==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 08-JAN-09 3FRJ . COMPND 2 MOLECULE: CORTICOSTEROID 11-BETA-DEHYDROGENASE, ISOZYME 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR Z.WANG,A.SUDOM,N.P.WALKER . 527 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22724.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 404 76.7 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 . 1 0.2 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 . 37 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 46 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 218 41.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 17 3.2 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 1 3 2 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 21 A Q 0 0 179 0, 0.0 3,-0.1 0, 0.0 188,-0.0 0.000 360.0 360.0 360.0 -49.6 76.2 12.0 42.6 2 22 A P - 0 0 75 0, 0.0 2,-0.5 0, 0.0 229,-0.2 -0.100 360.0 -88.1 -66.2 174.2 77.6 9.9 45.5 3 23 A L - 0 0 56 227,-2.3 227,-0.0 2,-0.1 229,-0.0 -0.801 25.4-138.7 -88.6 128.0 81.2 9.1 46.0 4 24 A N S S+ 0 0 160 -2,-0.5 -1,-0.1 -3,-0.1 226,-0.0 0.852 79.1 74.7 -38.7 -49.4 82.5 6.0 44.3 5 25 A E S S- 0 0 79 1,-0.1 2,-0.2 -3,-0.0 -2,-0.1 -0.050 83.9-105.9 -76.6 166.5 84.5 5.0 47.3 6 26 A E - 0 0 167 1,-0.1 -1,-0.1 0, 0.0 2,-0.1 -0.513 54.1 -82.6 -78.9 160.4 83.9 3.5 50.8 7 27 A F - 0 0 33 -2,-0.2 -1,-0.1 3,-0.0 219,-0.1 -0.423 45.2-177.3 -72.7 140.5 84.1 5.7 53.8 8 28 A R > - 0 0 109 -2,-0.1 3,-2.9 218,-0.1 4,-0.3 -0.992 32.9-130.1-134.5 132.2 87.5 6.4 55.3 9 29 A P G >> S+ 0 0 67 0, 0.0 3,-1.4 0, 0.0 4,-0.6 0.742 105.6 69.7 -50.4 -27.4 88.0 8.6 58.5 10 30 A E G 34 S+ 0 0 108 1,-0.3 3,-0.2 2,-0.2 -3,-0.0 0.682 77.7 78.1 -66.9 -22.9 90.6 10.5 56.6 11 31 A M G <4 S+ 0 0 23 -3,-2.9 -1,-0.3 1,-0.2 -4,-0.0 0.810 101.3 40.8 -52.1 -31.5 87.9 12.1 54.3 12 32 A L T X4 S+ 0 0 4 -3,-1.4 3,-3.1 -4,-0.3 28,-0.3 0.670 83.4 115.3 -94.9 -22.0 87.2 14.4 57.3 13 33 A Q T 3< S+ 0 0 136 -4,-0.6 26,-0.3 1,-0.3 25,-0.2 -0.237 93.8 6.8 -49.9 123.6 90.7 15.2 58.5 14 34 A G T 3 S+ 0 0 37 24,-2.4 -1,-0.3 1,-0.3 25,-0.2 0.405 100.4 140.5 80.7 -8.3 91.3 18.9 58.0 15 35 A K < - 0 0 83 -3,-3.1 25,-3.1 19,-0.1 2,-0.8 -0.395 52.5-130.6 -73.7 145.8 