==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-MAR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE/OXIDOREDUCTASE INHIBITOR 03-FEB-09 3G49 . COMPND 2 MOLECULE: 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: CAVIA PORCELLUS; . AUTHOR T.A.PAULY . 1052 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 42402.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 825 78.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 144 13.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 0.8 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 0.1 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 . 74 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 109 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 431 41.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 35 3.3 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 3 1 3 0 0 0 7 5 6 2 4 1 3 0 0 0 0 0 2 2 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 4 11 2 3 4 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 . 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 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 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 K 0 0 215 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 146.5 20.7 -4.0 38.7 2 2 A F + 0 0 27 2,-0.0 220,-0.0 3,-0.0 221,-0.0 -0.419 360.0 169.6 -94.3 141.6 21.2 -2.9 42.3 3 3 A R > - 0 0 143 -2,-0.1 3,-1.6 219,-0.1 4,-0.1 -0.963 39.0-124.3-139.0 134.0 22.7 -4.6 45.3 4 4 A P G > S+ 0 0 59 0, 0.0 3,-1.2 0, 0.0 4,-0.4 0.679 105.2 69.9 -34.6 -37.1 23.5 -3.0 48.8 5 5 A E G 3 S+ 0 0 96 1,-0.3 3,-0.3 2,-0.2 -3,-0.0 0.694 75.3 80.3 -67.9 -23.3 27.1 -4.1 48.6 6 6 A M G < S+ 0 0 83 -3,-1.6 -1,-0.3 1,-0.2 26,-0.0 0.570 105.4 36.1 -59.9 -0.0 27.8 -1.7 45.8 7 7 A L S X S+ 0 0 2 -3,-1.2 3,-2.4 25,-0.2 -2,-0.2 0.609 84.3 115.8-120.3 -16.3 28.0 0.7 48.8 8 8 A Q T 3 S+ 0 0 128 -4,-0.4 26,-0.3 -3,-0.3 25,-0.2 -0.399 94.0 4.7 -61.7 115.3 29.7 -1.4 51.6 9 9 A G T 3 S+ 0 0 37 24,-2.8 -1,-0.3 1,-0.3 2,-0.2 0.408 98.6 135.0 89.9 5.8 33.1 0.3 52.3 10 10 A K < - 0 0 85 -3,-2.4 25,-2.1 23,-0.1 2,-0.4 -0.598 53.8-128.4 -96.1 148.5 32.5 3.2 50.0 11 11 A K E -a 35 0A 53 -2,-0.2 78,-1.8 23,-0.2 79,-1.7 -0.801 34.1-179.8-105.4 136.4 33.3 6.6 51.2 12 12 A V E -ab 36 90A 0 23,-1.2 25,-1.8 -2,-0.4 2,-0.5 -0.970 28.3-150.0-147.3 132.2 30.6 9.2 50.8 13 13 A I E -ab 37 91A 0 77,-2.2 79,-3.5 -2,-0.4 2,-0.5 -0.869 15.0-174.4-101.7 119.5 29.6 12.8 51.4 14 14 A V E -ab 38 92A 0 23,-2.2 25,-1.2 -2,-0.5 3,-0.3 -0.992 8.9-163.5-101.9 118.6 26.0 13.6 52.1 15 15 A T S S+ 0 0 0 77,-2.1 25,-0.1 -2,-0.5 23,-0.0 -0.566 72.9 28.9 -91.8 168.2 25.1 17.4 52.3 16 16 A G S > S+ 0 0 18 23,-0.4 3,-0.6 -2,-0.2 7,-0.4 0.848 80.3 143.4 44.4 40.3 22.0 18.8 53.9 17 17 A A T 3 + 0 0 0 22,-1.8 23,-0.2 -3,-0.3 -1,-0.1 0.433 36.4 89.9 -88.2 7.7 22.0 15.7 56.1 18 18 A S T 3 S- 0 0 17 21,-0.3 2,-0.2 31,-0.0 -1,-0.2 0.759 104.9 -12.1 -79.9 -26.0 20.7 17.3 59.4 19 19 A K S <> S+ 0 0 112 -3,-0.6 4,-3.1 30,-0.0 3,-0.2 -0.735 105.5 21.3-151.4-157.1 17.1 16.5 58.4 20 20 A G H > S- 0 0 10 2,-0.2 4,-1.8 1,-0.2 5,-0.2 0.270 114.9 -10.1 14.7-131.5 14.8 15.4 55.5 21 21 A I H > S+ 0 0 21 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.949 137.2 52.6 -52.3 -45.9 15.9 13.5 52.4 22 22 A G H > S+ 0 0 0 -6,-0.4 4,-1.8 1,-0.2 -1,-0.2 0.915 104.5 55.6 -61.2 -45.3 19.5 14.1 53.2 23 23 A R H X S+ 0 0 76 -4,-3.1 4,-1.6 -7,-0.4 -1,-0.2 0.908 111.1 44.2 -51.8 -40.0 19.0 12.6 56.7 24 24 A E H X S+ 0 0 29 -4,-1.8 4,-2.3 2,-0.2 5,-0.2 0.780 105.4 61.9 -79.3 -27.2 17.6 9.4 55.3 25 25 A I H X S+ 0 0 0 -4,-2.2 4,-1.8 -5,-0.2 -1,-0.2 0.953 107.1 46.0 -58.6 -49.2 20.2 9.2 52.6 26 26 A A H X S+ 0 0 0 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.892 109.8 53.2 -59.1 -50.6 22.8 8.9 55.3 27 27 A Y H X S+ 0 0 33 -4,-1.6 4,-1.9 1,-0.2 5,-0.3 0.980 111.4 44.6 -48.9 -64.5 20.8 6.4 57.3 28 28 A H H X S+ 0 0 33 -4,-2.3 4,-1.2 2,-0.3 -1,-0.2 0.837 110.8 54.3 -53.0 -38.0 20.4 3.9 54.4 29 29 A L H <>S+ 0 0 0 -4,-1.8 5,-1.8 -5,-0.2 3,-0.3 0.935 109.0 50.7 -65.2 -35.6 24.0 4.3 53.4 30 30 A A H ><5S+ 0 0 0 -4,-2.4 3,-1.2 1,-0.3 -2,-0.3 0.856 103.9 54.2 -66.0 -39.6 24.8 3.4 57.0 31 31 A K H 3<5S+ 0 0 125 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.760 107.2 57.8 -61.2 -23.3 22.6 0.2 56.8 32 32 A M T 3<5S- 0 0 27 -4,-1.2 -1,-0.2 -3,-0.3 -2,-0.2 0.509 120.6-108.0 -83.5 -6.1 24.8 -0.6 53.7 33 33 A G T < 5 + 0 0 20 -3,-1.2 -24,-2.8 -4,-0.3 -3,-0.2 0.793 67.4 151.0 76.8 38.0 28.1 -0.5 55.6 34 34 A A < - 0 0 0 -5,-1.8 25,-1.4 -26,-0.3 26,-0.8 -0.490 46.4-127.4 -92.1 159.9 29.3 2.9 54.1 35 35 A H E -ac 11 60A 49 -25,-2.1 -23,-1.2 24,-0.2 2,-0.4 -0.889 36.4-169.5 -96.7 141.0 31.6 5.4 55.7 36 36 A V E -ac 12 61A 1 24,-1.2 26,-2.2 -2,-0.4 2,-0.4 -0.984 31.0-163.8-134.9 148.6 30.0 8.9 55.6 37 37 A V E -ac 13 62A 0 -25,-1.8 -23,-2.2 -2,-0.4 2,-0.3 -0.997 27.0-170.7-116.7 125.4 30.8 12.5 56.3 38 38 A V E -ac 14 63A 0 24,-1.9 26,-1.9 -2,-0.4 2,-0.3 -0.824 2.5-167.6-114.8 157.1 27.5 14.4 56.6 39 39 A T E + c 0 64A 1 -25,-1.2 -22,-1.8 -2,-0.3 -23,-0.4 -0.991 22.9 125.9-154.9 154.6 27.1 18.2 56.8 40 40 A A E - c 0 65A 13 24,-1.0 26,-2.0 -2,-0.3 3,-0.0 -0.955 60.2 -91.6 170.6-179.2 24.7 21.0 57.5 41 41 A R S S+ 0 0 168 -2,-0.3 2,-0.7 24,-0.2 26,-0.1 0.901 96.5 78.8 -90.4 -31.7 24.6 24.0 59.7 42 42 A S > - 0 0 54 1,-0.2 4,-2.0 24,-0.1 -1,-0.1 -0.651 58.4-166.1 -93.5 107.1 23.0 22.7 62.9 43 43 A K H > S+ 0 0 125 -2,-0.7 4,-2.0 2,-0.2 5,-0.3 0.933 81.4 52.7 -63.8 -50.8 25.5 20.8 65.0 44 44 A E H >> S+ 0 0 119 1,-0.3 4,-2.3 2,-0.2 3,-0.6 0.921 110.4 47.4 -51.1 -60.3 23.2 19.1 67.5 45 45 A A H 3> S+ 0 0 28 1,-0.2 4,-1.0 2,-0.2 -1,-0.3 0.895 109.3 55.0 -47.6 -49.5 21.0 17.6 64.9 46 46 A L H 3X S+ 0 0 0 -4,-2.0 4,-1.8 1,-0.2 3,-0.4 0.838 106.8 49.9 -54.8 -36.8 24.2 16.4 63.0 47 47 A Q H S+ 0 0 0 -4,-2.7 5,-2.1 2,-0.2 4,-0.3 0.907 111.7 43.2 -52.7 -50.6 24.3 6.0 61.5 54 54 A L H ><5S+ 0 0 92 -4,-3.1 3,-1.9 3,-0.2 -1,-0.2 0.974 109.0 58.0 -60.2 -54.6 26.8 4.2 63.7 55 55 A E H 3<5S+ 0 0 154 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.875 110.1 46.9 -47.4 -35.7 24.0 2.5 65.6 56 56 A L T 3<5S- 0 0 37 -4,-2.7 -1,-0.2 -5,-0.1 -2,-0.2 0.309 128.9 -78.9 -91.3 5.4 22.8 1.1 62.1 57 57 A G T < 5 + 0 0 42 -3,-1.9 -3,-0.2 1,-0.3 -26,-0.1 0.414 68.9 153.4 120.8 0.6 26.0 -0.3 60.5 58 58 A A < - 0 0 14 -5,-2.1 -1,-0.3 -25,-0.1 -23,-0.2 -0.333 44.0-138.9 -57.3 137.8 28.1 2.6 59.0 59 59 A A S S- 0 0 54 -25,-1.4 2,-0.3 1,-0.2 -24,-0.2 0.740 87.5 -8.8 -55.5 -43.9 31.8 1.8 58.9 60 60 A S E -c 35 0A 23 -26,-0.8 -24,-1.2 2,-0.0 2,-0.3 -0.960 62.6-168.2-151.2 166.0 32.3 5.5 60.0 61 61 A A E +c 36 0A 6 -2,-0.3 2,-0.3 -26,-0.2 -24,-0.2 -0.792 15.6 163.9-160.8 101.7 30.1 8.4 60.4 62 62 A H E -c 37 0A 77 -26,-2.2 -24,-1.9 -2,-0.3 2,-0.3 -0.867 19.3-150.4-117.7 164.0 31.5 11.9 61.0 63 63 A Y E -c 38 0A 76 -2,-0.3 2,-0.3 -26,-0.2 -24,-0.2 -0.933 7.2-169.0-127.9 146.3 29.8 15.3 60.7 64 64 A I E -c 39 0A 29 -26,-1.9 -24,-1.0 -2,-0.3 2,-0.5 -0.970 15.7-150.0-128.3 140.4 31.1 18.6 59.8 65 65 A A E +c 40 0A 39 -2,-0.3 2,-0.3 -26,-0.2 -24,-0.2 -0.910 34.7 113.4-115.9 126.5 28.9 21.7 60.3 66 66 A G - 0 0 17 -26,-2.0 2,-0.4 -2,-0.5 -24,-0.1 -0.941 61.1 -85.4-172.0 165.9 28.9 25.0 58.4 67 67 A S > - 0 0 37 -2,-0.3 3,-0.9 1,-0.1 6,-0.2 -0.730 23.2-150.6 -82.2 128.5 26.9 27.3 56.0 68 68 A M T 3 S+ 0 0 13 -2,-0.4 53,-0.2 1,-0.3 -1,-0.1 0.262 91.0 84.6 -76.8 5.4 27.3 26.5 52.3 69 69 A E T 3 S+ 0 0 92 1,-0.1 2,-0.7 51,-0.1 -1,-0.3 0.597 82.4 80.3 -75.7 -4.5 26.7 30.1 51.7 70 70 A D <> - 0 0 78 -3,-0.9 4,-2.8 1,-0.2 3,-0.3 -0.823 64.3-169.3-115.9 102.4 30.4 30.0 52.4 71 71 A M H > S+ 0 0 39 -2,-0.7 4,-2.0 1,-0.3 -1,-0.2 0.858 88.9 52.2 -64.0 -37.0 32.6 28.9 49.6 72 72 A T H > S+ 0 0 76 2,-0.2 4,-2.5 1,-0.2 5,-0.3 0.876 109.2 51.3 -64.9 -36.3 35.8 28.5 51.7 73 73 A F H > S+ 0 0 27 -3,-0.3 4,-2.8 1,-0.2 5,-0.2 0.939 109.0 50.7 -64.9 -46.6 33.8 26.3 54.0 74 74 A A H X S+ 0 0 0 -4,-2.8 4,-1.2 2,-0.2 -2,-0.2 0.899 114.3 44.4 -49.4 -45.7 32.7 24.3 51.0 75 75 A E H >X S+ 0 0 119 -4,-2.0 4,-1.5 2,-0.2 3,-0.7 0.988 118.1 42.2 -62.3 -63.8 36.4 23.9 49.8 76 76 A E H 3X S+ 0 0 122 -4,-2.5 4,-2.2 1,-0.3 3,-0.3 0.887 109.9 58.5 -52.6 -50.0 37.9 23.1 53.3 77 77 A F H 3X S+ 0 0 3 -4,-2.8 4,-1.6 -5,-0.3 -1,-0.3 0.837 102.3 52.6 -52.1 -43.4 35.0 20.8 54.1 78 78 A V H S+ 0 0 3 -4,-2.2 5,-1.1 2,-0.2 4,-1.1 0.890 114.1 52.4 -65.7 -35.8 38.4 13.0 52.3 83 83 A N H ><5S+ 0 0 128 -4,-2.2 3,-0.8 1,-0.2 -2,-0.2 0.944 106.4 52.3 -68.2 -49.9 41.1 13.0 54.9 84 84 A L H 3<5S+ 0 0 61 -4,-3.3 -1,-0.2 1,-0.2 -2,-0.2 0.893 119.4 36.6 -44.3 -50.7 38.9 11.5 57.5 85 85 A M H 3<5S- 0 0 15 -4,-1.8 -2,-0.2 2,-0.3 -1,-0.2 0.509 109.0-111.8 -96.4 7.2 37.9 8.8 55.1 86 86 A G T <<5S- 0 0 72 -4,-1.1 