==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 10-MAR-10 3AFM . COMPND 2 MOLECULE: CARBONYL REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SPHINGOMONAS SP.; . AUTHOR R.TAKASE,A.OCHIAI,B.MIKAMI,W.HASHIMOTO,K.MURATA . 492 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20282.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 364 74.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 66 13.4 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 . 34 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 54 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 182 37.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 2.2 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 4 0 0 0 0 0 3 2 4 0 0 2 0 0 0 0 0 4 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 4 4 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 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 58 0, 0.0 26,-0.1 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 -15.4 43.4 48.4 17.7 2 2 A F > - 0 0 6 1,-0.1 3,-1.8 259,-0.0 4,-0.2 -0.997 360.0-135.0-132.1 134.7 41.4 51.7 18.1 3 3 A P G > S+ 0 0 103 0, 0.0 3,-1.2 0, 0.0 -1,-0.1 0.762 100.0 64.0 -64.8 -24.8 37.8 52.1 17.1 4 4 A D G 3 S+ 0 0 31 1,-0.2 234,-0.1 3,-0.1 26,-0.0 0.460 85.9 74.3 -80.8 0.9 38.3 55.5 15.4 5 5 A L G X + 0 0 2 -3,-1.8 3,-1.8 25,-0.1 -1,-0.2 0.612 67.4 114.9 -83.5 -13.6 40.6 53.9 12.7 6 6 A K T < S+ 0 0 144 -3,-1.2 26,-0.2 1,-0.3 25,-0.2 -0.397 89.6 3.6 -60.0 125.4 37.6 52.3 11.0 7 7 A G T 3 S+ 0 0 33 24,-2.5 -1,-0.3 1,-0.3 25,-0.2 0.338 93.1 146.2 82.0 -6.4 37.2 53.8 7.5 8 8 A K < - 0 0 56 -3,-1.8 25,-3.0 19,-0.1 2,-0.8 -0.383 51.1-127.4 -67.5 142.2 40.3 55.9 7.8 9 9 A R E -a 33 0A 59 23,-0.2 78,-2.7 -3,-0.1 79,-2.1 -0.819 33.4-175.8 -97.5 108.3 42.3 56.4 4.6 10 10 A V E -ab 34 88A 0 23,-2.8 25,-2.9 -2,-0.8 2,-0.6 -0.921 14.7-164.2-119.7 109.9 45.8 55.4 5.3 11 11 A L E -ab 35 89A 0 77,-2.6 79,-3.2 -2,-0.6 2,-0.6 -0.832 10.6-173.9 -93.2 119.5 48.7 55.7 2.8 12 12 A I E > -ab 36 90A 0 23,-2.5 3,-0.6 -2,-0.6 25,-0.5 -0.916 10.2-153.6-119.4 105.7 51.7 53.6 3.9 13 13 A T T 3 S+ 0 0 2 77,-2.5 79,-0.4 -2,-0.6 25,-0.1 -0.484 80.4 21.2 -74.7 147.7 54.9 54.0 1.8 14 14 A G T 3 S+ 0 0 22 78,-0.2 6,-0.5 -2,-0.1 7,-0.2 0.899 82.3 136.5 63.3 44.3 57.2 51.0 1.7 15 15 A S < + 0 0 0 22,-1.6 23,-0.2 -3,-0.6 9,-0.1 0.161 32.4 97.1-111.2 18.4 54.5 48.6 2.8 16 16 A S S S- 0 0 14 21,-0.8 2,-0.2 20,-0.1 -1,-0.2 0.854 97.8 -2.3 -71.0 -35.0 55.1 45.6 0.5 17 17 A Q S >> S+ 0 0 132 -3,-0.2 4,-1.6 4,-0.0 3,-0.6 -0.817 107.8 