==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 05-JUN-13 4L39 . COMPND 2 MOLECULE: 4-SUBSTITUTED BENZOATES-GLUTAMATE LIGASE GH3.12; . SOURCE 2 ORGANISM_SCIENTIFIC: ARABIDOPSIS THALIANA; . AUTHOR C.ZUBIETA,J.M.JEZ,E.BROWN,R.MARCELLIN,U.KAPP,A.ROUND,C.WESTF . 1082 13 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 46531.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 723 66.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 52 4.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 109 10.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 5 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 75 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 126 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 299 27.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.1 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 7 5 4 4 5 2 1 4 4 1 2 0 0 0 0 0 2 0 0 0 1 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 4 2 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 0 PARALLEL BRIDGES PER LADDER . 2 13 3 2 1 2 0 2 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 1 3 2 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 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 9 A E > 0 0 110 0, 0.0 4,-1.7 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -62.6 28.4 14.4 -46.4 2 10 A T H > + 0 0 113 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.882 360.0 61.6 -54.4 -34.6 31.3 12.0 -46.1 3 11 A F H > S+ 0 0 14 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.948 101.3 45.8 -63.2 -53.8 29.2 10.5 -43.2 4 12 A E H > S+ 0 0 57 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.898 117.3 47.1 -53.8 -43.3 26.2 9.4 -45.2 5 13 A K H X S+ 0 0 128 -4,-1.7 4,-2.8 2,-0.2 5,-0.2 0.903 110.3 50.8 -64.9 -44.2 28.6 7.9 -47.8 6 14 A Q H X S+ 0 0 58 -4,-3.1 4,-2.2 1,-0.2 -2,-0.2 0.935 114.5 43.8 -61.7 -45.7 30.8 6.2 -45.3 7 15 A L H X S+ 0 0 3 -4,-2.8 4,-1.1 -5,-0.2 -1,-0.2 0.852 111.6 54.8 -69.0 -34.7 27.9 4.5 -43.6 8 16 A K H >< S+ 0 0 112 -4,-2.0 3,-0.5 -5,-0.3 4,-0.4 0.934 110.9 44.4 -62.5 -45.2 26.4 3.7 -47.0 9 17 A D H >X S+ 0 0 75 -4,-2.8 3,-0.9 1,-0.2 4,-0.8 0.895 113.1 53.1 -65.2 -36.6 29.5 1.9 -48.1 10 18 A L H 3< S+ 0 0 27 