87.6 19.3 57.0 16 36 A K E +a 40 0A 56 23,-0.2 78,-3.6 -3,-0.1 79,-2.0 -0.833 36.7 172.8-101.8 102.2 85.7 22.4 58.1 17 37 A V E -ab 41 95A 0 23,-2.5 25,-2.0 -2,-0.8 2,-0.4 -0.908 25.5-156.5-118.4 126.3 82.4 21.4 59.6 18 38 A I E -ab 42 96A 0 77,-2.5 79,-2.4 -2,-0.4 2,-0.4 -0.804 12.4-169.2 -86.9 138.7 79.5 23.1 61.5 19 39 A V E -ab 43 97A 0 23,-1.9 25,-1.3 -2,-0.4 3,-0.4 -0.972 4.3-162.3-126.7 117.9 77.3 21.0 63.8 20 40 A T S S+ 0 0 0 77,-2.1 25,-0.2 -2,-0.4 23,-0.0 -0.542 75.5 31.7 -90.2 161.4 74.1 22.5 65.2 21 41 A G S S+ 0 0 16 -2,-0.2 6,-0.4 78,-0.1 3,-0.3 0.892 80.2 142.8 59.8 37.6 72.3 21.0 68.2 22 42 A A + 0 0 0 22,-2.9 23,-0.2 -3,-0.4 -1,-0.1 0.422 41.8 80.1-100.2 7.5 75.8 19.9 69.5 23 43 A S S S+ 0 0 8 21,-0.4 2,-0.2 1,-0.1 -1,-0.2 0.879 103.9 15.2 -71.2 -32.3 75.4 20.5 73.3 24 44 A K S >> S- 0 0 93 -3,-0.3 4,-1.3 4,-0.0 3,-0.6 -0.802 106.6 -8.7-142.0 159.7 73.5 17.2 73.8 25 45 A G H >> S- 0 0 17 -2,-0.2 4,-2.2 1,-0.2 3,-0.6 0.069 116.1 -2.1 56.1-141.9 72.6 13.8 72.1 26 46 A I H 3> S+ 0 0 24 1,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.854 131.5 55.1 -57.0 -41.4 73.4 12.9 68.5 27 47 A G H <> S+ 0 0 0 -3,-0.6 4,-2.0 -6,-0.4 -1,-0.3 0.903 107.8 49.8 -64.1 -36.8 74.9 16.3 67.7 28 48 A R H X S+ 0 0 35 -4,-2.5 4,-3.0 2,-0.2 3,-0.8 0.980 111.3 46.3 -58.0 -62.0 83.1 13.8 69.0 33 53 A H H 3X S+ 0 0 23 -4,-2.6 4,-0.6 1,-0.3 -1,-0.2 0.860 113.0 51.8 -49.2 -43.9 83.5 11.5 65.9 34 54 A L H 3<>S+ 0 0 0 -4,-2.6 5,-2.6 -5,-0.2 3,-0.3 0.850 111.2 46.6 -64.6 -36.9 84.5 14.6 63.9 35 55 A A H X<5S+ 0 0 0 -4,-2.0 3,-2.6 -3,-0.8 -2,-0.2 0.934 107.1 56.3 -66.0 -50.3 87.2 15.5 66.4 36 56 A K H 3<5S+ 0 0 117 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.589 110.0 49.2 -57.8 -11.7 88.4 11.9 66.6 37 57 A M T 3<5S- 0 0 24 -4,-0.6 -1,-0.3 -3,-0.3 -2,-0.2 0.284 120.3-109.0-106.6 2.0 88.9 12.2 62.8 38 58 A G T < 5 + 0 0 17 -3,-2.6 -24,-2.4 1,-0.2 -3,-0.2 0.701 63.0 152.7 77.8 23.6 90.8 15.6 63.0 39 59 A A < - 0 0 0 -5,-2.6 25,-1.4 -26,-0.3 26,-0.9 -0.413 50.7-115.1 -73.8 157.0 88.2 17.9 61.5 40 60 A H E -ac 16 65A 50 -25,-3.1 -23,-2.5 -28,-0.3 2,-0.4 -0.797 43.0-167.4 -82.1 139.5 87.9 21.5 62.3 41 61 A V E -ac 17 66A 1 24,-1.1 26,-1.4 -2,-0.4 