11.9-144.6 174.9 57.1 43.7 3.2 18 18 A G H 3> S- 0 0 26 -2,-0.2 4,-2.6 1,-0.2 5,-0.2 -0.088 119.0 -5.6 60.0-138.7 58.5 43.9 6.7 19 19 A I H 3> S+ 0 0 23 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.898 135.3 53.4 -58.4 -46.2 57.5 46.7 9.1 20 20 A G H <> S+ 0 0 1 -3,-0.6 4,-2.4 -6,-0.5 -5,-0.2 0.907 112.5 44.4 -58.6 -44.6 55.4 48.5 6.5 21 21 A L H X S+ 0 0 20 -4,-1.6 4,-2.7 -7,-0.2 -2,-0.2 0.927 111.9 50.5 -66.7 -47.6 53.4 45.4 5.7 22 22 A A H X S+ 0 0 8 -4,-2.6 4,-1.8 1,-0.2 -2,-0.2 0.896 113.3 48.2 -58.2 -39.4 52.9 44.3 9.3 23 23 A T H X S+ 0 0 1 -4,-2.4 4,-2.3 -5,-0.2 -2,-0.2 0.940 109.6 51.6 -66.0 -47.8 51.6 47.8 10.0 24 24 A A H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.909 108.7 52.1 -53.6 -45.8 49.3 47.8 6.9 25 25 A R H X S+ 0 0 89 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.909 109.3 48.8 -59.6 -43.8 47.8 44.4 8.1 26 26 A L H X S+ 0 0 47 -4,-1.8 4,-1.2 1,-0.2 -1,-0.2 0.889 110.1 51.6 -66.3 -38.6 47.1 45.8 11.5 27 27 A F H <>S+ 0 0 0 -4,-2.3 5,-2.3 2,-0.2 3,-0.4 0.925 109.7 49.2 -61.2 -44.7 45.4 48.9 10.0 28 28 A A H ><5S+ 0 0 0 -4,-2.4 3,-1.7 1,-0.2 -2,-0.2 0.873 106.1 56.5 -65.6 -35.7 43.2 46.8 7.8 29 29 A R H 3<5S+ 0 0 171 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.812 104.6 54.1 -61.4 -30.6 42.2 44.6 10.8 30 30 A A T 3<5S- 0 0 19 -4,-1.2 -1,-0.3 -3,-0.4 -2,-0.2 0.377 128.2-103.1 -83.4 2.0 41.1 47.9 12.4 31 31 A G T < 5S+ 0 0 9 -3,-1.7 -24,-2.5 1,-0.2 -3,-0.2 0.602 70.7 149.3 88.6 14.3 38.9 48.6 9.3 32 32 A A < - 0 0 0 -5,-2.3 26,-1.9 -26,-0.2 2,-0.7 -0.396 51.4-122.4 -78.8 157.2 41.1 51.1 7.6 33 33 A K E -ac 9 58A 80 -25,-3.0 -23,-2.8 24,-0.2 2,-0.4 -0.900 39.7-158.0 -99.7 109.0 41.4 51.6 3.9 34 34 A V E -ac 10 59A 0 24,-2.8 26,-1.6 -2,-0.7 2,-0.7 -0.759 19.7-149.1-106.1 130.5 45.1 51.1 3.2 35 35 A G E -ac 11 60A 0 -25,-2.9 -23,-2.5 -2,-0.4 2,-0.3 -0.871 20.7-157.4 -90.6 113.2 47.3 52.2 0.4 36 36 A L E -ac 12 61A 1 24,-3.0 26,-2.5 -2,-0.7 2,-0.3 -0.721 15.2-173.4 -88.9 143.1 50.1 49.6 -0.1 37 37 A H E + c 0 62A 6 -25,-0.5 -22,-1.6 -2,-0.3 -21,-0.8 -0.998 19.4 137.1-145.6 142.9 53.3 50.8 -1.8 38 38 A G E - c 0 63A 8 24,-1.3 26,-2.1 -2,-0.3 3,-0.1 -0.943 61.8 -95.7-162.4 175.4 56.6 49.5 -3.2 39 39 A R S S+ 0 0 194 -2,-0.3 2,-0.3 1,-0.3 26,-0.1 0.866 112.2 3.1 -68.0 -35.1 58.8 50.0 -6.3 40 40 A K S S- 0 0 170 23,-0.1 -1,-0.3 24,-0.1 22,-0.1 -0.991 93.6 -87.2-146.7 153.6 57.1 47.0 -7.7 41 41 A A - 0 0 50 -2,-0.3 2,-0.1 -3,-0.1 22,-0.0 -0.309 43.8-125.5 -57.9 130.1 54.3 44.6 -6.7 42 42 A P > - 0 0 32 0, 0.0 3,-1.8 0, 0.0 