==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-FEB-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 05-DEC-12 4I9B . COMPND 2 MOLECULE: PUTATIVE BETAINE ALDEHYDE DEHYROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SOLANUM LYCOPERSICUM; . AUTHOR S.MORERA,A.VIGOUROUX,D.KOPECNY . 992 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35204.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 698 70.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 102 10.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 77 7.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 2 0.2 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 . 70 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 87 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 317 32.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.2 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 3 0 2 0 1 3 2 0 5 5 2 1 3 2 0 0 0 0 0 0 0 2 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 6 6 6 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 . 4 2 4 2 1 1 0 0 2 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 . 2 0 0 0 0 0 2 0 2 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 6 A V 0 0 116 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 133.0 -16.2 42.6 23.7 2 7 A P - 0 0 119 0, 0.0 88,-0.0 0, 0.0 0, 0.0 -0.560 360.0-152.9 -74.4 130.9 -15.5 38.9 24.5 3 8 A I - 0 0 42 -2,-0.3 33,-0.1 31,-0.1 87,-0.0 -0.903 17.6-125.9-103.4 120.0 -13.8 37.0 21.6 4 9 A P - 0 0 36 0, 0.0 2,-0.5 0, 0.0 32,-0.2 -0.225 12.5-149.3 -64.4 152.4 -14.5 33.3 21.5 5 10 A R + 0 0 157 30,-0.1 2,-0.2 32,-0.0 32,-0.1 -0.989 28.6 172.3-124.1 111.2 -11.6 30.8 21.4 6 11 A R - 0 0 63 -2,-0.5 2,-0.2 30,-0.4 3,-0.1 -0.747 26.7-139.7-120.1 166.6 -12.6 27.7 19.5 7 12 A Q - 0 0 40 -2,-0.2 9,-0.2 1,-0.2 2,-0.2 -0.369 51.8 -65.2-105.6-170.4 -11.1 24.5 18.1 8 13 A L E -A 15 0A 0 7,-2.4 7,-3.1 -2,-0.2 2,-0.7 -0.505 45.9-128.9 -75.7 150.8 -11.9 22.8 14.7 9 14 A Y E +AB 14 208A 0 199,-2.2 199,-2.6 5,-0.2 2,-0.4 -0.904 44.8 153.7-107.8 103.3 -15.4 21.5 14.3 10 15 A I E > -A 13 0A 4 3,-2.4 3,-1.9 -2,-0.7 197,-0.1 -0.994 61.7 -10.2-136.0 132.4 -15.2 17.9 13.1 11 16 A G T 3 S- 0 0 18 -2,-0.4 192,-0.2 1,-0.3 -1,-0.1 0.867 126.8 -53.7 49.5 44.6 -17.6 14.9 13.5 12 17 A G T 3 S+ 0 0 13 194,-0.4 2,-0.3 1,-0.2 -1,-0.3 0.335 119.9 98.8 77.0 -0.9 -19.8 16.7 16.0 13 18 A E E < S-A 10 0A 105 -3,-1.9 -3,-2.4 2,-0.0 2,-0.5 -0.803 78.9-114.0-116.8 158.7 -16.8 17.5 18.3 14 19 A W E -A 9 0A 62 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.758 45.5-171.7 -84.3 122.8 -14.5 20.4 19.1 15 20 A R E -A 8 0A 91 -7,-3.1 -7,-2.4 -2,-0.5 