==== 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 CELL CYCLE 02-MAR-06 2DFK . COMPND 2 MOLECULE: COLLYBISTIN II; . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; . AUTHOR S.XIANG,E.Y.KIM,J.J.CONNELLY,N.NASSAR,J.KIRSCH,J.WINKING,G.S . 1094 6 2 0 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 53978.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 810 74.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 48 4.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 104 9.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 0.5 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 . 5 0.5 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 . 59 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 132 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 430 39.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 21 1.9 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 2 4 0 5 5 4 1 1 4 0 0 0 0 4 2 0 0 0 0 2 0 2 0 1 1 0 RESIDUES PER ALPHA HELIX . 2 0 2 2 2 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 . 0 2 2 0 6 0 4 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 . 2 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 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 37 A C 0 0 181 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-155.0 35.7 -31.0 11.6 2 38 A L - 0 0 53 0, 0.0 742,-0.0 0, 0.0 776,-0.0 0.545 360.0-138.1-137.3 -20.5 39.6 -30.9 12.2 3 39 A C + 0 0 52 1,-0.1 741,-0.1 3,-0.0 737,-0.0 0.790 47.2 148.0 61.4 37.4 40.5 -28.3 15.0 4 40 A L + 0 0 37 2,-0.0 2,-0.1 883,-0.0 -1,-0.1 0.439 37.7 99.9 -86.9 5.3 43.6 -27.0 13.1 5 41 A G S S- 0 0 52 1,-0.1 3,-0.1 483,-0.0 483,-0.0 -0.378 72.2-111.7 -88.3 166.8 43.4 -23.4 14.4 6 42 A R - 0 0 117 1,-0.1 2,-0.1 -2,-0.1 -1,-0.1 -0.442 53.0 -62.8 -92.0 166.9 45.3 -21.7 17.2 7 43 A P + 0 0 25 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.336 54.5 179.0 -53.2 119.9 43.9 -20.5 20.5 8 44 A L - 0 0 160 725,-0.2 2,-0.1 -2,-0.1 388,-0.1 -0.975 29.9-116.1-120.8 137.7 41.2 -17.7 20.3 9 45 A Q - 0 0 23 -2,-0.4 721,-0.1 387,-0.2 720,-0.0 -0.383 42.5 -97.9 -65.3 147.0 39.4 -16.1 23.2 10 46 A N > - 0 0 64 1,-0.1 4,-2.3 -2,-0.1 5,-0.2 -0.226 34.4-102.4 -70.7 162.8 35.6 -16.7 23.3 11 47 A R H > S+ 0 0 125 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.884 117.9 47.3 -56.9 -49.1 33.1 -14.1 22.0 12 48 A D H > S+ 0 0 67 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.884 113.2 50.0 -58.7 -41.7 31.9 -12.7 25.4 13 49 A Q H > S+ 0 0 20 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.881 108.2 52.9 -62.1 -41.8 35.5 -12.4 26.6 14 50 A M H X S+ 0 0 25 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.905 108.9 50.2 -62.2 -39.4 36.4 -10.6 23.4 15 51 A R H X S+ 0 0 3 -4,-2.2 4,-2.6 155,-0.2 -2,-0.2 0.955 110.4 49.1 -63.1 -45.0 33.5 -8.2 24.0 16 52 A A H X