4,-0.2 -0.423 23.6-110.4 -71.5 156.7 55.4 41.7 -4.5 43 43 A A T 3 S+ 0 0 107 1,-0.3 3,-0.3 2,-0.1 4,-0.2 0.782 118.2 50.5 -56.1 -29.5 54.5 38.2 -5.6 44 44 A N T 3> S+ 0 0 58 1,-0.2 4,-2.4 2,-0.1 3,-0.3 0.229 74.7 114.4 -94.7 12.5 52.1 37.8 -2.7 45 45 A I H <> S+ 0 0 21 -3,-1.8 4,-2.7 1,-0.2 5,-0.2 0.849 74.9 49.6 -61.6 -39.6 50.2 41.1 -3.3 46 46 A D H > S+ 0 0 121 -3,-0.3 4,-2.4 -4,-0.2 -1,-0.2 0.899 112.2 49.0 -65.0 -41.5 46.8 39.5 -4.2 47 47 A E H > S+ 0 0 116 -3,-0.3 4,-2.4 2,-0.2 -2,-0.2 0.910 111.8 49.8 -59.8 -46.0 47.0 37.4 -1.0 48 48 A T H X S+ 0 0 2 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.944 112.2 46.0 -59.5 -51.7 47.8 40.4 1.1 49 49 A I H X S+ 0 0 20 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.905 111.8 53.1 -59.2 -42.9 45.0 42.5 -0.3 50 50 A A H X S+ 0 0 57 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.922 109.4 47.7 -59.0 -47.1 42.6 39.6 0.1 51 51 A S H X S+ 0 0 59 -4,-2.4 4,-1.6 1,-0.2 -1,-0.2 0.874 111.1 51.1 -62.2 -40.9 43.5 39.1 3.8 52 52 A M H <>S+ 0 0 2 -4,-2.1 5,-1.9 2,-0.2 4,-0.3 0.880 112.4 46.2 -66.1 -38.1 43.1 42.9 4.5 53 53 A R H ><5S+ 0 0 127 -4,-2.2 3,-1.5 1,-0.2 -2,-0.2 0.885 108.1 55.4 -71.9 -39.8 39.7 42.9 2.8 54 54 A A H 3<5S+ 0 0 86 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.862 102.1 59.8 -58.5 -34.6 38.6 39.8 4.7 55 55 A D T 3<5S- 0 0 59 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.619 126.3-101.7 -70.0 -12.7 39.5 41.7 7.9 56 56 A G T < 5S+ 0 0 46 -3,-1.5 -3,-0.2 1,-0.3 -2,-0.1 0.464 93.1 99.1 101.0 4.9 36.9 44.4 7.1 57 57 A G < - 0 0 14 -5,-1.9 2,-0.3 -6,-0.2 -1,-0.3 -0.108 65.5-126.1 -95.8-158.4 39.5 46.9 5.7 58 58 A D E -c 33 0A 32 -26,-1.9 -24,-2.8 -2,-0.1 2,-0.3 -0.959 19.2-169.2-149.9 161.4 40.4 47.6 2.2 59 59 A A E +c 34 0A 1 -2,-0.3 2,-0.3 -26,-0.2 -24,-0.2 -0.988 9.4 179.5-155.1 143.3 43.7 47.7 0.2 60 60 A A E -c 35 0A 16 -26,-1.6 -24,-3.0 -2,-0.3 2,-0.4 -0.982 25.0-129.5-143.5 143.9 45.1 48.9 -3.1 61 61 A F E -c 36 0A 46 -2,-0.3 2,-0.4 -26,-0.2 -24,-0.2 -0.807 19.0-171.5 -99.8 138.3 48.7 48.6 -4.4 62 62 A F E -c 37 0A 18 -26,-2.5 -24,-1.3 -2,-0.4 2,-0.4 -0.992 12.6-146.7-128.2 123.9 50.6 51.6 -5.9 63 63 A A E +c 38 0A 54 -2,-0.4 2,-0.3 -26,-0.2 -24,-0.2 -0.779 35.0 141.5 -91.5 132.7 53.9 51.3 -7.5 64 64 A A - 0 0 14 -26,-2.1 2,-0.7 -2,-0.4 -24,-0.1 -0.940 47.6-140.2-164.5 143.0 56.4 54.2 -7.2 65 65 A D > - 0 0 89 -2,-0.3 3,-1.1 -26,-0.1 6,-0.2 -0.940 23.2-161.5-101.4 106.7 60.1 55.0 -6.7 66 66 A L T 3 + 0 0 5 -2,-0.7 57,-0.2 1,-0.3 58,-0.1 0.301 66.0 101.0 -81.5 13.8 59.8 57.9 -4.3 