==== 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 21-NOV-08 3FCO . COMPND 2 MOLECULE: CORTICOSTEROID 11-BETA-DEHYDROGENASE ISOZYME 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR Z.WANG,A.SUDOM,N.P.WALKER . 533 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23348.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 406 76.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 67 12.6 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 . 38 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 55 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 212 39.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 19 3.6 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 1 0 2 1 0 0 0 5 1 2 2 2 0 2 0 0 0 0 1 1 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 2 5 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 . 1 0 0 1 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 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 0 205 0, 0.0 231,-0.1 0, 0.0 188,-0.0 0.000 360.0 360.0 360.0 131.8 39.5 57.8 10.2 2 22 A P - 0 0 67 0, 0.0 229,-0.2 0, 0.0 2,-0.1 -0.122 360.0 -94.0 -70.6 158.5 41.6 59.3 7.3 3 23 A L - 0 0 76 227,-1.4 227,-0.0 226,-0.1 226,-0.0 -0.433 39.2-129.8 -65.6 152.1 43.3 62.6 6.5 4 24 A N S S+ 0 0 159 -2,-0.1 2,-0.3 2,-0.0 -1,-0.1 -0.040 72.9 72.0-109.5 34.9 41.0 64.8 4.5 5 25 A E S S- 0 0 83 225,-0.0 3,-0.1 1,-0.0 -2,-0.1 -0.863 85.6 -91.5-142.6 159.7 43.1 65.9 1.5 6 26 A E - 0 0 179 -2,-0.3 2,-0.1 1,-0.1 -2,-0.0 -0.372 60.8 -83.3 -74.4 166.9 44.4 64.4 -1.6 7 27 A F - 0 0 37 -2,-0.1 -1,-0.1 3,-0.0 219,-0.1 -0.328 40.5-168.2 -76.0 149.2 47.9 62.9 -1.3 8 28 A R > - 0 0 116 1,-0.1 3,-1.6 -3,-0.1 4,-0.3 -0.986 28.7-134.1-137.6 133.5 51.2 64.9 -1.6 9 29 A P G > S+ 0 0 66 0, 0.0 3,-1.7 0, 0.0 4,-0.4 0.809 104.7 70.3 -48.0 -29.5 54.7 63.5 -2.0 10 30 A E G > S+ 0 0 120 1,-0.3 3,-3.9 2,-0.2 -3,-0.0 0.903 78.1 76.1 -58.7 -42.7 55.6 66.1 0.7 11 31 A M G < S+ 0 0 27 -3,-1.6 -1,-0.3 1,-0.3 26,-0.0 0.652 99.1 45.3 -43.5 -21.4 53.7 64.2 3.4 12 32 A L G X S+ 0 0 2 -3,-1.7 3,-2.1 -4,-0.3 -1,-0.3 0.564 80.9 121.4-102.1 -10.9 56.6 61.7 3.5 13 33 A Q T < S+ 0 0 142 -3,-3.9 26,-0.3 -4,-0.4 25,-0.2 -0.325 90.0 1.2 -59.5 130.7 59.4 64.1 3.5 14 34 A G T 3 S+ 0 0 36 24,-4.1 -1,-0.3 1,-0.3 25,-0.2 0.282 98.7 137.1 78.5 -12.1 61.5 63.6 6.6 15 35 A K < - 0 0 88 -3,-2.1 25,-3.0 23,-0.1 2,-0.5 -0.303 51.8-133.0 -65.0 149.6 59.3 60.7 7.7 16 36 A K E +a 40 0A 47 23,-0.2 78,-3.5 -3,-0.1 79,-1.7 -0.935 31.9 178.3-111.9 128.0 61.1 57.7 9.0 17 37 A V E -ab 41 95A 0 23,-1.2 25,-2.3 -2,-0.5 2,-0.4 -0.979 25.6-148.5-138.0 134.6 59.9 54.4 7.6 18 38 A I E -ab 42 96A 0 77,-2.6 79,-1.9 -2,-0.4 2,-0.4 -0.835 16.2-173.8 -94.0 140.9 60.6 50.8 7.8 19 39 A V E -ab 43 97A 0 23,-2.3 25,-1.7 -2,-0.4 3,-0.4 -0.987 6.3-160.4-129.7 128.3 60.0 48.6 4.8 20 40 A T S S+ 0 0 1 77,-1.3 