S+ 0 0 6 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.887 110.3 52.8 -58.2 -39.3 34.9 -7.6 27.6 17 53 A N H X S+ 0 0 8 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.937 110.7 46.5 -61.5 -42.5 38.4 -7.0 26.0 18 54 A V H X S+ 0 0 1 -4,-2.5 4,-3.0 2,-0.2 -2,-0.2 0.900 109.5 52.3 -67.2 -44.0 37.0 -4.4 23.7 19 55 A I H X S+ 0 0 1 -4,-2.6 4,-2.2 1,-0.2 5,-0.2 0.951 110.8 48.8 -57.9 -49.7 35.0 -2.6 26.4 20 56 A N H X S+ 0 0 43 -4,-2.3 4,-2.3 -5,-0.2 -1,-0.2 0.879 110.2 51.4 -55.9 -40.2 38.1 -2.4 28.4 21 57 A E H X S+ 0 0 12 -4,-2.0 4,-2.9 2,-0.2 5,-0.3 0.924 109.0 51.7 -62.6 -43.0 40.1 -1.1 25.4 22 58 A I H X S+ 0 0 2 -4,-3.0 4,-1.9 1,-0.2 -2,-0.2 0.943 113.2 42.9 -61.2 -42.8 37.5 1.6 24.9 23 59 A M H X S+ 0 0 8 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.892 116.7 47.9 -67.7 -43.8 37.6 2.8 28.4 24 60 A S H X S+ 0 0 30 -4,-2.3 4,-2.2 -5,-0.2 -1,-0.2 0.864 110.9 48.9 -70.4 -38.3 41.3 2.7 28.6 25 61 A T H X S+ 0 0 24 -4,-2.9 4,-1.7 1,-0.2 -1,-0.2 0.851 110.6 52.7 -72.6 -30.8 41.9 4.5 25.3 26 62 A E H X S+ 0 0 2 -4,-1.9 4,-2.1 -5,-0.3 -2,-0.2 0.874 110.7 46.2 -68.0 -40.3 39.5 7.2 26.4 27 63 A R H X S+ 0 0 100 -4,-1.8 4,-1.5 2,-0.2 -2,-0.2 0.862 114.2 47.7 -66.5 -41.4 41.4 7.7 29.7 28 64 A H H X S+ 0 0 98 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.835 111.5 52.6 -64.0 -36.3 44.8 7.7 27.9 29 65 A Y H X S+ 0 0 9 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.943 109.2 47.1 -66.4 -41.7 43.3 10.2 25.4 30 66 A I H X S+ 0 0 30 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.864 107.6 57.2 -72.7 -30.6 42.1 12.6 28.0 31 67 A K H X S+ 0 0 106 -4,-1.5 4,-2.0 2,-0.2 -1,-0.2 0.887 107.5 48.6 -62.8 -40.1 45.5 12.3 29.7 32 68 A H H X S+ 0 0 30 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.892 111.1 50.3 -63.5 -39.1 47.1 13.5 26.5 33 69 A L H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.900 112.2 47.0 -64.8 -42.1 44.5 16.4 26.3 34 70 A K H X S+ 0 0 103 -4,-2.5 4,-2.7 2,-0.2 5,-0.4 0.835 110.1 52.8 -65.4 -40.0 45.3 17.4 29.8 35 71 A D H X>S+ 0 0 12 -4,-2.0 4,-1.8 2,-0.2 5,-0.6 0.863 110.8 48.0 -65.6 -38.4 49.0 17.2 29.2 36 72 A I H X>S+ 0 0 0 -4,-2.2 5,-2.7 3,-0.2 4,-1.7 0.966 117.8 40.3 -61.0 -48.3 48.6 19.5 26.2 37 73 A C H <>S+ 0 0 5 -4,-2.4 5,-1.6 3,-0.2 -2,-0.2 0.881 127.2 31.2 -74.7 -40.6 46.5 22.0 28.0 38 74 A E H <5S+ 0 0 71 -4,-2.7 -1,-0.2 3,-0.2 -3,-0.2 0.753 127.1 39.5 -84.9 -34.7 48.4 21.9 31.3 39 75 A G H <5S+ 0 0 2 -4,-1.8 -3,-0.2 -5,-0.4 -2,-0.2 0.834 134.1 10.8 -90.2 -35.6 51.9 21.2 30.0 40 76 A Y T X S+ 0 0 68 2,-0.2 4,-1.1 1,-0.2 3,-0.4 0.914 111.3 50.6 -72.4 -35.5 52.9 27.5 30.0 44 80 A C H >< S+ 0 0 0 -4,-2.8 3,-0.6 1,-0.2 7,-0.3 0.914 107.0 53.4 -66.2 -42.9 52.7 29.3 26.7 45 81 A R H 3< S+ 0 0 98 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.714 105.2 56.2 -63.3 -28.2 50.0 31.7 28.0 46 82 A K H 