67 67 A A T 3 S+ 0 0 22 52,-0.1 2,-0.3 53,-0.1 -1,-0.3 0.666 80.5 57.9 -67.2 -18.3 63.3 59.1 -5.1 68 68 A T S <> S- 0 0 68 -3,-1.1 4,-1.6 1,-0.1 3,-0.2 -0.900 82.0-131.7-115.1 149.4 61.7 61.8 -7.4 69 69 A S H > S+ 0 0 37 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.846 107.1 59.5 -62.0 -37.1 59.2 64.5 -6.5 70 70 A E H > S+ 0 0 127 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.888 104.5 49.1 -58.8 -43.0 57.1 63.5 -9.6 71 71 A A H > S+ 0 0 14 -3,-0.2 4,-2.4 -6,-0.2 -1,-0.2 0.876 110.3 51.5 -65.9 -39.3 56.6 59.9 -8.3 72 72 A C H X S+ 0 0 0 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.920 111.5 46.6 -62.7 -45.0 55.6 61.3 -4.8 73 73 A Q H X S+ 0 0 89 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.906 112.9 50.0 -63.7 -42.7 53.0 63.6 -6.4 74 74 A Q H X S+ 0 0 107 -4,-2.3 4,-2.9 2,-0.2 5,-0.2 0.893 109.1 51.5 -64.0 -41.8 51.7 60.7 -8.6 75 75 A L H X S+ 0 0 1 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.945 112.7 45.1 -59.4 -49.6 51.4 58.3 -5.6 76 76 A V H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 5,-0.2 0.933 114.7 48.6 -60.4 -46.4 49.4 60.9 -3.6 77 77 A D H X S+ 0 0 81 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.914 113.1 47.1 -61.1 -44.2 47.2 61.7 -6.6 78 78 A E H X S+ 0 0 73 -4,-2.9 4,-1.6 2,-0.2 -1,-0.2 0.889 111.8 50.6 -66.4 -40.2 46.5 58.0 -7.4 79 79 A F H X S+ 0 0 0 -4,-2.6 4,-2.8 -5,-0.2 5,-0.3 0.915 111.9 47.0 -62.1 -44.4 45.8 57.2 -3.7 80 80 A V H X S+ 0 0 32 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.861 109.0 55.3 -66.8 -35.9 43.3 60.1 -3.5 81 81 A A H < S+ 0 0 89 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.851 114.9 40.3 -64.2 -34.0 41.7 59.0 -6.8 82 82 A K H < S+ 0 0 109 -4,-1.6 -2,-0.2 -5,-0.1 -1,-0.2 0.921 132.4 19.4 -79.2 -47.2 41.1 55.5 -5.3 83 83 A F H < S- 0 0 26 -4,-2.8 -3,-0.2 -5,-0.1 -2,-0.2 0.549 96.1-121.2-111.6 -10.7 40.0 56.4 -1.7 84 84 A G S < S- 0 0 56 -4,-2.3 2,-0.3 -5,-0.3 -4,-0.2 0.422 76.6 -3.7 91.2 -0.2 38.9 60.1 -1.9 85 85 A G S S- 0 0 7 -6,-0.3 2,-0.4 49,-0.0 -2,-0.1 -0.961 71.7 -98.2 167.0-177.3 41.2 61.7 0.6 86 86 A I + 0 0 0 45,-0.3 49,-0.4 -2,-0.3 -76,-0.2 -0.988 28.9 164.6-137.3 126.9 44.0 61.0 3.2 87 87 A D S S+ 0 0 18 -78,-2.7 57,-2.2 -2,-0.4 2,-0.4 0.710 76.7 25.1-103.3 -34.4 43.6 60.7 7.0 88 88 A V E -bd 10 144A 3 -79,-2.1 -77,-2.6 55,-0.2 2,-0.5 -0.998 59.2-167.1-138.3 128.4 47.0 59.1 7.7 89 89 A L E -bd 11 145A 0 55,-2.6 57,-2.8 -2,-0.4 2,-0.6 -0.981 5.8-168.1-111.1 126.1 50.3 59.2 5.9 90 90 A I E -bd 12 146A 0 -79,-3.2 -77,-2.5 -2,-0.5 2,-1.2 -0.956 8.3-157.0-113.6 113.0 53.0 56.8 7.0 91 91 A N E + d 0 147A 2 55,-2.2 57,-2.8 -2,-0.6 -77,-0.1 -0.737 41.7 136.6 -88.3 89.9 56.4 57.5 5.5 92 92 A N + 0 0 27 -2,-1.2 -1,-0.2 -79,-0.4 -78,-0.2 0.492 31.6 111.4-113.7 -10.6 58.1 54.1 5.7 93 93 A A + 0 0 13 -3,-0.2 2,-0.3 -73,-0.1 55,-0.1 -0.414 47.1 88.5 -63.7 142.3 59.8 54.0 2.3 94 94 A G + 0 0 41 -2,-0.1 2,-0.3 26,-0.1 23,-0.1 -0.939 40.1 174.0 155.1-170.7 63.5 54.2 2.5 95 95 A G - 0 0 16 -2,-0.3 3,-0.1 18,-0.2 22,-0.1 -0.865 46.2 -83.1 154.5 173.0 66.5 51.9 2.9 96 96 A L - 0 0 25 -2,-0.3 2,-2.3 1,-0.2 -1,-0.1 0.826 36.9-162.8 -72.1 -33.5 70.3 51.5 3.0 97 97 A V - 0 0 92 -3,-0.1 2,-0.3 15,-0.1 -1,-0.2 -0.412 69.2 -34.4 69.2 -57.3 70.8 51.3 -0.8 98 98 A G - 0 0 25 -2,-2.3 2,-0.5 62,-0.1 -3,-0.0 -0.959 64.3 -95.4-168.1-177.4 74.2 49.8 0.1 99 99 A R + 0 0 81 -2,-0.3 62,-0.2 62,-0.1 61,-0.2 -0.967 45.6 161.0-118.5 114.7 77.1 50.0 2.6 100 100 A K - 0 0 74 60,-2.0 62,-0.4 -2,-0.5 -2,-0.1 -0.998 33.8-129.7-134.9 129.7 80.0 52.2 1.7 101 101 A P > - 0 0 57 0, 0.0 3,-2.2 0, 0.0 4,-0.4 -0.333 42.5 -94.5 -68.6 161.9 82.7 53.7 4.0 102 102 A L G > S+ 0 0 144 1,-0.3 3,-1.8 2,-0.2 -2,-0.0 0.853 124.2 57.7 -49.2 -46.4 83.3 57.5 3.7 103 103 A P G 3 S+ 0 0 126 0, 0.0 -1,-0.3 0, 0.0 -3,-0.0 0.742 109.6 47.6 -56.1 -22.3 86.2 57.1 1.1 104 104 A E G < S+ 0 0 113 -3,-2.2 2,-1.2 2,-0.1 -2,-0.2 0.345 79.2 114.3-102.3 2.9 83.8 55.2 -1.2 105 105 A I < + 0 0 44 -3,-1.8 2,-0.1 -4,-0.4 -3,-0.0 -0.650 42.3 170.5 -81.7 97.2 80.8 57.6 -1.0 106 106 A D > - 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0 0 13 43,-0.2 3,-1.3 18,-0.1 4,-0.3 -0.952 25.2-116.1-165.7 149.2 65.8 54.7 13.4 151 151 A I T >> S+ 0 0 10 43,-1.9 4,-2.0 -2,-0.3 3,-1.9 0.845 119.3 63.9 -45.2 -38.4 68.0 54.0 16.4 152 152 A A H 3> S+ 0 0 14 1,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.760 89.6 65.5 -64.0 -26.6 70.7 55.1 13.9 153 153 A G H <4 S+ 0 0 11 -3,-1.3 -1,-0.3 2,-0.2 -2,-0.2 0.593 110.1 37.7 -70.5 -12.4 69.1 58.5 13.8 154 154 A H H <4 S+ 0 0 84 -3,-1.9 -2,-0.2 -4,-0.3 -1,-0.2 0.810 133.5 16.9 -99.4 -49.1 70.1 58.9 17.4 155 155 A T H < S- 0 0 54 -4,-2.0 -3,-0.2 1,-0.2 -2,-0.2 0.413 113.5 -91.0-115.6 0.7 73.5 57.3 17.8 156 156 A G < - 0 0 31 -4,-1.8 102,-0.4 -5,-0.3 -1,-0.2 0.011 42.9 -71.6 106.4 149.3 74.8 57.0 14.2 157 157 A G - 0 0 18 5,-0.3 5,-0.2 1,-0.1 3,-0.1 -0.345 46.9-123.4 -68.5 154.1 74.7 54.5 11.3 158 158 A G > - 0 0 17 1,-0.2 3,-2.5 3,-0.2 7,-0.1 0.102 65.3 -20.0 -79.4-159.6 76.8 51.3 11.5 159 159 A P T 3 S- 0 0 102 0, 0.0 -1,-0.2 0, 0.0 -59,-0.0 -0.219 