==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 09-AUG-00 1FK8 . COMPND 2 MOLECULE: 3ALPHA-HYDROXYSTEROID DEHYDROGENASE/CARBONYL . SOURCE 2 ORGANISM_SCIENTIFIC: COMAMONAS TESTOSTERONI; . AUTHOR C.GRIMM,R.FICNER,E.MASER,G.KLEBE,K.REUTER . 476 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18567.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 353 74.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 62 13.0 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 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 69 14.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 160 33.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 2.9 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 4 2 1 1 2 0 2 3 0 1 2 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 2 0 6 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 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 1 A M 0 0 213 0, 0.0 2,-0.7 0, 0.0 25,-0.1 0.000 360.0 360.0 360.0 -64.9 4.4 26.4 -26.4 2 2 A S - 0 0 26 23,-0.3 25,-3.0 61,-0.1 2,-0.4 -0.852 360.0-168.0-114.8 96.1 3.1 23.1 -24.8 3 3 A I E -a 27 0A 19 -2,-0.7 61,-2.4 23,-0.2 62,-1.5 -0.694 12.8-177.3 -92.5 130.6 1.4 21.1 -27.6 4 4 A I E -ab 28 65A 4 23,-2.5 25,-2.0 -2,-0.4 2,-0.4 -0.994 17.5-147.0-123.1 122.8 -0.7 18.0 -27.0 5 5 A V E -ab 29 66A 0 60,-2.6 62,-2.9 -2,-0.5 2,-0.4 -0.769 15.9-169.9 -91.9 132.1 -2.0 16.2 -30.0 6 6 A I E > -ab 30 67A 0 23,-2.1 25,-2.6 -2,-0.4 3,-0.6 -0.956 8.9-160.6-129.0 118.0 -5.4 14.5 -29.7 7 7 A S E 3 S+ab 31 68A 2 60,-2.2 62,-1.6 -2,-0.4 25,-0.2 -0.655 83.2 25.4 -89.8 150.4 -7.0 12.1 -32.1 8 8 A G T > S+ 0 0 10 23,-2.1 3,-0.6 -2,-0.3 6,-0.4 0.816 79.4 148.7 66.9 31.0 -10.8 11.6 -31.9 9 9 A C T < + 0 0 5 22,-1.1 9,-0.1 -3,-0.6 23,-0.1 0.598 46.8 78.4 -72.5 -15.3 -11.0 15.1 -30.3 10 10 A A T 3 S+ 0 0 19 21,-0.2 2,-0.2 24,-0.1 -1,-0.2 0.834 102.9 0.6 -67.3 -36.8 -14.5 16.0 -31.7 11 11 A T S X> S+ 0 0 79 -3,-0.6 4,-1.6 179,-0.0 3,-0.6 -0.822 103.8 9.8-143.2-178.6 -16.6 14.0 -29.3 12 12 A G H 3> S- 0 0 20 -2,-0.2 4,-2.2 1,-0.2 5,-0.2 -0.050 120.2 -8.1 48.5-137.4 -16.7 11.7 -26.3 13 13 A I H 3> S+ 0 0 24 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.889 134.9 56.2 -59.7 -42.1 -13.5 11.1 -24.3 14 14 A G H <> S+ 0 0 1 -3,-0.6 4,-2.2 -6,-0.4 -1,-0.2 0.909 110.5 44.8 -57.3 -44.2 -11.3 12.9 -26.8 15 15 A A H X S+ 0 0 35 -4,-1.6 4,-2.0 -7,-0.4 -1,-0.2 0.886 114.2 48.6 -67.3 -40.9 -13.5 16.0 -26.5 16 16 A A H X S+ 0 0 11 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.845 112.6 49.6 -67.9 -33.7 -13.6 15.8 -22.7 17 17 A T H X S+ 0 0 1 -4,-2.7 4,-2.8 2,-0.2 5,-0.3 0.881 107.6 53.0 -72.0 -40.5 -9.8 15.3 -22.6 18 18 A R H X S+ 0 0 45 -4,-2.2 4,-2.3 -5,-0.2 5,-0.2 0.928 109.0 51.0 -59.6 -44.6 -9.2 18.3 -24.9 19 