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.705 112.0 41.4 -76.7 -15.6 29.7 0.2 -44.8 11 19 A T T << S+ 0 0 0 -4,-1.1 384,-2.4 -3,-0.5 385,-0.8 0.317 107.4 65.5-111.1 12.0 26.2 -1.2 -44.8 12 20 A S T <4 S+ 0 0 35 -3,-0.9 2,-1.0 -4,-0.4 3,-0.3 0.923 98.1 36.0-109.0 -57.4 26.1 -2.3 -48.4 13 21 A N S X S+ 0 0 78 -4,-0.8 4,-2.0 1,-0.2 5,-0.2 -0.544 73.8 147.9 -95.3 64.1 28.5 -5.0 -49.4 14 22 A V H > + 0 0 2 -2,-1.0 4,-2.0 -3,-0.2 5,-0.2 0.907 65.8 52.8 -73.3 -41.8 28.0 -6.7 -46.0 15 23 A K H > S+ 0 0 124 -3,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.919 110.9 50.7 -56.9 -49.6 28.5 -10.3 -47.2 16 24 A S H >> S+ 0 0 47 2,-0.2 4,-3.1 1,-0.2 3,-1.0 0.981 111.0 42.4 -53.6 -68.8 31.7 -9.3 -48.8 17 25 A I H 3X S+ 0 0 58 -4,-2.0 4,-2.0 1,-0.3 -1,-0.2 0.803 112.4 56.1 -56.8 -30.4 33.5 -7.6 -46.0 18 26 A Q H 3X S+ 0 0 1 -4,-2.0 4,-1.9 -5,-0.2 -1,-0.3 0.841 112.1 42.4 -65.9 -37.0 32.3 -10.3 -43.5 19 27 A D H X S+ 0 0 0 -4,-1.9 4,-2.8 1,-0.2 3,-0.6 0.949 109.9 52.5 -59.2 -45.5 36.8 -14.0 -41.9 23 31 A E H 3X S+ 0 0 90 -4,-3.1 4,-2.0 1,-0.2 -2,-0.2 0.911 107.1 51.2 -51.9 -51.9 39.7 -14.4 -44.4 24 32 A E H 3< S+ 0 0 101 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.783 114.5 44.9 -56.4 -28.7 41.9 -11.8 -42.4 25 33 A I H < S+ 0 0 1 -4,-2.8 3,-0.6 1,-0.2 4,-0.4 0.839 102.7 66.9 -65.3 -42.9 41.7 -17.3 -40.2 27 35 A T G >< S+ 0 0 72 -4,-2.0 3,-1.3 1,-0.3 -1,-0.2 0.899 105.9 38.2 -55.9 -55.3 44.7 -17.1 -42.5 28 36 A P G >4 S+ 0 0 44 0, 0.0 3,-1.0 0, 0.0 -1,-0.3 0.789 111.6 66.4 -61.1 -22.6 47.3 -16.1 -40.1 29 37 A N G X< + 0 0 0 -4,-0.7 3,-1.7 -3,-0.6 6,-0.3 0.362 65.7 89.8 -95.4 10.1 45.7 -18.3 -37.6 30 38 A T G < S+ 0 0 40 -3,-1.3 -1,-0.3 -4,-0.4 -3,-0.1 0.675 83.1 69.6 -64.0 -16.0 46.4 -21.7 -39.2 31 39 A K G < S+ 0 0 145 -3,-1.0 -1,-0.3 -4,-0.2 2,-0.2 0.479 82.1 100.4 -77.6 -2.6 49.5 -21.3 -37.0 32 40 A T S <> S- 0 0 0 -3,-1.7 4,-1.5 44,-0.1 43,-0.3 -0.538 73.7-134.3 -96.5 152.3 47.5 -21.7 -33.8 33 41 A E H > S+ 0 0 80 41,-1.4 4,-1.3 -2,-0.2 43,-0.2 0.903 105.9 55.2 -59.2 -41.2 47.2 -24.7 -31.6 34 42 A Y H > S+ 0 0 8 41,-2.2 4,-0.5 40,-0.3 -1,-0.2 0.891 111.9 39.3 -68.8 -44.4 43.4 -24.2 -31.4 35 43 A L H 4>S+ 0 0 0 -6,-0.3 5,-1.9 1,-0.2 3,-0.5 0.782 109.8 61.2 -74.2 -26.7 42.7 -24.1 -35.1 36 