136.4 -9.6 -51.9 118.5 79.4 50.1 9.0 160 160 A G T 3 S+ 0 0 18 -61,-0.2 -60,-2.0 -3,-0.1 3,-0.2 0.517 113.4 100.5 71.1 7.0 78.9 51.9 5.6 161 161 A A <> + 0 0 5 -3,-2.5 4,-2.5 -62,-0.2 5,-0.3 0.041 34.2 120.7-114.0 24.0 75.6 53.3 6.8 162 162 A G H > S+ 0 0 45 -62,-0.4 4,-1.9 1,-0.2 -5,-0.3 0.890 80.4 44.7 -55.4 -44.0 76.8 56.9 7.8 163 163 A L H > S+ 0 0 34 -3,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.840 110.8 54.7 -71.2 -34.2 74.4 58.5 5.3 164 164 A Y H > S+ 0 0 27 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.949 110.5 44.6 -65.9 -48.7 71.5 56.2 6.3 165 165 A G H X S+ 0 0 1 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.925 115.5 47.8 -58.9 -45.5 71.7 57.1 10.1 166 166 A A H X S+ 0 0 60 -4,-1.9 4,-2.1 -5,-0.3 -1,-0.2 0.852 107.5 55.8 -69.2 -33.6 72.1 60.8 9.3 167 167 A A H X S+ 0 0 1 -4,-2.3 4,-1.8 2,-0.2 -1,-0.2 0.897 108.5 48.5 -61.6 -41.1 69.1 60.7 6.9 168 168 A K H X S+ 0 0 5 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.901 108.7 52.9 -67.8 -37.5 67.0 59.3 9.7 169 169 A A H X S+ 0 0 40 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.885 105.9 55.7 -61.0 -38.0 68.4 62.1 12.0 170 170 A F H X S+ 0 0 96 -4,-2.1 4,-2.9 2,-0.2 -2,-0.2 0.921 107.7 47.9 -57.0 -47.4 67.3 64.5 9.4 171 171 A L H X S+ 0 0 0 -4,-1.8 4,-1.8 1,-0.2 -2,-0.2 0.913 107.1 55.8 -62.4 -44.8 63.7 63.1 9.5 172 172 A H H < S+ 0 0 16 -4,-2.3 4,-0.5 1,-0.2 -1,-0.2 0.906 116.1 38.8 -51.8 -43.2 63.7 63.3 13.4 173 173 A N H >X S+ 0 0 105 -4,-1.9 3,-1.6 2,-0.2 4,-0.9 0.918 108.2 57.4 -77.6 -46.4 64.5 67.0 13.1 174 174 A V H 3X S+ 0 0 23 -4,-2.9 4,-1.9 1,-0.3 3,-0.3 0.839 97.9 65.1 -61.2 -30.2 62.4 68.1 10.1 175 175 A H H 3X S+ 0 0 3 -4,-1.8 4,-2.5 1,-0.2 -1,-0.3 0.841 94.6 59.9 -56.4 -35.2 59.3 66.9 11.9 176 176 A K H <> S+ 0 0 123 -3,-1.6 4,-2.2 -4,-0.5 -1,-0.2 0.907 105.3 47.5 -60.8 -43.5 59.9 69.6 14.6 177 177 A N H X S+ 0 0 78 -4,-0.9 4,-1.9 -3,-0.3 -1,-0.2 0.899 110.4 51.8 -62.6 -41.4 59.6 72.2 11.9 178 178 A W H X S+ 0 0 28 -4,-1.9 4,-2.3 1,-0.2 5,-0.2 0.884 109.2 50.3 -67.7 -36.3 56.4 70.6 10.5 179 179 A V H X S+ 0 0 3 -4,-2.5 4,-1.3 1,-0.2 -1,-0.2 0.939 109.4 52.4 -60.1 -47.3 54.9 70.6 14.1 180 180 A D H < S+ 0 0 101 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.875 124.3 23.9 -60.4 -36.6 55.7 74.3 14.5 181 181 A F H < S+ 0 0 121 -4,-1.9 -1,-0.2 -5,-0.1 -2,-0.2 0.583 126.7 40.6-112.0 -9.7 54.1 75.4 11.2 182 182 A H H ><>S+ 0 0 48 -4,-2.3 5,-1.2 -5,-0.2 3,-1.2 0.393 82.1 91.1-124.8 3.5 51.4 72.8 10.4 183 183 A T G ><5S+ 0 0 14 -4,-1.3 3,-2.3 1,-0.2 4,-0.1 