2,-0.5 -0.996 25.9-173.1-138.2 128.1 84.5 21.9 64.2 42 62 A V E -ac 18 67A 0 -25,-2.0 -23,-1.9 -2,-0.4 2,-0.2 -0.998 23.6-168.7-114.8 122.8 82.4 24.9 65.1 43 63 A V E -ac 19 68A 0 24,-2.8 26,-1.5 -2,-0.5 2,-0.3 -0.695 5.0-171.1-111.5 158.7 79.5 23.7 67.4 44 64 A T E + c 0 69A 1 -25,-1.3 -22,-2.9 -2,-0.2 -21,-0.4 -0.982 21.7 125.7-151.7 160.1 76.3 25.5 68.5 45 65 A A E - c 0 70A 13 24,-0.6 26,-2.2 -2,-0.3 24,-0.1 -0.896 64.4 -91.5 169.1 179.3 73.4 25.2 70.8 46 66 A R S S+ 0 0 151 -2,-0.2 2,-1.3 24,-0.2 26,-0.1 0.849 97.6 90.8 -84.7 -33.3 71.8 27.3 73.6 47 67 A S > - 0 0 33 1,-0.2 4,-2.8 24,-0.1 5,-0.2 -0.478 51.5-179.9 -69.4 85.7 73.8 25.7 76.6 48 68 A K H > S+ 0 0 127 -2,-1.3 4,-2.3 1,-0.2 -1,-0.2 0.925 80.1 44.0 -51.4 -55.2 77.0 27.9 76.8 49 69 A E H > S+ 0 0 149 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.927 115.1 47.7 -62.5 -49.4 78.6 26.0 79.8 50 70 A T H > S+ 0 0 53 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.896 108.9 54.5 -64.6 -31.9 77.8 22.6 78.3 51 71 A L H X S+ 0 0 0 -4,-2.8 4,-3.2 2,-0.2 3,-0.3 0.925 103.9 57.1 -58.7 -48.2 79.2 23.7 74.9 52 72 A Q H X S+ 0 0 96 -4,-2.3 4,-1.6 1,-0.2 -2,-0.2 0.942 107.4 47.2 -43.3 -56.8 82.5 24.7 76.7 53 73 A K H X S+ 0 0 168 -4,-1.8 4,-1.4 1,-0.2 -1,-0.2 0.817 113.2 50.1 -61.8 -26.1 82.8 21.1 78.0 54 74 A V H X S+ 0 0 2 -4,-1.2 4,-2.2 -3,-0.3 -2,-0.2 0.946 108.1 49.9 -76.5 -49.6 82.0 19.8 74.5 55 75 A V H X S+ 0 0 17 -4,-3.2 4,-1.6 1,-0.2 -2,-0.2 0.756 111.3 52.8 -59.1 -26.7 84.6 21.9 72.7 56 76 A S H X S+ 0 0 70 -4,-1.6 4,-2.1 -5,-0.3 -1,-0.2 0.850 107.2 48.0 -80.2 -38.1 87.2 20.8 75.3 57 77 A H H X S+ 0 0 74 -4,-1.4 4,-1.3 2,-0.2 -2,-0.2 0.859 108.2 58.2 -69.5 -30.5 86.6 17.1 74.9 58 78 A C H >X>S+ 0 0 1 -4,-2.2 5,-1.9 2,-0.2 4,-0.9 0.948 106.5 46.3 -58.9 -51.7 86.8 17.7 71.1 59 79 A L H ><5S+ 0 0 90 -4,-1.6 3,-1.1 1,-0.2 -2,-0.2 0.947 112.1 52.5 -54.5 -48.0 90.4 19.1 71.5 60 80 A E H 3<5S+ 0 0 161 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.761 108.1 52.3 -54.8 -31.0 91.3 16.2 73.8 61 81 A L H <<5S- 0 0 55 -4,-1.3 -1,-0.2 -3,-0.6 -2,-0.2 0.605 129.8 -87.6 -91.7 -12.2 90.1 13.8 71.1 62 82 A G T <<5 + 0 0 43 -3,-1.1 -3,-0.2 -4,-0.9 -2,-0.1 0.569 60.7 167.4 127.8 12.7 