25,-0.2 -2,-0.4 23,-0.0 -0.594 74.7 25.6-103.4 169.4 60.3 44.8 4.9 21 41 A G S S+ 0 0 19 23,-0.4 6,-0.5 -2,-0.2 7,-0.3 0.923 83.4 142.9 42.6 50.2 60.8 42.4 2.0 22 42 A A + 0 0 0 22,-1.9 23,-0.1 -3,-0.4 -1,-0.1 0.229 35.3 87.7-107.3 15.8 62.3 45.4 0.3 23 43 A S S S- 0 0 17 21,-0.2 2,-0.2 31,-0.1 -1,-0.2 0.854 105.8 -6.4 -81.3 -34.3 65.2 43.8 -1.7 24 44 A K S > S+ 0 0 98 -3,-0.2 4,-3.0 4,-0.0 3,-0.3 -0.594 108.7 25.9-136.9-163.3 63.0 43.1 -4.7 25 45 A G H > S- 0 0 10 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.154 117.4 -16.4 45.6-149.9 59.4 43.3 -5.7 26 46 A I H > S+ 0 0 22 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.832 135.3 59.2 -60.7 -37.7 56.8 45.7 -4.3 27 47 A G H > S+ 0 0 0 -6,-0.5 4,-2.7 -3,-0.3 -5,-0.3 0.967 105.5 48.1 -51.7 -55.9 59.0 46.3 -1.3 28 48 A R H X S+ 0 0 68 -4,-3.0 4,-2.8 -7,-0.3 -2,-0.2 0.942 110.5 50.9 -53.3 -53.2 61.8 47.6 -3.5 29 49 A E H X S+ 0 0 21 -4,-2.1 4,-2.5 1,-0.2 -1,-0.3 0.896 108.8 53.1 -51.7 -39.4 59.4 49.9 -5.4 30 50 A M H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 5,-0.2 0.965 107.6 49.3 -68.0 -46.7 58.2 51.2 -2.1 31 51 A A H X S+ 0 0 0 -4,-2.7 4,-3.3 1,-0.2 5,-0.2 0.966 111.6 51.0 -47.8 -56.5 61.7 52.1 -0.9 32 52 A Y H X S+ 0 0 45 -4,-2.8 4,-2.6 1,-0.3 -1,-0.2 0.899 111.6 45.3 -50.3 -47.2 62.3 53.8 -4.3 33 53 A H H < S+ 0 0 30 -4,-2.5 4,-0.4 1,-0.2 -1,-0.3 0.896 112.8 51.7 -67.7 -37.2 59.1 55.9 -4.0 34 54 A L H >X>S+ 0 0 0 -4,-2.7 3,-1.5 -5,-0.2 5,-0.8 0.957 110.0 49.4 -65.4 -45.4 59.9 56.7 -0.4 35 55 A A H ><5S+ 0 0 0 -4,-3.3 3,-2.3 1,-0.3 -2,-0.2 0.954 104.0 56.9 -56.4 -51.9 63.3 57.9 -1.4 36 56 A K T 3<5S+ 0 0 166 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.689 108.5 52.5 -56.9 -8.0 62.1 60.1 -4.2 37 57 A M T <45S- 0 0 26 -3,-1.5 -1,-0.3 -4,-0.4 -2,-0.2 0.688 117.2-111.6-104.8 -17.7 60.1 61.7 -1.5 38 58 A G T <<5 + 0 0 14 -3,-2.3 -24,-4.1 -4,-0.8 2,-0.3 0.906 62.0 148.4 86.6 49.3 62.9 62.4 1.0 39 59 A A < - 0 0 0 -5,-0.8 25,-1.2 -26,-0.3 26,-0.9 -0.775 53.3-111.4-105.5 154.7 62.1 60.0 3.8 40 60 A H E -ac 16 65A 51 -25,-3.0 -23,-1.2 -2,-0.3 2,-0.4 -0.602 44.7-160.1 -78.7 153.4 64.5 58.3 6.0 41 61 A V E -ac 17 66A 0 24,-0.8 26,-2.2 -2,-0.2 2,-0.5 -0.982 27.3-177.1-147.5 123.6 64.4 54.6 5.1 42 62 A V E -ac 18 67A 0 -25,-2.3 -23,-2.3 -2,-0.4 2,-0.3 -0.987 18.1-175.6-120.1 125.5 65.4 51.3 6.7 43 63 A V E -ac 19 68A 1 24,-2.4 26,-1.0 -2,-0.5 2,-0.3 -0.858 0.5-172.5-115.9 151.2 64.8 48.3 4.5 44 64 A T E + c 0 69A 2 -25,-1.7 -22,-1.9 -2,-0.3 -23,-0.4 -0.977 19.9 135.9-144.2 153.8 65.3 44.7 5.5 45 65 A A E - c 0 70A 18 24,-0.6 26,-2.1 -2,-0.3 24,-0.1 -0.848 62.3 -89.5-165.4-167.7 65.3 41.2 3.9 46 66 A R S S+ 0 0 131 -2,-0.2 2,-0.6 24,-0.2 26,-0.1 0.871 102.1 75.5 -83.3 -38.5 67.6 38.2 4.2 47 67 A S > - 0 0 58 1,-0.2 4,-1.8 23,-0.1 5,-0.2 -0.636 58.2-166.2 -86.2 112.0 70.1 39.0 1.4 48 68 A K H > S+ 0 0 118 -2,-0.6 4,-2.4 1,-0.2 -1,-0.2 0.818 84.9 56.3 -67.7 -27.8 72.6 41.8 2.3 49 69 A E H > S+ 0 0 110 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.969 107.9 42.6 -69.5 -58.5 73.7 42.2 -1.3 50 70 A T H > S+ 0 0 58 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.917 113.8 55.0 -54.6 -44.1 70.4 42.9 -3.0 51 71 A L H X S+ 0 0 0 -4,-1.8 4,-2.8 1,-0.2 5,-0.3 0.978 104.9 52.5 -50.8 -60.6 69.5 45.2 -0.0 52 72 A Q H X S+ 0 0 83 -4,-2.4 4,-2.8 1,-0.2 5,-0.3 0.873 104.4 56.2 -43.7 -48.2 72.7 47.1 -0.6 53 73 A K H X S+ 0 0 132 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.983 112.9 43.0 -44.4 -62.3 71.7 47.6 -4.3 54 74 A V H X S+ 0 0 0 -4,-2.4 4,-3.1 1,-0.2 5,-0.3 0.890 111.9 49.8 -56.3 -50.4 68.5 49.2 -2.9 55 75 A V H X S+ 0 0 9 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.943 111.4 52.3 -51.9 -46.9 70.0 51.3 -0.2 56 76 A S H X S+ 0 0 47 -4,-2.8 4,-1.6 -5,-0.3 -2,-0.2 0.886 112.1 44.5 -59.9 -40.3 72.5 52.6 -2.8 57 77 A H H X S+ 0 0 61 -4,-2.2 4,-1.9 -5,-0.3 -1,-0.2 0.892 108.3 55.6 -74.0 -38.7 69.7 53.6 -5.2 58 78 A C H X>S+ 0 0 0 -4,-3.1 5,-2.4 1,-0.2 4,-0.8 0.899 107.5 52.8 -57.1 -39.4 67.4 55.2 -2.5 59 79 A L H ><5S+ 0 0 94 -4,-2.2 3,-1.2 -5,-0.3 -1,-0.2 0.957 108.8 47.9 -58.1 -48.6 70.4 57.4 -1.7 60 80 A E H 3<5S+ 0 0 148 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.818 107.9 56.4 -65.6 -25.8 70.7 58.4 -5.3 61 81 A L H 3<5S- 0 0 56 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.628 127.8 -95.6 -83.5 -12.7 67.0 59.1 -5.5 62 82 A G T <<5 + 0 0 42 -3,-1.2 -3,-0.2 -4,-0.8 -2,-0.1 0.775 57.1 172.8 106.9 33.6 67.3 61.5 -2.6 63 83 A A < - 0 0 15 -5,-2.4 -23,-0.2 -25,-0.2 3,-0.2 -0.314 40.7-129.6 -52.7 147.6 66.5 59.7 0.6 64 84 A A S S- 0 0 53 -25,-1.2 2,-0.3 1,-0.4 -24,-0.2 0.839 90.1 -28.7 -64.3 -33.3 67.1 61.7 3.7 65 85 A S E -c 40 0A 23 -26,-0.9 -24,-0.8 -7,-0.0 -1,-0.4 -0.949 65.2-159.8-173.7 168.8 69.0 58.5 4.6 66 86 A A E +c 41 0A 8 -2,-0.3 2,-0.3 -26,-0.2 -24,-0.2 -0.960 14.8 159.2-164.0 130.1 68.8 54.9 4.0 67 87 A H E -c 42 0A 75 -26,-2.2 -24,-2.4 -2,-0.3 2,-0.3 -0.896 18.6-147.0-146.6-180.0 70.1 51.7 5.6 68 88 A Y E -c 43 0A 74 -2,-0.3 2,-0.3 -26,-0.2 -24,-0.2 -0.943 4.2-165.5-147.5 162.0 69.4 48.0 5.7 69 89 A I E -c 44 0A 24 -26,-1.0 -24,-0.6 -2,-0.3 2,-0.4 -0.933 20.0-139.7-153.2 132.9 69.7 45.2 8.2 70 90 A A E +c 45 0A 41 -2,-0.3 2,-0.3 -26,-0.2 -24,-0.2 -0.768 40.6 106.2-107.6 140.6 69.6 41.5 7.3 71 91 A G - 0 0 19 -26,-2.1 2,-0.4 -2,-0.4 -2,-0.1 -0.938 59.7 -88.7 179.2 178.5 67.9 38.6 8.8 72 92 A T > - 0 0 41 -2,-0.3 3,-1.9 -26,-0.1 7,-0.3 -0.856 19.4-140.4-106.4 142.6 65.1 36.2 8.4 73 93 A M T 3 S+ 0 0 14 -2,-0.4 53,-0.1 1,-0.3 -1,-0.1 0.391 96.4 83.5 -87.0 6.7 61.6 36.9 9.8 74 94 A E T 3 S+ 0 0 80 1,-0.1 2,-0.8 52,-0.0 -1,-0.3 0.657 82.8 75.0 -67.8 -19.6 61.5 33.2 10.6 75 95 A D <> - 0 0 71 -3,-1.9 4,-2.6 1,-0.2 3,-0.2 -0.793 