==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 04-NOV-06 2NSF . COMPND 2 MOLECULE: HYPOTHETICAL PROTEIN CGL3021; . SOURCE 2 ORGANISM_SCIENTIFIC: CORYNEBACTERIUM GLUTAMICUM; . AUTHOR W.R.CHANG,R.WANG . 240 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11985.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 174 72.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 2.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 15 6.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 1 0.4 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 . 8 3.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 106 44.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 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 0 0 0 0 1 0 0 1 0 0 0 0 1 1 0 0 1 1 0 0 1 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 1 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 . 1 0 2 1 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 . 1 0 1 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 M 0 0 144 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 109.5 34.3 4.2 17.2 2 2 A T - 0 0 67 1,-0.1 2,-0.2 2,-0.1 166,-0.1 -0.100 360.0-125.3 -77.0 157.3 35.7 1.2 15.7 3 3 A T >> - 0 0 43 164,-0.1 3,-1.1 1,-0.1 4,-0.6 -0.618 31.5-103.8 -99.6 165.8 34.3 -1.2 13.2 4 4 A F G >4 S+ 0 0 1 160,-0.6 3,-1.2 1,-0.3 161,-0.1 0.877 119.5 60.4 -53.8 -40.9 33.9 -4.9 13.4 5 5 A H G 34 S+ 0 0 70 1,-0.3 -1,-0.3 7,-0.0 7,-0.1 0.773 98.7 54.8 -62.0 -29.8 36.9 -5.3 11.1 6 6 A D G <4 S+ 0 0 108 -3,-1.1 -1,-0.3 2,-0.1 -2,-0.2 0.601 88.4 103.3 -80.4 -12.8 39.3 -3.4 13.5 7 7 A L S << S- 0 0 26 -3,-1.2 5,-0.0 -4,-0.6 -3,-0.0 -0.336 85.1 -97.4 -71.1 151.2 38.5 -5.8 16.3 8 8 A P >> - 0 0 72 0, 0.0 4,-1.8 0, 0.0 3,-0.8 -0.367 37.5-110.0 -65.3 150.1 40.9 -8.6 17.2 9 9 A L H 3> S+ 0 0 47 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.874 117.1 55.5 -48.2 -46.0 40.0 -12.0 15.7 10 10 A E H 3> S+ 0 0 133 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.869 107.6 48.5 -58.3 -39.1 39.0 -13.5 19.0 11 11 A E H <> S+ 0 0 104 -3,-0.8 4,-2.0 2,-0.2 -1,-0.2 0.828 110.5 51.4 -71.4 -31.4 36.5 -10.7 19.7 12 12 A R H X S+ 0 0 35 -4,-1.8 4,-1.8 2,-0.2 -2,-0.2 0.881 109.6 50.0 -71.8 -36.6 35.0 -11.1 16.2 13 13 A L H X S+ 0 0 13 -4,-2.4 4,-2.5 -5,-0.2 -2,-0.2 0.904 109.5 51.8 -66.6 -40.7 34.6 -14.9 16.8 14 14 A T H X S+ 0 0 69 -4,-2.0 4,-3.1 1,-0.2 -2,-0.2 0.918 108.7 50.4 -61.8 -43.2 32.9 -14.1 20.1 15 15 A L H X S+ 0 0 21 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.873 111.0 48.7 -63.5 -37.3 30.5 -11.8 18.3 16 16 A A H X S+ 0 0 0 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.904 