-119.9-107.2 -5.8 -15.3 85.4 32.6 86 111 A G T <5S- 0 0 59 -4,-1.7 2,-0.3 -3,-0.3 -3,-0.2 0.875 84.2 -10.0 63.4 38.2 -16.7 85.8 36.1 87 112 A G S + 0 0 85 1,-0.2 4,-2.0 2,-0.1 3,-0.4 -0.376 7.9 153.6 -84.6 75.3 9.7 54.9 23.9 108 133 A I H > S+ 0 0 28 -2,-2.5 4,-2.2 1,-0.2 5,-0.2 0.783 73.5 63.6 -62.9 -28.5 8.7 55.1 27.6 109 134 A H H > S+ 0 0 126 -3,-0.3 4,-2.5 1,-0.2 -1,-0.2 0.940 105.1 43.6 -60.3 -43.7 9.3 58.8 27.3 110 135 A H H > S+ 0 0 49 -3,-0.4 4,-2.6 2,-0.2 5,-0.2 0.902 111.5 52.2 -73.9 -38.5 6.5 59.0 24.9 111 136 A V H X S+ 0 0 0 -4,-2.0 4,-2.5 1,-0.2 -1,-0.2 0.950 114.6 44.5 -59.5 -46.1 4.0 56.8 26.8 112 137 A R H X S+ 0 0 85 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.903 112.8 48.5 -67.1 -43.1 4.6 58.9 29.9 113 138 A K H X S+ 0 0 60 -4,-2.5 4,-2.7 -5,-0.2 5,-0.4 0.904 112.5 51.3 -62.8 -39.1 4.3 62.3 28.2 114 139 A S H X>S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.2 5,-0.6 0.940 109.6 48.4 -60.5 -49.8 1.1 61.0 26.5 115 140 A M H X>S+ 0 0 14 -4,-2.5 5,-2.8 -5,-0.2 4,-0.9 0.874 114.9 47.6 -61.7 -31.9 -0.3 59.9 29.8 116 141 A E H <>S+ 0 0 43 -4,-2.0 5,-1.8 3,-0.2 -2,-0.2 0.960 121.6 29.6 -73.7 -54.3 0.6 63.3 31.4 117 142 A V H <5S+ 0 0 10 -4,-2.7 -3,-0.2 3,-0.2 -2,-0.2 0.904 127.6 40.5 -74.3 -44.1 -0.7 65.7 28.7 118 143 A N H <5S+ 0 0 0 -4,-2.1 -3,-0.2 -5,-0.4 -1,-0.2 0.777 134.5 8.6 -80.2 -29.3 -3.6 63.6 27.4 119 144 A F T >X S+ 0 0 0 -3,-1.1 4,-1.9 2,-0.2 -1,-0.2 0.902 109.4 45.6 -65.9 -37.4 -7.6 66.6 32.0 123 148 A V H X S+ 0 0 0 -4,-1.5 4,-3.0 2,-0.2 -2,-0.2 0.961 112.8 47.6 -69.2 -52.0 -8.1 65.5 35.6 124 149 A V H X S+ 0 0 4 -4,-2.3 4,-1.7 1,-0.2 -1,-0.2 0.862 112.5 52.0 -57.1 -35.8 -6.1 68.5 37.1 125 150 A L H X S+ 0 0 0 -4,-2.1 4,-1.8 -5,-0.2 -1,-0.2 0.937 110.2 48.3 -65.7 -41.0 -8.1 70.7 34.8 126 151 A T H X S+ 0 0 5 -4,-1.9 4,-1.8 1,-0.2 -2,-0.2 0.947 108.6 52.2 -67.3 -47.5 -11.4 69.2 36.1 127 152 A V H < S+ 0 0 31 -4,-3.0 3,-0.3 1,-0.2 -1,-0.2 0.912 111.3 47.5 -56.4 -43.4 -10.5 69.5 39.8 128 153 A A H < S+ 0 0 34 -4,-1.7 4,-0.4 -5,-0.2 -1,-0.2 0.883 117.1 44.5 -62.4 -34.6 -9.7 73.2 39.3 129 154 A A H X S+ 0 0 0 -4,-1.8 4,-2.3 -3,-0.2 -1,-0.2 0.658 88.9 86.2 -84.6 -23.0 -12.9 73.8 37.4 130 155 A L H X S+ 0 0 22 -4,-1.8 4,-3.4 -3,-0.3 5,-0.3 0.849 83.6 53.9 -62.2 -41.4 -15.4 71.9 39.6 131 156 A P H > S+ 0 0 83 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.971 113.8 44.3 -55.6 -49.9 -16.3 74.6 42.1 132 157 A M H > S+ 0 0 30 -4,-0.4 4,-1.3 1,-0.2 -44,-0.3 0.905 115.8 47.5 -59.0 -42.3 -17.2 77.0 39.3 133 158 A L H X>S+ 0 0 0 -4,-2.3 5,-2.9 1,-0.2 4,-0.6 0.874 107.9 54.9 -70.2 -36.6 -19.1 74.2 37.4 134 159 A K H ><5S+ 0 0 104 -4,-3.4 3,-0.7 1,-0.2 -1,-0.2 0.898 108.4 49.4 -62.6 -39.7 -21.1 73.0 40.5 135 160 A Q H 3<5S+ 0 0 159 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.833 118.9 37.5 -70.9 -28.5 -22.4 76.6 41.1 136 161 A S H 3<5S- 0 0 40 -4,-1.3 -1,-0.2 -48,-0.3 -2,-0.2 0.331 107.0-119.5 -99.0 7.3 -23.5 77.0 37.5 137 162 A N T <<5 + 0 0 86 -3,-0.7 -3,-0.2 -4,-0.6 47,-0.2 0.881 59.7 177.0 47.3 44.1 -24.7 73.4 37.0 138 163 A G < - 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0 0 66 -2,-0.3 3,-1.0 1,-0.1 4,-0.8 -0.182 29.2-104.6 -66.4 164.6 -18.5 45.2 52.6 471 229 B G G >4 S+ 0 0 57 1,-0.2 3,-0.9 2,-0.2 4,-0.5 0.860 112.6 69.2 -50.8 -41.4 -20.1 42.1 54.1 472 230 B I G 34 S+ 0 0 131 1,-0.3 -1,-0.2 2,-0.1 3,-0.1 0.696 106.0 38.1 -63.3 -23.4 -23.2 42.3 51.9 473 231 B V G X4 S+ 0 0 28 -3,-1.0 3,-1.5 1,-0.1 -1,-0.3 0.565 88.6 93.3 -99.8 -14.0 -21.2 41.5 48.6 474 232 B H G X< S+ 0 0 65 -3,-0.9 3,-1.5 -4,-0.8 -2,-0.1 0.772 71.5 75.9 -46.6 -37.9 -18.9 38.8 50.2 475 233 B M G 3 S+ 0 0 156 -4,-0.5 -1,-0.3 1,-0.2 -2,-0.1 0.839 96.7 42.7 -33.5 -53.5 -21.4 36.1 49.1 476 234 B Q G < S+ 0 0 78 -3,-1.5 2,-0.5 -16,-0.0 26,-0.4 -0.054 76.5 128.5-104.4 27.9 -20.4 36.2 45.4 477 235 B A < - 0 0 18 -3,-1.5 -17,-0.3 25,-0.1 3,-0.1 -0.747 56.4-127.5 -87.3 129.1 -16.6 36.4 45.5 478 236 B A B -n 460 0D 0 -19,-3.0 -17,-2.9 -2,-0.5 2,-0.3 -0.354 31.5 -90.5 -71.4 155.8 -15.0 33.7 43.3 479 237 B P > - 0 0 53 0, 0.0 4,-2.1 0, 0.0 -1,-0.1 -0.531 26.0-145.8 -72.7 131.3 -12.4 31.3 44.6 480 238 B K H > S+ 0 0 49 -2,-0.3 4,-1.9 1,-0.2 5,-0.1 0.692 95.0 59.5 -67.5 -24.2 -8.8 32.6 44.2 481 239 B E H > S+ 0 0 75 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.948 111.0 39.3 -71.7 -48.2 -7.4 29.1 43.6 482 240 B E H > S+ 0 0 110 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.884 