2,-0.3 -3,-0.8 -3,-0.2 0.432 85.8 -41.2 73.3 -4.2 41.2 8.1 53.2 87 87 A G S > + 0 0 76 1,-0.2 4,-1.4 2,-0.1 3,-1.0 -0.265 7.3 163.8 -74.3 65.3 13.8 40.4 46.3 108 108 A I H 3> S+ 0 0 39 -2,-3.2 4,-3.0 1,-0.3 5,-0.2 0.810 72.7 61.2 -38.8 -43.0 17.2 40.3 44.5 109 109 A D H 3> S+ 0 0 126 -3,-0.2 4,-2.0 1,-0.2 -1,-0.3 0.851 104.9 51.0 -70.0 -27.4 19.1 39.4 47.7 110 110 A N H <> S+ 0 0 43 -3,-1.0 4,-2.6 2,-0.2 5,-0.3 0.962 107.8 48.7 -71.3 -46.6 16.9 36.3 47.7 111 111 A V H X S+ 0 0 2 -4,-1.4 4,-1.8 1,-0.2 -2,-0.2 0.932 115.8 48.1 -48.7 -43.7 17.7 35.3 44.0 112 112 A R H X S+ 0 0 70 -4,-3.0 4,-1.8 1,-0.2 -1,-0.2 0.928 112.5 44.4 -68.7 -43.3 21.4 35.8 44.9 113 113 A K H X S+ 0 0 81 -4,-2.0 4,-2.8 1,-0.3 -1,-0.2 0.879 113.7 50.4 -76.6 -35.7 21.5 33.9 48.1 114 114 A S H X S+ 0 0 0 -4,-2.6 4,-2.2 -5,-0.2 5,-0.4 0.859 108.3 53.9 -71.9 -30.7 19.5 31.0 46.7 115 115 A M H X>S+ 0 0 1 -4,-1.8 5,-1.6 -5,-0.3 4,-1.5 0.905 112.3 44.5 -66.8 -37.8 21.9 31.0 43.8 116 116 A E H <>S+ 0 0 27 -4,-1.8 5,-2.3 3,-0.2 6,-0.3 0.954 117.2 42.7 -67.2 -53.1 24.9 30.6 46.1 117 117 A V H <5S+ 0 0 13 -4,-2.8 5,-0.2 1,-0.2 -2,-0.2 0.948 125.7 30.3 -62.7 -49.0 23.5 28.1 48.4 118 118 A N H <5S+ 0 0 0 -4,-2.2 -1,-0.2 -5,-0.2 -3,-0.2 0.649 135.4 15.3 -95.5 -18.3 21.9 25.8 45.7 119 119 A F T >X5S+ 0 0 0 -4,-1.5 4,-1.7 -5,-0.4 3,-0.8 0.678 119.2 48.7-115.6 -71.4 24.2 26.3 42.7 120 120 A H H >> S+ 0 0 0 -3,-0.8 4,-1.8 -6,-0.3 -1,-0.3 0.913 109.8 45.8 -54.3 -44.9 27.5 22.5 44.4 123 123 A V H < S+ 0 0 37 -4,-3.1 3,-1.0 2,-0.2 -2,-0.2 0.969 113.3 48.7 -69.1 -51.5 35.5 21.1 42.1 128 128 A A H 3< S+ 0 0 33 -4,-4.3 4,-0.4 1,-0.2 -2,-0.2 0.950 116.0 46.0 -43.5 -50.6 37.3 20.4 45.6 129 129 A A H 3X S+ 0 0 0 -4,-2.5 4,-2.7 -5,-0.3 5,-0.3 0.646 87.5 92.1 -71.3 -16.2 36.2 16.7 45.4 130 130 A M H S+ 0 0 78 0, 0.0 4,-2.5 0, 0.0 5,-0.3 0.936 115.6 41.8 -42.1 -53.0 40.9 14.7 42.2 132 132 A M H > S+ 0 0 42 -4,-0.4 4,-2.2 1,-0.2 -44,-0.2 0.936 113.3 51.7 -74.2 -40.0 39.6 12.1 44.6 133 133 A L H X>S+ 0 0 0 -4,-2.7 5,-2.0 2,-0.2 4,-1.2 0.825 111.4 50.4 -50.3 -35.8 36.6 11.3 42.5 134 134 A M H <5S+ 0 0 95 -4,-3.0 3,-0.3 -5,-0.3 -2,-0.2 0.971 112.1 44.0 -71.6 -50.0 39.0 10.8 39.5 135 135 A Q H <5S+ 0 0 173 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.886 120.4 43.5 -57.7 -33.6 41.3 8.5 41.3 136 136 A S H <5S- 0 0 43 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.766 100.1-134.3 -89.2 -14.7 38.3 6.7 42.7 137 137 A Q T <5 + 0 0 116 -4,-1.2 -3,-0.2 -3,-0.3 47,-0.1 0.883 58.1 152.3 57.3 44.9 36.4 6.6 39.4 138 138 A G < - 0 0 5 -5,-2.0 46,-1.8 -50,-0.2 2,-0.3 0.394 38.0-105.6 -95.7-143.8 33.4 7.7 41.6 139 139 A S E -de 90 184A 6 -50,-1.8 -48,-3.1 44,-0.2 2,-0.4 -0.977 6.0-149.3-158.2 151.9 30.2 9.6 41.3 140 140 A I E -de 91 185A 0 44,-1.9 46,-2.7 -50,-0.3 2,-0.5 -0.995 13.8-152.7-133.0 129.0 28.3 12.9 42.2 141 141 A A E -de 92 186A 0 -50,-3.9 -48,-3.3 -2,-0.4 2,-0.7 -0.954 6.8-159.8-110.4 