==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-MAY-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 11-JAN-11 2Y53 . COMPND 2 MOLECULE: ALDEHYDE DEHYDROGENASE (BOX PATHWAY); . SOURCE 2 ORGANISM_SCIENTIFIC: BURKHOLDERIA XENOVORANS LB400; . AUTHOR J.BAINS,R.LEON,K.G.TEMKE,M.J.BOULANGER . 1053 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35327.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 775 73.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 125 11.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 76 7.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.4 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 . 79 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 136 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 308 29.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 1.4 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 2 0 0 0 6 2 0 2 6 0 2 4 0 2 1 0 0 0 0 2 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 3 4 10 4 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 PARALLEL BRIDGES PER LADDER . 2 2 2 4 2 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 ANTIPARALLEL BRIDGES PER LADDER . 2 2 0 0 0 2 0 0 1 1 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 0 A H 0 0 222 0, 0.0 2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 116.9 -17.9 -27.8 -10.2 2 1 A M - 0 0 122 1,-0.1 3,-0.1 2,-0.0 33,-0.1 0.748 360.0-139.7-118.7 172.7 -15.6 -26.8 -8.8 3 2 A T - 0 0 39 1,-0.2 31,-0.2 31,-0.1 2,-0.1 -0.215 56.2 -71.2 -66.4 163.5 -13.3 -23.8 -9.4 4 3 A E E -a 34 0A 109 29,-0.5 31,-2.8 1,-0.1 2,-0.8 -0.321 40.0-139.8 -61.4 129.0 -9.5 -24.3 -8.9 5 4 A L E -a 35 0A 33 29,-0.2 31,-0.2 -3,-0.1 2,-0.2 -0.786 24.0-134.4 -88.9 115.0 -8.4 -24.7 -5.3 6 5 A L - 0 0 2 29,-3.2 31,-0.5 -2,-0.8 11,-0.4 -0.465 20.0-130.4 -73.0 133.1 -5.2 -22.7 -5.1 7 6 A K - 0 0 98 -2,-0.2 9,-0.2 9,-0.1 2,-0.2 -0.513 10.7-126.4 -83.8 155.0 -2.4 -24.6 -3.3 8 7 A N E -C 15 0B 1 7,-2.7 7,-2.6 -2,-0.1 2,-0.6 -0.602 13.0-136.9 -86.7 153.1 -0.2 -23.2 -0.5 9 8 A H E +CD 14 212B 15 203,-2.1 203,-1.7 5,-0.2 2,-0.4 -0.937 41.7 150.2-114.9 108.0 3.6 -23.3 -0.7 10 9 A V E > +C 13 0B 7 3,-2.5 3,-2.0 -2,-0.6 36,-0.1 -0.993 60.5 4.0-142.0 140.8 5.0 -24.4 2.7 11 10 A A T 3 S- 0 0 9 35,-0.4 -1,-0.1 -2,-0.4 3,-0.1 0.832 130.6 -56.3 50.9 40.5 8.1 -26.3 3.7 12 11 A G T 3 S+ 0 0 32 1,-0.2 2,-0.3 34,-0.1 -1,-0.3 0.595 119.3 93.8 77.2 14.3 9.2 -26.4 0.1 13 12 A Q E < S-C 10 0B 112 -3,-2.0 -3,-2.5 2,-0.0 2,-0.6 -0.938 76.1-116.6-138.9 155.1 6.1 -28.1 -1.2 14 13 A W E +C 9 0B 74 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.824 42.1 177.0 -89.9 123.2 2.7 -27.2 -2.8 15 14 A I E -C 8 0B 60 -7,-2.6 -7,-2.7 -2,-0.6 2,-0.3 -0.986 22.8-136.9-132.2 124.2 -0.0 -28.4 -0.4 16 15 A A - 0 0 43 -2,-0.4 2,-0.1 -9,-0.2 -9,-0.1 -0.589 19.9-125.3 -73.5 141.2 -3.7 -28.0 -0.6 17 16 A G - 0 0 4 20,-0.7 23,-0.2 -11,-0.4 21,-0.1 -0.467 33.5-114.2 -70.4 161.9 -5.8 -27.0 2.3 18 17 A T S S+ 0 0 87 21,-2.1 21,-0.4 -2,-0.1 3,-0.3 -0.291 70.8 40.6 -93.8 174.9 -8.6 -29.3 3.1 19 18 A G S S- 0 0 65 1,-0.2 -2,-0.0 -2,-0.1 18,-0.0 -0.218 105.7 -56.4 83.1-169.8 -12.4 -28.7 3.0 20 19 A A S S- 0 0 71 1,-0.2 -1,-0.2 3,-0.0 16,-0.0 0.634 76.3-150.0 -87.6 -14.9 -14.4 -26.8 0.4 21 20 A G - 0 0 32 -3,-0.3 2,-0.5 14,-0.1 16,-0.2 -0.082 25.1 -62.2 74.6-179.5 -12.4 -23.6 0.8 22 21 A I E -B 36 0A 82 14,-2.8 14,-2.3 164,-0.0 2,-0.3 -0.946 49.8-131.0-108.9 128.6 -13.4 -20.0 0.4 23 22 A T E -B 35 0A 68 -2,-0.5 2,-0.4 12,-0.2 12,-0.3 -0.605 10.6-151.6 -82.5 135.1 -14.5 -18.8 -3.1 24 23 A L E -B 34 0A 2 10,-3.3 9,-3.1 -2,-0.3 10,-0.9 -0.842 22.1-165.0-100.3 139.0 -13.0 -15.7 -4.7 25 24 A T E -B 32 0A 62 -2,-0.4 7,-0.2 7,-0.2 6,-0.1 -0.844 27.9-101.4-128.0 157.1 -15.4 -14.0 -7.1 26 25 A D > - 0 0 4 5,-2.3 4,-2.3 -2,-0.3 65,-0.2 -0.702 28.5-146.6 -75.9 122.2 -15.4 -11.3 -9.8 27 26 A P T 4 S+ 0 0 6 0, 0.0 352,-3.3 0, 0.0 312,-0.2 0.542 93.9 41.0 -75.5 -0.8 -16.7 -8.1 -8.2 28 27 A V T 4 S+ 0 0 3 62,-0.3 346,-0.4 350,-0.3 352,-0.1 0.781 128.5 23.5-101.4 -47.4 -18.3 -7.0 -11.5 29 28 A T T 4 S- 0 0 51 61,-0.2 349,-0.1 2,-0.1 61,-0.0 0.625 91.8-128.5-100.6 -12.8 -19.8 -10.1 -12.9 30 29 A G < + 0 0 41 -4,-2.3 2,-0.1 1,-0.2 3,-0.0 0.445 52.5 154.5 78.0 -1.0 -20.2 -12.3 -9.9 31 30 A V - 0 0 79 -6,-0.1 -5,-2.3 1,-0.1 2,-0.4 -0.349 49.6-117.5 -65.0 141.8 -18.4 -15.3 -11.5 32 31 A A E + B 0 25A 50 -7,-0.2 -7,-0.2 1,-0.2 -1,-0.1 -0.653 38.0 175.1 -75.0 130.5 -16.7 -17.7 -9.2 33 32 A L E - 0 0 28 -9,-3.1 -29,-0.5 1,-0.4 2,-0.3 0.900 49.7 -33.4-106.5 -58.3 -13.0 -17.6 -10.0 34 33 A V E -aB 4 24A 1 -10,-0.9 -10,-3.3 -31,-0.2 -1,-0.4 -0.889 52.8-124.9-158.0 169.1 -10.9 -19.8 -7.6 35 34 A R E -aB 5 23A 27 -31,-2.8 -29,-3.2 -2,-0.3 2,-0.3 -0.933 14.2-159.2-125.6 159.6 -10.9 -21.0 -4.0 36 35 A V E + B 0 22A 0 -14,-2.3 -14,-2.8 -2,-0.3 2,-0.3 -0.937 11.6 171.2-131.0 156.8 -8.4 -20.9 -1.2 37 36 A S - 0 0 3 -31,-0.5 -20,-0.7 177,-0.4 177,-0.3 -0.876 22.3-177.3-163.9 