==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-SEP-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 21-SEP-12 2LYY . COMPND 2 MOLECULE: UNCHARACTERIZED PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: SHEWANELLA ONEIDENSIS; . AUTHOR P.SERRANO,M.GERALT,B.PEDRINI,K.WUTHRICH,R.HORST,W.AUGUSTYNIA . 192 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11885.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 144 75.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 4 2.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 45 23.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 94 49.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 2 0 2 0 1 0 0 1 1 1 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 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 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 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 S 0 0 151 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -87.9 1.9 -0.9 0.2 2 2 A N + 0 0 149 1,-0.2 2,-0.4 2,-0.1 0, 0.0 0.805 360.0 35.0 -79.5 -31.1 1.5 -3.3 -2.8 3 3 A N S S- 0 0 67 1,-0.2 -1,-0.2 5,-0.1 4,-0.1 -0.965 70.9-160.7-122.0 139.9 -0.7 -5.5 -0.7 4 4 A E S S- 0 0 169 -2,-0.4 -1,-0.2 -3,-0.1 -2,-0.1 0.936 75.2 -35.2 -82.3 -81.2 -3.1 -4.2 1.9 5 5 A N S S+ 0 0 132 0, 0.0 2,-0.2 0, 0.0 -2,-0.0 0.468 122.5 70.3-120.4 -11.5 -4.1 -6.9 4.3 6 6 A A S S- 0 0 28 1,-0.0 2,-1.2 126,-0.0 3,-0.4 -0.618 93.0-101.4-108.7 169.5 -4.1 -9.9 2.0 7 7 A F > + 0 0 45 1,-0.2 4,-2.7 -2,-0.2 5,-0.4 -0.143 65.7 142.3 -82.8 42.0 -1.4 -11.8 0.1 8 8 A Y H > + 0 0 77 -2,-1.2 4,-1.7 1,-0.2 -1,-0.2 0.894 68.4 50.9 -50.4 -49.9 -2.1 -10.0 -3.1 9 9 A A H > S+ 0 0 48 -3,-0.4 4,-0.6 2,-0.2 -1,-0.2 0.894 115.3 41.4 -58.3 -44.1 1.5 -9.8 -4.2 10 10 A R H >> S+ 0 0 52 -3,-0.3 3,-1.9 2,-0.2 4,-0.9 0.963 113.8 49.0 -72.5 -51.0 2.2 -13.5 -3.6 11 11 A A H 3X S+ 0 0 0 -4,-2.7 4,-1.3 1,-0.3 -1,-0.2 0.761 103.7 65.2 -60.5 -24.7 -1.1 -14.9 -5.1 12 12 A T H 3X S+ 0 0 65 -4,-1.7 4,-1.4 -5,-0.4 -1,-0.3 0.805 95.6 55.5 -67.2 -28.5 -0.4 -12.7 -8.1 13 13 A E H X S+ 0 0 26 -4,-1.3 