19 A K H X S+ 0 0 126 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.921 113.4 43.9 -58.6 -47.5 -11.3 20.4 -22.5 20 20 A V H X S+ 0 0 45 -4,-1.8 4,-1.2 2,-0.2 -2,-0.2 0.917 115.4 45.8 -66.6 -46.4 -9.3 19.2 -19.4 21 21 A L H <>S+ 0 0 5 -4,-2.8 5,-2.2 1,-0.2 -1,-0.2 0.829 111.0 54.3 -68.4 -31.1 -5.8 19.5 -21.0 22 22 A E H ><5S+ 0 0 86 -4,-2.3 3,-1.6 -5,-0.3 -1,-0.2 0.887 106.1 51.8 -68.4 -37.3 -6.7 23.0 -22.4 23 23 A A H 3<5S+ 0 0 91 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.806 102.3 61.2 -67.3 -27.7 -7.7 24.1 -18.9 24 24 A A T 3<5S- 0 0 68 -4,-1.2 -1,-0.3 -5,-0.1 -2,-0.2 0.368 128.4 -99.9 -79.6 5.6 -4.3 22.9 -17.8 25 25 A G T < 5S+ 0 0 64 -3,-1.6 -23,-0.3 1,-0.3 -3,-0.2 0.482 75.2 142.7 92.5 3.5 -2.7 25.4 -20.2 26 26 A H < - 0 0 54 -5,-2.2 2,-0.6 -8,-0.1 -1,-0.3 -0.492 49.9-130.3 -82.9 148.0 -1.9 23.1 -23.1 27 27 A Q E -a 3 0A 97 -25,-3.0 -23,-2.5 -2,-0.2 2,-0.4 -0.842 30.4-145.8 -93.1 124.5 -2.3 24.0 -26.8 28 28 A I E -a 4 0A 8 -2,-0.6 2,-0.6 -25,-0.2 -23,-0.2 -0.803 19.6-169.2-102.6 134.9 -4.2 21.3 -28.5 29 29 A V E -a 5 0A 4 -25,-2.0 -23,-2.1 -2,-0.4 2,-0.2 -0.941 25.3-162.1-116.2 102.0 -3.8 20.0 -32.1 30 30 A G E -a 6 0A 0 -2,-0.6 8,-2.2 -25,-0.2 2,-0.4 -0.546 13.6-157.4 -91.0 155.3 -6.8 17.8 -32.7 31 31 A I E +ac 7 38A 0 -25,-2.6 -23,-2.1 -2,-0.2 -22,-1.1 -0.995 37.7 114.7-130.6 123.0 -7.3 15.2 -35.3 32 32 A D E S- c 0 39A 26 6,-1.9 8,-2.5 -2,-0.4 4,-0.1 -0.970 74.9 -89.4-171.8 175.2 -10.8 14.2 -36.4 33 33 A I S S+ 0 0 103 -2,-0.3 2,-0.3 6,-0.2 6,-0.1 0.591 109.0 1.2 -75.1 -10.8 -13.4 14.1 -39.2 34 34 A R S S+ 0 0 121 4,-0.1 -24,-0.1 6,-0.1 -1,-0.1 -0.969 117.6 35.2-165.7 165.9 -14.6 17.5 -38.0 35 35 A D S S+ 0 0 111 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.902 90.6 111.9 46.6 54.1 -14.0 20.2 -35.4 36 36 A A S S- 0 0 21 -4,-0.1 -1,-0.2 -6,-0.1 3,-0.2 -0.993 77.6-123.2-152.4 152.1 -10.3 19.7 -35.4 37 37 A E S S+ 0 0 83 -2,-0.3 2,-0.5 1,-0.2 -6,-0.2 0.802 111.7 43.0 -65.2 -28.1 -7.1 21.5 -36.4 38 38 A V E S-c 31 0A 1 -8,-2.2 -6,-1.9 -4,-0.1 2,-0.5 -0.942 81.8-154.1-123.0 107.1 -6.3 18.5 -38.6 39 39 A I E +c 32 0A 102 -2,-0.5 2,-0.3 -8,-0.2 -6,-0.2 -0.701 34.8 142.8 -82.2 123.0 -9.3 17.1 -40.5 40 40 A A - 0 0 13 -8,-2.5 2,-0.6 -2,-0.5 -6,-0.1 -0.982 48.4-142.8-163.7 149.2 -8.8 13.4 -41.3 41 41 A D > - 0 0 87 -2,-0.3 3,-0.8 -8,-0.1 10,-0.1 -0.969 17.4-162.9-113.3 112.4 -10.5 10.1 -41.6 42 42 A L T 3 + 0 0 10 -2,-0.6 6,-0.1 1,-0.2 -1,-0.1 0.287 67.1 96.8 -82.0 11.5 -8.1 7.5 -40.2 43 43 A S T 3 S+ 0 0 12 45,-0.1 2,-0.3 46,-0.1 -1,-0.2 0.677 81.0 54.2 -74.9 -17.8 -9.8 4.6 -41.8 44 44 A T S <> S- 0 0 73 -3,-0.8 4,-1.9 1,-0.1 5,-0.2 -0.895 81.3-125.2-121.1 152.5 -7.5 4.5 -44.8 45 45 A A H > S+ 0 0 42 -2,-0.3 4,-1.8 1,-0.2 5,-0.1 0.870 114.0 49.1 -56.3 -41.6 -3.7 4.4 -45.1 46 46 A E H > S+ 0 0 129 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.891 107.6 55.3 -68.0 -39.8 -3.6 7.6 -47.2 47 47 A G H > S+ 0 0 16 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.881 110.3 43.9 -60.7 -41.1 -5.8 9.4 -44.7 48 48 A R H X S+ 0 0 0 -4,-1.9 4,-3.2 2,-0.2 -1,-0.2 0.868 109.8 56.5 -71.8 -37.9 -3.5 8.6 -41.8 49 49 A K H X S+ 0 0 116 -4,-1.8 4,-2.2 1,-0.2 -2,-0.2 0.917 111.8 43.1 -58.1 -44.9 -0.4 9.5 -43.8 50 50 A Q H X S+ 0 0 97 -4,-2.2 4,-2.7 2,-0.2 -1,-0.2 0.861 113.0 51.6 -70.0 -38.1 -1.9 12.9 -44.5 51 51 A A H X S+ 0 0 0 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.915 110.6 49.7 -64.7 -42.6 -3.0 13.4 -40.9 52 52 A I H X S+ 0 0 21 -4,-3.2 4,-2.6 2,-0.2 5,-0.2 0.951 112.8 46.1 -59.8 -50.4 0.5 12.5 -39.7 53 53 A A H X S+ 0 0 50 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.921 112.4 50.5 -59.0 -46.8 2.0 15.0 -42.1 54 54 A D H < S+ 0 0 49 -4,-2.7 4,-0.5 1,-0.2 -1,-0.2 0.841 112.5 47.4 -62.0 -35.5 -0.5 17.7 -41.2 55 55 A V H >X S+ 0 0 0 -4,-2.1 3,-1.7 2,-0.2 4,-0.6 0.958 110.6 49.2 -71.0 -51.8 0.2 17.2 -37.5 56 56 A L H >< S+ 0 0 59 -4,-2.6 3,-1.2 1,-0.3 6,-0.2 0.850 102.3 62.6 -57.1 -35.8 4.0 17.3 -37.7 57 57 A A T 3< S+ 0 0 81 -4,-2.0 3,-0.4 1,-0.3 -1,-0.3 0.761 108.6 44.1 -61.3 -23.3 3.9 20.5 -39.8 58 58 A K T <4 S+ 0 0 94 -3,-1.7 -1,-0.3 -4,-0.5 -2,-0.2 0.512 114.0 50.5 -96.8 -8.7 2.3 22.0 -36.7 59 59 A C X< + 0 0 3 -3,-1.2 3,-2.1 -4,-0.6 -1,-0.2 -0.210 60.9 139.4-123.7 43.3 4.7 20.4 -34.3 60 60 A S T 3 S+ 0 0 79 -3,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.796 78.8 47.7 -57.3 -31.2 8.1 21.3 -35.8 61 61 A K T 3 S- 0 0 182 1,-0.4 -1,-0.3 -3,-0.2 2,-0.2 0.411 124.0-103.5 -90.2 2.2 9.6 22.0 -32.4 62 62 A G < - 0 0 7 -3,-2.1 -1,-0.4 -6,-0.2 2,-0.3 -0.520 32.7 -93.5 106.5-177.7 8.1 18.8 -31.0 63 63 A M - 0 0 1 37,-2.1 41,-0.4 -2,-0.2 -59,-0.2 -0.990 8.2-148.0-140.7 148.7 5.1 17.9 -28.8 64 64 A D S S+ 0 0 29 -61,-2.4 44,-1.3 -2,-0.3 2,-0.3 0.672 79.1 7.4 -89.2 -18.9 4.7 17.4 -25.1 65 65 A G E -bd 4 108A 0 -62,-1.5 -60,-2.6 42,-0.2 2,-0.4 -0.999 50.8-155.5-161.4 162.0 1.9 14.9 -25.3 66 66 A L E -bd 5 109A 1 42,-1.6 44,-2.5 -2,-0.3 2,-0.5 -0.988 7.0-176.6-143.5 128.2 -0.3 12.6 -27.4 67 67 A V E -bd 6 110A 0 -62,-2.9 -60,-2.2 -2,-0.4 2,-0.9 -0.961 10.1-161.1-129.3 112.0 -3.7 11.2 -26.7 68 68 A L E +bd 7 111A 5 42,-2.2 44,-2.4 -2,-0.5 -60,-0.1 -0.807 29.2 149.7 -97.1 100.5 -5.2 8.8 -29.3 69 69 A C + 0 0 20 -62,-1.6 -61,-0.2 -2,-0.9 -55,-0.2 0.483 26.5 122.3-108.6 -7.7 -8.9 8.6 -28.7 70 70 A A + 0 0 24 19,-0.1 2,-0.3 15,-0.1 42,-0.1 -0.321 37.5 141.9 -58.2 136.2 -10.2 7.9 -32.2 71 71 A G - 0 0 41 18,-0.0 2,-0.4 19,-0.0 11,-0.1 -0.955 40.4-143.7-173.8 155.1 -12.2 4.7 -32.3 72 72 A L - 0 0 58 10,-0.3 4,-0.1 -2,-0.3 14,-0.1 -0.977 24.2-134.8-127.1 140.2 -15.2 2.9 -33.7 73 73 A G - 0 0 30 -2,-0.4 3,-0.3 1,-0.2 9,-0.1 -0.294 33.2 -79.8 -91.2 175.6 -17.4 0.4 -31.8 74 74 A P S S+ 0 0 53 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 -0.261 115.6 45.7 -65.1 164.2 -18.9 -3.0 -32.7 75 75 A Q S S+ 0 0 164 1,-0.3 2,-0.4 2,-0.1 -2,-0.1 0.879 76.7 150.3 67.5 32.0 -21.9 -2.8 -34.9 76 76 A T - 0 0 30 -3,-0.3 -1,-0.3 1,-0.2 3,-0.2 -0.826 56.0-119.3 -92.2 140.2 -20.1 -0.2 -37.1 77 77 A K S S+ 0 0 191 -2,-0.4 2,-1.0 1,-0.2 -1,-0.2 0.946 103.5 34.9 -47.1 -67.9 -21.6 -0.6 -40.6 78 78 A V S >> S- 0 0 45 1,-0.2 3,-2.0 -3,-0.1 4,-0.6 -0.786 74.4-162.6 -96.2 101.0 -18.3 -1.5 -42.4 79 79 A L H >> S+ 0 0 29 -2,-1.0 4,-1.4 1,-0.3 3,-0.7 0.740 82.5 73.1 -52.2 -27.6 -16.4 -3.6 -39.8 80 80 A G H 3> S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.846 92.6 55.9 -59.2 -32.8 -13.2 -3.1 -41.8 81 81 A N H <> S+ 0 0 39 -3,-2.0 4,-2.9 2,-0.2 5,-0.4 0.799 98.2 61.1 -70.1 -29.3 -13.1 0.5 -40.6 82 82 A V H S+ 0 0 0 -4,-1.4 4,-1.9 3,-0.2 5,-0.8 0.915 115.7 48.9 -65.1 -45.2 -9.9 -2.4 -37.5 84 84 A S H <>S+ 0 0 0 -4,-2.1 5,-2.2 3,-0.2 6,-0.2 0.946 119.9 34.1 -61.7 -52.1 -8.4 0.4 -39.5 85 85 A V H <5S+ 0 0 13 -4,-2.9 -2,-0.2 3,-0.2 5,-0.2 0.967 119.8 48.3 -69.9 -52.6 -9.2 3.3 -37.1 86 86 A N H <5S+ 0 0 1 -4,-2.2 -3,-0.2 -5,-0.4 -2,-0.2 0.840 129.0 18.5 -58.2 -38.8 -8.9 1.4 -33.8 87 87 A Y T >X5S+ 0 0 10 -4,-1.9 4,-3.1 -5,-0.3 3,-1.7 0.879 134.6 28.4 -97.5 -74.2 -5.5 -0.2 -34.6 88 88 A F H 3>XS+ 0 0 8 -5,-0.8 4,-1.9 1,-0.3 5,-0.6 0.839 113.6 64.7 -59.2 -35.1 -3.6 1.5 -37.5 89 89 A G H 345S+ 0 0 8 -3,-1.7 4,-2.7 -6,-0.2 5,-0.3 0.841 120.2 48.4-102.4 -51.8 -3.4 4.5 -33.4 91 91 A T H X5S+ 0 0 11 -4,-3.1 4,-2.2 1,-0.2 5,-0.2 0.903 112.7 46.5 -60.1 -47.2 -0.2 2.6 -34.2 92 92 A E H X5S+ 0 0 54 -4,-1.9 4,-1.8 -5,-0.2 -1,-0.2 0.902 115.1 48.2 -66.3 -37.1 0.8 4.6 -37.2 93 93 A L H > S+ 0 0 78 0, 0.0 4,-0.6 0, 0.0 -1,-0.2 0.907 112.3 43.5 -55.3 -40.9 10.4 11.7 -32.7 100 100 A A H >4 S+ 0 0 6 -4,-0.3 -37,-2.1 -3,-0.3 3,-0.6 0.849 112.5 53.5 -71.8 -34.8 8.4 14.9 -32.0 101 101 A L H >< S+ 0 0 0 -4,-2.3 3,-2.3 1,-0.2 -1,-0.2 0.895 99.3 62.4 -65.8 -41.4 7.5 13.5 -28.5 102 102 A K H 3< S+ 0 0 109 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.759 101.8 52.9 -57.0 -25.2 11.2 12.9 -27.7 103 103 A K T << S+ 0 0 127 -4,-0.6 -1,-0.3 -3,-0.6 -2,-0.2 0.410 94.8 96.6 -92.4 2.2 11.7 16.7 -28.0 104 104 A G S < S- 0 0 18 -3,-2.3 2,-0.6 -41,-0.4 -40,-0.2 -0.296 83.0 -96.8 -88.8 174.4 9.0 17.6 -25.6 105 105 A H S S- 0 0 130 1,-0.3 3,-0.1 -2,-0.1 -1,-0.1 -0.819 101.4 -19.6 -94.3 115.6 9.0 18.5 -21.9 106 106 A Q S S- 0 0 118 -2,-0.6 -1,-0.3 1,-0.1 72,-0.1 0.934 93.8-155.3 51.9 48.7 8.1 15.5 -19.7 107 107 A P + 0 0 15 0, 0.0 72,-1.5 0, 0.0 2,-0.3 -0.230 22.3 