114.2 56.6 -67.3 -40.4 -9.5 28.4 40.6 483 241 B C H X S+ 0 0 0 -4,-2.1 4,-1.7 1,-0.2 -2,-0.2 0.894 106.8 49.4 -56.5 -41.8 -9.0 32.1 39.5 484 242 B A H X S+ 0 0 0 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.924 110.4 49.1 -67.1 -42.0 -5.2 31.6 39.5 485 243 B L H X S+ 0 0 44 -4,-1.8 4,-2.6 1,-0.2 -2,-0.2 0.900 108.5 53.9 -67.9 -38.9 -5.4 28.3 37.5 486 244 B E H X S+ 0 0 54 -4,-2.4 4,-2.8 2,-0.2 -1,-0.2 0.921 106.0 52.7 -59.1 -42.3 -7.6 30.0 34.9 487 245 B I H X S+ 0 0 1 -4,-1.7 4,-2.1 1,-0.2 5,-0.3 0.986 112.2 45.4 -56.9 -56.2 -5.1 32.9 34.4 488 246 B I H X S+ 0 0 0 -4,-2.0 4,-2.6 1,-0.2 -1,-0.2 0.886 112.4 52.0 -51.4 -45.9 -2.3 30.3 33.8 489 247 B K H X S+ 0 0 62 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.936 107.0 52.2 -60.5 -50.2 -4.5 28.3 31.4 490 248 B G H <>S+ 0 0 1 -4,-2.8 5,-2.1 1,-0.2 -1,-0.2 0.929 114.7 41.1 -52.1 -51.2 -5.5 31.3 29.3 491 249 B G H ><5S+ 0 0 0 -4,-2.1 3,-0.8 2,-0.2 -1,-0.2 0.847 111.3 55.9 -68.5 -34.8 -1.9 32.3 28.7 492 250 B A H 3<5S+ 0 0 27 -4,-2.6 -1,-0.2 -5,-0.3 -2,-0.2 0.936 113.6 42.5 -59.8 -43.0 -0.7 28.8 28.2 493 251 B L T 3<5S- 0 0 49 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.367 111.5-122.9 -87.9 5.0 -3.3 28.5 25.4 494 252 B R T < 5 + 0 0 99 -3,-0.8 -42,-0.2 -4,-0.2 -3,-0.2 0.741 48.1 169.5 62.5 25.2 -2.5 32.0 24.0 495 253 B Q < - 0 0 88 -5,-2.1 -1,-0.2 -6,-0.2 3,-0.1 -0.401 36.9-136.5 -67.9 141.5 -6.1 33.2 24.4 496 254 B E S S+ 0 0 93 1,-0.2 -42,-2.5 -43,-0.2 2,-0.3 0.884 84.5 12.9 -72.8 -38.3 -6.5 37.0 23.9 497 255 B E E -m 454 0C 40 -44,-0.2 2,-0.4 -7,-0.1 -42,-0.2 -0.957 60.6-159.3-136.8 155.8 -8.8 37.4 26.8 498 256 B V E -m 455 0C 7 -44,-2.0 -42,-3.2 -2,-0.3 2,-0.4 -0.999 11.4-159.5-132.5 129.4 -9.8 35.3 29.9 499 257 B Y E +m 456 0C 49 -2,-0.4 2,-0.3 -44,-0.2 -42,-0.2 -0.914 13.0 174.8-110.7 137.8 -13.0 36.1 31.8 500 258 B Y E +m 457 0C 23 -44,-2.1 -42,-3.2 -2,-0.4 2,-0.3 -0.888 14.6 134.3-151.2 120.8 -13.6 34.9 35.3 501 259 B D - 0 0 34 -2,-0.3 6,-0.1 -44,-0.2 -24,-0.1 -0.982 57.4-117.6-161.0 147.3 -16.5 35.6 37.6 502 260 B S S S+ 0 0 67 -26,-0.4 2,-0.6 -43,-0.3 -25,-0.1 0.764 100.9 69.4 -73.5 -18.6 -18.7 33.6 39.9 503 261 B S > - 0 0 36 -27,-0.1 4,-1.1 1,-0.1 