4,-1.2 -3,-0.4 3,-0.6 0.909 105.2 55.4 -68.3 -40.1 2.8 -18.6 -14.1 18 18 A A H 3X S+ 0 0 0 -4,-0.9 4,-1.8 1,-0.2 -2,-0.2 0.839 98.6 62.7 -62.1 -33.8 -0.5 -19.1 -15.8 19 19 A N H 3X S+ 0 0 83 -4,-1.6 4,-0.5 1,-0.2 -1,-0.2 0.897 101.1 51.8 -58.5 -40.8 0.2 -16.2 -18.1 20 20 A Q H << S+ 0 0 80 -4,-0.9 3,-0.4 -3,-0.6 -1,-0.2 0.839 110.0 47.9 -67.1 -34.8 3.2 -18.0 -19.5 21 21 A Q H >< S+ 0 0 16 -4,-1.2 3,-0.8 1,-0.2 -1,-0.2 0.799 109.1 53.7 -76.9 -28.0 1.2 -21.1 -20.3 22 22 A N H 3< S+ 0 0 49 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.541 85.6 85.8 -83.8 -6.3 -1.5 -19.1 -22.0 23 23 A Q T 3< + 0 0 144 -4,-0.5 2,-0.3 -3,-0.4 -1,-0.2 0.610 66.8 101.1 -70.0 -11.2 1.1 -17.4 -24.2 24 24 A N S X S- 0 0 73 -3,-0.8 3,-0.7 1,-0.1 -3,-0.0 -0.620 70.1-143.8 -80.3 135.5 0.7 -20.3 -26.6 25 25 A T T 3 S+ 0 0 131 -2,-0.3 -1,-0.1 1,-0.2 -3,-0.0 0.867 94.0 46.2 -70.1 -40.6 -1.5 -19.5 -29.6 26 26 A E T 3 S+ 0 0 126 2,-0.1 2,-0.2 0, 0.0 -1,-0.2 0.449 93.2 99.3 -87.4 1.3 -3.2 -22.9 -30.1 27 27 A I S < S- 0 0 33 -3,-0.7 2,-0.3 -5,-0.1 3,-0.0 -0.612 75.6-120.6 -86.9 147.8 -4.0 -23.3 -26.4 28 28 A Q >> - 0 0 115 -2,-0.2 3,-1.9 1,-0.1 4,-0.9 -0.665 12.0-132.8 -82.7 140.8 -7.4 -22.5 -25.0 29 29 A T H 3> S+ 0 0 46 -2,-0.3 4,-1.5 1,-0.3 3,-0.3 0.821 111.4 61.4 -59.3 -28.2 -7.5 -19.8 -22.3 30 30 A G H 3> S+ 0 0 29 1,-0.2 4,-1.4 2,-0.2 -1,-0.3 0.598 93.1 63.2 -74.1 -12.5 -9.8 -22.4 -20.6 31 31 A E H <> S+ 0 0 52 -3,-1.9 4,-1.4 2,-0.2 -1,-0.2 0.867 104.7 45.3 -78.6 -35.6 -6.9 -24.9 -20.5 32 32 A V H X S+ 0 0 0 -4,-0.9 4,-2.3 -3,-0.3 5,-0.2 0.897 112.7 50.0 -74.2 -40.9 -4.8 -22.7 -18.3 33 33 A S H X S+ 0 0 8 -4,-1.5 4,-2.0 1,-0.2 -1,-0.2 0.923 111.8 48.9 -61.5 -44.1 -7.7 -21.9 -15.9 34 34 A A H X S+ 0 0 33 -4,-1.4 4,-3.0 2,-0.2 5,-0.2 0.818 107.9 55.3 -65.4 -31.0 -8.5 -25.6 -15.7 35 35 A S H X S+ 0 0 0 -4,-1.4 4,-2.1 2,-0.2 -2,-0.2 0.920 109.4 45.2 -67.9 -42.5 -4.8 -26.2 -15.0 36 36 A F H X S+ 0 0 0 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.854 113.2 54.8 -64.6 -33.7 -4.9 -23.8 -12.1 37 37 A M H X S+ 0 0 17 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.973 