3,-0.1 -0.987 22.6-131.4-128.3 128.4 -11.1 19.0 17.9 16 21 A E - 0 0 102 -2,-0.4 -9,-0.1 -9,-0.2 5,-0.0 -0.457 41.3 -99.3 -67.6 142.9 -7.7 20.5 18.3 17 22 A P > - 0 0 1 0, 0.0 3,-1.2 0, 0.0 -1,-0.1 -0.353 31.6-117.8 -61.0 147.3 -5.6 20.6 15.0 18 23 A V T 3 S+ 0 0 70 1,-0.3 22,-0.1 23,-0.1 -2,-0.1 0.889 117.7 39.9 -51.7 -45.4 -3.2 17.6 14.9 19 24 A K T 3 S- 0 0 126 20,-0.2 -1,-0.3 2,-0.1 21,-0.0 0.413 106.1-133.1 -87.9 -0.8 -0.1 20.0 14.8 20 25 A K < + 0 0 128 -3,-1.2 2,-0.2 1,-0.2 -2,-0.1 0.634 48.6 156.0 58.0 24.5 -1.8 22.3 17.4 21 26 A N - 0 0 76 18,-0.4 18,-2.8 -5,-0.0 2,-0.3 -0.500 21.1-171.6 -81.1 147.0 -1.1 25.5 15.5 22 27 A R E -H 38 0B 49 16,-0.3 14,-0.0 -2,-0.2 189,-0.0 -0.913 6.9-154.4-132.7 153.5 -3.2 28.7 15.9 23 28 A I E -H 37 0B 31 14,-2.4 14,-2.6 -2,-0.3 188,-0.0 -0.959 28.5 -93.8-129.5 152.1 -3.2 32.0 13.9 24 29 A P E -H 36 0B 68 0, 0.0 2,-0.5 0, 0.0 12,-0.3 -0.148 18.3-139.3 -69.8 159.4 -4.2 35.6 15.1 25 30 A I E -H 35 0B 4 10,-2.5 9,-2.4 160,-0.1 10,-0.7 -0.976 24.5-161.4-108.5 126.2 -7.5 37.4 14.7 26 31 A I E -H 33 0B 70 -2,-0.5 7,-0.2 7,-0.2 3,-0.0 -0.924 16.2-138.7-114.8 135.6 -6.9 41.0 13.8 27 32 A N E >>> -H 32 0B 10 5,-2.4 4,-2.8 -2,-0.4 3,-0.8 -0.863 12.9-154.8 -88.1 113.6 -9.4 43.8 14.2 28 33 A P T 345S+ 0 0 0 0, 0.0 341,-2.2 0, 0.0 304,-0.1 0.729 90.7 57.4 -64.4 -21.7 -9.1 45.9 11.0 29 34 A A T 345S+ 0 0 5 64,-0.3 338,-0.1 339,-0.2 341,-0.1 0.781 124.2 19.7 -74.6 -33.7 -10.4 49.0 12.7 30 35 A T T <45S- 0 0 49 -3,-0.8 338,-0.2 2,-0.2 -1,-0.1 0.569 92.3-131.6-111.0 -18.4 -7.8 49.0 15.5 31 36 A E T <5 + 0 0 73 -4,-2.8 2,-0.3 1,-0.3 304,-0.0 0.589 63.0 137.5 70.1 16.5 -5.0 46.8 13.9 32 37 A E E < -H 27 0B 123 -5,-0.6 -5,-2.4 2,-0.0 2,-0.5 -0.665 64.2-116.9 -94.5 147.7 -4.9 44.9 17.2 33 38 A I E +H 26 0B 121 -2,-0.3 -7,-0.2 -7,-0.2 3,-0.1 -0.737 35.2 177.0 -78.8 119.5 -4.7 41.1 17.8 34 39 A I E - 0 0 45 -9,-2.4 2,-0.3 -2,-0.5 -8,-0.1 0.287 57.6 -45.7-110.7 4.0 -8.0 40.3 19.5 35 40 A G E -H 25 0B 27 -10,-0.7 -10,-2.5 2,-0.0 2,-0.3 -0.970 61.8 -95.6 159.9-165.1 -7.7 36.6 19.8 36 41 A D E -H 24 0B 55 -2,-0.3 -30,-0.4 -12,-0.3 -14,-0.0 -0.944 16.4-147.6-144.9 163.0 -6.7 33.5 17.7 37 42 A I E -H 23 0B 5 -14,-2.6 -14,-2.4 -2,-0.3 -30,-0.1 -0.921 35.6 -93.3-126.7 153.9 -8.2 30.7 15.6 38 43 A P E -H 22 0B 0 0, 0.0 2,-0.7 0, 0.0 -16,-0.3 -0.384 32.6-141.2 -67.9 148.0 -7.1 27.1 15.0 39 44 A A - 0 0 1 -18,-2.8 -18,-0.4 172,-0.1 172,-0.3 -0.860 18.4-156.0-114.9 92.7 -4.9 26.5 12.0 40 45 A A - 0 0 0 170,-3.0 172,-0.3 -2,-0.7 2,-0.2 -0.343 10.7-171.6 -69.1 149.3 -5.8 23.3 10.2 41 46 A T >> - 0 0 9 175,-0.1 4,-1.6 170,-0.1 3,-1.0 -0.671 46.8 -75.0-125.3-176.8 -3.3 21.3 