64.3-170.4-103.6 107.8 63.4 34.5 13.6 76 96 A M H > S+ 0 0 34 -2,-0.8 4,-2.8 1,-0.3 5,-0.2 0.907 88.7 55.3 -62.0 -37.4 61.3 36.3 16.2 77 97 A T H > S+ 0 0 77 1,-0.2 4,-2.4 2,-0.2 5,-0.3 0.914 109.8 47.2 -57.9 -41.0 64.4 37.5 18.1 78 98 A F H > S+ 0 0 26 -3,-0.2 4,-3.7 -6,-0.2 -2,-0.2 0.953 110.0 52.3 -69.3 -44.1 65.7 39.1 14.9 79 99 A A H X S+ 0 0 0 -4,-2.6 4,-1.3 -7,-0.3 -2,-0.2 0.921 111.9 46.2 -54.8 -50.0 62.3 40.7 14.1 80 100 A E H X S+ 0 0 111 -4,-2.8 4,-1.2 2,-0.2 3,-0.4 0.952 118.1 39.9 -58.6 -54.8 62.1 42.3 17.6 81 101 A Q H X S+ 0 0 106 -4,-2.4 4,-2.8 1,-0.2 5,-0.2 0.902 105.6 68.6 -65.5 -35.2 65.7 43.6 17.7 82 102 A F H X S+ 0 0 0 -4,-3.7 4,-2.4 -5,-0.3 -1,-0.2 0.891 100.1 48.0 -49.1 -43.0 65.4 44.6 14.0 83 103 A V H X S+ 0 0 0 -4,-1.3 4,-2.4 -3,-0.4 -1,-0.2 0.903 109.5 52.3 -71.4 -37.1 62.9 47.3 14.9 84 104 A A H X S+ 0 0 63 -4,-1.2 4,-2.5 2,-0.2 -2,-0.2 0.974 110.7 48.3 -58.4 -54.1 65.1 48.6 17.8 85 105 A Q H X S+ 0 0 88 -4,-2.8 4,-3.1 1,-0.2 5,-0.2 0.946 112.7 47.6 -48.2 -54.8 68.1 48.9 15.5 86 106 A A H X S+ 0 0 0 -4,-2.4 4,-0.6 -5,-0.2 -1,-0.2 0.856 109.7 52.9 -60.9 -38.2 66.1 50.6 12.8 87 107 A G H >X>S+ 0 0 5 -4,-2.4 5,-2.3 2,-0.2 4,-2.0 0.899 111.1 46.8 -64.7 -42.7 64.6 53.0 15.3 88 108 A K H ><5S+ 0 0 187 -4,-2.5 3,-0.8 1,-0.2 -2,-0.2 0.986 106.8 57.9 -57.1 -59.3 68.0 54.0 16.6 89 109 A L H 3<5S+ 0 0 78 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.660 123.8 24.3 -48.2 -16.4 69.3 54.4 13.0 90 110 A M H <<5S- 0 0 15 -3,-0.6 -1,-0.3 -4,-0.6 -2,-0.2 0.522 102.4-120.1-127.6 -11.5 66.6 57.0 12.5 91 111 A G T <<5S- 0 0 57 -4,-2.0 2,-0.2 -3,-0.8 -3,-0.2 0.952 84.6 -4.5 68.2 48.5 65.8 58.3 16.0 92 112 A G S > + 0 0 87 1,-0.2 4,-1.8 2,-0.1 3,-1.2 -0.305 19.1 156.6 -77.7 75.2 53.1 20.2 3.9 113 133 A I H 3> S+ 0 0 35 -2,-2.6 4,-3.4 1,-0.3 -1,-0.2 0.777 76.4 63.4 -57.8 -26.7 52.0 21.3 7.3 114 134 A H H 3> S+ 0 0 140 2,-0.2 4,-2.4 1,-0.2 -1,-0.3 0.809 101.4 49.0 -72.3 -25.4 55.4 22.7 7.7 115 135 A H H <> S+ 0 0 47 -3,-1.2 4,-2.0 2,-0.2 -2,-0.2 0.888 111.1 49.5 -80.5 -36.9 54.6 25.0 4.9 116 136 A V H X S+ 0 0 1 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.977 114.9 44.8 -58.2 -54.4 51.4 25.9 6.6 117 137 A R H X S+ 0 0 59 -4,-3.4 4,-3.0 1,-0.2 -2,-0.2 0.938 114.0 49.0 -54.9 -47.7 53.3 26.5 9.9 118 138 A K H X S+ 0 0 80 -4,-2.4 4,-3.1 1,-0.2 5,-0.3 0.867 109.6 51.5 -67.0 -30.6 56.1 28.5 8.2 119 139 A S H X>S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 5,-0.7 0.898 111.7 47.0 -71.3 -39.6 53.7 30.7 6.4 120 140 A M H X>S+ 0 0 1 -4,-2.1 5,-3.0 3,-0.2 4,-1.2 0.936 114.6 48.3 -64.1 -47.2 51.8 31.5 9.6 121 141 A E H <>S+ 0 0 31 -4,-3.0 5,-2.5 3,-0.2 -2,-0.2 0.966 124.1 28.3 -55.7 -54.5 55.1 32.2 11.3 122 142 A V H <5S+ 0 0 8 -4,-3.1 -3,-0.2 3,-0.2 -2,-0.2 0.912 127.0 37.3 -80.8 -44.9 56.6 34.4 8.6 123 143 A N H <5S+ 0 0 0 -4,-2.6 -3,-0.2 -5,-0.3 -1,-0.2 