110.8 40.4 -62.2 -60.1 -8.1 -25.5 -11.1 38 38 A W H X S+ 0 0 36 -4,-3.0 4,-1.3 1,-0.2 -1,-0.2 0.832 112.5 58.9 -59.4 -33.9 -6.7 -29.0 -11.0 39 39 A A H X S+ 0 0 0 -4,-2.1 4,-2.8 -5,-0.2 3,-0.3 0.916 107.5 44.3 -64.3 -43.0 -3.6 -27.6 -9.3 40 40 A L H X S+ 0 0 0 -4,-2.0 4,-2.9 1,-0.2 5,-0.4 0.862 106.1 62.8 -68.8 -34.1 -5.6 -26.2 -6.4 41 41 A A H < S+ 0 0 0 -4,-2.0 4,-0.4 1,-0.2 -1,-0.2 0.832 114.4 33.1 -59.6 -33.1 -7.5 -29.5 -6.3 42 42 A R H < S+ 0 0 76 -4,-1.3 4,-0.4 -3,-0.3 -2,-0.2 0.890 120.6 47.7 -87.3 -45.6 -4.3 -31.2 -5.4 43 43 A Y H < S+ 0 0 22 -4,-2.8 3,-0.4 1,-0.2 -2,-0.2 0.829 114.7 45.6 -68.2 -33.2 -2.6 -28.5 -3.4 44 44 A N S >< S+ 0 0 12 -4,-2.9 3,-1.1 1,-0.2 -1,-0.2 0.738 103.0 62.3 -86.5 -23.0 -5.6 -27.7 -1.2 45 45 A A G > S+ 0 0 1 -4,-0.4 3,-2.0 -5,-0.4 4,-0.3 0.599 81.5 87.5 -75.3 -10.4 -6.4 -31.4 -0.5 46 46 A W G > S+ 0 0 111 -4,-0.4 3,-0.9 -3,-0.4 -1,-0.2 0.746 78.2 62.8 -59.7 -24.9 -3.0 -31.5 1.2 47 47 A F G X S+ 0 0 48 -3,-1.1 3,-1.3 1,-0.2 -1,-0.3 0.461 78.6 83.4 -86.7 -0.5 -4.6 -30.3 4.4 48 48 A G G X> S+ 0 0 0 -3,-2.0 3,-1.8 1,-0.2 4,-0.7 0.844 80.7 66.5 -65.1 -29.7 -6.8 -33.4 4.7 49 49 A S G <4 S+ 0 0 64 -3,-0.9 -1,-0.2 -4,-0.3 -2,-0.2 0.504 102.0 47.1 -71.6 -5.4 -3.9 -35.1 6.3 50 50 A T G <4 S+ 0 0 107 -3,-1.3 -1,-0.3 8,-0.1 -2,-0.2 0.199 91.3 82.0-119.2 14.8 -4.2 -32.7 9.3 51 51 A S T <4 S- 0 0 47 -3,-1.8 2,-0.3 1,-0.3 -2,-0.2 0.921 105.3 -0.6 -83.0 -47.8 -7.9 -33.1 9.8 52 52 A F < - 0 0 76 -4,-0.7 -1,-0.3 1,-0.1 6,-0.1 -0.923 62.4-124.8-142.5 165.1 -7.9 -36.3 11.8 53 53 A E S S+ 0 0 127 -2,-0.3 2,-0.3 -3,-0.1 -1,-0.1 0.873 93.7 48.7 -82.1 -41.8 -5.3 -38.8 13.0 54 54 A T S > S- 0 0 45 1,-0.1 4,-2.2 132,-0.0 3,-0.1 -0.764 78.3-131.1-100.9 149.2 -6.7 -42.0 11.5 55 55 A K H > S+ 0 0 41 -2,-0.3 4,-3.1 1,-0.2 5,-0.2 0.783 108.0 64.0 -68.1 -25.1 -7.7 -42.3 7.9 56 56 A E H > S+ 0 0 99 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.945 111.8 32.5 -60.5 -49.8 -10.9 -43.8 9.2 57 57 A Q H 4 S+ 0 0 96 1,-0.2 4,-0.3 2,-0.2 -2,-0.2 0.760 120.0 54.8 -81.1 -24.7 -12.0 -40.6 10.9 58 58 A M H >< S+ 0 0 9 -4,-2.2 3,-1.3 2,-0.2 -2,-0.2 0.905 103.7 53.2 -71.8 -44.5 -10.2 -38.5 8.2 59 59 A Q H >< S+ 0 0 79 -4,-3.1 3,-1.5 1,-0.3 4,-0.3 0.860 103.5 56.9 -62.7 -36.3 -12.1 -40.1 5.3 60 60 A A T 3< S+ 0 0 74 -4,-1.0 -1,-0.3 1,-0.3 3,-0.2 0.668 104.9 54.2 -69.0 -15.0 -15.5 -39.4 6.9 61 61 A K T <> S+ 0 0 53 -3,-1.3 4,-3.1 -4,-0.3 5,-0.4 0.375 76.7 102.3 -99.1 1.6 -14.5 -35.7 7.0 62 62 A K H <> S+ 0 0 39 -3,-1.5 4,-1.7 1,-0.3 -1,-0.2 0.927 86.7 41.1 -52.4 -48.5 -13.7 -35.6 3.3 63 63 A Q H > S+ 0 0 102 -4,-0.3 4,-0.6 -3,-0.2 -1,-0.3 0.812 116.1 51.4 -72.3 -28.7 -17.0 -33.8 2.5 64 64 A E H 4 S+ 0 0 113 -4,-0.2 4,-0.4 2,-0.2 3,-0.2 0.867 112.2 43.0 -78.2 -37.1 -16.8 -31.6 5.6 65 65 A M H >< S+ 0 0 21 -4,-3.1 3,-0.6 1,-0.2 -2,-0.2 0.803 113.2 54.1 -79.7 -26.1 -13.2 -30.4 4.9 66 66 A M H >X S+ 0 0 4 -4,-1.7 4,-2.2 -5,-0.4 3,-1.9 0.642 88.8 77.3 -81.2 -13.2 -14.0 -29.9 1.3 67 67 A D H 3X S+ 0 0 86 -4,-0.6 4,-1.1 1,-0.3 -1,-0.2 0.826 99.3 45.5 -65.3 -27.0 -17.1 -27.7 2.1 68 68 A Y H <4 S+ 0 0 135 -3,-0.6 -1,-0.3 -4,-0.4 -2,-0.2 0.148 108.4 57.4-102.8 16.0 -14.6 -25.0 2.7 69 69 A Y H <4 S+ 0 0 29 -3,-1.9 4,-0.2 3,-0.0 -2,-0.2 0.719 112.9 35.5-106.8 -45.7 -12.6 -25.7 -0.4 70 70 A M H >< S+ 0 0 10 -4,-2.2 3,-0.8 1,-0.2 -2,-0.2 0.993 128.1 33.6 -65.4 -60.7 -15.4 -25.3 -2.9 71 71 A D G >X S+ 0 0 61 -4,-1.1 3,-1.0 -5,-0.3 4,-0.7 0.659 102.8 75.4 -73.8 -16.6 -17.3 -22.4 -1.2 72 72 A R G 34 S+ 0 0 135 1,-0.3 -1,-0.2 2,-0.2 -2,-0.1 0.376 99.7 38.1 -96.9 3.0 -14.5 -20.5 0.4 73 73 A Y G <> S+ 0 0 0 -3,-0.8 4,-1.3 -4,-0.2 -1,-0.3 0.229 97.4 87.2-118.9 7.4 -13.0 -18.8 -2.6 74 74 A K H <> S+ 0 0 55 -3,-1.0 4,-2.9 2,-0.2 5,-0.2 0.894 85.1 48.6 -78.8 -39.1 -16.4 -18.2 -4.1 75 75 A E H X S+ 0 0 84 -4,-0.7 4,-1.2 1,-0.2 -1,-0.2 0.849 115.0 47.1 -70.2 -31.2 -17.2 -14.9 -2.3 76 76 A M H 4 S+ 0 0 58 2,-0.2 -1,-0.2 1,-0.2 4,-0.2 0.778 111.1 52.8 -77.0 -28.0 -13.7 -13.7 -3.4 77 77 A L H >X S+ 0 0 0 -4,-1.3 3,-1.7 2,-0.2 4,-0.7 0.933 108.5 48.6 -70.5 -46.9 -14.4 -15.0 -6.9 78 78 A D H >X S+ 0 0 53 -4,-2.9 4,-1.5 1,-0.3 3,-0.7 0.836 101.6 65.8 -60.3 -32.2 -17.7 -13.1 -7.1 79 79 A