8.1 42 47 A A H 3> S+ 0 0 39 1,-0.3 4,-2.4 -2,-0.2 5,-0.1 0.809 127.9 58.3 -53.5 -36.6 -3.6 18.3 5.7 43 48 A E H 3> S+ 0 0 74 1,-0.2 4,-1.5 2,-0.2 -1,-0.3 0.876 107.1 47.6 -65.3 -32.6 -3.9 15.8 8.7 44 49 A D H <> S+ 0 0 2 -3,-1.0 4,-2.3 2,-0.2 -1,-0.2 0.860 109.1 54.2 -72.1 -35.5 -7.0 17.7 9.9 45 50 A V H X S+ 0 0 0 -4,-1.6 4,-2.8 2,-0.2 5,-0.2 0.952 106.7 51.8 -63.3 -47.7 -8.5 17.6 6.4 46 51 A D H X S+ 0 0 85 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.876 110.9 47.5 -55.7 -40.6 -8.0 13.8 6.3 47 52 A I H X S+ 0 0 49 -4,-1.5 4,-2.3 2,-0.2 -1,-0.2 0.889 112.4 49.5 -69.2 -40.2 -9.9 13.5 9.7 48 53 A A H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.887 110.1 50.1 -67.7 -39.9 -12.7 15.9 8.4 49 54 A V H X S+ 0 0 2 -4,-2.8 4,-2.8 2,-0.2 -2,-0.2 0.926 111.9 48.6 -63.6 -44.1 -13.1 13.9 5.1 50 55 A E H X S+ 0 0 77 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.925 112.5 48.2 -63.5 -39.1 -13.3 10.6 7.2 51 56 A A H X S+ 0 0 11 -4,-2.3 4,-1.6 2,-0.2 -1,-0.2 0.875 112.2 49.8 -65.7 -39.9 -15.9 12.3 9.5 52 57 A A H X S+ 0 0 0 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.921 110.2 49.4 -66.9 -41.7 -17.9 13.5 6.4 53 58 A R H X S+ 0 0 100 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.878 108.8 53.7 -64.4 -38.7 -17.8 9.9 4.8 54 59 A K H X S+ 0 0 118 -4,-2.1 4,-1.1 2,-0.2 -1,-0.2 0.869 106.6 51.9 -63.3 -38.7 -19.1 8.5 8.1 55 60 A A H < S+ 0 0 0 -4,-1.6 7,-1.8 2,-0.2 3,-0.4 0.909 109.5 49.3 -63.0 -44.0 -22.0 10.9 8.1 56 61 A I H < S+ 0 0 57 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.889 114.4 45.9 -61.5 -41.6 -22.9 9.8 4.5 57 62 A A H < S+ 0 0 87 -4,-2.2 2,-0.3 -5,-0.1 -1,-0.2 0.643 98.0 91.8 -75.5 -18.4 -22.8 6.2 5.6 58 63 A R S >X>S- 0 0 83 -4,-1.1 4,-1.6 -3,-0.4 3,-1.4 -0.609 74.6-137.0 -85.2 142.6 -24.8 6.8 8.8 59 64 A D H 3>5S+ 0 0 127 1,-0.3 4,-0.7 -2,-0.3 -1,-0.1 0.837 101.8 64.3 -63.2 -35.1 -28.6 6.5 8.8 60 65 A D H 345S+ 0 0 76 2,-0.1 -1,-0.3 3,-0.1 -4,-0.1 0.429 126.5 7.1 -72.2 -0.1 -29.0 9.7 10.8 61 66 A W H X45S+ 0 0 2 -3,-1.4 3,-1.7 -6,-0.3 -5,-0.2 0.399 131.4 46.7-136.7 -61.7 -27.6 11.8 7.9 62 67 A G H 3<5S+ 0 0 30 -7,-1.8 -3,-0.2 -4,-1.6 -2,-0.1 0.606 121.7 40.4 -64.3 -14.9 -27.0 9.7 4.8 63 68 A S T 3< - 0 0 51 1,-0.1 4,-2.1 -2,-0.0 5,-0.1 -0.543 27.5-109.1 -90.8 165.8 -35.4 12.7 4.2 66 71 A G H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 55,-0.2 0.881 121.4 56.2 -62.1 -38.3 -35.4 16.4 3.0 67 72 A A H > S+ 0 0 41 54,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.873 106.8 49.9 -60.6 -40.0 -38.1 17.2 5.7 68 73 A Q H > S+ 0 0 98 2,-0.2 4,-1.2 1,-0.2 3,-0.3 0.917 112.3 45.9 -65.1 -46.2 -35.7 15.9 8.4 69 74 A R H X