113.9 46.4 -68.8 -41.0 29.7 -14.4 15.7 17 17 A R H X S+ 0 0 82 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.904 112.5 50.2 -66.9 -42.1 29.1 -17.0 18.4 18 18 A L H X S+ 0 0 91 -4,-3.1 4,-2.1 1,-0.2 -2,-0.2 0.909 111.1 49.1 -62.4 -42.7 27.0 -14.6 20.5 19 19 A G H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.868 110.0 51.6 -64.7 -36.6 24.9 -13.8 17.4 20 20 A T H X S+ 0 0 13 -4,-1.9 4,-2.9 2,-0.2 -2,-0.2 0.919 110.4 47.4 -67.5 -42.5 24.4 -17.5 16.6 21 21 A S H X S+ 0 0 62 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.877 112.1 51.5 -65.3 -36.1 23.2 -18.2 20.2 22 22 A H H X S+ 0 0 13 -4,-2.1 4,-1.4 2,-0.2 -2,-0.2 0.927 111.8 46.0 -64.4 -47.0 20.9 -15.2 19.9 23 23 A Y H X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.2 3,-0.3 0.933 111.1 53.0 -61.4 -46.2 19.5 -16.5 16.7 24 24 A S H X S+ 0 0 41 -4,-2.9 4,-2.3 1,-0.2 -1,-0.2 0.842 104.0 56.0 -61.0 -34.6 19.2 -20.0 18.1 25 25 A R H X S+ 0 0 143 -4,-1.9 4,-1.2 1,-0.2 -1,-0.2 0.892 108.7 48.1 -64.5 -37.2 17.2 -18.7 21.1 26 26 A Q H X S+ 0 0 10 -4,-1.4 4,-1.2 -3,-0.3 -2,-0.2 0.885 110.1 50.8 -69.6 -38.7 14.7 -17.2 18.6 27 27 A L H < S+ 0 0 6 -4,-2.1 3,-0.3 1,-0.2 -2,-0.2 0.890 106.9 55.4 -65.1 -38.4 14.4 -20.4 16.6 28 28 A S H < S+ 0 0 89 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.836 104.6 54.1 -63.2 -32.3 13.8 -22.3 19.9 29 29 A L H < S+ 0 0 99 -4,-1.2 -1,-0.2 -5,-0.1 2,-0.2 0.815 91.6 86.0 -72.5 -30.5 10.9 -19.9 20.6 30 30 A V S < S- 0 0 4 -4,-1.2 2,-0.2 -3,-0.3 124,-0.1 -0.532 80.4-130.6 -72.9 135.6 9.2 -20.6 17.2 31 31 A D > - 0 0 94 -2,-0.2 3,-2.2 1,-0.1 4,-0.5 -0.580 17.0-117.2 -86.2 151.5 7.0 -23.7 17.3 32 32 A N G > S+ 0 0 59 1,-0.3 3,-1.4 -2,-0.2 4,-0.4 0.864 116.8 58.4 -53.7 -37.9 7.3 -26.4 14.7 33 33 A A G 3 S+ 0 0 93 1,-0.3 -1,-0.3 2,-0.1 3,-0.2 0.652 101.8 56.8 -68.1 -13.8 3.8 -25.7 13.6 34 34 A E G X S+ 0 0 57 -3,-2.2 3,-1.3 1,-0.2 12,-0.4 0.505 79.7 87.9 -95.6 -6.2 4.8 -22.1 12.9 35 35 A F T < S+ 0 0 3 -3,-1.4 12,-2.1 -4,-0.5 11,-0.6 0.864 86.3 54.7 -60.0 -36.5 7.7 -23.0 10.4 36 36 A G T 3 S+ 0 0 59 -4,-0.4 -1,-0.3 -3,-0.2 -2,-0.1 0.562 91.3 94.3 -75.9 -8.2 5.2 -22.9 7.5 37 37 A E S < S- 0 0 99 -3,-1.3 9,-2.4 1,-0.1 10,-0.3 -0.393 91.8 -80.3 -81.3 162.6 4.0 -19.4 8.3 38 38 A H B -A 45 0A 155 7,-0.3 7,-0.3 8,-0.1 -1,-0.1 -0.281 40.8-143.2 -61.2 143.5 5.4 -16.3 6.6 39 39 A S - 0 0 12 5,-2.8 113,-0.2 2,-0.5 4,-0.1 -0.314 38.7 -93.2 -91.4-174.5 8.7 -15.0 8.1 40 40 A L S S+ 0 0 116 111,-2.2 2,-0.6 -2,-0.1 112,-0.1 0.545 108.6 87.9 -79.8 -3.1 9.2 -11.3 8.2 41 41 A L S > S- 0 0 37 110,-0.3 3,-2.1 3,-0.3 -2,-0.5 -0.859 90.2-115.2 -99.4 118.7 