123.2 24.6 13.0 42.8 142 142 A V E -de 93 187A 0 44,-3.1 46,-3.5 -2,-0.5 2,-0.5 -0.931 11.8-149.6-106.9 102.5 23.1 16.4 42.0 143 143 A V E + e 0 188A 8 -50,-2.0 2,-0.2 -2,-0.7 46,-0.2 -0.674 34.1 142.4 -83.3 123.2 19.7 16.7 43.8 144 144 A S E - e 0 189A 1 44,-3.1 46,-1.0 -2,-0.5 2,-0.3 -0.451 34.2-111.9-141.7-153.0 17.2 18.8 42.1 145 145 A S E > - e 0 190A 15 44,-0.3 3,-3.4 -2,-0.2 5,-0.2 -0.957 33.9-101.7-158.4 153.1 13.5 19.0 41.3 146 146 A V G >> S+ 0 0 8 44,-2.0 4,-3.3 -2,-0.3 3,-3.1 0.949 123.5 64.6 -46.4 -46.6 10.7 18.9 38.9 147 147 A A G 34 S+ 0 0 7 43,-0.3 -1,-0.3 1,-0.3 16,-0.3 0.468 92.2 63.3 -56.6 0.0 11.1 22.7 39.2 148 148 A G G <4 S+ 0 0 2 -3,-3.4 -1,-0.3 14,-0.2 -2,-0.2 0.332 113.5 31.5-100.8 3.6 14.5 22.2 37.8 149 149 A K T <4 S+ 0 0 18 -3,-3.1 -2,-0.2 1,-0.2 2,-0.2 0.462 132.5 16.2-127.0 -32.1 13.0 21.0 34.5 150 150 A I S < S- 0 0 2 -4,-3.3 2,-0.4 -5,-0.2 -1,-0.2 -0.628 79.3-105.8-127.7-165.6 9.7 23.0 34.5 151 151 A T - 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0 0 37 -5,-1.9 2,-0.9 -6,-0.2 -1,-0.3 -0.689 31.3-143.9 -76.1 127.9 0.3 41.8 35.4 446 445 B N + 0 0 85 -2,-0.5 2,-0.4 -48,-0.2 -1,-0.1 -0.364 61.5 113.0-102.0 52.4 0.3 43.2 31.8 447 446 B V - 0 0 7 -2,-0.9 2,-0.2 -10,-0.1 -44,-0.2 -0.994 56.1-147.0-115.6 121.7 4.1 43.0 31.2 448 447 B S E -n 403 0E 17 -46,-1.4 -44,-2.3 -2,-0.4 2,-0.5 -0.669 4.9-156.5 -96.5 152.6 5.2 40.4 28.6 449 448 B I E -n 404 0E 1 -2,-0.2 2,-0.6 -46,-0.2 -44,-0.2 -0.994 7.4-162.9-126.8 110.9 8.5 38.5 28.9 450 449 B T E -n 405 0E 0 -46,-3.0 -44,-1.8 -2,-0.5 2,-0.6 -0.891 6.8-152.0-108.4 109.3 9.9 37.1 25.7 451 450 B L E -no 406 494E 1 42,-2.8 44,-2.3 -2,-0.6 2,-0.7 -0.661 11.9-153.8 -73.0 118.9 12.6 34.4 25.9 452 451 B C E -no 407 495E 0 -46,-3.8 -44,-3.4 -2,-0.6 2,-0.7 -0.866 9.9-171.5-101.0 106.7 14.9 34.6 22.8 453 452 B I E +no 408 496E 0 42,-2.7 44,-2.0 -2,-0.7 2,-0.4 -0.891 13.9 177.4 -94.5 108.7 16.5 31.3 21.9 454 453 B L E -no 409 497E 13 -46,-1.0 -44,-1.3 -2,-0.7 -43,-0.3 -0.913 20.0-149.3-120.1 141.1 19.0 31.8 19.2 455 454 B G - 0 0 18 42,-2.0 44,-0.1 -2,-0.4 2,-0.1 0.048 64.4 -32.7 -83.6-156.6 21.4 29.3 17.5 456 455 B L - 0 0 45 17,-0.2 19,-2.0 42,-0.1 2,-0.3 -0.354 62.0-165.4 -67.1 136.5 24.7 30.5 16.2 457 456 B I B -p 475 0F 9 17,-0.2 2,-1.5 -3,-0.1 6,-0.2 -0.929 28.0-116.4-117.4 144.7 24.8 34.1 14.9 458 457 B D + 0 0 38 17,-2.1 2,-0.2 -2,-0.3 19,-0.1 -0.117 61.2 138.5 -77.7 41.5 27.6 35.6 12.7 459 458 B T > - 0 0 11 -2,-1.5 4,-2.0 1,-0.1 5,-0.3 -0.537 67.5-113.2 -74.9 153.5 28.8 38.3 15.0 460 459 B E H > S+ 0 0 132 1,-0.2 4,-3.1 2,-0.2 5,-0.3 0.882 115.4 57.6 -55.0 -40.3 32.7 38.3 15.0 461 460 B T H > S+ 0 0 55 2,-0.2 4,-2.1 1,-0.2 5,-0.3 0.976 108.4 42.2 -60.9 -55.7 32.7 37.1 18.6 462 461 B A H > S+ 0 0 13 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.953 120.2 41.9 -58.8 -48.2 30.8 33.9 18.0 463 462 B I H X S+ 0 0 77 -4,-2.0 4,-0.7 -6,-0.2 -1,-0.2 0.857 