S+ 0 0 19 -4,-2.1 4,-2.1 1,-0.2 3,-0.3 0.897 107.1 59.9 -65.3 -38.0 -32.8 18.0 7.1 70 75 A A H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.846 99.3 57.7 -56.3 -36.7 -35.2 21.0 6.8 71 76 A K H X S+ 0 0 156 -4,-1.3 4,-1.8 -3,-0.3 -1,-0.2 0.911 108.3 45.0 -64.8 -38.9 -35.8 20.7 10.6 72 77 A Y H X S+ 0 0 65 -4,-1.2 4,-2.3 -3,-0.3 -2,-0.2 0.917 111.2 53.3 -68.3 -44.2 -32.0 21.1 11.3 73 78 A L H X S+ 0 0 2 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.930 111.2 46.0 -55.6 -47.6 -31.7 24.0 8.9 74 79 A R H X S+ 0 0 86 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.848 110.4 53.8 -64.4 -36.1 -34.6 25.9 10.6 75 80 A A H X S+ 0 0 35 -4,-1.8 4,-1.8 2,-0.2 -1,-0.2 0.872 109.8 47.8 -67.1 -36.1 -33.1 25.2 14.0 76 81 A I H X S+ 0 0 0 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.939 111.5 50.9 -67.4 -45.6 -29.8 26.7 12.8 77 82 A A H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.891 109.9 49.7 -56.3 -45.0 -31.7 29.8 11.4 78 83 A A H X S+ 0 0 51 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.888 111.1 49.3 -62.2 -42.2 -33.5 30.3 14.8 79 84 A K H X S+ 0 0 48 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.835 109.2 51.8 -66.2 -39.8 -30.2 30.1 16.7 80 85 A V H < S+ 0 0 0 -4,-2.0 7,-0.2 2,-0.2 -2,-0.2 0.941 112.4 46.4 -63.1 -48.2 -28.6 32.7 14.4 81 86 A L H >< S+ 0 0 78 -4,-2.3 3,-1.3 1,-0.2 4,-0.3 0.904 110.6 52.1 -62.8 -41.4 -31.5 35.1 14.9 82 87 A E H 3< S+ 0 0 142 -4,-2.5 3,-0.3 1,-0.3 -1,-0.2 0.873 119.5 36.8 -58.9 -41.1 -31.5 34.5 18.8 83 88 A K T 3X S+ 0 0 48 -4,-1.9 4,-2.8 1,-0.2 5,-0.3 0.195 83.7 120.1 -95.6 12.4 -27.7 35.4 18.7 84 89 A K H <> S+ 0 0 62 -3,-1.3 4,-2.7 1,-0.2 5,-0.2 0.829 73.8 47.6 -47.5 -50.8 -28.0 38.1 16.0 85 90 A S H > S+ 0 0 95 -4,-0.3 4,-2.0 -3,-0.3 -1,-0.2 0.914 116.8 43.7 -61.7 -44.7 -26.6 41.0 18.1 86 91 A V H > S+ 0 0 92 -3,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.925 116.9 44.8 -63.2 -53.3 -23.6 39.0 19.3 87 92 A L H X S+ 0 0 3 -4,-2.8 4,-2.6 -7,-0.2 -2,-0.2 0.894 112.6 52.0 -60.7 -43.4 -22.8 37.4 15.8 88 93 A A H X S+ 0 0 3 -4,-2.7 4,-2.0 -5,-0.3 -2,-0.2 0.912 110.8 47.7 -61.0 -44.5 -23.2 40.9 14.1 89 94 A T H X S+ 0 0 24 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.911 113.2 48.6 -62.0 -45.0 -20.7 42.5 16.6 90 95 A L H X S+ 0 0 5 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.912 109.1 52.7 -60.5 -42.9 -18.3 39.6 16.1 91 96 A E H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 6,-0.6 0.901 112.5 45.7 -60.5 -43.3 -18.6 39.9 12.2 92 97 A S H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.910 112.6 49.7 -66.6 -46.2 -17.8 43.7 12.4 93 98 A L H < S+ 0 0 17 -4,-2.4 -64,-0.3 