10.9 -11.6 4.8 42 42 A E T 3 S+ 0 0 201 -2,-0.6 -2,-0.1 1,-0.3 3,-0.1 -0.208 97.8 15.4 -53.5 130.9 8.5 -11.3 1.9 43 43 A G T 3 S+ 0 0 66 1,-0.2 2,-0.5 -4,-0.1 -1,-0.3 0.352 107.7 98.3 87.0 -6.5 8.2 -14.5 -0.1 44 44 A W < - 0 0 59 -3,-2.1 -5,-2.8 -5,-0.1 -3,-0.3 -0.960 58.0-154.2-121.5 126.1 9.9 -16.6 2.6 45 45 A T B > -A 38 0A 32 -2,-0.5 4,-1.8 -7,-0.3 3,-0.3 -0.357 44.3 -97.6 -80.6 172.9 8.2 -18.8 5.1 46 46 A R H > S+ 0 0 25 -9,-2.4 4,-3.2 -11,-0.6 5,-0.3 0.898 126.5 60.1 -60.4 -36.4 10.2 -19.4 8.3 47 47 A S H > S+ 0 0 9 -12,-2.1 4,-2.3 -10,-0.3 -1,-0.2 0.886 103.1 50.4 -57.3 -41.7 11.3 -22.7 6.8 48 48 A H H > S+ 0 0 42 -3,-0.3 4,-2.6 -13,-0.3 -1,-0.2 0.932 113.7 45.3 -62.2 -46.1 12.9 -20.9 3.9 49 49 A L H X S+ 0 0 0 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.922 112.8 49.3 -63.6 -46.2 14.7 -18.6 6.3 50 50 A I H X S+ 0 0 0 -4,-3.2 4,-1.5 2,-0.2 -1,-0.2 0.900 112.6 48.3 -61.4 -41.0 15.8 -21.3 8.6 51 51 A A H X S+ 0 0 0 -4,-2.3 4,-2.7 -5,-0.3 5,-0.2 0.940 109.5 53.7 -64.3 -46.9 17.2 -23.4 5.7 52 52 A H H X S+ 0 0 13 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.894 104.4 53.5 -54.4 -46.0 19.0 -20.3 4.3 53 53 A V H X S+ 0 0 0 -4,-2.3 4,-1.7 1,-0.2 -1,-0.2 0.901 111.8 46.5 -59.4 -38.5 20.8 -19.7 7.6 54 54 A A H X S+ 0 0 1 -4,-1.5 4,-2.1 1,-0.2 -2,-0.2 0.929 111.5 49.5 -69.7 -45.1 22.1 -23.3 7.6 55 55 A Y H X S+ 0 0 20 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.808 108.3 55.3 -65.1 -27.0 23.1 -23.2 3.9 56 56 A N H X S+ 0 0 6 -4,-2.2 4,-2.3 -5,-0.2 -1,-0.2 0.916 105.4 51.4 -70.5 -41.1 25.0 -19.9 4.6 57 57 A A H X S+ 0 0 0 -4,-1.7 4,-1.5 1,-0.2 -2,-0.2 0.928 111.6 48.1 -59.5 -43.7 26.9 -21.6 7.4 58 58 A I H X S+ 0 0 69 -4,-2.1 4,-1.6 1,-0.2 -1,-0.2 0.903 109.4 52.8 -62.8 -41.5 27.8 -24.4 4.9 59 59 A A H X S+ 0 0 0 -4,-2.2 4,-1.3 1,-0.2 -1,-0.2 0.874 108.6 50.0 -63.2 -36.9 28.8 -21.8 2.3 60 60 A L H X S+ 0 0 0 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.804 103.7 59.8 -72.3 -28.6 31.2 -20.1 4.8 61 61 A C H X S+ 0 0 26 -4,-1.5 4,-2.2 1,-0.2 -1,-0.2 0.897 100.9 56.2 -63.9 -38.7 32.7 -23.5 5.6 62 62 A N H X S+ 0 0 51 -4,-1.6 4,-2.5 1,-0.2 -2,-0.2 0.923 106.1 49.1 -58.9 -45.0 33.7 -23.7 2.0 63 63 A L H X S+ 0 0 0 -4,-1.3 4,-2.4 1,-0.2 -1,-0.2 0.874 110.6 50.6 -63.7 -36.8 35.6 -20.5 2.2 64 64 A M H X S+ 0 0 1 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.853 110.3 49.5 -70.0 -32.6 37.4 -21.6 5.3 65 65 A H H X S+ 0 0 93 -4,-2.2 4,-2.3 2,-0.2 6,-0.4 0.915 110.7 50.2 -69.3 -42.2 38.3 -24.9 3.6 66 66 A W H X S+ 0 0 25 -4,-2.5 4,-2.4 7,-0.3 -2,-0.2 0.929 112.6 48.7 -58.3 -45.5 39.6 -22.8 0.6 67 67 A A H < S+ 0 0 5 