113.7 51.4 -65.8 -37.2 32.5 33.0 14.8 464 463 B K H >< S+ 0 0 132 -4,-3.1 3,-1.5 -5,-0.3 -2,-0.2 0.986 113.7 45.3 -67.7 -50.1 36.0 33.9 16.0 465 464 B A H 3< S+ 0 0 47 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.785 118.9 41.5 -56.7 -39.9 35.5 31.8 19.2 466 465 B T H >X S+ 0 0 24 -4,-2.2 3,-2.0 -5,-0.3 4,-1.6 0.451 79.5 132.2 -89.8 4.2 34.0 28.9 17.3 467 466 B S T << S- 0 0 92 -3,-1.5 4,-0.1 -4,-0.7 -3,-0.0 -0.337 86.3 -0.8 -60.1 112.6 36.5 29.0 14.3 468 467 B G T 34 S+ 0 0 35 2,-0.3 -1,-0.3 -2,-0.1 -205,-0.2 0.344 125.7 68.6 101.1 -7.1 37.6 25.4 13.9 469 468 B I T <4 S+ 0 0 51 -3,-2.0 -209,-2.8 1,-0.4 2,-0.5 0.775 98.6 37.1-116.9 -55.1 35.7 23.8 16.7 470 469 B Y B < -I 259 0D 43 -4,-1.6 -1,-0.4 -211,-0.3 -2,-0.3 -0.937 62.8-171.5-111.3 126.0 32.1 23.9 15.8 471 470 B L + 0 0 115 -213,-3.4 -212,-0.1 -2,-0.5 -1,-0.1 0.538 47.2 109.1 -97.8 -14.8 31.4 23.4 12.1 472 471 B G S S- 0 0 10 -214,-0.7 -2,-0.1 -217,-0.1 2,-0.1 -0.372 72.6-101.4 -67.5 158.2 27.7 24.2 11.8 473 472 B P - 0 0 121 0, 0.0 2,-0.4 0, 0.0 -17,-0.2 -0.242 26.8-130.0 -89.8 165.9 26.6 27.4 10.0 474 473 B A - 0 0 38 -19,-0.1 -17,-0.2 -2,-0.1 24,-0.1 -0.929 10.8-134.0-126.9 126.7 25.6 30.7 11.4 475 474 B S B -p 457 0F 22 -19,-2.0 -17,-2.1 -2,-0.4 22,-0.0 -0.392 43.7 -81.7 -76.3 157.2 22.5 32.8 10.6 476 475 B P > - 0 0 56 0, 0.0 4,-1.7 0, 0.0 5,-0.1 -0.307 21.8-137.7 -64.1 142.6 22.9 36.6 10.1 477 476 B K H > S+ 0 0 56 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.799 97.6 63.3 -50.5 -41.7 23.1 39.3 12.9 478 477 B E H > S+ 0 0 81 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.933 111.5 30.4 -70.1 -46.9 20.8 41.7 11.0 479 478 B E H > S+ 0 0 96 2,-0.2 4,-3.7 1,-0.2 5,-0.3 0.799 112.0 64.4 -84.3 -28.3 17.7 39.7 10.9 480 479 B C H X S+ 0 0 0 -4,-1.7 4,-2.5 1,-0.2 -2,-0.2 0.969 106.4 47.5 -48.5 -50.3 18.4 37.9 14.2 481 480 B A H X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.951 112.8 49.3 -58.0 -44.1 18.1 41.4 15.6 482 481 B L H X S+ 0 0 37 -4,-1.3 4,-2.7 1,-0.2 -2,-0.2 0.940 108.1 50.0 -67.8 -45.8 14.9 41.9 13.7 483 482 B E H X S+ 0 0 58 -4,-3.7 4,-3.0 2,-0.2 5,-0.4 0.935 109.0 55.3 -54.4 -48.9 13.2 38.7 14.7 484 483 B I H X S+ 0 0 0 -4,-2.5 4,-2.1 -5,-0.3 5,-0.3 0.979 110.4 44.3 -44.6 -66.0 14.1 39.6 18.4 485 484 B I H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.917 114.0 52.0 -40.5 -51.0 12.3 43.0 18.0 486 485 B K H X S+ 0 0 63 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.947 111.4 43.1 -61.0 -49.8 9.3 41.3 16.2 487 486 B G H <>S+ 0 0 1 -4,-3.0 5,-2.5 1,-0.2 -1,-0.2 0.780 114.7 50.2 -73.9 -27.7 8.6 38.6 18.8 488 487 B T H ><5S+ 0 0 0 -4,-2.1 3,-0.9 -5,-0.4 -1,-0.2 0.852 111.7 47.5 -70.9 -37.5 9.0 40.9 21.7 489 488 B A H 3<5S+ 0 0 23 -4,-2.4 -2,-0.2 -5,-0.3 -3,-0.2 0.867 108.6 54.9 -73.5 -31.9 6.6 43.5 20.2 490 489 B L T 3<5S- 0 0 65 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.1 0.211 113.0-125.7 -86.6 15.1 4.1 40.7 