1,-0.2 -2,-0.2 0.864 118.3 40.2 -60.1 -39.3 -14.8 43.2 14.8 94 99 A D H < S+ 0 0 3 -4,-2.3 -68,-0.2 -5,-0.2 -2,-0.2 0.875 129.8 22.5 -75.2 -46.9 -13.3 40.5 12.6 95 100 A S H < S- 0 0 5 -4,-2.4 -3,-0.2 -5,-0.2 -2,-0.2 0.630 94.8-116.9-104.6 -20.0 -13.9 41.9 9.1 96 101 A G < + 0 0 0 -4,-2.3 -4,-0.2 -5,-0.3 -3,-0.1 0.336 62.5 150.1 92.4 -4.1 -14.3 45.7 9.5 97 102 A K - 0 0 3 -6,-0.6 -1,-0.3 233,-0.1 -2,-0.1 -0.337 56.3-101.7 -59.7 139.6 -17.9 45.4 8.2 98 103 A T > - 0 0 4 1,-0.1 4,-3.0 -3,-0.1 225,-0.2 -0.327 27.1-120.4 -62.6 148.5 -20.2 48.1 9.6 99 104 A L H > S+ 0 0 53 223,-2.9 4,-2.8 225,-0.3 5,-0.2 0.886 115.2 54.2 -57.9 -38.1 -22.4 46.8 12.4 100 105 A Y H > S+ 0 0 150 222,-0.3 4,-1.5 227,-0.2 -1,-0.2 0.897 112.3 42.9 -62.9 -40.9 -25.5 47.8 10.3 101 106 A E H > S+ 0 0 17 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.895 112.6 53.5 -72.1 -37.8 -24.2 45.7 7.4 102 107 A S H X S+ 0 0 0 -4,-3.0 4,-1.8 1,-0.2 -2,-0.2 0.913 109.0 49.2 -60.9 -42.7 -23.2 42.9 9.7 103 108 A A H X S+ 0 0 26 -4,-2.8 4,-1.6 1,-0.2 -1,-0.2 0.850 109.5 51.8 -63.2 -39.9 -26.8 42.8 11.2 104 109 A A H X S+ 0 0 39 -4,-1.5 4,-2.0 2,-0.2 -1,-0.2 0.860 106.9 53.9 -66.7 -37.2 -28.2 42.8 7.6 105 110 A D H X S+ 0 0 7 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.899 106.5 52.2 -63.9 -39.5 -25.9 39.8 6.8 106 111 A M H X S+ 0 0 0 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.882 108.3 50.1 -66.7 -35.7 -27.4 37.9 9.8 107 112 A D H X S+ 0 0 71 -4,-1.6 4,-2.6 1,-0.2 -1,-0.2 0.907 112.6 48.2 -63.8 -42.2 -31.0 38.5 8.6 108 113 A D H X S+ 0 0 86 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.831 107.4 54.9 -68.5 -33.7 -29.9 37.1 5.2 109 114 A V H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.952 111.7 44.5 -61.3 -51.4 -28.2 34.1 6.8 110 115 A A H X S+ 0 0 4 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.941 114.9 49.0 -59.0 -48.0 -31.5 33.2 8.5 111 116 A G H X S+ 0 0 28 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.828 110.4 50.6 -58.0 -39.8 -33.4 33.9 5.3 112 117 A C H X S+ 0 0 0 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.933 111.2 47.6 -66.0 -46.3 -31.0 31.7 3.3 113 118 A F H X S+ 0 0 0 -4,-2.4 4,-1.7 1,-0.2 -2,-0.2 0.877 113.4 50.7 -61.4 -37.3 -31.4 28.8 5.8 114 119 A E H X S+ 0 0 71 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.867 109.1 48.9 -66.5 -43.5 -35.2 29.3 5.6 115 120 A Y H X S+ 0 0 46 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.893 115.1 44.8 -65.4 -42.7 -35.3 29.2 1.8 116 121 A Y H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.800 107.4 57.2 -72.4 -28.9 -33.2 26.0 1.6 117 122 A A H X S+ 0 0 0 -4,-1.7 4,-1.8 2,-0.2 -2,-0.2 