0.785 135.6 14.6 -82.3 -25.1 53.6 36.1 6.9 124 144 A F T >X> S+ 0 0 0 -3,-2.0 4,-2.7 2,-0.2 -1,-0.3 0.850 106.7 48.8 -81.9 -35.9 54.1 40.9 11.7 128 148 A V H X S+ 0 0 5 -4,-2.7 4,-1.5 2,-0.2 3,-0.6 0.939 110.3 51.2 -61.8 -47.0 54.1 45.7 15.4 132 152 A V H >< S+ 0 0 38 -4,-3.1 3,-0.9 1,-0.3 -1,-0.2 0.966 111.4 47.9 -54.9 -53.1 54.6 45.0 19.1 133 153 A A H 3< S+ 0 0 26 -4,-2.3 4,-0.3 1,-0.2 -1,-0.3 0.784 118.3 41.5 -58.1 -25.3 58.2 46.1 18.9 134 154 A A H S+ 0 0 82 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.966 112.5 40.5 -59.8 -43.2 56.0 52.5 21.4 137 157 A M H > S+ 0 0 41 -4,-0.3 4,-0.9 1,-0.2 -44,-0.3 0.887 113.6 54.1 -69.6 -32.1 57.7 54.6 18.7 138 158 A L H X>S+ 0 0 0 -4,-2.1 5,-2.2 2,-0.2 4,-1.3 0.891 106.9 50.6 -69.5 -33.9 54.6 54.7 16.6 139 159 A K H ><5S+ 0 0 83 -4,-2.5 3,-1.0 1,-0.3 -1,-0.2 0.968 107.6 54.7 -63.2 -50.6 52.5 56.1 19.5 140 160 A Q H 3<5S+ 0 0 165 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.673 119.6 32.4 -52.6 -28.7 55.0 58.7 20.1 141 161 A S H 3<5S- 0 0 38 -4,-0.9 -1,-0.3 -3,-0.4 -2,-0.2 0.479 100.5-127.2-108.5 -3.5 54.8 59.8 16.5 142 162 A N T <<5 + 0 0 76 -4,-1.3 -3,-0.2 -3,-1.0 47,-0.2 0.929 59.3 157.5 54.0 45.1 51.1 59.0 15.8 143 163 A G < - 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0 0 113 -2,-0.1 3,-3.0 217,-0.1 4,-0.3 -0.957 41.6-123.6-148.5 134.3 16.2 14.4 8.6 278 29 B P G >> S+ 0 0 68 0, 0.0 3,-1.5 0, 0.0 4,-0.9 0.697 104.8 75.0 -45.6 -25.9 17.8 12.7 11.7 279 30 B E G 34 S+ 0 0 107 1,-0.3 3,-0.3 2,-0.2 -3,-0.0 0.808 79.0 71.9 -56.9 -34.7 18.1 9.5 9.5 280 31 B M G <4 S+ 0 0 21 -3,-3.0 -1,-0.3 1,-0.2 -4,-0.0 0.788 101.8 42.9 -55.1 -30.9 21.0 11.0 7.7 281 32 B L T X4 S+ 0 0 5 -3,-1.5 3,-2.4 -4,-0.3 28,-0.3 0.785 83.5 112.3 -88.8 -31.2 23.3 10.6 10.7 282 33 B Q T 3< S+ 0 0 132 -4,-0.9 26,-0.2 -3,-0.3 25,-0.2 -0.223 92.7 4.3 -50.9 118.1 22.3 7.1 11.9 283 34 B G T 3 S+ 0 0 39 24,-2.1 -1,-0.3 1,-0.3 25,-0.2 0.294 99.2 133.6 89.1 -7.8 25.2 4.6 11.5 284 35 B K < - 0 0 86 -3,-2.4 25,-2.2 1,-0.1 2,-1.0 -0.396 59.1-125.6 -75.6 150.3 27.5 7.4 10.3 285 36 B K + 0 0 59 23,-0.2 78,-1.2 -2,-0.1 79,-1.2 -0.550 40.2 170.5-106.4 77.7 31.0 7.6 11.8 286 37 B V E -h 364 0C 0 -2,-1.0 2,-0.3 77,-0.2 79,-0.2 0.044 21.8-157.0 -73.8 176.6 31.5 11.1 13.2 287 38 B I E -h 365 0C 2 77,-0.8 79,-3.0 23,-0.1 2,-0.4 -0.837 6.6-168.0-150.8 127.1 34.2 12.6 15.4 288 39 B V E -h 366 0C 0 -2,-0.3 25,-0.4 23,-0.2 3,-0.3 -0.963 4.3-161.8-112.7 135.5 33.7 15.7 17.5 289 40 B T S S+ 0 0 0 77,-1.3 25,-0.2 -2,-0.4 23,-0.0 -0.677 77.3 35.3-102.9 167.8 36.6 17.5 19.1 290 41 B G S S+ 0 0 18 -2,-0.2 3,-0.5 23,-0.2 6,-0.3 0.875 79.7 142.9 53.7 38.7 36.2 19.9 22.0 291 42 B A + 0 0 0 22,-3.0 23,-0.2 -3,-0.3 -1,-0.1 0.447 38.2 87.2 -93.5 0.7 33.5 17.5 23.1 292 43 B S S S- 0 0 12 21,-0.4 -1,-0.2 31,-0.0 2,-0.2 0.849 103.9 -12.6 -71.2 -34.8 34.1 17.7 26.9 293 44 B K S > S+ 0 0 96 -3,-0.5 4,-2.8 4,-0.0 3,-0.2 -0.727 103.2 20.0-144.6-162.7 31.7 20.7 27.3 294 45 B G H > S- 0 0 7 2,-0.2 4,-2.1 1,-0.2 3,-0.4 0.191 117.1 -9.5 37.8-142.7 29.7 23.5 25.6 295 46 B I H > S+ 0 0 24 1,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.900 136.1 55.3 -51.4 -47.9 28.8 23.4 21.9 296 47 B G H > S+ 0 0 1 -6,-0.3 4,-2.0 2,-0.2 -1,-0.3 0.901 106.9 49.5 -56.9 -41.3 31.0 20.4 21.3 297 48 B R H >X S+ 0 0 61 -4,-2.8 4,-1.8 -3,-0.4 3,-0.7 0.994 108.5 51.2 -63.9 -56.9 29.3 18.4 24.0 298 49 B E H 3X S+ 0 0 32 -4,-2.1 4,-2.4 1,-0.3 5,-0.3 0.861 106.7 57.7 -46.3 -40.1 25.8 19.1 22.8 299 50 B M H 3X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 -1,-0.3 0.944 103.4 50.2 -61.8 -46.0 26.9 18.0 19.4 300 51 B A H <>S+ 0 0 0 -4,-2.7 5,-2.0 -5,-0.3 3,-0.7 0.923 109.7 48.1 -57.0 -43.5 24.7 12.8 17.4 304 55 B A H ><5S+ 0 0 0 -4,-2.3 3,-3.4 -3,-0.4 -2,-0.2 0.971 104.5 56.6 -58.7 -57.8 23.9 10.2 20.0 305 56 B K H 3<5S+ 0 0 126 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.667 108.5 51.7 -50.7 -16.2 20.1 10.7 19.8 306 57 B M T <<5S- 0 0 24 -4,-0.9 -1,-0.3 -3,-0.7 -2,-0.2 0.452 118.3-111.9-102.4 -3.0 20.5 10.0 16.0 307 58 B G T < 5 + 0 0 15 -3,-3.4 -24,-2.1 -4,-0.3 -3,-0.2 0.847 59.1 159.9 78.5 35.6 22.4 6.7 16.6 308 59 B A < - 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0 0 11 40,-2.5 2,-0.2 -2,-0.4 18,-0.1 -0.217 61.6 -32.5 -92.0-165.9 27.3 34.4 17.0 466 217 B L - 0 0 37 15,-0.2 17,-1.0 -2,-0.1 2,-0.4 -0.291 66.4-166.7 -52.1 114.9 27.2 34.6 20.9 467 218 B I B -m 483 0E 9 15,-0.2 2,-0.2 -2,-0.2 6,-0.2 -0.842 27.5-117.1-112.5 145.5 26.2 31.2 22.2 468 219 B D + 0 0 58 15,-3.1 -174,-0.1 -2,-0.4 -2,-0.1 0.154 60.0 141.7 -77.1 21.6 25.1 30.4 25.8 469 220 B T > - 0 0 17 -2,-0.2 4,-3.8 14,-0.1 5,-0.2 -0.200 64.7-110.8 -46.3 151.7 27.9 28.1 26.8 470 221 B E H > S+ 0 0 49 2,-0.2 4,-3.3 1,-0.2 5,-0.3 0.927 117.7 50.2 -42.9 -63.7 29.3 28.3 30.2 471 222 B T H > S+ 0 0 68 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.965 114.4 44.3 -52.2 -52.9 32.6 29.7 29.1 472 223 B A H > S+ 0 0 22 1,-0.2 4,-2.2 2,-0.2 5,-0.3 0.953 114.1 48.5 -60.4 -51.0 30.9 32.4 27.0 473 224 B M H X S+ 0 0 67 -4,-3.8 4,-2.0 1,-0.2 -1,-0.2 0.910 111.2 52.0 -55.8 -42.8 28.4 33.3 29.7 474 225 B K H < S+ 0 0 149 -4,-3.3 4,-0.5 -5,-0.2 3,-0.4 0.977 111.1 45.7 -58.9 -50.3 31.1 33.5 32.3 475 226 B A H < S+ 0 0 51 -4,-2.6 -1,-0.2 -5,-0.3 3,-0.2 0.824 120.6 37.2 -69.6 -28.0 33.2 35.9 30.3 476 227 B V H < S+ 0 0 51 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.660 87.8 95.6 -94.0 -17.9 30.5 38.2 29.2 477 228 B S < 0 0 100 -4,-2.0 -1,-0.2 -3,-0.4 -2,-0.1 0.829 360.0 360.0 -38.6 -50.6 28.4 38.2 32.4 478 229 B G 0 0 74 -4,-0.5 -211,-0.1 -3,-0.2 -1,-0.1 0.095 360.0 360.0 -31.8 360.0 30.1 41.4 33.8 479 ! 