19.4 491 490 B R T < 5 + 0 0 99 -3,-0.9 -3,-0.2 1,-0.2 -42,-0.2 0.781 48.5 170.8 51.7 38.8 4.3 39.9 23.1 492 491 B Q < - 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0 0 115 0, 0.0 2,-0.3 0, 0.0 -17,-0.3 -0.303 36.6-139.9 -77.8 155.7 9.9 19.6 -2.7 1002 999 D A - 0 0 47 -19,-0.1 -17,-0.3 -2,-0.1 -18,-0.1 -0.812 10.7-139.3-104.8 157.1 10.7 16.1 -4.1 1003 1000 D S B -f 985 0L 16 -19,-1.8 -17,-2.4 -2,-0.3 2,-0.4 -0.741 34.6 -90.4-109.7 154.9 13.7 14.0 -3.3 1004 1001 D P >> - 0 0 64 0, 0.0 4,-1.7 0, 0.0 3,-0.8 -0.665 24.4-145.0 -77.8 126.7 15.6 11.9 -6.0 1005 1002 D K H 3> S+ 0 0 46 -2,-0.4 4,-2.9 1,-0.3 5,-0.1 0.609 94.1 60.7 -63.6 -29.3 14.6 8.3 -6.5 1006 1003 D E H 3> S+ 0 0 101 2,-0.2 4,-1.8 1,-0.2 -1,-0.3 0.947 110.9 40.6 -66.4 -45.1 18.0 6.9 -7.3 1007 1004 D E H <> S+ 0 0 108 -3,-0.8 4,-2.7 2,-0.2 -2,-0.2 0.914 115.9 53.3 -64.9 -43.0 19.3 7.9 -3.8 1008 1005 D C H X S+ 0 0 0 -4,-1.7 4,-2.0 1,-0.2 -2,-0.2 0.902 107.9 49.2 -61.3 -45.0 15.9 6.8 -2.3 1009 1006 D A H X S+ 0 0 0 -4,-2.9 4,-1.5 1,-0.2 -1,-0.2 0.901 113.1 47.2 -61.1 -39.6 16.2 3.4 -3.9 1010 1007 D L H X S+ 0 0 43 -4,-1.8 4,-2.4 2,-0.2 5,-0.2 0.878 109.7 53.6 -70.6 -33.2 19.8 3.0 -2.6 1011 1008 D E H X S+ 0 0 58 -4,-2.7 4,-2.4 1,-0.2 5,-0.2 0.919 104.8 54.7 -72.0 -41.6 18.7 4.2 1.0 1012 1009 D I H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.929 111.7 43.7 -49.2 -55.9 16.0 1.6 1.1 1013 1010 D I H X S+ 0 0 0 -4,-1.5 4,-3.4 1,-0.2 5,-0.2 0.978 115.2 47.2 -60.9 -59.6 18.5 -1.3 0.4 1014 1011 D K H X S+ 0 0 59 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.896 112.3 51.8 -38.4 -48.1 21.2 0.0 2.7 1015 1012 D G H <>S+ 0 0 1 -4,-2.4 5,-2.4 -5,-0.2 -1,-0.2 0.908 116.1 39.2 -65.3 -42.8 18.6 0.4 5.4 1016 1013 D T H ><5S+ 0 0 0 -4,-2.3 3,-1.3 3,-0.2 -1,-0.2 0.853 112.4 56.0 -73.5 -42.2 17.3 -3.1 5.0 1017 1014 D A H 3<5S+ 0 0 22 -4,-3.4 -2,-0.2 1,-0.3 -1,-0.2 0.897 106.8 49.9 -56.3 -53.1 20.8 -4.5 4.5 1018 1015 D L T 3<5S- 0 0 69 -4,-2.7 -1,-0.3 -5,-0.2 -2,-0.2 0.303 114.2-122.0 -65.7 3.5 21.9 -3.1 7.9 1019 1016 D R T < 5 + 0 0 93 -3,-1.3 -3,-0.2 -5,-0.1 -42,-0.2 0.891 47.8 174.0 55.9 42.8 18.8 -4.6 9.4 1020 1017 D Q < - 0 0 78 -5,-2.4 -1,-0.1 1,-0.1 -43,-0.1 -0.372 38.3-134.3 -78.0 157.6 17.3 -1.3 10.8 1021 1018 D D S S+ 0 0 81 1,-0.2 -42,-1.9 -43,-0.2 2,-0.3 0.931 89.5 10.1 -72.6 -45.3 13.8 -0.9 12.4 1022 1019 D E E -e 979 0K 40 -44,-0.2 2,-0.3 -7,-0.0 -42,-0.2 -0.889 58.5-164.7-133.7 160.2 13.0 2.2 10.4 1023 1020 D M E -e 980 0K 11 -44,-2.1 -42,-2.9 -2,-0.3 2,-0.4 -0.831 11.0-169.6-151.3 107.6 14.5 4.1 7.5 1024 1021 D Y E +e 981 0K 50 -2,-0.3 2,-0.4 -44,-0.2 -42,-0.2 -0.860 14.3 170.7 -96.5 127.8 13.3 7.5 6.8 1025 1022 D Y E +e 982 0K 25 -44,-2.7 -42,-1.9 -2,-0.4 -22,-0.1 -0.838 25.9 139.2-138.1 101.8 14.2 9.3 3.6 1026 1023 D V S S- 0 0 25 2,-0.4 -42,-0.2 -2,-0.4 3,-0.1 0.404 73.0 -91.1-135.2 0.5 12.1 12.4 3.6 1027 1024 D G S S+ 0 0 65 1,-0.2 2,-0.3 -44,-0.1 