92.1 15.2 68.3 63 83 A A < - 0 0 15 -5,-1.9 -23,-0.2 1,-0.2 -1,-0.2 -0.219 42.3-134.8 -60.2 141.4 90.3 18.1 66.7 64 84 A A S S- 0 0 53 -25,-1.4 2,-0.3 1,-0.3 -24,-0.2 0.782 89.2 -35.7 -59.5 -20.3 92.4 20.2 64.3 65 85 A S E -c 40 0A 23 -26,-0.9 -24,-1.1 -7,-0.1 -1,-0.3 -0.912 62.3-152.1 169.0 166.8 90.5 22.8 66.3 66 86 A A E +c 41 0A 11 -2,-0.3 2,-0.3 -26,-0.2 -24,-0.2 -0.964 13.0 169.5-164.5 135.0 87.1 23.5 68.0 67 87 A H E -c 42 0A 75 -26,-1.4 -24,-2.8 -2,-0.3 2,-0.3 -0.953 15.2-153.6-143.0 157.0 84.9 26.5 68.9 68 88 A Y E -c 43 0A 72 -2,-0.3 2,-0.4 -26,-0.2 -24,-0.2 -0.928 2.3-165.3-128.5 155.1 81.3 26.9 70.1 69 89 A I E -c 44 0A 25 -26,-1.5 -24,-0.6 -2,-0.3 2,-0.3 -0.951 19.7-144.4-137.0 122.3 79.1 29.9 69.6 70 90 A A E +c 45 0A 18 -2,-0.4 2,-0.3 -26,-0.2 -24,-0.2 -0.676 39.8 113.0 -96.1 143.0 76.0 29.9 71.8 71 91 A G - 0 0 16 -26,-2.2 2,-0.5 -2,-0.3 -26,-0.1 -0.961 59.4 -87.0 177.4 173.3 72.6 31.2 70.8 72 92 A T > - 0 0 38 -2,-0.3 3,-2.2 1,-0.1 7,-0.2 -0.864 17.1-145.4-104.7 135.3 69.0 30.2 70.0 73 93 A M T 3 S+ 0 0 15 -2,-0.5 53,-0.1 1,-0.3 -1,-0.1 0.441 94.4 83.1 -78.0 4.7 67.9 29.1 66.5 74 94 A E T 3 S+ 0 0 93 1,-0.1 2,-0.8 52,-0.0 -1,-0.3 0.642 82.7 72.3 -64.2 -19.2 64.6 30.9 67.4 75 95 A D <> - 0 0 74 -3,-2.2 4,-2.3 1,-0.2 -1,-0.1 -0.853 65.0-169.3-112.2 109.2 66.5 33.9 66.3 76 96 A M H > S+ 0 0 29 -2,-0.8 4,-2.8 2,-0.2 -1,-0.2 0.804 89.3 57.7 -66.9 -33.1 67.1 34.1 62.5 77 97 A T H > S+ 0 0 74 1,-0.2 4,-2.5 2,-0.2 5,-0.3 0.949 109.7 45.8 -60.1 -45.9 69.6 37.0 62.9 78 98 A F H > S+ 0 0 26 2,-0.2 4,-3.1 -6,-0.2 -2,-0.2 0.912 110.4 51.8 -61.7 -48.2 71.6 34.8 65.1 79 99 A A H X S+ 0 0 0 -4,-2.3 4,-1.1 -7,-0.2 -2,-0.2 0.980 113.5 47.0 -48.8 -56.0 71.3 31.8 62.7 80 100 A E H >X S+ 0 0 118 -4,-2.8 4,-1.2 1,-0.2 3,-1.0 0.958 117.4 39.3 -51.2 -60.5 72.5 34.1 59.8 81 101 A Q H 3X S+ 0 0 103 -4,-2.5 4,-2.7 1,-0.3 5,-0.3 0.834 106.1 66.9 -65.2 -31.4 75.5 35.7 61.7 82 102 A F H 3X S+ 0 0 0 -4,-3.1 4,-2.7 -5,-0.3 -1,-0.3 0.867 101.1 48.8 -54.6 -34.3 76.5 32.4 63.4 83 103 A V H S+ 0 0 4 -4,-1.7 4,-2.2 -3,-0.4 5,-1.8 0.885 108.2 52.0 -82.0 -41.7 83.4 30.5 58.6 88 108 A K H <5S+ 0 0 186 -4,-2.4 3,-0.5 1,-0.2 -2,-0.2 0.968 108.9 54.5 -54.3 -50.2 85.8 33.4 