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.904 115.4 41.5 -63.0 -45.2 41.6 -20.7 3.1 68 68 A N H < S+ 0 0 64 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.742 126.5 31.9 -77.8 -24.4 43.1 -23.6 5.0 69 69 A T H < S- 0 0 63 -4,-2.3 -2,-0.2 2,-0.2 -3,-0.2 0.628 96.0-129.8-106.0 -18.7 43.9 -25.8 1.9 70 70 A G < + 0 0 44 -4,-2.4 2,-0.7 -5,-0.4 -4,-0.2 0.483 68.4 127.5 80.9 2.4 44.6 -23.1 -0.6 71 71 A E - 0 0 128 -6,-0.4 -1,-0.2 -5,-0.2 -2,-0.2 -0.843 68.6-112.3-100.1 116.1 42.2 -24.9 -2.9 72 72 A E + 0 0 142 -2,-0.7 -9,-0.1 -3,-0.1 52,-0.1 -0.174 43.2 165.9 -49.4 119.8 39.5 -22.7 -4.4 73 73 A T - 0 0 34 -11,-0.1 -7,-0.3 -10,-0.1 -8,-0.1 -0.841 26.2-144.6-140.2 94.6 36.1 -23.7 -3.0 74 74 A P - 0 0 60 0, 0.0 52,-0.1 0, 0.0 3,-0.1 -0.087 23.3-111.0 -59.1 158.5 33.4 -21.1 -3.7 75 75 A M S S+ 0 0 12 50,-0.4 2,-0.3 1,-0.1 -13,-0.2 0.934 101.2 12.9 -55.5 -49.4 30.5 -20.3 -1.3 76 76 A Y - 0 0 33 1,-0.1 -1,-0.1 -14,-0.0 5,-0.0 -0.939 69.7-128.0-130.0 151.6 28.0 -21.8 -3.7 77 77 A V S S- 0 0 137 -2,-0.3 -1,-0.1 1,-0.3 3,-0.1 0.901 90.2 -29.6 -62.8 -39.8 28.2 -24.0 -6.8 78 78 A S > - 0 0 34 1,-0.1 4,-2.2 -3,-0.1 -1,-0.3 -0.971 62.1 -98.6-168.3 165.7 26.0 -21.5 -8.6 79 79 A P H > S+ 0 0 89 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.906 124.8 51.6 -61.0 -40.1 23.2 -18.9 -8.0 80 80 A E H > S+ 0 0 116 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.919 108.3 50.0 -61.4 -46.3 20.7 -21.6 -9.2 81 81 A A H > S+ 0 0 30 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.883 109.2 52.9 -62.0 -38.3 22.1 -24.2 -6.8 82 82 A R H X S+ 0 0 68 -4,-2.2 4,-1.6 2,-0.2 -1,-0.2 0.942 114.2 41.1 -62.2 -48.1 21.9 -21.7 -3.9 83 83 A N H X S+ 0 0 93 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.913 113.7 53.4 -66.5 -43.2 18.2 -21.0 -4.7 84 84 A E H X S+ 0 0 129 -4,-3.1 4,-2.0 1,-0.2 -1,-0.2 0.843 108.2 48.6 -63.1 -36.1 17.4 -24.7 -5.4 85 85 A E H X S+ 0 0 63 -4,-2.2 4,-3.2 2,-0.2 -1,-0.2 0.879 109.8 51.8 -74.3 -33.7 18.8 -25.9 -2.1 86 86 A I H X S+ 0 0 6 -4,-1.6 4,-2.1 -5,-0.2 -2,-0.2 0.912 109.7 51.4 -65.1 -38.8 16.9 -23.3 -0.1 87 87 A A H < S+ 0 0 51 -4,-2.2 4,-0.4 2,-0.2 -2,-0.2 0.920 113.1 44.9 -61.5 -44.3 13.8 -24.5 -2.0 88 88 A Y H >X S+ 0 0 149 -4,-2.0 3,-2.0 1,-0.2 4,-0.6 0.960 111.7 51.0 -64.7 -52.6 14.5 -28.1 -1.0 89 89 A G H >< S+ 0 0 0 -4,-3.2 3,-1.3 1,-0.3 -1,-0.2 0.850 100.6 64.1 -54.6 -36.8 15.3 -27.3 2.6 90 90 A S T 3< S+ 0 0 21 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.681 99.3 54.8 -63.5 -17.0 12.1 -25.3 3.0 91 91 A T T <4 S+ 0 0 101 -3,-2.0 -1,-0.3 -4,-0.4 -2,-0.2 0.651 85.5 106.1 -90.1 -16.7 10.1 -28.5 2.4 92 92 A