3,-0.1 0.521 103.0 65.7 103.6 10.0 13.9 15.6 2.4 1028 1025 D S - 0 0 34 1,-0.1 -2,-0.4 2,-0.0 -1,-0.2 -0.971 64.5-148.2-167.1 134.2 15.1 16.5 5.8 1029 1026 D R S S+ 0 0 204 -2,-0.3 4,-0.2 2,-0.1 -1,-0.1 0.629 104.3 47.3 -77.5 -18.3 17.4 15.3 8.5 1030 1027 D W S >> S+ 0 0 56 2,-0.1 3,-1.6 1,-0.1 4,-0.6 0.862 94.6 70.3 -96.3 -37.4 15.2 16.8 11.2 1031 1028 D V H >> S+ 0 0 9 1,-0.3 3,-1.0 2,-0.2 4,-0.8 0.836 85.1 68.0 -52.2 -38.8 11.7 15.7 10.1 1032 1029 D P H >> S+ 0 0 19 0, 0.0 4,-2.1 0, 0.0 3,-1.2 0.894 95.5 58.8 -50.5 -32.9 12.2 11.9 11.0 1033 1030 D Y H <4 S+ 0 0 81 -3,-1.6 -2,-0.2 1,-0.3 4,-0.2 0.854 107.1 46.1 -70.8 -30.0 12.3 13.0 14.7 1034 1031 D L H << S+ 0 0 11 -3,-1.0 -1,-0.3 -4,-0.6 -255,-0.2 0.409 118.7 41.7 -84.8 -0.9 8.8 14.5 14.4 1035 1032 D L H << S+ 0 0 4 -3,-1.2 -2,-0.2 -4,-0.8 -1,-0.1 0.546 100.1 70.0-116.1 -16.0 7.5 11.4 12.6 1036 1033 D G S < S- 0 0 17 -4,-2.1 5,-0.2 -5,-0.3 -3,-0.1 0.469 91.7-140.4 -85.5 -2.9 9.2 8.6 14.7 1037 1034 D N > - 0 0 14 -4,-0.2 4,-1.3 -5,-0.1 3,-0.3 0.907 14.5-160.7 44.7 82.3 6.9 9.4 17.7 1038 1035 D P H > S+ 0 0 42 0, 0.0 4,-3.1 0, 0.0 3,-0.3 0.876 90.4 59.9 -52.5 -47.6 9.2 9.2 20.9 1039 1036 D G H > S+ 0 0 12 1,-0.2 4,-3.7 2,-0.2 5,-0.2 0.858 103.4 52.9 -44.4 -46.1 6.1 8.7 23.1 1040 1037 D R H > S+ 0 0 20 -3,-0.3 4,-1.4 2,-0.2 -1,-0.2 0.874 110.4 45.1 -62.6 -41.2 5.3 5.6 21.1 1041 1038 D K H X S+ 0 0 125 -4,-1.3 4,-2.0 -3,-0.3 -2,-0.2 0.882 113.9 50.4 -72.5 -47.2 8.8 4.1 21.7 1042 1039 D I H X S+ 0 0 33 -4,-3.1 4,-2.4 1,-0.2 -2,-0.2 0.974 112.5 45.6 -50.2 -54.8 8.7 5.0 25.3 1043 1040 D M H X S+ 0 0 6 -4,-3.7 4,-1.3 2,-0.2 -2,-0.2 0.776 112.0 52.7 -67.5 -23.6 5.1 3.3 25.8 1044 1041 D E H X S+ 0 0 47 -4,-1.4 4,-0.8 2,-0.2 -1,-0.2 0.946 110.9 47.3 -75.2 -47.9 6.2 0.1 23.8 1045 1042 D F H >X S+ 0 0 152 -4,-2.0 3,-1.2 1,-0.2 4,-0.7 0.937 111.3 49.1 -46.1 -58.9 9.2 -0.3 26.0 1046 1043 D L H >X S+ 0 0 15 -4,-2.4 4,-1.1 1,-0.3 3,-0.5 0.844 105.2 59.8 -66.7 -21.2 7.2 0.2 29.2 1047 1044 D S H 3< S+ 0 0 3 -4,-1.3 4,-0.4 1,-0.3 -1,-0.3 0.612 85.6 73.7 -87.5 -16.9 4.5 -2.3 28.2 1048 1045 D A H X< S+ 0 0 44 -3,-1.2 3,-1.8 -4,-0.8 -1,-0.3 0.942 97.9 51.6 -53.6 -44.7 7.0 -5.2 27.9 1049 1046 D A H << S+ 0 0 83 -4,-0.7 -2,-0.2 -3,-0.5 -1,-0.1 0.971 99.0 63.7 -61.5 -46.6 7.0 -5.1 31.8 1050 1047 D E T 3< S+ 0 0 44 -4,-1.1 -315,-0.8 -316,-0.1 -314,-0.3 0.633 92.4 81.2 -49.1 -12.1 3.2 -5.2 31.8 1051 1048 D Y B < S-X 734 0I 32 -3,-1.8 2,-1.1 -4,-0.4 -317,-0.2 -0.684 80.0-129.4 -97.5 149.2 3.4 -8.8 30.2 1052 1049 D N > - 0 0 58 -319,-2.8 3,-1.6 -2,-0.3 -3,-0.1 -0.749 28.4-176.0 -96.9 92.6 4.0 -12.0 32.1 1053 1050 D W T 3 S+ 0 0 95 -2,-1.1 -1,-0.2 1,-0.3 -4,-0.0 0.787 73.8 70.8 -69.7 -30.6 6.8 -13.4 29.9 1054 1051 D D T 3 0 0 160 1,-0.1 -1,-0.3 0, 0.0 -2,-0.1 0.658 360.0 360.0 -63.7 -9.6 7.2 -16.8 31.7 1055 1052 D N < 0 0 117 -3,-1.6 -2,-0.2 -322,-0.1 -322,-0.1 0.494 360.0 360.0-102.7 360.0 3.9 -17.3 30.0