59.6 89 109 A L H <5S+ 0 0 75 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.771 121.9 27.1 -56.8 -30.5 86.9 31.1 62.5 90 110 A M H <5S- 0 0 14 -4,-0.7 -1,-0.3 -3,-0.3 -2,-0.2 0.566 104.2-121.1-107.6 -11.2 87.7 28.2 60.1 91 111 A G T <5S- 0 0 57 -4,-2.2 -3,-0.2 -3,-0.5 2,-0.2 0.916 83.3 -7.1 62.8 49.4 88.5 30.2 57.0 92 112 A G S + 0 0 78 1,-0.2 4,-1.8 2,-0.1 3,-0.4 -0.527 15.1 160.6 -94.4 82.4 48.4 25.3 70.4 113 133 A I H > S+ 0 0 26 -2,-1.4 4,-3.2 1,-0.2 5,-0.2 0.815 73.5 63.0 -59.5 -35.2 49.3 27.3 67.2 114 134 A H H > S+ 0 0 143 -3,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.873 104.0 46.1 -65.3 -37.7 52.2 28.9 69.0 115 135 A H H > S+ 0 0 36 -3,-0.4 4,-2.6 2,-0.2 5,-0.2 0.933 111.4 51.6 -72.9 -43.2 53.9 25.7 69.4 116 136 A V H X S+ 0 0 0 -4,-1.8 4,-2.2 1,-0.2 -2,-0.2 0.976 113.1 46.9 -54.1 -49.9 53.2 24.7 65.7 117 137 A R H X S+ 0 0 59 -4,-3.2 4,-2.9 1,-0.2 -1,-0.2 0.932 112.2 49.0 -57.9 -43.0 54.7 28.0 64.6 118 138 A K H X S+ 0 0 89 -4,-2.1 4,-2.7 -5,-0.2 5,-0.4 0.871 107.8 52.8 -70.8 -38.3 57.7 27.7 66.8 119 139 A S H X S+ 0 0 0 -4,-2.6 4,-2.9 2,-0.2 5,-0.4 0.934 111.4 48.8 -57.3 -42.0 58.4 24.1 65.7 120 140 A M H X>S+ 0 0 0 -4,-2.2 5,-2.8 -5,-0.2 4,-1.3 0.904 112.7 47.5 -63.3 -41.3 58.4 25.4 62.1 121 141 A E H <>S+ 0 0 32 -4,-2.9 5,-2.1 3,-0.2 -2,-0.2 0.943 124.3 29.2 -67.1 -47.4 60.6 28.3 62.9 122 142 A V H <5S+ 0 0 8 -4,-2.7 -2,-0.2 -5,-0.2 -3,-0.2 0.858 125.8 40.8 -85.4 -41.9 63.2 26.3 64.8 123 143 A N H <5S+ 0 0 0 -4,-2.9 -3,-0.2 -5,-0.4 -1,-0.2 0.727 136.2 6.6 -76.6 -23.0 63.0 22.9 63.2 124 144 A F T >X5S+ 0 0 0 -4,-1.3 4,-1.5 -5,-0.4 3,-0.7 0.726 122.7 50.9-126.9 -63.1 62.6 24.1 59.6 125 145 A L H 3> S+ 0 0 0 -3,-0.7 4,-2.1 2,-0.2 -2,-0.2 0.922 109.7 45.8 -58.9 -40.5 67.7 25.3 58.5 128 148 A V H X S+ 0 0 0 -4,-1.5 4,-3.0 2,-0.2 5,-0.2 0.959 112.6 50.0 -71.1 -53.1 66.8 27.4 55.4 129 149 A V H X S+ 0 0 11 -4,-2.6 4,-1.8 1,-0.2 -2,-0.2 0.931 113.8 46.2 -45.8 -51.0 68.4 30.6 57.0 130 150 A L H X S+ 0 0 0 -4,-3.0 4,-2.1 2,-0.2 -1,-0.2 0.896 111.8 51.1 -62.9 -41.4 71.5 28.7 57.8 131 151 A T H X S+ 0 0 2 -4,-2.1 4,-1.3 -5,-0.2 -2,-0.2 0.942 108.8 50.3 -62.4 -46.5 71.7 27.1 54.4 132 152 A V H < S+ 0 0 33 