0.944 108.3 49.8 -64.1 -43.8 -35.2 24.4 4.4 118 123 A G H X S+ 0 0 28 -4,-1.9 4,-1.1 1,-0.2 -2,-0.2 0.910 111.5 47.1 -57.8 -46.4 -38.2 25.0 2.1 119 124 A L H X S+ 0 0 38 -4,-1.8 4,-1.5 1,-0.2 3,-0.3 0.867 107.4 56.9 -65.1 -37.8 -36.4 23.4 -0.9 120 125 A A H X S+ 0 0 0 -4,-2.5 4,-0.8 1,-0.2 -1,-0.2 0.888 103.6 54.6 -61.6 -37.7 -35.3 20.4 1.3 121 126 A E H < S+ 0 0 94 -4,-1.8 4,-0.4 -55,-0.2 -54,-0.2 0.840 111.9 43.6 -64.4 -34.6 -39.0 19.8 2.0 122 127 A A H X S+ 0 0 53 -4,-1.1 4,-0.6 -3,-0.3 3,-0.4 0.685 96.9 78.6 -82.9 -22.8 -39.8 19.7 -1.8 123 128 A L H >< S+ 0 0 26 -4,-1.5 3,-1.2 1,-0.2 4,-0.3 0.854 86.1 57.4 -56.3 -42.5 -36.7 17.5 -2.6 124 129 A D G >< S+ 0 0 43 -4,-0.8 3,-1.2 1,-0.3 4,-0.4 0.890 102.6 55.0 -59.6 -38.7 -38.3 14.2 -1.4 125 130 A S G 34 S+ 0 0 98 -3,-0.4 -1,-0.3 -4,-0.4 -2,-0.2 0.696 113.8 41.0 -70.1 -16.9 -41.1 14.6 -3.9 126 131 A R G << S+ 0 0 173 -3,-1.2 -1,-0.2 -4,-0.6 -2,-0.2 0.226 83.1 104.1-112.0 10.1 -38.6 15.0 -6.8 127 132 A R S < S+ 0 0 106 -3,-1.2 17,-2.5 -4,-0.3 2,-0.5 0.889 88.7 32.2 -57.5 -46.4 -36.1 12.2 -5.7 128 133 A M E S-I 143 0C 82 -4,-0.4 -1,-0.2 15,-0.2 15,-0.2 -0.978 70.5-175.6-119.8 117.0 -37.4 9.7 -8.3 129 134 A T E -I 142 0C 41 13,-2.4 13,-2.5 -2,-0.5 -3,-0.1 -0.915 18.5-143.3-116.5 104.4 -38.7 11.1 -11.7 130 135 A P E -I 141 0C 91 0, 0.0 2,-0.5 0, 0.0 11,-0.3 -0.362 17.9-146.7 -61.4 138.1 -40.1 8.5 -14.0 131 136 A V E -I 140 0C 28 9,-2.9 9,-0.7 -2,-0.0 2,-0.5 -0.959 10.2-126.2-115.7 128.3 -39.2 9.3 -17.6 132 137 A N - 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J 0 477C 31 332,-1.9 332,-2.6 -2,-0.5 29,-0.1 -0.879 48.6 -71.1-137.2 167.9 -29.2 11.8 -4.4 146 151 A P E - J 0 476C 36 0, 0.0 330,-0.3 0, 0.0 28,-0.1 -0.342 38.2-133.1 -60.9 143.4 -26.5 13.7 -2.3 147 152 A L - 0 0 21 328,-2.4 2,-0.4 1,-0.2 329,-0.1 0.860 45.7-127.9 -65.4 -33.3 -23.3 14.3 -4.3 148 153 A G + 0 0 8 327,-0.3 28,-2.2 78,-0.0 2,-0.5 -0.984 65.6 15.4 131.3-125.8 -21.3 13.2 -1.3 149 154 A V E -c 176 0A 4 -2,-0.4 78,-2.3 76,-0.2 79,-1.0 -0.794 68.6-170.8 -93.8 122.5 -18.4 14.9 0.5 150 155 A V E -cd 177 228A 0 26,-2.0 28,-2.7 -2,-0.5 2,-0.5 -0.965 15.7-149.1-121.5 131.0 -18.1 18.6 -0.6 151 156 A G E -cd 178 229A 0 77,-2.7 79,-2.7 -2,-0.4 2,-0.5 -0.874 13.7-164.8 -97.7 128.8 -15.4 21.1 0.2 152 157 A L E -cd 179 230A 0 26,-3.2 28,-3.4 -2,-0.5 2,-0.6 -0.962 4.2-171.7-120.9 114.5 -16.6 24.7 0.5 153 158 A I E -cd 180 231A 12 77,-2.5 79,-2.1 -2,-0.5 26,-0.1 -0.958 15.8-177.4-114.4 114.4 -13.9 27.4 0.3 154 159 A T - 0 0 7 26,-1.5 2,-0.2 -2,-0.6 79,-0.1 -0.735 18.9-117.7-118.2 158.2 -15.2 30.9 1.2 155 160 A P > - 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