0.914 86.2 60.9 -57.9 -40.4 49.8 71.9 13.8 184 184 A K G 3 5S+ 0 0 161 1,-0.3 -1,-0.2 -5,-0.2 -2,-0.1 0.653 94.8 62.9 -60.7 -17.1 47.4 74.7 12.9 185 185 A D G < 5S- 0 0 53 -3,-1.2 -1,-0.3 2,-0.2 -48,-0.2 0.383 121.3-107.5 -88.6 1.9 46.4 72.6 9.8 186 186 A G T < 5S+ 0 0 20 -3,-2.3 -43,-2.7 1,-0.3 2,-0.5 0.701 77.4 131.7 81.2 22.9 45.1 69.9 12.1 187 187 A V E < -e 143 0A 1 -5,-1.2 2,-0.4 -45,-0.2 -1,-0.3 -0.920 42.9-155.5-113.7 127.9 48.0 67.5 11.4 188 188 A R E -e 144 0A 1 -45,-2.6 -43,-3.2 -2,-0.5 2,-0.5 -0.865 8.4-156.6 -99.4 137.8 50.0 65.7 14.1 189 189 A F E +e 145 0A 1 -2,-0.4 57,-3.6 -45,-0.2 58,-0.5 -0.971 22.3 158.6-119.8 121.0 53.6 64.6 13.2 190 190 A N E -e 146 0A 1 -45,-2.4 -43,-2.0 -2,-0.5 2,-0.4 -0.934 26.6-137.1-140.1 160.9 55.2 61.7 15.0 191 191 A I E -ef 147 248A 1 56,-2.8 58,-3.0 -2,-0.3 2,-0.5 -0.973 2.9-158.4-126.5 133.1 58.0 59.2 14.5 192 192 A V E -ef 148 249A 0 -45,-1.7 -43,-2.7 -2,-0.4 58,-0.2 -0.965 17.2-165.5-102.5 125.1 58.3 55.5 15.2 193 193 A S E - 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0 0 37 -3,-1.5 -3,-0.0 1,-0.1 2,-0.0 -0.361 69.4-125.1 -68.0 135.3 74.0 39.7 8.3 206 206 A T > - 0 0 85 -2,-0.1 4,-2.4 1,-0.1 5,-0.2 -0.279 27.4-107.3 -68.1 162.7 76.0 36.6 9.2 207 207 A Q H > S+ 0 0 125 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.899 120.9 56.0 -59.4 -41.5 74.9 34.4 12.1 208 208 A D H > S+ 0 0 129 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.889 109.8 44.8 -56.4 -44.4 77.9 35.7 14.1 209 209 A V H > S+ 0 0 33 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.933 113.4 49.3 -68.5 -47.6 76.9 39.3 13.6 210 210 A R H X S+ 0 0 48 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.916 113.0 48.4 -55.4 -47.1 73.2 38.7 14.4 211 211 A D H X S+ 0 0 69 -4,-2.8 4,-2.2 2,-0.2 -1,-0.2 0.894 109.7 52.0 -59.5 -45.4 74.2 36.8 17.6 212 212 A R H X S+ 0 0 167 -4,-2.1 4,-0.9 -5,-0.2 -2,-0.2 0.931 113.5 43.6 -57.1 -50.8 76.6 39.6 18.7 213 213 A I H >X S+ 0 0 27 -4,-2.4 3,-1.2 1,-0.2 4,-0.9 0.939 111.6 53.4 -60.2 -50.8 73.9 42.2 18.3 214 214 A S H >< S+ 0 0 25 -4,-2.8 3,-0.6 1,-0.3 -1,-0.2 0.857 105.5 54.5 -56.4 -39.0 71.2 40.0 20.0 215 215 A N H 3< S+ 0 0 143 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.745 107.7 50.4 -67.3 -25.1 73.5 39.5 23.0 216 216 A G H << S+ 0 0 62 -3,-1.2 -1,-0.2 -4,-0.9 -2,-0.2 0.570 89.9 90.8 -89.2 -13.7 73.9 43.3 23.5 217 217 A I S X< S- 0 0 5 -4,-0.9 3,-2.4 -3,-0.6 37,-0.1 -0.736 77.8-135.1 -84.1 126.1 70.2 44.1 23.4 218 218 A P T 3 S+ 0 0 39 0, 0.0 36,-0.2 0, 0.0 -1,-0.1 0.859 107.7 