166.8 -59.0 138.2 6.5 13.9 -22.8 108 108 A A E -de 65 179A 2 -44,-1.3 -42,-1.6 70,-0.2 2,-0.3 -0.985 18.5-157.5-150.5 156.4 3.8 11.3 -22.4 109 109 A A E -de 66 180A 1 70,-2.0 72,-2.1 -2,-0.3 2,-0.4 -0.990 0.5-163.3-139.0 146.7 1.2 9.5 -24.4 110 110 A V E -de 67 181A 0 -44,-2.5 -42,-2.2 -2,-0.3 2,-0.5 -0.999 5.6-161.7-131.7 129.8 -2.1 7.8 -23.6 111 111 A V E -de 68 182A 2 70,-2.5 72,-1.7 -2,-0.4 2,-0.9 -0.947 17.8-133.8-112.3 128.8 -3.8 5.4 -26.0 112 112 A I E + e 0 183A 14 -44,-2.4 72,-0.2 -2,-0.5 70,-0.1 -0.735 39.0 156.1 -86.9 110.5 -7.4 4.6 -25.5 113 113 A S - 0 0 1 70,-2.7 2,-0.3 -2,-0.9 71,-0.1 0.369 34.5-116.2 -97.6-124.8 -8.0 0.9 -25.7 114 114 A S > - 0 0 6 45,-0.2 3,-2.5 70,-0.2 4,-0.2 -0.919 20.5-108.9-177.3 151.1 -10.9 -0.9 -24.1 115 115 A V G > S+ 0 0 25 70,-2.0 3,-2.1 1,-0.3 4,-0.2 0.796 115.8 73.8 -58.6 -24.0 -11.8 -3.4 -21.4 116 116 A A G > S+ 0 0 8 69,-0.3 3,-2.0 1,-0.3 -1,-0.3 0.751 75.2 79.1 -60.2 -23.5 -12.7 -5.5 -24.4 117 117 A S G < S+ 0 0 0 -3,-2.5 3,-0.4 1,-0.3 -1,-0.3 0.772 95.5 46.6 -56.2 -25.3 -8.9 -5.8 -25.0 118 118 A A G < S+ 0 0 12 -3,-2.1 -1,-0.3 -4,-0.2 -2,-0.2 0.382 88.3 82.2-100.2 3.5 -9.0 -8.5 -22.3 119 119 A H S < S+ 0 0 128 -3,-2.0 2,-0.3 -4,-0.2 -1,-0.2 0.468 98.8 42.6 -84.5 0.5 -12.0 -10.5 -23.5 120 120 A L S S- 0 0 53 -3,-0.4 2,-0.4 -4,-0.3 5,-0.1 -0.995 83.9-122.7-145.5 143.9 -9.7 -12.2 -26.0 121 121 A A > - 0 0 49 -2,-0.3 3,-1.4 1,-0.1 357,-0.1 -0.724 20.6-132.3 -88.5 138.8 -6.1 -13.7 -25.7 122 122 A F G > S+ 0 0 19 355,-0.5 3,-1.7 -2,-0.4 6,-0.2 0.886 107.3 54.9 -56.8 -41.9 -3.6 -12.2 -28.1 123 123 A D G 3 S+ 0 0 123 1,-0.3 -1,-0.3 354,-0.1 6,-0.1 0.649 115.7 39.4 -68.3 -14.0 -2.3 -15.7 -29.1 124 124 A K G < S+ 0 0 147 -3,-1.4 -1,-0.3 4,-0.0 -2,-0.2 0.098 87.3 118.4-119.0 18.0 -5.9 -16.6 -30.0 125 125 A N X - 0 0 7 -3,-1.7 3,-1.2 1,-0.1 4,-0.5 -0.793 57.2-150.9 -89.9 110.0 -6.7 -13.3 -31.5 126 126 A P T 3 S+ 0 0 71 0, 0.0 4,-0.3 0, 0.0 -1,-0.1 0.694 96.8 45.9 -52.8 -22.3 -7.6 -13.9 -35.2 127 127 A L T 3> S+ 0 0 0 26,-0.1 4,-3.0 2,-0.1 5,-0.3 0.678 87.1 94.3 -96.0 -20.6 -6.4 -10.4 -36.1 128 128 A A H <> S+ 0 0 0 -3,-1.2 4,-3.1 1,-0.2 5,-0.3 0.859 88.0 37.7 -37.0 -69.7 -3.1 -10.4 -34.1 129 129 A L H > S+ 0 0 122 -4,-0.5 4,-1.6 1,-0.2 6,-0.2 0.901 118.3 49.5 -57.7 -43.7 -0.6 -11.6 -36.7 130 130 A A H 4>S+ 0 0 6 -4,-0.3 5,-2.8 2,-0.2 4,-0.3 0.953 116.2 41.9 -61.0 -49.7 -2.2 -9.6 -39.6 131 131 A L H ><5S+ 0 0 3 -4,-3.0 3,-1.7 1,-0.2 -2,-0.2 0.939 114.0 51.3 -62.9 -47.2 -2.3 -6.4 -37.6 132 132 A E H 3<5S+ 0 0 84 -4,-3.1 -1,-0.2 -5,-0.3 -2,-0.2 0.791 112.1 48.9 -61.3 -26.9 1.1 -6.9 -36.1 133 133 A A T 3<5S- 0 0 62 -4,-1.6 -1,-0.3 -5,-0.3 -2,-0.2 0.441 114.9-117.1 -92.7 -1.0 2.4 -7.4 -39.7 134 134 A G T < 5 + 0 0 45 -3,-1.7 2,-1.7 -4,-0.3 -3,-0.2 0.685 