44 A Q H ><5S+ 0 0 110 -4,-1.5 3,-1.1 1,-0.2 -2,-0.2 0.829 97.7 59.9 -68.9 -27.6 45.1 -26.9 -35.8 37 45 A R H 3<5S+ 0 0 160 -4,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.771 105.9 47.2 -67.9 -28.4 43.0 -29.1 -33.6 38 46 A F T 3<5S- 0 0 38 -4,-0.5 -1,-0.2 -3,-0.5 -2,-0.2 0.209 116.9-111.1-102.7 18.2 40.0 -28.7 -35.8 39 47 A L T < 5 + 0 0 119 -3,-1.1 2,-1.0 1,-0.2 -3,-0.2 0.756 61.5 152.8 66.2 30.7 41.9 -29.3 -39.1 40 48 A I < + 0 0 2 -5,-1.9 -1,-0.2 1,-0.2 -2,-0.1 -0.785 5.3 151.6 -92.3 93.7 41.8 -25.8 -40.5 41 49 A D + 0 0 92 -2,-1.0 2,-0.3 -3,-0.1 -1,-0.2 0.343 65.0 18.5-111.8 -2.1 44.9 -25.8 -42.6 42 50 A R S S- 0 0 140 -3,-0.1 2,-0.8 2,-0.1 0, 0.0 -0.889 97.2 -78.7-148.9 176.9 43.9 -23.3 -45.2 43 51 A F + 0 0 61 -2,-0.3 2,-0.3 -3,-0.0 -20,-0.1 -0.805 62.4 146.1 -84.4 112.1 41.2 -20.6 -45.5 44 52 A D > - 0 0 60 -2,-0.8 4,-2.2 1,-0.1 5,-0.1 -0.895 36.3-157.7-149.5 122.0 37.9 -22.2 -46.3 45 53 A K H > S+ 0 0 30 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.938 95.8 44.0 -63.4 -48.9 34.6 -20.9 -45.1 46 54 A E H > S+ 0 0 132 1,-0.3 4,-2.7 2,-0.2 -1,-0.2 0.901 114.0 51.7 -68.3 -35.4 32.6 -24.1 -45.4 47 55 A L H > S+ 0 0 46 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.874 110.2 50.0 -65.0 -38.1 35.5 -26.0 -43.8 48 56 A F H X S+ 0 0 1 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.931 112.5 45.1 -64.0 -50.4 35.5 -23.6 -41.0 49 57 A K H < S+ 0 0 61 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.823 115.5 50.8 -63.2 -35.8 31.7 -23.9 -40.5 50 58 A K H < S+ 0 0 169 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.933 123.6 21.6 -63.9 -52.0 32.1 -27.7 -40.7 51 59 A N H < S+ 0 0 47 -4,-2.6 -3,-0.2 -5,-0.1 -2,-0.2 0.795 97.9 86.4-100.3 -33.6 34.9 -28.3 -38.2 52 60 A V S < S- 0 0 1 -4,-2.5 -17,-0.1 -5,-0.3 -1,-0.0 -0.568 75.0-133.8 -78.4 114.0 35.1 -25.4 -35.8 53 61 A P - 0 0 46 0, 0.0 2,-0.5 0, 0.0 -2,-0.1 -0.266 13.1-117.7 -63.8 155.1 32.7 -26.0 -32.9 54 62 A I - 0 0 53 -5,-0.1 2,-0.2 327,-0.1 327,-0.2 -0.867 50.0-173.2 -89.2 128.3 30.4 -23.4 -31.7 55 63 A V B -a 381 0A 8 325,-2.3 327,-2.9 -2,-0.5 2,-0.3 -0.648 29.6-139.6-125.7 170.7 31.5 -22.8 -28.1 56 64 A S > - 0 0 25 -2,-0.2 4,-1.4 325,-0.2 3,-0.4 -0.774 45.6 -94.9-118.6 170.3 30.9 -21.2 -24.7 