136.5 -7.9 -22.9 2.0 38 37 A S > + 0 0 13 -2,-0.3 3,-1.6 175,-0.1 177,-0.1 0.232 43.0 138.5-106.5 7.6 -5.3 -23.2 4.7 39 38 A E T 3 S+ 0 0 97 -21,-0.4 -21,-2.1 1,-0.2 -2,-0.0 -0.305 70.5 7.4 -64.8 132.5 -7.1 -25.9 6.6 40 39 A G T 3 S+ 0 0 72 1,-0.2 -1,-0.2 -23,-0.2 -24,-0.0 0.439 84.0 150.5 84.4 -0.8 -4.8 -28.6 7.9 41 40 A L < - 0 0 22 -3,-1.6 2,-1.3 1,-0.1 -1,-0.2 -0.356 53.7-119.9 -67.6 148.0 -1.5 -27.2 7.1 42 41 A D > + 0 0 87 1,-0.2 4,-2.0 2,-0.1 5,-0.1 -0.733 36.1 178.0 -82.0 87.3 1.5 -28.1 9.3 43 42 A L H > S+ 0 0 29 -2,-1.3 4,-2.4 1,-0.2 5,-0.3 0.828 72.7 62.3 -67.5 -34.3 2.3 -24.5 10.4 44 43 A A H > S+ 0 0 48 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.959 111.1 37.7 -54.5 -47.5 5.1 -25.6 12.7 45 44 A R H > S+ 0 0 122 2,-0.2 4,-2.5 1,-0.2 5,-0.4 0.840 110.4 60.4 -75.0 -31.2 7.0 -27.0 9.8 46 45 A A H X S+ 0 0 2 -4,-2.0 4,-1.5 1,-0.2 -35,-0.4 0.948 114.6 37.0 -56.2 -43.3 6.0 -24.2 7.4 47 46 A F H X S+ 0 0 0 -4,-2.4 4,-2.9 2,-0.2 -2,-0.2 0.884 117.4 49.9 -78.4 -37.1 7.7 -21.8 9.8 48 47 A S H X S+ 0 0 49 -4,-2.5 4,-3.3 -5,-0.3 5,-0.5 0.919 111.0 48.7 -71.5 -39.1 10.7 -24.0 10.8 49 48 A F H X>S+ 0 0 36 -4,-2.5 5,-2.2 2,-0.2 4,-0.8 0.931 115.4 44.6 -61.8 -47.5 11.6 -24.8 7.2 50 49 A A H <>S+ 0 0 0 -4,-1.5 5,-1.7 -5,-0.4 -2,-0.2 0.964 118.1 44.0 -56.5 -51.2 11.4 -21.2 6.2 51 50 A R H <5S+ 0 0 23 -4,-2.9 5,-0.2 3,-0.2 -2,-0.2 0.897 126.3 29.3 -65.3 -45.1 13.4 -20.0 9.3 52 51 A E H X5S+ 0 0 119 -4,-3.3 4,-2.1 -5,-0.2 5,-0.2 0.975 133.8 23.1 -81.8 -63.3 16.1 -22.8 9.2 53 52 A D H X5S+ 0 0 88 -4,-0.8 4,-2.3 -5,-0.5 5,-0.2 0.933 127.8 45.2 -73.7 -45.0 16.5 -23.8 5.6 54 53 A G H >< S+ 0 0 2 -4,-2.4 3,-1.0 -5,-0.2 -1,-0.2 0.924 111.7 51.9 -68.3 -40.6 19.6 -16.7 1.8 59 58 A R H 3< S+ 0 0 52 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.747 99.4 64.6 -66.6 -24.6 22.3 -15.8 4.3 60 59 A A H 3< S+ 0 0 72 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.734 96.6 71.5 -66.4 -23.8 24.8 -17.9 2.4 61 60 A L S << S- 0 0 26 -3,-1.0 2,-0.2 -4,-0.6 3,-0.0 -0.499 88.3-118.9 -87.9 158.7 24.4 -15.6 -0.5 62 61 A T > - 0 0 11 -2,-0.2 4,-2.4 1,-0.1 5,-0.3 -0.508 30.9-102.9 -85.5 168.5 25.7 -12.0 -0.5 63 62 A Y H > S+ 0 0 0 60,-2.0 4,-2.8 58,-0.3 59,-0.2 0.946 123.3 49.5 -57.1 -43.1 23.5 -8.9 -0.8 64 63 A A H > S+ 0 0 15 57,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.902 108.2 52.6 -72.4 -30.0 24.4 -8.5 -4.4 65 64 A Q H > S+ 0 0 73 56,-0.3 4,-1.6 2,-0.2 -1,-0.2 0.895 111.2 46.7 -66.4 -40.7 23.7 -12.1 -5.2 66 65 A R H X S+ 0 0 5 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.921 110.1 53.9 -66.1 -37.8 20.2 -11.8 -3.7 67 66 A A H X S+ 0 0 1 -4,-2.8 4,-2.2 -5,-0.3 -2,-0.2 0.907 105.4 53.2 -62.9 -35.1 19.7 -8.5 -5.6 68 67 A A H X S+ 0 0 53 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.879 107.0 52.1 -70.9 -31.7 20.6 -10.4 -8.9 69 68 A R H X S+ 0 0 75 -4,-1.6 4,-2.3 1,-0.2 -1,-0.2 0.896 108.0 52.4 -64.7 -40.5 17.9 -13.0 -8.0 70 69 A L H X S+ 0 0 1 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.908 106.6 53.5 -62.1 -41.5 15.4 -10.1 -7.5 71 70 A A H X S+ 0 0 40 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.881 106.9 50.5 -62.1 -32.9 16.4 -8.9 -11.0 72 71 A D H X S+ 0 0 80 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.891 107.8 53.9 -66.4 -35.3 15.6 -12.3 -12.4 73 72 A I H X S+ 0 0 0 -4,-2.3 4,-3.1 1,-0.2 5,-0.3 0.933 104.7 54.7 -66.9 -38.4 12.2 -12.1 -10.7 74 73 A V H X S+ 0 0 21 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.928 108.7 47.8 -56.4 -47.7 11.6 -8.8 -12.4 75 74 A K H X S+ 0 0 151 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.908 112.7 49.3 -63.3 -38.5 12.2 -10.3 -15.8 76 75 A L H X S+ 0 0 33 -4,-2.2 4,-1.4 2,-0.2 -2,-0.2 0.942 112.7 46.3 -61.4 -50.1 9.9 -13.3 -15.0 77 76 A L H < S+ 0 0 0 -4,-3.1 4,-0.3 1,-0.2 3,-0.3 0.908 110.6 53.5 -63.3 -37.3 7.1 -11.1 -13.8 78 77 A Q H >< S+ 0 0 95 -4,-2.6 3,-1.3 -5,-0.3 4,-0.2 0.936 107.8 50.7 -61.9 -38.8 7.5 -8.8 -16.8 79 78 A A H 3< S+ 0 0 84 -4,-2.1 3,-0.3 1,-0.3 -1,-0.2 0.775 113.6 46.1 -67.7 -26.5 7.2 -11.8 -19.2 80 79 A K T >X S+ 0 0 72 -4,-1.4 4,-1.6 -3,-0.3 3,-1.0 0.268 75.1 113.1-100.5 7.3 4.0 -12.9 -17.4 81 80 A R H <> S+ 0 0 57 -3,-1.3 4,-2.7 -4,-0.3 5,-0.2 0.830 70.7 60.5 -56.6 -35.1 2.2 -9.6 -17.2 82 81 A G H 3> S+ 0 0 55 -3,-0.3 4,-1.5 1,-0.2 -1,-0.3 0.914 106.0 48.1 -62.8 -38.2 -0.6 -10.6 -19.6 83 82 A D H <> S+ 0 0 71 -3,-1.0 4,-2.0 2,-0.2 -1,-0.2 0.892 112.5 50.0 -61.8 -40.2 -1.6 -13.4 -17.2 84 83 A Y H X S+ 0 0 0 -4,-1.6 4,-2.7 1,-0.2 -2,-0.2 0.932 108.2 51.1 -70.3 -37.8 -1.5 -10.9 -14.3 85 84 A Y H X S+ 0 0 11 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.848 108.8 51.9 -66.1 -37.6 -3.7 -8.3 -16.0 86 85 A A H X S+ 0 0 63 -4,-1.5 4,-1.9 -5,-0.2 -1,-0.2 0.919 111.6 46.5 -66.8 -40.9 -6.3 -11.0 -16.8 87 86 A I H X S+ 0 0 6 -4,-2.0 4,-3.2 2,-0.2 5,-0.4 0.933 112.4 51.1 -63.3 -39.9 -6.4 -12.0 -13.1 88 87 A A H X>S+ 0 0 6 -4,-2.7 4,-2.3 1,-0.2 5,-0.9 0.906 108.5 51.3 -66.3 -44.6 -6.6 -8.3 -12.0 89 88 A T H X5S+ 0 0 29 -4,-2.4 4,-1.0 3,-0.2 -1,-0.2 0.939 118.9 36.3 -58.3 -50.6 -9.5 -7.6 -14.3 90 89 A A H <5S+ 0 0 15 -4,-1.9 -62,-0.3 -5,-0.2 -61,-0.2 0.915 126.1 34.6 -73.7 -44.2 -11.5 -10.5 -13.1 91 90 A N H <5S+ 0 0 2 -4,-3.2 -3,-0.2 -5,-0.2 -66,-0.2 0.827 130.8 28.1 -83.1 -32.5 -10.6 -10.6 -9.4 92 91 A S H <5S- 0 0 6 -4,-2.3 -3,-0.2 -5,-0.4 -2,-0.1 0.615 87.8-136.6-104.2 -19.0 -10.3 -6.8 -8.7 93 92 A G << + 0 0 0 -4,-1.0 245,-2.1 -5,-0.9 2,-0.3 0.767 52.2 148.9 71.6 20.5 -12.6 -5.3 -11.2 94 93 A T - 0 0 6 -6,-0.8 -1,-0.2 243,-0.2 -2,-0.1 -0.637 51.4-111.2 -91.9 144.7 -10.0 -2.5 -12.0 95 94 A T > - 0 0 13 -2,-0.3 4,-2.9 240,-0.1 5,-0.2 -0.233 40.3-102.5 -56.6 159.4 -9.5 -0.8 -15.4 96 95 A R H > S+ 0 0 144 233,-0.4 4,-2.0 1,-0.2 -1,-0.1 0.919 124.3 50.9 -56.6 -42.5 -6.2 -1.7 -17.1 97 96 A N H > S+ 0 0 132 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.895 112.9 45.4 -64.2 -34.7 -4.7 1.6 -16.0 98 97 A D H >> S+ 0 0 14 1,-0.2 4,-0.7 2,-0.2 3,-0.6 0.876 108.9 55.2 -75.4 -39.2 -5.7 1.0 -12.4 99 98 A S H >X S+ 0 0 2 -4,-2.9 4,-2.9 1,-0.2 3,-0.9 0.859 100.8 63.0 -56.1 -37.6 -4.5 -2.6 -12.5 100 99 A A H 3X>S+ 0 0 24 -4,-2.0 5,-1.7 1,-0.3 4,-1.0 0.835 89.5 64.6 -58.8 -32.8 -1.1 -1.2 -13.5 101 100 A V H <<5S+ 0 0 41 -4,-0.8 -1,-0.3 -3,-0.6 -2,-0.2 0.866 114.5 33.7 -57.0 -39.4 -0.7 0.6 -10.2 102 101 A D H < S+ 0 0 33 -4,-2.7 3,-0.8 -5,-0.2 4,-0.4 0.906 109.3 57.6 -62.6 -40.8 19.8 -0.6 -5.2 117 116 A G H >< S+ 0 0 0 -4,-2.7 3,-1.5 1,-0.3 4,-0.4 0.819 94.2 63.8 -62.9 -33.5 20.7 -4.0 -3.8 118 117 A A H >< S+ 0 0 58 -4,-1.4 3,-1.4 -3,-0.3 -1,-0.3 0.894 98.4 58.0 -57.4 -35.9 23.5 -4.5 -6.2 119 118 A S T << S+ 0 0 47 -4,-0.9 -1,-0.2 -3,-0.8 -2,-0.2 0.599 88.5 73.8 -73.8 -2.9 25.2 -1.5 -4.5 120 119 A L T < S- 0 0 0 -3,-1.5 -1,-0.3 -4,-0.4 -57,-0.2 0.694 96.7-154.0 -80.2 -18.2 25.1 -3.3 -1.1 121 120 A G < - 0 0 12 -3,-1.4 -57,-2.5 -4,-0.4 2,-1.2 -0.062 26.0 -40.6 85.7-176.3 27.9 -5.4 -2.5 122 121 A E S S+ 0 0 125 -59,-0.2 2,-0.3 -58,-0.1 -1,-0.1 -0.433 96.9 99.2 -95.5 58.5 29.5 -8.8 -2.1 123 122 A V - 0 0 16 -2,-1.2 -60,-2.0 -3,-0.1 -59,-0.2 -0.859 67.4-135.1-137.3 173.6 29.3 -9.1 1.7 124 123 A H S S+ 0 0 96 400,-0.7 2,-0.3 -2,-0.3 401,-0.1 0.268 88.3 39.6-119.7 5.8 27.1 -10.7 4.4 125 124 A A E S-i 525 0C 8 399,-0.5 401,-0.6 22,-0.1 2,-0.3 -0.977 75.3-130.2-150.6 151.6 26.8 -7.7 6.8 126 125 A L E -iJ 526 146C 0 20,-2.7 20,-2.4 -2,-0.3 2,-0.5 -0.799 18.9-119.2-107.1 148.8 26.3 -4.0 6.3 127 126 