63.2 149.1 74.0 18.2 0.6 -4.3 -40.9 135 135 A E >< + 0 0 77 -5,-2.8 4,-2.4 -6,-0.2 -1,-0.2 -0.552 12.0 165.7 -86.7 75.4 -1.6 -6.3 -43.3 136 136 A E H > S+ 0 0 29 -2,-1.7 4,-2.7 1,-0.2 5,-0.3 0.909 70.9 51.4 -58.5 -50.3 -4.6 -4.0 -43.2 137 137 A A H > S+ 0 0 81 1,-0.2 4,-1.9 -3,-0.2 -1,-0.2 0.930 113.1 47.7 -55.1 -45.1 -6.5 -5.4 -46.2 138 138 A K H > S+ 0 0 111 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.920 111.6 48.8 -62.8 -46.6 -6.1 -8.9 -44.7 139 139 A A H X S+ 0 0 0 -4,-2.4 4,-1.5 1,-0.2 -1,-0.2 0.909 111.3 50.1 -60.8 -43.3 -7.3 -7.8 -41.2 140 140 A R H X S+ 0 0 52 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.867 109.6 52.0 -63.9 -36.2 -10.3 -6.0 -42.6 141 141 A A H X S+ 0 0 31 -4,-1.9 4,-1.1 -5,-0.3 -1,-0.2 0.877 102.9 59.4 -67.9 -37.8 -11.2 -9.1 -44.6 142 142 A I H < S+ 0 0 53 -4,-2.0 3,-0.3 1,-0.2 -1,-0.2 0.927 111.8 38.3 -57.7 -46.2 -11.1 -11.3 -41.5 143 143 A V H >X S+ 0 0 1 -4,-1.5 3,-0.7 1,-0.2 4,-0.5 0.834 113.6 54.4 -76.5 -30.9 -13.8 -9.3 -39.7 144 144 A E H 3< S+ 0 0 94 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.619 114.4 42.6 -77.8 -10.2 -15.9 -8.7 -42.8 145 145 A H T 3< S+ 0 0 155 -4,-1.1 -1,-0.2 -3,-0.3 -2,-0.2 0.309 92.5 86.9-112.3 3.2 -16.0 -12.5 -43.4 146 146 A A T <4 - 0 0 30 -3,-0.7 2,-0.4 1,-0.2 -2,-0.2 0.842 65.3-178.4 -72.3 -35.0 -16.5 -13.3 -39.7 147 147 A G >< + 0 0 53 -4,-0.5 3,-2.1 2,-0.0 4,-0.3 -0.593 53.9 62.0 74.8-124.7 -20.3 -13.1 -40.0 148 148 A E T 3 S- 0 0 160 -2,-0.4 0, 0.0 1,-0.3 0, 0.0 -0.064 132.5 -14.6 -39.2 119.3 -21.9 -13.7 -36.6 149 149 A Q T 3> S+ 0 0 141 1,-0.1 4,-1.6 3,-0.1 -1,-0.3 0.857 80.7 151.8 46.1 45.2 -20.6 -11.0 -34.3 150 150 A G H <> S+ 0 0 2 -3,-2.1 4,-2.8 1,-0.2 5,-0.2 0.744 71.8 65.0 -70.6 -20.2 -17.8 -10.0 -36.6 151 151 A G H > S+ 0 0 10 -4,-0.3 4,-2.7 2,-0.2 -1,-0.2 0.935 100.4 45.7 -65.8 -47.4 -18.4 -6.6 -34.9 152 152 A N H >>S+ 0 0 84 2,-0.2 4,-2.8 1,-0.2 5,-0.6 0.876 114.0 50.5 -63.7 -37.3 -17.3 -8.0 -31.5 153 153 A L H X5S+ 0 0 34 -4,-1.6 4,-2.3 2,-0.2 5,-0.3 0.945 112.1 46.3 -65.2 -48.0 -14.3 -9.6 -33.2 154 154 A A H X5S+ 0 0 0 -4,-2.8 4,-1.7 3,-0.2 -2,-0.2 0.900 120.1 40.6 -61.2 -41.6 -13.3 -6.4 -34.9 155 155 A Y H X5S+ 0 0 55 -4,-2.7 4,-2.3 2,-0.2 5,-0.2 0.985 123.7 34.1 -72.8 -60.0 -13.7 -4.4 -31.7 156 156 A A H X5S+ 0 0 16 -4,-2.8 4,-2.8 1,-0.2 5,-0.2 0.886 120.1 53.9 -62.8 -38.4 -12.2 -6.7 -29.1 157 157 A G H X< S+ 0 0 0 -4,-2.3 3,-0.9 1,-0.2 4,-0.3 0.929 112.3 49.8 -65.5 -44.8 1.4 -0.4 -26.9 167 167 A R H >< S+ 0 0 7 -4,-2.4 3,-1.3 1,-0.3 4,-0.3 0.868 106.6 54.5 -63.7 -36.2 3.0 -2.8 -24.4 168 168 A K H 3< S+ 0 0 96 -4,-2.7 4,-0.3 1,-0.3 -1,-0.3 0.664 105.1 56.3 -71.9 -14.3 5.6 -4.1 -26.9 169 169 A R T S+ 0 0 0 -3,-1.3 4,-2.5 -4,-0.3 5,-0.2 0.904 82.8 49.2 -55.4 -46.7 7.4 0.1 -23.8 171 171 