57 65 A Y H > S+ 0 0 18 -2,-0.3 4,-2.3 325,-0.2 3,-0.1 0.875 123.8 54.7 -51.1 -42.8 33.5 -19.6 -22.4 58 66 A E H 4 S+ 0 0 129 1,-0.2 -1,-0.2 2,-0.2 -3,-0.0 0.902 103.4 57.0 -61.2 -39.0 33.8 -22.9 -20.3 59 67 A D H 4 S+ 0 0 90 -3,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.884 119.6 27.6 -61.1 -43.9 34.6 -24.9 -23.5 60 68 A I H >X S+ 0 0 8 -4,-1.4 3,-1.9 1,-0.2 4,-1.8 0.603 91.6 98.0 -97.2 -14.3 37.6 -22.7 -24.4 61 69 A K H 3X S+ 0 0 63 -4,-2.3 4,-2.9 1,-0.3 5,-0.2 0.795 76.2 64.3 -47.0 -32.8 38.6 -21.5 -21.0 62 70 A P H 3> S+ 0 0 76 0, 0.0 4,-1.0 0, 0.0 -1,-0.3 0.907 108.1 42.1 -62.4 -34.7 41.3 -24.3 -20.8 63 71 A Y H X> S+ 0 0 25 -3,-1.9 4,-1.2 2,-0.2 3,-0.7 0.961 113.9 50.8 -67.9 -50.0 43.0 -22.6 -23.8 64 72 A L H 3X S+ 0 0 2 -4,-1.8 4,-2.2 1,-0.3 3,-0.2 0.833 107.2 54.3 -61.4 -34.7 42.5 -19.0 -22.4 65 73 A D H 3X S+ 0 0 47 -4,-2.9 4,-1.7 -5,-0.2 -1,-0.3 0.851 101.6 58.1 -67.7 -32.7 43.9 -20.0 -19.0 66 74 A R H <<>S+ 0 0 63 -4,-1.0 5,-3.0 -3,-0.7 4,-0.4 0.842 111.1 43.1 -65.0 -30.4 47.1 -21.3 -20.7 67 75 A V H ><5S+ 0 0 3 -4,-1.2 3,-0.8 -3,-0.2 -2,-0.2 0.880 109.9 56.2 -83.5 -38.8 47.6 -17.9 -22.2 68 76 A V H 3<5S+ 0 0 13 -4,-2.2 72,-2.1 1,-0.2 73,-0.3 0.818 109.9 46.5 -53.0 -34.4 46.7 -16.2 -18.9 69 77 A N T 3<5S- 0 0 103 -4,-1.7 -1,-0.2 70,-0.2 -2,-0.2 0.501 132.6 -82.1 -99.9 -5.4 49.4 -18.1 -17.1 70 78 A G T < 5S+ 0 0 49 -3,-0.8 -3,-0.2 -4,-0.4 -2,-0.1 0.474 78.6 134.1 126.4 4.8 52.1 -17.5 -19.8 71 79 A E < - 0 0 95 -5,-3.0 -1,-0.2 -6,-0.2 2,-0.0 -0.248 68.1 -73.9 -70.2 167.5 52.0 -19.8 -22.8 72 80 A S > - 0 0 74 1,-0.1 3,-2.1 2,-0.0 4,-0.3 -0.336 30.3-128.0 -66.8 144.5 52.3 -18.3 -26.3 73 81 A S G >> S+ 0 0 21 1,-0.3 4,-4.5 2,-0.2 3,-3.0 0.825 103.9 80.3 -57.5 -28.4 49.3 -16.4 -27.8 74 82 A D G 34 S+ 0 0 79 1,-0.3 -41,-1.4 2,-0.3 -40,-0.3 0.652 70.6 75.9 -59.8 -16.6 49.9 -18.8 -30.7 75 83 A V G <4 S- 0 0 4 -3,-2.1 -41,-2.2 -43,-0.3 -1,-0.3 0.869 128.5 -2.6 -60.3 -29.7 48.0 -21.5 -28.8 76 84 A I T <4 S+ 0 0 1 -3,-3.0 2,-0.3 1,-0.3 -2,-0.3 0.644 135.6 37.7-129.9 -33.3 44.9 -19.4 -29.8 77 85 A S < - 0 0 1 -4,-4.5 -1,-0.3 299,-0.1 4,-0.2 -0.993 42.2-163.6-133.0 137.0 46.1 -16.3 -31.7 78 86 A A S S+ 0 0 44 -2,-0.3 2,-0.5 -4,-0.1 -4,-0.1 0.562 87.6 76.0 -85.2 -14.6 48.9 -15.4 -34.2 79 87 A R S S- 0 0 64 -6,-0.1 2,-0.0 296,-0.1 -2,-0.0 -0.912 105.5-102.9 -93.3 126.3 48.3 -11.8 -33.3 80 88 A T - 0 0 96 -2,-0.5 2,-1.0 1,-0.1 -2,-0.1 -0.265 22.4-131.5 -59.8 127.6 49.9 -11.2 -30.0 81 89 A I + 0 0 3 -4,-0.2 15,-0.2 1,-0.1 -1,-0.1 -0.701 28.7 179.2 -74.6 103.1 47.6 -11.1 -27.1 82 90 A T - 0 0 67 -2,-1.0 2,-0.3 13,-1.0 14,-0.2 0.288 59.6 -19.1 -94.3 11.4 48.8 -8.0 -25.3 83 91 A G E -J 95 0B 1 12,-0.9 12,-1.5 59,-0.2 2,-0.3 -0.964 66.7-105.8 166.8 177.1 46.4 -7.9 -22.4 84 92 A F E -Jk 94 144B 3 59,-2.0 61,-2.1 -2,-0.3 2,-0.4 -0.919 17.0-131.7-133.1 158.2 43.0 -9.3 -21.2 85 93 A L E -Jk 93 145B 1 8,-2.7 8,-2.2 -2,-0.3 2,-0.4 -0.950 17.6-143.0-109.9 132.3 39.5 -7.9 -20.7 86 94 A L E Jk 92 146B 14 59,-2.7 61,-0.5 -2,-0.4 6,-0.2 -0.796 360.0 360.0 -92.5 136.6 37.5 -8.5 -17.5 87 95 A S 0 0 70 4,-1.5 328,-0.1 -2,-0.4 -1,-0.1 0.078 360.0 360.0 -72.2 360.0 33.8 -9.1 -17.6 88 ! 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 89 102 A A 0 0 80 0, 0.0 2,-0.4 0, 0.0 396,-0.1 0.000 360.0 360.0 360.0-157.9 34.2 -16.2 -10.9 90 103 A Q - 0 0 47 395,-0.1 2,-0.3 396,-0.0 -4,-0.0 -0.909 360.0-139.2-107.4 136.6 35.3 -13.4 -13.2 91 104 A K - 0 0 65 -2,-0.4 -4,-1.5 1,-0.0 2,-0.5 -0.638 3.6-143.8-105.6 150.1 36.3 -14.3 -16.7 92 105 A M E -J 86 0B 36 -2,-0.3 -6,-0.2 -6,-0.2 -24,-0.1 -0.945 8.7-164.8-123.5 116.7 39.1 -13.1 -18.9 93 106 A M E -J 85 0B 7 -8,-2.2 -8,-2.7 -2,-0.5 284,-0.1 -0.756 31.1-109.3 -94.3 141.9 38.8 -12.6 -22.6 94 107 A P E -J 84 0B 4 0, 0.0 2,-0.3 0, 0.0 -10,-0.2 -0.329 42.6-173.0 -70.9 160.4 42.0 -12.2 -24.7 95 108 A W E +J 83 0B 31 -12,-1.5 -13,-1.0 280,-0.1 -12,-0.9 -0.998 19.6 166.0-159.8 142.1 42.7 -8.8 -26.1 96 109 A N > - 0 0 6 -2,-0.3 3,-1.4 -15,-0.2 4,-0.5 -0.823 57.6 -76.3-145.6-166.8 45.0 -6.8 -28.4 97 110 A N T 3> S+ 0 0 87 1,-0.3 4,-2.6 -2,-0.2 5,-0.2 0.615 114.5 78.9 -79.3 -8.0 44.9 -3.3 -30.0 98 111 A K H 3> S+ 0 0 60 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.791 88.8 58.6 -66.4 -28.1 42.5 -4.5 -32.7 99 112 A Y H <> S+ 0 0 27 -3,-1.4 4,-2.5 2,-0.2 -1,-0.2 0.899 108.7 44.4 -62.2 -39.1 39.8 -4.0 -30.0 100 113 A L H > S+ 0 0 2 -4,-0.5 4,-2.7 2,-0.2 5,-0.3 0.852 109.0 55.6 -80.5 -31.8 40.8 -0.4 -29.7 101 114 A D H X S+ 0 0 66 