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.846 113.7 47.2 -55.1 -34.1 71.3 30.5 52.7 133 153 A A H < S+ 0 0 29 -4,-1.8 4,-0.3 -5,-0.2 -1,-0.2 0.814 115.4 44.1 -82.6 -31.2 74.2 31.9 54.8 134 154 A A H X S+ 0 0 0 -4,-2.1 4,-2.1 -5,-0.2 5,-0.2 0.555 89.6 87.3 -85.7 -14.3 76.5 28.9 54.3 135 155 A L H X S+ 0 0 12 -4,-1.3 4,-2.8 1,-0.2 5,-0.3 0.901 81.4 56.5 -64.3 -45.2 76.0 28.4 50.5 136 156 A P H > S+ 0 0 91 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.932 114.5 40.4 -52.0 -44.1 78.7 30.9 49.1 137 157 A M H > S+ 0 0 41 -4,-0.3 4,-0.7 1,-0.2 -44,-0.4 0.840 114.6 51.3 -71.2 -36.2 81.3 29.1 51.1 138 158 A L H X>S+ 0 0 0 -4,-2.1 5,-3.2 2,-0.2 4,-0.9 0.804 108.2 52.5 -70.9 -30.2 80.0 25.6 50.4 139 159 A K H ><5S+ 0 0 89 -4,-2.8 3,-0.8 3,-0.2 -2,-0.2 0.936 106.3 55.3 -65.9 -43.6 79.9 26.4 46.6 140 160 A Q H 3<5S+ 0 0 176 -4,-1.7 -1,-0.2 -5,-0.3 -2,-0.2 0.696 118.4 33.0 -64.0 -19.8 83.6 27.5 47.0 141 161 A S H 3<5S- 0 0 41 -4,-0.7 -1,-0.3 -48,-0.2 -2,-0.2 0.455 105.2-117.5-112.7 -1.3 84.5 24.1 48.4 142 162 A N T <<5 + 0 0 93 -4,-0.9 -3,-0.2 -3,-0.8 47,-0.2 0.940 63.1 173.7 60.1 46.0 82.0 21.8 46.6 143 163 A G < - 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0 0 73 -2,-1.1 2,-0.6 -6,-0.1 -4,-0.1 -0.993 57.5-112.9-152.5 156.5 53.4 19.2 30.5 479 234 B Q - 0 0 140 -2,-0.3 26,-0.3 -15,-0.0 -17,-0.2 -0.851 29.4-144.7-100.9 122.1 49.8 18.2 30.2 480 235 B A - 0 0 27 -2,-0.6 -17,-0.3 24,-0.1 -18,-0.1 -0.447 8.8-133.7 -80.1 145.8 47.2 19.9 32.5 481 236 B A B -n 463 0D 1 -19,-2.4 -17,-3.0 -2,-0.2 2,-0.3 -0.650 36.5 -89.3 -99.1 156.2 44.1 18.2 33.9 482 237 B P > - 0 0 55 0, 0.0 4,-2.2 0, 0.0 3,-0.2 -0.520 27.1-143.8 -68.3 132.6 40.7 19.7 33.8 483 238 B K H > S+ 0 0 42 -2,-0.3 4,-2.1 1,-0.2 5,-0.1 0.783 93.9 53.5 -66.0 -33.7 39.9 21.9 36.7 484 239 B E H > S+ 0 0 74 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.872 110.7 43.9 -73.2 -41.8 36.1 21.0 37.0 485 240 B E H > S+ 0 0 106 2,-0.2 4,-2.3 -3,-0.2 5,-0.2 0.900 113.1 54.8 -65.0 -40.9 36.6 17.3 37.1 486 241 B C H X S+ 0 0 0 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.933 107.5 50.4 -48.8 -52.3 39.5 17.9 39.6 487 242 B A H X S+ 0 0 0 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.839 110.7 