A A H > S+ 0 0 33 -4,-0.3 4,-2.5 -3,-0.2 -1,-0.2 0.958 115.1 42.8 -60.4 -51.4 11.1 -0.6 -24.1 172 172 A A H > S+ 0 0 52 -4,-0.3 4,-1.7 1,-0.2 -2,-0.2 0.906 117.6 44.8 -62.3 -45.1 11.7 1.7 -27.1 173 173 A W H <>S+ 0 0 5 -4,-2.6 5,-3.0 2,-0.2 4,-0.4 0.861 111.8 53.4 -69.0 -35.5 9.6 4.5 -25.7 174 174 A G H ><5S+ 0 0 4 -4,-2.5 3,-1.5 -5,-0.3 -2,-0.2 0.936 108.5 49.7 -63.2 -45.0 11.1 4.2 -22.3 175 175 A E H 3<5S+ 0 0 158 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.872 108.9 53.1 -60.4 -36.2 14.5 4.5 -23.9 176 176 A A T 3<5S- 0 0 20 -4,-1.7 -1,-0.3 2,-0.2 -2,-0.2 0.522 117.6-116.6 -76.7 -5.2 13.3 7.6 -25.8 177 177 A G T < 5S+ 0 0 39 -3,-1.5 2,-0.5 -4,-0.4 -3,-0.2 0.738 74.9 125.0 77.1 23.3 12.2 9.0 -22.4 178 178 A V < - 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0 0 57 10,-0.3 4,-0.1 -2,-0.3 14,-0.1 -0.989 24.5-136.6-129.1 136.5 7.5 -7.3 4.3 315 1073 B G - 0 0 31 -2,-0.4 9,-0.1 1,-0.2 3,-0.0 -0.272 35.4 -75.8 -89.1 175.7 9.7 -8.3 1.4 316 1074 B P S S+ 0 0 53 0, 0.0 -1,-0.2 0, 0.0 78,-0.1 -0.289 115.6 45.3 -62.6 158.7 11.3 -11.6 0.5 317 1075 B Q S S+ 0 0 165 1,-0.3 2,-0.4 -3,-0.1 -2,-0.1 0.959 74.7 150.7 69.0 48.8 14.3 -12.4 2.7 318 1076 B T - 0 0 30 1,-0.2 -1,-0.3 -4,-0.1 3,-0.1 -0.922 55.5-117.5-108.3 138.6 12.6 -11.4 5.9 319 1077 B K S S+ 0 0 184 -2,-0.4 2,-0.9 1,-0.2 -1,-0.2 0.923 105.5 33.8 -39.1 -73.3 14.0 -13.4 8.9 320 1078 B V S > S- 0 0 46 1,-0.2 3,-1.5 -3,-0.1 4,-0.5 -0.808 74.8-162.6 -93.0 105.5 10.9 -15.2 9.8 321 1079 B L T >> S+ 0 0 30 -2,-0.9 4,-1.2 1,-0.3 3,-0.9 0.730 81.9 72.2 -59.8 -27.4 9.0 -15.9 6.6 322 1080 B G H 3> S+ 0 0 0 1,-0.3 4,-2.1 2,-0.2 -1,-0.3 0.832 93.1 58.6 -59.0 -29.8 5.7 -16.6 8.3 323 1081 B N H <> S+ 0 0 35 -3,-1.5 4,-2.8 1,-0.2 5,-0.4 0.800 95.6 61.8 -69.9 -29.9 5.5 -12.9 9.0 324 1082 B V H <> S+ 0 0 0 -3,-0.9 4,-2.2 -4,-0.5 -10,-0.3 0.935 110.4 40.2 -61.0 -45.6 5.7 -12.0 5.3 325 1083 B V H X>S+ 0 0 0 -4,-1.2 4,-2.1 2,-0.2 5,-0.9 0.910 116.0 50.3 -68.9 -45.0 2.4 -13.9 4.7 326 1084 B S H <>S+ 0 0 0 -4,-2.1 5,-2.2 3,-0.2 6,-0.2 0.928 119.6 34.9 -61.7 -47.0 0.8 -12.6 7.9 327 1085 B V H <5S+ 0 0 13 -4,-2.8 -2,-0.2 3,-0.2 -3,-0.2 0.954 119.7 47.2 -74.6 -50.2 1.5 -9.0 7.3 328 1086 B N H <5S+ 0 0 2 -4,-2.2 -3,-0.2 -5,-0.4 -2,-0.2 0.866 129.7 18.8 -60.8 -38.9 1.2 -8.9 3.5 329 1087 B Y T >X5S+ 0 0 10 -4,-2.1 4,-3.2 -5,-0.3 3,-1.1 0.908 134.2 28.9 -97.6 -68.6 -2.1 -10.8 3.3 330 1088 B F H 3>XS+ 0 0 4 -5,-0.9 4,-1.7 1,-0.3 5,-0.6 0.862 113.6 63.6 -64.5 -36.3 -3.9 -10.8 6.7 331 1089 B G H 345S+ 0 0 7 -3,-1.1 4,-2.7 -6,-0.2 5,-0.3 0.839 120.2 47.1-102.7 -51.5 -4.4 -6.1 4.7 333 1091 B T H X5S+ 0 0 8 -4,-3.2 4,-2.3 1,-0.2 5,-0.2 0.926 112.3 47.6 -61.2 -49.4 -7.4 -8.3 4.3 334 1092 B E H X5S+ 0 0 47 -4,-1.7 4,-1.9 -5,-0.2 -1,-0.2 0.874 115.4 47.6 -62.8 -34.5 -8.6 -8.3 7.9 335 1093 B L H > S+ 0 0 78 0, 0.0 4,-0.6 0, 0.0 -1,-0.2 0.898 113.1 44.3 -52.4 -39.5 -18.4 -0.2 7.6 342 1100 B A H >4 S+ 0 0 1 -3,-0.5 -37,-1.3 -4,-0.3 3,-0.9 0.905 112.0 51.6 -70.7 -42.4 -16.5 2.9 8.7 343 1101 B L H >< S+ 0 0 0 -4,-2.7 3,-2.5 1,-0.3 -1,-0.2 0.897 101.8 62.0 -60.0 -42.1 -15.5 3.7 5.1 344 1102 B K H 3< S+ 0 0 104 -4,-3.2 -1,-0.3 1,-0.3 -2,-0.2 0.771 100.7 53.4 -55.8 -28.3 -19.2 3.4 4.1 345 1103 B K T << S+ 0 0 116 -3,-0.9 -1,-0.3 -4,-0.6 -2,-0.2 0.497 97.5 100.8 -85.1 -4.8 -19.9 6.3 6.4 346 1104 B G S < S- 0 0 18 -3,-2.5 2,-0.6 -41,-0.3 -40,-0.2 -0.165 80.4-102.5 -81.2 173.2 -17.2 8.4 4.7 347 1105 B H S S- 0 0 122 1,-0.3 3,-0.1 3,-0.0 -1,-0.1 -0.849 99.5 -20.5 -97.1 119.9 -17.2 11.1 2.1 348 1106 B Q S S- 0 0 87 -2,-0.6 -1,-0.3 -155,-0.2 72,-0.1 0.908 95.2-156.2 46.2 47.4 -16.3 9.9 -1.4 349 1107 B P + 0 0 15 0, 0.0 72,-1.7 0, 0.0 2,-0.3 -0.206 23.5 163.0 -58.9 140.0 -14.7 6.9 0.4 350 1108 B A E -kl 307 421C 1 -44,-1.2 -42,-1.4 70,-0.2 2,-0.3 -0.978 19.1-157.7-153.2 157.5 -11.9 5.0 -1.3 351 1109 B A E -kl 308 422C 1 70,-1.7 72,-2.0 -2,-0.3 2,-0.4 -0.985 1.0-160.9-141.2 149.5 -9.1 2.6 -0.4 352 1110 B V E -kl 309 423C 0 -44,-2.3 -42,-2.4 -2,-0.3 2,-0.5 -1.000 4.8-162.2-132.9 129.7 -5.9 1.6 -2.0 353 1111 B V E -kl 310 424C 2 70,-2.4 72,-1.6 -2,-0.4 2,-0.8 -0.940 18.4-133.5-112.2 133.4 -4.0 -1.6 -1.2 354 1112 B I E + l 0 425C 12 -44,-2.5 72,-0.2 -2,-0.5 70,-0.1 -0.783 39.3 156.5 -89.8 111.7 -0.4 -1.9 -2.1 355 1113 B S - 0 0 1 70,-2.7 2,-0.3 -2,-0.8 71,-0.1 0.375 34.5-119.0 -98.2-122.5 0.2 -5.2 -3.8 356 1114 B S > - 0 0 0 45,-0.2 3,-2.6 70,-0.2 4,-0.2 -0.898 21.4-107.8 179.9 151.2 3.2 -5.7 -6.1 357 1115 B V G > S+ 0 0 11 70,-2.2 3,-2.2 1,-0.3 4,-0.2 0.772 114.7 77.4 -60.6 -19.7 3.9 -6.6 -9.7 358 1116 B A G > S+ 0 0 6 69,-0.3 3,-1.7 1,-0.3 4,-0.3 0.747 74.7 75.9 -60.7 -21.1 5.0 -9.8 -8.0 359 1117 B S G X S+ 0 0 0 -3,-2.6 3,-0.5 1,-0.3 -1,-0.3 0.780 94.0 51.2 -60.6 -25.2 1.3 -10.6 -7.8 360 1118 B A G < S+ 0 0 16 -3,-2.2 -1,-0.3 -4,-0.2 -2,-0.2 0.472 87.5 81.0 -91.6 -3.4 1.5 -11.4 -11.6 361 1119 B H G < S+ 0 0 128 -3,-1.7 2,-0.3 -4,-0.2 -1,-0.2 0.578 98.2 42.4 -77.5 -9.5 4.5 -13.8 -11.3 362 1120 B L S < S- 0 0 53 -3,-0.5 2,-0.4 -4,-0.3 5,-0.1 -0.960 80.5-123.3-136.2 153.7 2.1 -16.5 -10.2 363 1121 B A > - 0 0 46 -2,-0.3 3,-2.2 1,-0.1 4,-0.2 -0.807 23.6-130.8 -95.4 136.2 -1.3 -17.8 -11.2 364 1122 B F G > S+ 0 0 21 -125,-0.5 3,-1.8 -2,-0.4 6,-0.2 0.910 109.0 52.7 -52.7 -45.1 -3.9 -17.8 -8.4 365 1123 B D G 3 S+ 0 0 126 1,-0.3 -1,-0.3 -126,-0.1 6,-0.0 0.482 113.2 45.1 -72.2 0.6 -4.9 -21.4 -9.3 366 1124 B K G < S+ 0 0 147 -3,-2.2 -1,-0.3 4,-0.0 -2,-0.2 0.156 85.6 117.7-123.3 11.5 -1.2 -22.4 -9.1 367 1125 B N X> - 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