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 0.0 480 233 B M 0 0 127 0, 0.0 2,-0.5 0, 0.0 -217,-0.0 0.000 360.0 360.0 360.0 159.2 24.2 41.1 24.8 481 234 B Q - 0 0 143 1,-0.0 26,-0.2 -13,-0.0 -15,-0.2 -0.653 360.0-164.8 -82.9 123.8 21.7 38.4 23.7 482 235 B A - 0 0 24 -2,-0.5 -15,-0.2 25,-0.1 -16,-0.1 -0.429 11.7-129.8 -96.1 178.5 23.2 34.9 23.6 483 236 B A B -m 467 0E 4 -17,-1.0 -15,-3.1 -2,-0.1 2,-0.2 -0.918 30.6 -79.5-135.1 159.1 21.6 31.9 21.9 484 237 B P > - 0 0 61 0, 0.0 4,-2.4 0, 0.0 3,-0.5 -0.344 25.8-153.7 -68.4 122.4 20.8 28.2 22.8 485 238 B K H > S+ 0 0 41 1,-0.2 4,-1.4 -2,-0.2 5,-0.1 0.739 91.9 62.9 -63.5 -22.9 23.7 25.8 22.7 486 239 B E H > S+ 0 0 115 2,-0.2 4,-0.8 1,-0.1 -1,-0.2 0.938 111.2 34.0 -70.5 -42.2 21.3 22.9 22.1 487 240 B E H >> S+ 0 0 99 -3,-0.5 4,-3.0 2,-0.2 3,-1.0 0.935 110.9 61.4 -79.3 -47.8 20.1 24.2 18.8 488 241 B C H 3X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.3 -1,-0.2 0.899 106.3 49.3 -42.8 -44.8 23.3 25.8 17.7 489 242 B A H 3X S+ 0 0 0 -4,-1.4 4,-1.5 1,-0.2 -1,-0.3 0.841 109.3 51.5 -67.6 -33.0 24.8 22.4 17.8 490 243 B L H X S+ 0 0 54 -4,-3.0 4,-2.2 1,-0.2 3,-0.9 0.982 105.8 55.5 -55.5 -54.7 22.3 23.5 13.1 492 245 B I H 3X S+ 0 0 0 -4,-2.6 4,-1.7 1,-0.3 -1,-0.2 0.899 110.1 47.5 -44.0 -41.9 26.0 22.8 12.9 493 246 B I H 3X S+ 0 0 0 -4,-1.5 4,-2.1 2,-0.2 -1,-0.3 0.838 110.0 51.5 -74.4 -30.2 25.1 19.1 12.2 494 247 B K H S+ 0 0 1 -4,-2.2 5,-2.2 1,-0.3 -2,-0.2 0.885 114.3 46.6 -40.7 -46.7 24.8 22.2 7.6 496 249 B G H ><5S+ 0 0 0 -4,-1.7 3,-1.4 -5,-0.4 -1,-0.3 0.910 111.9 48.3 -70.6 -40.9 27.3 19.4 7.6 497 250 B A H 3<5S+ 0 0 16 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.961 113.4 47.4 -66.7 -50.1 24.9 16.6 6.7 498 251 B L T 3<5S- 0 0 20 -4,-3.1 -226,-0.9 -5,-0.1 -1,-0.3 0.315 109.9-125.7 -67.2 7.1 23.5 18.7 3.9 499 252 B R T < 5 + 0 0 41 -3,-1.4 -40,-0.2 -5,-0.2 -3,-0.2 0.790 47.0 170.6 45.7 33.1 27.0 19.4 2.7 500 253 B Q < - 0 0 64 -5,-2.2 -1,-0.1 -6,-0.2 -39,-0.1 -0.367 40.3-132.6 -64.8 149.9 26.4 23.2 2.7 501 254 B E S S+ 0 0 74 -41,-0.2 -40,-2.6 1,-0.1 2,-0.3 0.888 85.2 14.3 -67.9 -34.0 29.5 25.4 2.3 502 255 B E E -k 461 0C 41 -42,-0.2 2,-0.4 -7,-0.1 -40,-0.2 -0.937 54.4-159.7-143.5 156.9 28.4 27.5 5.2 503 256 B V E -k 462 0C 8 -42,-1.8 -40,-3.9 -2,-0.3 2,-0.4 -0.993 8.8-165.1-134.1 136.1 26.1 27.8 8.2 504 257 B Y E +k 463 0C 29 -2,-0.4 2,-0.3 -42,-0.2 -40,-0.2 -0.971 13.1 171.2-116.6 132.7 25.2 31.1 9.9 505 258 B Y E +k 464 0C 25 -42,-2.0 -40,-2.5 -2,-0.4 2,-0.3 -0.808 14.7 136.7-149.7 106.7 23.7 30.9 13.4 506 259 B D - 0 0 23 -2,-0.3 6,-0.1 2,-0.3 -24,-0.1 -0.981 54.8-126.0-146.7 148.9 23.1 33.9 15.5 507 260 B S S S+ 0 0 54 -2,-0.3 -25,-0.1 -41,-0.2 -1,-0.1 0.884 92.2 79.7 -72.3 -30.1 20.2 35.1 17.6 508 261 B S S S- 0 0 30 -27,-0.2 4,-0.5 1,-0.1 -2,-0.3 -0.256 70.1-149.3 -69.8 160.7 20.1 38.4 15.7 509 262 B L S S+ 0 0 121 2,-0.1 4,-0.3 3,-0.1 -1,-0.1 0.477 88.3 67.7-112.3 -6.0 18.4 38.6 12.3 510 263 B W