51.5 -48.2 -39.4 68.6 44.0 26.9 219 219 A M T 3 S- 0 0 39 34,-1.7 35,-0.1 2,-0.2 34,-0.1 0.499 111.4-127.0 -80.6 -2.5 65.6 42.0 25.6 220 220 A G S < S+ 0 0 46 -3,-2.4 2,-0.3 33,-0.2 -6,-0.1 0.575 73.1 54.8 78.0 14.6 68.1 39.6 24.1 221 221 A R S S- 0 0 90 32,-0.1 -2,-0.2 -8,-0.1 -25,-0.1 -0.983 86.8 -84.6-164.7 161.4 66.8 39.5 20.5 222 222 A F - 0 0 13 -2,-0.3 -25,-0.3 1,-0.1 2,-0.1 -0.403 52.5-110.1 -61.7 151.2 65.9 41.5 17.4 223 223 A G B -g 197 0B 0 -27,-2.8 -25,-3.1 28,-0.1 2,-0.3 -0.323 29.0-120.2 -74.2 166.3 62.4 43.0 17.4 224 224 A T >> - 0 0 47 -27,-0.2 3,-0.7 1,-0.1 4,-0.5 -0.772 18.5-117.4-102.9 159.4 59.7 41.7 15.1 225 225 A A H >> S+ 0 0 9 -27,-0.4 3,-1.3 -2,-0.3 4,-1.0 0.887 117.4 58.4 -59.2 -36.4 57.8 43.7 12.4 226 226 A E H 34 S+ 0 0 125 1,-0.3 -1,-0.2 2,-0.2 3,-0.1 0.778 98.0 59.5 -66.2 -27.7 54.6 43.0 14.4 227 227 A E H <4 S+ 0 0 39 -3,-0.7 255,-0.3 1,-0.2 4,-0.3 0.628 105.2 50.4 -74.2 -15.2 56.2 44.6 17.5 228 228 A M H X S+ 0 0 1 -4,-1.0 4,-1.6 1,-0.2 3,-0.9 0.871 84.9 58.6 -62.9 -48.3 53.0 48.1 14.2 230 230 A P H 3> S+ 0 0 6 0, 0.0 4,-2.7 0, 0.0 -1,-0.2 0.869 101.1 58.5 -54.9 -38.0 50.9 49.0 17.3 231 231 A A H 3> S+ 0 0 1 -3,-0.4 4,-2.5 -4,-0.3 -2,-0.2 0.867 104.1 51.8 -56.6 -39.3 52.9 52.2 17.8 232 232 A F H < S+ 0 0 0 -4,-2.7 3,-0.6 1,-0.2 7,-0.3 0.953 111.8 43.0 -55.8 -52.8 48.6 54.5 18.3 235 235 A F H 3< S+ 0 0 0 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.760 113.4 53.8 -65.9 -25.7 50.0 57.6 16.7 236 236 A A H 3< S+ 0 0 8 -4,-1.6 2,-0.7 -5,-0.2 -1,-0.2 0.727 91.7 86.4 -79.8 -23.8 47.4 57.4 13.9 237 237 A S S+ 0 0 48 -2,-0.7 4,-1.8 -96,-0.2 -1,-0.2 0.857 94.8 58.0 -57.4 -38.4 43.2 60.8 17.4 239 239 A L H 4 S+ 0 0 91 1,-0.2 -1,-0.2 2,-0.2 -5,-0.1 0.926 116.1 33.7 -55.7 -46.1 41.3 58.9 20.2 240 240 A A H 4 S+ 0 0 2 -7,-0.2 230,-0.2 -6,-0.2 -2,-0.2 0.864 139.1 11.8 -80.1 -38.3 44.6 57.5 21.5 241 241 A S H >< S+ 0 0 0 -4,-3.1 3,-2.5 -7,-0.3 -3,-0.2 0.057 72.6 135.7-138.1 27.1 47.1 60.3 20.8 242 242 A G T 3< S+ 0 0 4 -4,-1.8 -4,-0.1 1,-0.3 -1,-0.1 0.656 83.2 42.5 -56.8 -21.7 45.2 63.5 19.8 243 243 A Y T 3 S+ 0 0 5 223,-0.3 249,-2.2 -5,-0.1 2,-0.6 0.283 96.4 98.4-105.0 10.8 47.4 65.7 22.1 244 244 A I < + 0 0 0 -3,-2.5 2,-0.3 246,-0.2 246,-0.1 -0.868 43.4 144.9-104.9 121.5 50.6 64.0 21.0 245 245 A T + 0 0 1 -2,-0.6 248,-0.5 244,-0.3 246,-0.2 -0.992 53.8 26.8-151.4 152.6 52.8 65.6 18.3 246 246 A G S S+ 0 0 24 -57,-3.6 2,-0.3 -2,-0.3 -56,-0.2 0.725 82.9 143.8 69.5 25.3 56.5 65.9 17.5 247 247 A Q - 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