L S << S- 0 0 44 -3,-1.3 -41,-0.1 -4,-0.6 5,-0.0 -0.182 81.7 -96.0 -63.5 154.6 11.8 -30.5 5.2 93 93 A N >> - 0 0 96 1,-0.1 4,-1.8 4,-0.0 3,-0.7 -0.367 38.8-106.6 -69.3 152.4 10.0 -31.2 8.4 94 94 A P H 3> S+ 0 0 32 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.856 117.6 49.5 -46.7 -49.7 10.7 -28.9 11.4 95 95 A D H 3> S+ 0 0 86 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.844 108.4 54.5 -64.8 -31.1 12.9 -31.2 13.4 96 96 A A H <> S+ 0 0 29 -3,-0.7 4,-2.0 1,-0.2 -1,-0.2 0.890 109.9 47.6 -67.6 -38.3 15.0 -31.9 10.4 97 97 A L H X S+ 0 0 1 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.862 109.2 52.5 -70.7 -36.7 15.6 -28.2 9.9 98 98 A R H X S+ 0 0 52 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.896 111.3 48.2 -65.9 -36.9 16.4 -27.7 13.5 99 99 A N H X S+ 0 0 98 -4,-1.9 4,-2.7 2,-0.2 5,-0.2 0.894 110.4 50.5 -69.6 -38.8 19.0 -30.5 13.2 100 100 A L H X S+ 0 0 42 -4,-2.0 4,-2.7 2,-0.2 5,-0.3 0.916 111.8 48.4 -64.1 -44.2 20.4 -29.0 10.0 101 101 A H H X S+ 0 0 10 -4,-2.5 4,-2.3 2,-0.2 5,-0.2 0.965 113.4 47.1 -59.8 -52.1 20.8 -25.6 11.7 102 102 A E H X S+ 0 0 137 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.913 116.3 43.2 -57.2 -46.3 22.4 -27.1 14.8 103 103 A H H X S+ 0 0 121 -4,-2.7 4,-2.5 2,-0.2 -1,-0.2 0.902 112.6 50.7 -69.9 -41.9 24.9 -29.3 12.8 104 104 A S H X S+ 0 0 5 -4,-2.7 4,-1.8 -5,-0.2 -1,-0.2 0.881 111.5 50.3 -64.0 -36.7 25.8 -26.6 10.3 105 105 A V H X S+ 0 0 36 -4,-2.3 4,-2.1 -5,-0.3 -2,-0.2 0.954 111.4 47.8 -63.6 -49.9 26.5 -24.2 13.2 106 106 A A H X S+ 0 0 48 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.879 111.6 50.2 -59.7 -40.6 28.7 -26.7 14.9 107 107 A R H X S+ 0 0 148 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.855 109.1 50.3 -69.3 -35.5 30.6 -27.5 11.7 108 108 A L H X S+ 0 0 3 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.900 109.5 51.9 -69.2 -39.1 31.4 -23.9 10.9 109 109 A D H X S+ 0 0 40 -4,-2.1 4,-2.8 1,-0.2 -2,-0.2 0.923 109.5 49.0 -63.4 -42.2 32.6 -23.3 14.5 110 110 A V H X S+ 0 0 44 -4,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.926 108.3 54.8 -61.5 -43.7 35.0 -26.3 14.2 111 111 A A H < S+ 0 0 25 -4,-2.1 4,-0.2 1,-0.2 -1,-0.2 0.914 111.8 44.0 -55.7 -44.9 36.2 -24.9 10.9 112 112 A W H >< S+ 0 0 8 -4,-2.3 3,-1.3 1,-0.2 -1,-0.2 0.921 111.3 52.9 -66.8 -44.8 37.0 -21.6 12.6 113 113 A R H 3< S+ 0 0 172 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.830 112.5 44.9 -61.0 -33.2 38.6 -23.2 15.6 114 114 A E T 3< S+ 0 0 146 -4,-2.3 2,-0.3 -5,-0.2 -1,-0.3 0.365 85.4 119.5 -94.3 6.2 41.0 -25.3 13.4 115 115 A T < - 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