A H 3< S+ 0 0 63 -4,-1.2 -1,-0.3 1,-0.3 -2,-0.2 0.661 105.6 43.2 -65.6 -15.3 -15.8 -10.0 -5.9 80 80 A N H <4 S+ 0 0 34 -3,-1.7 4,-0.3 -4,-0.2 -1,-0.3 0.525 101.8 69.6-104.9 -10.3 -13.9 -10.2 -9.2 81 81 A M H XX S+ 0 0 0 -3,-0.7 4,-2.5 -4,-0.7 3,-2.3 0.941 92.6 56.1 -69.0 -48.4 -17.0 -10.8 -11.2 82 82 A E H 3X>S+ 0 0 53 -4,-1.5 4,-1.2 1,-0.3 5,-0.6 0.800 91.4 73.3 -56.5 -30.3 -18.5 -7.4 -10.7 83 83 A D H 345S+ 0 0 74 1,-0.2 -1,-0.3 -4,-0.2 -2,-0.2 0.770 115.3 23.5 -56.0 -25.8 -15.2 -5.9 -12.1 84 84 A Y H <45S+ 0 0 68 -3,-2.3 -2,-0.2 -4,-0.3 -1,-0.2 0.705 125.1 53.0-107.7 -32.2 -16.6 -7.1 -15.5 85 85 A I H ><5S+ 0 0 1 -4,-2.5 3,-1.7 2,-0.2 4,-0.3 0.993 115.8 32.6 -70.6 -63.6 -20.3 -7.2 -14.7 86 86 A E T 3<5S+ 0 0 113 -4,-1.2 -1,-0.2 1,-0.3 -3,-0.1 0.545 121.8 53.0 -76.8 -3.3 -21.1 -3.8 -13.4 87 87 A N T 3> S+ 0 0 50 -3,-1.7 4,-3.6 1,-0.2 5,-0.3 0.936 81.1 49.7 -52.5 -52.8 -19.9 -4.0 -18.8 89 89 A D H > S+ 0 0 92 -4,-0.3 4,-0.9 1,-0.2 -1,-0.2 0.837 110.8 52.2 -58.1 -33.5 -21.5 -0.8 -20.0 90 90 A H H > S+ 0 0 121 -3,-0.2 4,-0.5 2,-0.2 3,-0.3 0.954 114.8 38.7 -68.3 -51.8 -18.2 1.0 -19.5 91 91 A Y H >X S+ 0 0 103 -4,-2.6 3,-1.0 1,-0.2 4,-0.5 0.889 114.4 55.4 -65.0 -38.8 -16.1 -1.5 -21.5 92 92 A R H 3< S+ 0 0 102 -4,-3.6 3,-0.2 -5,-0.3 -1,-0.2 0.756 107.9 51.0 -63.0 -24.2 -19.0 -1.7 -24.0 93 93 A A H 3< S+ 0 0 52 -4,-0.9 -1,-0.3 -3,-0.3 -2,-0.2 0.578 105.6 54.8 -90.7 -11.9 -18.7 2.1 -24.2 94 94 A T H << S+ 0 0 96 -3,-1.0 2,-0.8 -4,-0.5 -2,-0.2 0.436 87.0 92.8 -99.8 -2.3 -15.0 1.9 -24.9 95 95 A Q < 0 0 134 -4,-0.5 -1,-0.1 -3,-0.2 -4,-0.0 -0.823 360.0 360.0 -99.9 105.9 -15.3 -0.5 -27.9 96 96 A K 0 0 243 -2,-0.8 -2,-0.0 0, 0.0 -3,-0.0 -0.811 360.0 360.0-141.9 360.0 -15.5 1.4 -31.1 97 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 98 201 B S 0 0 157 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -34.4 4.9 -37.4 -22.6 99 202 B N + 0 0 142 1,-0.1 2,-0.3 2,-0.1 0, 0.0 0.355 360.0 35.9 -90.6 5.1 4.9 -35.8 -19.2 100 203 B N - 0 0 61 1,-0.2 -1,-0.1 5,-0.1 4,-0.1 -0.982 66.2-150.9-156.1 145.4 1.1 -36.1 -19.1 101 204 B E S S- 0 0 164 -2,-0.3 -1,-0.2 2,-0.1 -2,-0.1 0.895 79.7 -32.4 -81.5 -90.6 -1.5 -38.6 -20.2 102 205 B N S S+ 0 0 138 2,-0.0 2,-0.2 3,-0.0 -2,-0.0 0.679 124.4 65.7-106.1 -26.1 -4.8 -37.0 -21.1 103 206 B A S S- 0 0 22 1,-0.1 2,-1.9 -68,-0.0 3,-0.4 -0.607 95.2-102.4-100.2 162.4 -4.8 -34.2 -18.6 104 207 B F >> + 0 0 37 1,-0.2 4,-2.6 -2,-0.2 3,-1.5 -0.137 66.7 141.2 -75.9 43.8 -2.6 -31.2 -18.3 105 208 B Y H 3> + 0 0 88 -2,-1.9 4,-1.4 1,-0.3 -1,-0.2 0.879 69.7 53.9 -54.2 -41.6 -0.6 -32.7 -15.5 106 209 B A H 34 S+ 0 0 26 -3,-0.4 -1,-0.3 2,-0.2 4,-0.1 0.692 115.6 39.7 -69.7 -19.8 2.7 -31.3 -16.9 107 210 B R H X> S+ 0 0 56 -3,-1.5 3,-2.6 2,-0.1 4,-0.9 0.910 111.3 51.5 -92.9 -57.0 1.2 -27.8 -16.9 108 211 B A H 3X S+ 0 0 0 -4,-2.6 4,-1.7 1,-0.3 3,-0.2 0.751 101.1 66.9 -51.5 -27.4 -0.8 -27.7 -13.7 109 212 B T H 3X S+ 0 0 66 -4,-1.4 4,-1.4 -5,-0.3 -1,-0.3 0.752 96.0 54.7 -69.5 -21.0 2.4 -28.9 -11.9 110 213 B E H <> S+ 0 0 75 -3,-2.6 4,-1.6 2,-0.2 -1,-0.2 0.805 102.9 56.0 -81.1 -29.5 4.1 -25.6 -12.8 111 214 B L H X S+ 0 0 0 -4,-0.9 4,-1.0 2,-0.2 3,-0.3 0.933 113.1 40.5 -63.6 -46.5 1.2 -23.7 -11.1 112 215 B I H X S+ 0 0 20 -4,-1.7 4,-1.2 1,-0.2 -2,-0.2 0.827 107.6 65.4 -67.6 -32.7 1.9 -25.7 -8.0 113 216 B K H X S+ 0 0 97 -4,-1.4 4,-1.0 1,-0.2 3,-0.2 0.862 97.1 53.6 -60.4 -36.9 5.6 -25.2 -8.7 114 217 B L H >X S+ 0 0 29 -4,-1.6 4,-1.3 -3,-0.3 3,-0.7 0.916 104.9 55.2 -63.3 -41.2 5.3 -21.5 -8.1 115 218 B A H 3X S+ 0 0 0 -4,-1.0 4,-1.5 1,-0.2 -1,-0.2 0.801 98.9 63.5 -60.1 -29.0 3.7 -22.2 -4.8 116 219 B N H 3< S+ 0 0 79 -4,-1.2 -1,-0.2 -3,-0.2 -2,-0.2 0.880 99.5 52.2 -64.3 -37.6 6.8 -24.2 -4.0 117 220 B Q H X< S+ 0 0 84 -4,-1.0 3,-0.9 -3,-0.7 -1,-0.2 0.888 112.3 43.9 -66.8 -40.0 9.0 -21.1 -4.2 118 221 B Q H >< S+ 0 0 14 -4,-1.3 3,-1.0 1,-0.2 -1,-0.2 0.742 107.4 61.3 -76.8 -22.2 6.8 -19.2 -1.7 119 222 B N T 3< S+ 0 0 58 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.485 84.4 79.6 -81.3 -3.3 6.7 -22.3 0.4 120 223 B Q T < + 0 0 143 -3,-0.9 2,-1.0 -4,-0.2 -1,-0.2 0.555 66.2 102.5 -78.9 -8.2 10.4 -22.0 0.8 121 224 B N X - 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