S > S+ 0 0 144 2,-0.1 4,-3.5 3,-0.1 3,-0.3 0.883 102.3 46.3 -75.3 -44.7 20.6 41.3 10.8 511 264 B T H > S+ 0 0 1 2,-0.3 4,-3.8 1,-0.3 5,-0.5 0.975 104.5 56.9 -66.4 -56.0 23.7 39.2 10.7 512 265 B T H 4 S+ 0 0 27 -4,-0.5 -1,-0.3 1,-0.3 4,-0.2 0.749 123.9 30.0 -48.4 -23.2 22.1 36.1 9.2 513 266 B L H 4 S+ 0 0 143 -3,-0.3 -1,-0.3 -4,-0.3 -2,-0.3 0.747 127.1 39.5-109.1 -31.3 21.1 38.4 6.4 514 267 B L H < S+ 0 0 46 -4,-3.5 -3,-0.2 1,-0.2 -2,-0.2 0.494 105.0 68.1 -96.8 -6.7 23.9 41.0 6.4 515 268 B I S < S+ 0 0 13 -4,-3.8 -1,-0.2 -5,-0.2 -3,-0.2 0.836 75.5 94.2 -85.6 -32.9 26.7 38.6 7.1 516 269 B R - 0 0 130 -5,-0.5 -265,-0.1 -4,-0.2 -3,-0.0 -0.259 66.8-144.0 -65.6 141.6 26.6 36.8 3.7 517 270 B N > + 0 0 35 1,-0.2 4,-1.5 2,-0.1 5,-0.1 -0.761 24.1 171.9-117.0 90.0 29.0 38.1 1.1 518 271 B P H > S+ 0 0 84 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.910 81.3 56.8 -66.3 -40.6 27.5 37.9 -2.5 519 272 B S H > S+ 0 0 29 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.926 103.1 53.9 -53.9 -47.8 30.3 39.9 -4.0 520 273 B R H > S+ 0 0 22 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.922 109.1 50.0 -53.4 -41.1 32.8 37.4 -2.6 521 274 B K H X S+ 0 0 92 -4,-1.5 4,-2.7 1,-0.2 -1,-0.2 0.919 109.6 50.6 -66.2 -44.0 30.8 34.7 -4.4 522 275 B I H X S+ 0 0 75 -4,-2.6 4,-2.9 1,-0.2 5,-0.2 0.965 109.3 49.6 -56.5 -56.2 30.8 36.6 -7.6 523 276 B L H X S+ 0 0 13 -4,-2.9 4,-2.4 2,-0.2 5,-0.2 0.896 111.1 50.0 -54.2 -39.6 34.6 37.2 -7.6 524 277 B E H X S+ 0 0 10 -4,-2.1 4,-2.9 -5,-0.3 -1,-0.2 0.978 111.2 49.0 -64.1 -53.9 35.2 33.5 -6.9 525 278 B F H X S+ 0 0 127 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.944 110.7 50.6 -42.8 -60.0 32.9 32.4 -9.8 526 279 B L H < S+ 0 0 61 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.950 114.4 42.8 -49.5 -54.2 34.5 34.8 -12.2 527 280 B Y H >X S+ 0 0 46 -4,-2.4 3,-1.0 -5,-0.2 4,-0.6 0.891 113.8 52.0 -64.5 -35.8 38.0 33.7 -11.5 528 281 B S H >< S+ 0 0 64 -4,-2.9 3,-0.6 1,-0.2 -1,-0.2 0.922 112.0 42.7 -70.3 -41.4 37.1 30.0 -11.4 529 282 B T T 3< S+ 0 0 99 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.203 112.0 56.4 -88.4 17.5 35.3 29.9 -14.9 530 283 B S T <4 S+ 0 0 56 -3,-1.0 2,-0.4 1,-0.3 -1,-0.2 0.455 106.5 45.1-124.5 -8.5 37.9 32.0 -16.6 531 284 B Y S << S- 0 0 58 -3,-0.6 -1,-0.3 -4,-0.6 4,-0.0 -0.946 75.4-136.5-142.3 112.4 41.0 29.9 -15.8 532 285 B N - 0 0 131 -2,-0.4 -3,-0.0 1,-0.2 -2,-0.0 -0.299 8.0-156.9 -49.4 154.1 41.2 26.2 -16.2 533 286 B M S > S+ 0 0 20 1,-0.1 3,-1.4 -81,-0.1 -1,-0.2 0.382 74.1 99.6-109.9 -5.3 43.1 24.9 -13.2 534 287 B D T 3 + 0 0 135 1,-0.3 -1,-0.1 0, 0.0 -2,-0.1 0.455 48.3 109.1 -55.4 2.8 44.0 21.9 -15.2 535 288 B R T 3 0 0 114 1,-0.2 -1,-0.3 -326,-0.0 -2,-0.1 0.815 360.0 360.0 -49.7 -33.3 47.3 23.8 -15.6 536 289 B F < 0 0 200 -3,-1.4 -1,-0.2 -429,-0.0 -429,-0.0 -0.989 360.0 360.0 141.7 360.0 48.9 21.1 -13.2