47.4 -60.7 -43.4 37.1 19.9 41.8 488 243 B L H X S+ 0 0 44 -4,-1.7 4,-2.7 2,-0.2 -1,-0.2 0.883 109.3 53.7 -64.8 -44.6 34.4 17.2 41.9 489 244 B E H X S+ 0 0 57 -4,-2.3 4,-2.4 2,-0.2 5,-0.2 0.906 109.2 51.0 -56.2 -39.8 37.0 14.5 42.7 490 245 B I H X S+ 0 0 1 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.964 111.4 45.6 -61.5 -50.3 38.1 16.6 45.6 491 246 B I H X S+ 0 0 0 -4,-1.8 4,-2.8 1,-0.2 -2,-0.2 0.858 113.2 51.7 -63.3 -36.3 34.5 17.0 46.9 492 247 B K H X S+ 0 0 55 -4,-2.7 4,-2.2 2,-0.2 -1,-0.2 0.881 107.4 49.3 -67.6 -48.1 33.9 13.3 46.4 493 248 B G H <>S+ 0 0 2 -4,-2.4 5,-2.5 -5,-0.2 -2,-0.2 0.942 114.4 48.8 -55.0 -50.4 36.9 12.1 48.3 494 249 B G H ><5S+ 0 0 0 -4,-2.3 3,-1.9 -5,-0.2 -2,-0.2 0.940 111.7 46.8 -46.9 -56.6 35.8 14.5 51.1 495 250 B A H 3<5S+ 0 0 14 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.847 113.6 47.8 -62.9 -36.9 32.2 13.3 51.1 496 251 B L T 3<5S- 0 0 18 -4,-2.2 -228,-1.7 -5,-0.2 -1,-0.3 0.298 111.4-122.9 -88.7 6.0 33.2 9.7 51.1 497 252 B R T < 5 + 0 0 28 -3,-1.9 -3,-0.2 -230,-0.2 -42,-0.2 0.793 48.4 169.4 60.9 35.2 35.7 10.3 54.0 498 253 B Q < - 0 0 66 -5,-2.5 -1,-0.2 -6,-0.2 3,-0.1 -0.461 37.8-135.0 -73.4 152.5 38.7 9.0 52.1 499 254 B E S S+ 0 0 54 1,-0.2 -42,-2.8 -43,-0.2 2,-0.3 0.895 84.3 10.4 -74.6 -42.1 42.2 9.6 53.4 500 255 B E E -m 457 0C 35 -44,-0.2 2,-0.4 -7,-0.0 -1,-0.2 -0.995 59.0-161.7-142.3 141.4 43.8 10.7 50.2 501 256 B V E -m 458 0C 7 -44,-2.0 -42,-3.8 -2,-0.3 2,-0.4 -0.978 11.5-159.8-123.5 132.2 42.5 11.6 46.7 502 257 B Y E +m 459 0C 32 -2,-0.4 2,-0.4 -44,-0.2 -42,-0.2 -0.960 12.8 174.6-114.0 132.0 44.9 11.6 43.8 503 258 B Y E +m 460 0C 25 -44,-2.2 -42,-3.3 -2,-0.4 2,-0.3 -0.905 17.0 132.3-145.0 115.2 44.2 13.5 40.6 504 259 B D - 0 0 23 -2,-0.4 6,-0.1 -44,-0.2 -24,-0.1 -0.979 56.8-120.6-155.2 155.3 46.6 13.8 37.6 505 260 B S S S+ 0 0 37 -26,-0.3 2,-0.4 -43,-0.3 -25,-0.1 0.768 91.3 81.2 -72.5 -18.6 46.3 13.4 33.8 506 261 B S > - 0 0 32 -27,-0.1 4,-1.6 1,-0.1 3,-0.2 -0.683 63.7-155.7-100.3 137.7 49.0 10.7 33.8 507 262 B L H > S+ 0 0 127 -2,-0.4 4,-1.9 1,-0.2 5,-0.2 0.793 94.6 65.3 -84.0 -23.8 48.4 7.0 34.7 508 263 B W H > S+ 0 0 152 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.895 106.2 