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.935 115.1 41.0 -56.7 -44.7 41.0 0.1 -33.5 102 115 A N H X S+ 0 0 24 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.891 113.4 51.9 -74.1 -40.0 37.4 -1.1 -33.5 103 116 A L H X S+ 0 0 14 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.937 111.0 47.0 -65.1 -46.9 36.3 0.8 -30.5 104 117 A T H X S+ 0 0 34 -4,-2.7 4,-3.2 2,-0.2 -1,-0.2 0.845 107.1 57.9 -66.1 -33.9 37.6 4.1 -31.8 105 118 A F H X S+ 0 0 57 -4,-1.8 4,-1.5 -5,-0.3 -1,-0.2 0.943 110.9 43.4 -54.2 -50.1 36.0 3.4 -35.2 106 119 A I H X S+ 0 0 0 -4,-2.1 4,-3.1 2,-0.2 5,-0.3 0.879 110.7 54.7 -62.1 -42.4 32.7 3.2 -33.4 107 120 A Y H X S+ 0 0 18 -4,-2.5 4,-2.1 1,-0.2 5,-0.2 0.969 112.0 45.8 -57.0 -47.7 33.5 6.2 -31.2 108 121 A D H X S+ 0 0 66 -4,-3.2 4,-1.0 1,-0.2 -1,-0.2 0.827 113.7 48.7 -65.8 -25.8 34.1 8.1 -34.4 109 122 A L H X S+ 0 0 0 -4,-1.5 4,-1.7 1,-0.2 -1,-0.2 0.880 110.7 48.6 -82.3 -35.7 31.0 6.7 -36.0 110 123 A R H X S+ 0 0 39 -4,-3.1 4,-3.0 1,-0.2 -2,-0.2 0.863 106.1 57.2 -75.5 -30.1 28.7 7.5 -33.1 111 124 A M H X S+ 0 0 26 -4,-2.1 4,-2.1 -5,-0.3 5,-0.2 0.881 106.9 50.6 -65.6 -32.5 30.0 11.1 -32.8 112 125 A Q H X S+ 0 0 53 -4,-1.0 4,-1.5 -5,-0.2 -1,-0.2 0.924 110.5 48.1 -71.6 -42.0 29.0 11.6 -36.4 113 126 A V H X S+ 0 0 4 -4,-1.7 4,-1.3 2,-0.2 -2,-0.2 0.932 111.2 52.7 -59.8 -47.1 25.5 10.3 -35.7 114 127 A I H >X S+ 0 0 3 -4,-3.0 4,-2.0 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2,-0.3 -4,-0.1 -1,-0.2 0.818 69.9 101.1 -82.1 -32.2 -29.1 10.8 -75.7 1088 568 B V < - 0 0 27 -3,-0.8 -38,-0.2 -4,-0.3 -4,-0.0 -0.367 52.8-165.4 -69.5 117.6 -26.0 10.5 -77.9 1089 569 B V S S+ 0 0 108 -40,-0.7 2,-0.3 -2,-0.3 -1,-0.2 0.671 76.0 41.6 -71.3 -17.7 -26.8 9.5 -81.5 1090 570 B A E -M 1049 0J 36 -41,-0.7 -41,-0.9 2,-0.0 2,-0.4 -0.927 63.1-157.0-133.0 155.5 -23.1 8.6 -82.0 1091 571 B K E +M 1048 0J 74 -2,-0.3 2,-0.3 -43,-0.2 -43,-0.2 -0.987 17.0 179.9-130.4 140.1 -20.3 6.8 -80.2 1092 572 B F E +M 1047 0J 27 -45,-0.7 -45,-1.0 -2,-0.4 2,-0.2 -0.985 10.6 179.3-139.3 145.3 -16.6 7.4 -80.9 1093 573 B F 0 0 92 -2,-0.3 -48,-0.2 -47,-0.2 -72,-0.1 -0.550 360.0 360.0-121.0-164.0 -13.2 6.1 -79.6 1094 574 B S 0 0 56 -2,-0.2 -76,-0.1 -73,-0.1 -49,-0.1 0.322 360.0 360.0 -82.8 360.0 -9.7 7.0 -80.8