A R E - J 0 145C 75 399,-2.2 2,-0.8 -2,-0.3 18,-0.2 -0.752 18.5-155.2 -84.7 126.8 28.3 -1.2 7.8 128 127 A D E - J 0 144C 30 16,-2.3 16,-0.7 -2,-0.5 399,-0.1 -0.843 61.5 -48.8-105.4 100.7 26.2 1.3 9.9 129 128 A G E S- 0 0 33 -2,-0.8 2,-0.2 14,-0.1 14,-0.0 -0.319 86.7 -61.9 66.9-159.2 28.0 4.6 9.8 130 129 A S E - 0 0 80 1,-0.1 14,-0.3 -3,-0.1 12,-0.1 -0.748 58.3 -70.2-122.5 176.2 31.8 4.7 10.6 131 130 A A E - 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A 0 678D 9 -360,-2.9 -360,-2.4 -2,-0.3 2,-0.3 -0.974 25.2-140.4-100.7 135.8 8.9 11.3 13.5 1039 509 B R E - A 0 677D 45 -2,-0.5 2,-0.4 -362,-0.2 -362,-0.2 -0.673 22.6-179.2 -92.4 140.1 10.4 10.8 10.1 1040 510 B S E - A 0 676D 0 -364,-2.5 -364,-2.6 -2,-0.3 2,-0.7 -0.999 25.5-134.4-140.1 141.5 8.7 12.2 7.0 1041 511 B A E -yA 460 675D 0 -582,-2.5 -580,-2.5 -2,-0.4 2,-0.6 -0.847 20.4-160.0 -88.3 120.3 9.4 12.1 3.2 1042 512 B I E -yA 461 674D 2 -368,-2.5 -368,-2.2 -2,-0.7 2,-0.5 -0.876 7.8-172.4-101.5 120.7 9.0 15.6 1.7 1043 513 B Q E +yA 462 673D 0 -582,-3.0 -580,-3.4 -2,-0.6 2,-0.3 -0.972 27.9 125.5-116.1 124.9 8.5 15.4 -2.0 1044 514 B A E - A 0 672D 2 -372,-2.6 -372,-2.7 -2,-0.5 5,-0.1 -0.983 62.5 -49.2-163.0 171.9 8.5 18.8 -3.8 1045 515 B A E > - A 0 671D 2 -2,-0.3 4,-1.5 -374,-0.2 3,-0.5 -0.235 59.8-114.6 -48.3 139.2 9.8 21.1 -6.5 1046 516 B S H > S+ 0 0 41 -376,-2.3 4,-1.7 1,-0.2 -1,-0.1 0.832 115.8 56.5 -58.4 -31.7 13.6 21.1 -6.2 1047 517 B A H > S+ 0 0 64 -377,-0.2 4,-2.4 1,-0.2 3,-0.3 0.941 107.3 50.0 -62.9 -43.6 13.7 24.8 -5.1 1048 518 B A H > S+ 0 0 0 -3,-0.5 4,-1.9 1,-0.3 -1,-0.2 0.748 107.3 53.3 -62.6 -39.4 11.4 24.0 -2.2 1049 519 B I H X S+ 0 0 6 -4,-1.5 4,-1.1 2,-0.2 -1,-0.3 0.773 109.4 51.3 -67.5 -32.7 13.7 21.1 -1.2 1050 520 B G H X S+ 0 0 22 -4,-1.7 4,-1.4 -3,-0.3 3,-0.5 0.963 110.5 45.0 -62.3 -56.3 16.5 23.7 -1.2 1051 521 B T H X S+ 0 0 36 -4,-2.4 4,-0.7 1,-0.3 -2,-0.2 0.802 111.0 56.1 -59.6 -36.0 14.6 26.2 1.1 1052 522 B L H >< S+ 0 0 1 -4,-1.9 3,-0.8 1,-0.2 -1,-0.3 0.902 106.9 50.3 -49.0 -48.2 13.7 23.1 3.4 1053 523 B T H >< S+ 0 0 31 -4,-1.1 3,-0.5 -3,-0.5 -2,-0.2 0.741 102.0 58.5 -75.5 -29.7 17.4 22.5 3.6 1054 524 B Q H 3< S+ 0 0 157 -4,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.680 111.7 44.5 -64.7 -22.4 18.2 26.0 4.6 1055 525 B A T << 0 0 47 -3,-0.8 -400,-0.7 -4,-0.7 -399,-0.4 0.439 360.0 360.0-100.6 -1.0 15.8 25.5 7.6 1056 526 B T < 0 0 20 -3,-0.5 -399,-0.2 -4,-0.2 -403,-0.1 -0.809 360.0 360.0-128.0 360.0 17.1 22.0 8.6