3,-0.3 -0.880 65.1-160.3 -93.9 120.3 -21.8 34.5 37.8 504 262 B R H > S+ 0 0 179 -2,-0.6 4,-2.1 1,-0.2 -1,-0.1 0.748 93.2 65.1 -63.9 -21.8 -21.9 33.0 34.3 505 263 B W H > S+ 0 0 195 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.923 99.2 49.6 -66.9 -42.8 -24.4 35.8 33.5 506 264 B T H > S+ 0 0 34 -3,-0.3 4,-0.5 1,-0.2 -1,-0.2 0.879 109.4 53.6 -62.3 -33.7 -21.7 38.5 33.9 507 265 B T H >X S+ 0 0 32 -4,-1.1 3,-1.3 1,-0.2 4,-0.9 0.934 104.2 53.7 -68.0 -48.4 -19.4 36.4 31.6 508 266 B L H 3< S+ 0 0 107 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.850 112.3 46.6 -50.4 -38.4 -22.0 36.3 28.8 509 267 B L H 3< S+ 0 0 43 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.548 96.3 72.7 -86.4 -7.6 -22.3 40.1 29.0 510 268 B I H << S+ 0 0 12 -3,-1.3 -1,-0.2 -4,-0.5 -2,-0.2 0.895 73.6 92.6 -81.8 -39.6 -18.6 40.9 29.0 511 269 B R < - 0 0 142 -4,-0.9 -264,-0.1 -3,-0.2 -263,-0.0 -0.180 59.6-157.8 -49.6 143.6 -17.8 40.1 25.4 512 270 B N > + 0 0 36 1,-0.1 4,-1.4 -265,-0.1 3,-0.4 -0.797 16.1 174.5-132.2 85.5 -18.0 43.0 22.9 513 271 B P H > S+ 0 0 87 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.878 77.4 64.1 -64.3 -36.9 -18.5 41.7 19.4 514 272 B S H > S+ 0 0 23 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.901 102.1 49.3 -50.0 -46.4 -19.0 45.2 18.0 515 273 B R H > S+ 0 0 23 -3,-0.4 4,-2.3 2,-0.2 -1,-0.2 0.923 107.8 54.1 -64.8 -40.1 -15.4 46.1 19.0 516 274 B K H X S+ 0 0 68 -4,-1.4 4,-1.8 1,-0.2 5,-0.2 0.937 110.4 47.8 -55.0 -47.8 -14.0 42.9 17.3 517 275 B I H >X S+ 0 0 78 -4,-2.2 4,-2.8 1,-0.2 3,-0.7 0.960 110.2 49.0 -59.8 -56.2 -15.7 43.8 14.1 518 276 B L H 3X S+ 0 0 4 -4,-2.4 4,-0.7 1,-0.3 -1,-0.2 0.861 112.3 51.7 -51.5 -39.9 -14.5 47.5 14.1 519 277 B E H 3X S+ 0 0 4 -4,-2.3 4,-2.2 1,-0.2 -1,-0.3 0.849 115.0 39.8 -64.4 -37.7 -11.0 46.1 14.7 520 278 B E H < S+ 0 0 73 -4,-0.7 3,-2.2 -5,-0.3 -2,-0.2 0.896 117.4 52.3 -89.0 -60.2 -9.6 48.0 9.7 523 281 B S H 3< S+ 0 0 71 -4,-2.2 -2,-0.2 1,-0.3 -3,-0.2 0.722 102.2 59.4 -45.7 -34.6 -7.1 45.0 10.0 524 282 B T T 3< 0 0 114 -4,-2.6 -1,-0.3 -5,-0.1 -3,-0.1 0.468 360.0 360.0 -86.8 4.5 -8.5 43.1 6.9 525 283 B S < 0 0 102 -3,-2.2 -319,-0.1 -5,-0.1 -3,-0.0 -0.720 360.0 360.0 -80.6 360.0 -7.7 46.0 4.6