48.7 -47.2 -45.5 52.1 6.5 35.7 509 264 B T H > S+ 0 0 2 -3,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.956 108.7 47.8 -67.4 -51.8 51.2 8.9 38.4 510 265 B T H < S+ 0 0 53 -4,-1.6 4,-0.4 1,-0.2 -1,-0.2 0.834 118.2 42.9 -66.4 -25.8 48.1 7.4 39.6 511 266 B L H < S+ 0 0 144 -4,-1.9 -1,-0.2 1,-0.1 -2,-0.2 0.811 122.8 35.1 -83.2 -35.0 49.8 3.9 39.7 512 267 B L H < S+ 0 0 45 -4,-2.1 -2,-0.2 -5,-0.2 -3,-0.2 0.615 98.9 77.6 -98.6 -13.7 53.1 4.9 41.3 513 268 B I S < S+ 0 0 12 -4,-2.4 -3,-0.1 -5,-0.2 -1,-0.1 0.876 72.0 86.5 -72.9 -42.5 52.1 7.8 43.7 514 269 B R - 0 0 141 -4,-0.4 -263,-0.1 -5,-0.2 -12,-0.0 -0.204 68.6-145.6 -57.7 149.2 50.6 5.7 46.6 515 270 B N >> + 0 0 42 1,-0.1 4,-1.7 -264,-0.1 3,-0.7 -0.782 20.7 176.3-125.3 88.1 53.2 4.5 49.2 516 271 B P H 3> S+ 0 0 85 0, 0.0 4,-1.7 0, 0.0 5,-0.2 0.831 80.7 60.3 -65.6 -28.5 52.3 1.1 50.6 517 272 B S H 3> S+ 0 0 29 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.838 102.4 50.6 -63.0 -41.0 55.5 1.0 52.6 518 273 B R H <> S+ 0 0 17 -3,-0.7 4,-2.7 2,-0.2 -1,-0.2 0.926 108.7 52.9 -62.8 -46.5 54.5 4.1 54.5 519 274 B K H X S+ 0 0 93 -4,-1.7 4,-1.7 1,-0.2 -2,-0.2 0.851 110.5 47.8 -56.9 -36.5 51.2 2.4 55.2 520 275 B I H X S+ 0 0 80 -4,-1.7 4,-1.9 2,-0.2 -1,-0.2 0.866 110.1 50.6 -70.5 -42.1 52.9 -0.6 56.6 521 276 B L H X S+ 0 0 7 -4,-2.3 4,-1.2 1,-0.2 -2,-0.2 0.919 112.6 48.4 -64.8 -35.5 55.3 1.4 58.8 522 277 B E H X S+ 0 0 6 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.889 110.8 49.9 -66.9 -37.0 52.2 3.3 60.1 523 278 B F H X S+ 0 0 131 -4,-1.7 4,-1.6 1,-0.2 -2,-0.2 0.852 106.0 56.8 -71.6 -32.9 50.3 0.0 60.8 524 279 B L H < S+ 0 0 79 -4,-1.9 -1,-0.2 2,-0.2 -2,-0.2 0.824 114.1 38.5 -69.8 -35.7 53.3 -1.5 62.7 525 280 B Y H >< S+ 0 0 70 -4,-1.2 3,-2.6 -5,-0.2 -2,-0.2 0.951 111.2 58.1 -77.1 -55.9 53.4 1.3 65.1 526 281 B S H 3< S+ 0 0 74 -4,-2.7 3,-0.2 1,-0.3 -2,-0.2 0.760 106.9 50.4 -39.3 -36.2 49.6 1.7 65.3 527 282 B T T 3< S+ 0 0 90 -4,-1.6 -1,-0.3 1,-0.2 2,-0.1 0.261 104.0 57.4 -98.1 10.4 49.2 -1.9 66.6 528 283 B S < 0 0 79 -3,-2.6 -1,-0.2 1,-0.2 -2,-0.0 -0.604 360.0 360.0-138.5 74.9 51.9 -1.9 69.3 529 284 B Y 0 0 242 -3,-0.2 -1,-0.2 -2,-0.1 -2,-0.1 0.878 360.0 360.0 61.1 360.0 50.7 0.9 71.7