3< S+ 0 0 151 -4,-0.9 2,-1.2 -3,-0.4 -1,-0.2 0.813 98.8 64.5 -70.2 -36.2 52.3 32.6 30.9 47 83 A R XX + 0 0 91 -4,-1.1 4,-1.5 -3,-0.6 3,-1.5 -0.657 56.1 163.1 -93.3 77.4 55.1 33.7 28.5 48 84 A R T 34 S+ 0 0 142 -2,-1.2 -1,-0.2 1,-0.2 5,-0.1 0.636 72.8 63.8 -65.3 -16.1 53.5 36.6 26.8 49 85 A D T 34 S+ 0 0 103 -3,-0.1 -1,-0.2 1,-0.1 3,-0.1 0.475 112.2 33.8 -87.3 -1.7 57.0 37.7 25.6 50 86 A M T <4 S+ 0 0 6 -3,-1.5 2,-0.4 1,-0.3 -2,-0.2 0.574 121.1 39.3-123.9 -25.3 57.3 34.5 23.5 51 87 A F < - 0 0 1 -4,-1.5 -1,-0.3 -7,-0.3 2,-0.1 -0.988 66.7-152.1-132.4 120.7 53.8 33.8 22.2 52 88 A S > - 0 0 55 -2,-0.4 4,-2.1 -3,-0.1 5,-0.2 -0.458 35.3-104.5 -76.1 167.2 51.2 36.3 21.0 53 89 A D H > S+ 0 0 117 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.883 123.2 51.6 -52.2 -44.8 47.5 35.6 21.3 54 90 A E H > S+ 0 0 128 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.891 106.3 53.0 -66.9 -43.3 47.3 35.0 17.7 55 91 A Q H > S+ 0 0 46 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.910 110.8 48.9 -57.2 -41.5 50.2 32.4 17.8 56 92 A L H X>S+ 0 0 11 -4,-2.1 4,-2.6 2,-0.2 5,-0.5 0.910 111.3 47.8 -63.6 -46.9 48.3 30.6 20.6 57 93 A K H X5S+ 0 0 136 -4,-2.3 4,-1.8 3,-0.2 -2,-0.2 0.931 115.2 47.0 -60.3 -43.9 45.1 30.5 18.7 58 94 A V H <5S+ 0 0 39 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.920 119.5 37.7 -65.7 -43.9 46.9 29.2 15.5 59 95 A I H <5S+ 0 0 2 -4,-2.7 -2,-0.2 -5,-0.2 -3,-0.2 0.915 131.2 25.0 -77.0 -41.9 49.0 26.5 17.3 60 96 A F H ><5S+ 0 0 4 -4,-2.6 3,-2.2 -5,-0.3 -3,-0.2 0.687 79.0 175.6-101.5 -16.1 46.4 25.2 19.9 61 97 A G T 3< S+ 0 0 19 1,-0.2 4,-2.1 42,-0.1 3,-0.4 -0.041 93.5 128.1 -99.1 30.4 40.2 24.7 20.2 63 99 A I H <> S+ 0 0 0 -3,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.867 73.1 54.9 -56.2 -33.7 42.2 22.0 22.0 64 100 A E H > S+ 0 0 54 -3,-0.4 4,-2.3 2,-0.2 -1,-0.2 0.891 105.7 50.9 -69.8 -37.4 40.9 23.2 25.3 65 101 A D H > S+ 0 0 83 -3,-0.4 4,-2.4 2,-0.2 -2,-0.2 0.893 109.3 51.3 -65.9 -33.8 37.3 22.9 24.2 66 102 A I H X S+ 0 0 0 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.913 108.5 51.5 -65.3 -43.4 38.0 19.3 23.1 67 103 A Y H X S+ 0 0 36 -4,-2.2 4,-2.0 -5,-0.2 -2,-0.2 0.950 110.6 49.7 -55.9 -45.7 39.6 18.6 26.6 68 104 A R H X S+ 0 0 137 -4,-2.3 4,-1.4 1,-0.2 -2,-0.2 0.925 111.3 47.4 -62.4 -44.9 36.4 19.9 28.1 69 105 A F H X S+ 0 0 29 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.916 110.9 53.0 -58.3 -48.7 34.1 17.8 25.9 70 106 A Q H X S+ 0 0 0 -4,-2.7 4,-2.9 2,-0.2 5,-0.2 0.835 100.1 59.9 -64.5 -32.4 36.2 14.8 26.6 71 107 A M H X S+ 0 0 66 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.953 111.3 42.5 -56.7 -49.4 35.9 15.2 30.4 72 108 A G H X S+ 0 0 13 -4,-1.4 4,-1.8 2,-0.2 -2,-0.2 0.875 113.5 51.7 -61.7 -36.0 32.1 14.9 30.1 73 109 A F H X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.953 111.5 46.8 -74.0 -43.4 32.4 12.0 27.6 74 110 A V H X S+ 0 0 13 -4,-2.9 4,-2.3 2,-0.2 -1,-0.2 0.907 108.5 54.2 -62.2 -43.4 34.7 10.0 29.8 75 111 A R H X S+ 0 0 134 -4,-2.0 4,-1.6 -5,-0.2 -1,-0.2 0.932 111.2 47.4 -56.8 -43.9 32.5 10.6 33.0 76 112 A D H X S+ 0 0 37 -4,-1.8 4,-1.0 2,-0.2 -2,-0.2 0.897 110.5 50.4 -68.7 -41.1 29.5 9.2 31.1 77 113 A L H >X S+ 0 0 1 -4,-2.3 3,-0.8 1,-0.2 4,-0.7 0.932 109.2 51.7 -59.7 -44.2 31.3 6.2 29.7 78 114 A E H >< S+ 0 0 88 -4,-2.3 3,-0.6 1,-0.3 -1,-0.2 0.819 102.9 59.4 -65.1 -31.5 32.6 5.3 33.1 79 115 A K H 3< S+ 0 0 144 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.778 106.4 48.8 -67.8 -27.1 29.0 5.5 34.5 80 116 A Q H << S+ 0 0 78 -4,-1.0 10,-0.6 -3,-0.8 -1,-0.2 0.634 83.1 112.5 -86.1 -13.7 28.0 2.8 32.1 81 117 A Y << - 0 0 43 -4,-0.7 2,-0.9 -3,-0.6 6,-0.1 -0.373 62.3-142.7 -62.9 124.9 30.9 0.4 32.9 82 118 A N - 0 0 44 4,-0.3 3,-0.3 -2,-0.2 6,-0.2 -0.800 14.2-171.0 -93.9 101.3 29.5 -2.7 34.6 83 119 A N S S+ 0 0 103 -2,-0.9 -1,-0.2 1,-0.2 637,-0.1 0.849 85.1 52.9 -56.0 -37.3 32.1 -3.8 37.3 84 120 A D S S+ 0 0 144 1,-0.3 -1,-0.2 2,-0.1 -2,-0.1 0.848 132.5 5.6 -66.6 -38.7 30.3 -7.1 38.0 85 121 A D > - 0 0 65 -3,-0.3 3,-2.9 1,-0.1 4,-0.3 -0.660 66.9-168.5-154.4 78.8 30.3 -8.2 34.3 86 122 A P G > S+ 0 0 14 0, 0.0 3,-2.2 0, 0.0 -4,-0.3 0.806 84.9 63.5 -47.1 -38.7 32.2 -5.9 32.0 87 123 A H G 3 S+ 0 0 29 1,-0.3 -70,-0.0 -6,-0.1 -6,-0.0 0.620 95.0 61.1 -66.4 -9.8 30.8 -7.5 28.8 88 124 A L G < S+ 0 0 82 -3,-2.9 -1,-0.3 -6,-0.2 88,-0.1 0.552 76.3 124.9 -92.3 -7.8 27.4 -6.4 29.8 89 125 A S < - 0 0 2 -3,-2.2 2,-0.7 -4,-0.3 -8,-0.1 -0.233 52.4-148.9 -54.7 137.8 28.4 -2.7 29.7 90 126 A E + 0 0 58 -10,-0.6 4,-0.1 1,-0.1 -1,-0.1 -0.884 32.7 154.0-114.6 96.3 26.1 -0.7 27.4 91 127 A I >> + 0 0 2 -2,-0.7 4,-1.2 1,-0.1 3,-0.7 0.493 47.5 92.5-104.9 -5.3 28.1 2.2 25.8 92 128 A G H >> S+ 0 0 0 1,-0.2 4,-1.8 2,-0.2 3,-0.6 0.933 84.3 53.9 -51.2 -52.0 26.2 2.8 22.7 93 129 A P H 3> S+ 0 0 28 0, 0.0 4,-2.7 0, 0.0 -1,-0.2 0.768 99.3 63.6 -60.8 -22.7 24.0 5.5 24.2 94 130 A C H <> S+ 0 0 1 -3,-0.7 4,-1.2 1,-0.2 -2,-0.2 0.932 106.9 42.8 -68.9 -41.1 27.0 7.5 25.4 95 131 A F H << S+ 0 0 2 -4,-1.2 4,-0.3 -3,-0.6 -1,-0.2 0.907 114.9 50.7 -63.3 -45.0 28.1 8.1 21.9 96 132 A L H >< S+ 0 0 37 -4,-1.8 3,-1.0 1,-0.2 4,-0.2 0.910 109.8 48.6 -61.4 -44.1 24.5 8.8 20.8 97 133 A E H 3< S+ 0 0 126 -4,-2.7 3,-0.2 1,-0.2 -1,-0.2 0.797 116.6 43.3 -75.7 -15.5 23.9 11.4 23.5 98 134 A H T >X S+ 0 0 34 -4,-1.2 4,-1.0 -5,-0.2 3,-0.7 0.295 79.5 114.4-102.8 9.6 27.2 13.2 22.8 99 135 A Q T <4 S+ 0 0 80 -3,-1.0 3,-0.5 -4,-0.3 4,-0.2 0.799 73.8 48.8 -58.3 -37.9 27.0 13.2 19.0 100 136 A D T >4 S+ 0 0 136 1,-0.2 3,-1.5 -3,-0.2 -1,-0.3 0.811 103.4 63.1 -71.7 -33.3 26.6 17.0 18.4 101 137 A G G X4 S+ 0 0 27 -3,-0.7 3,-1.6 1,-0.2 -1,-0.2 0.825 88.3 69.1 -60.1 -29.2 29.5 17.6 20.6 102 138 A F G >< S+ 0 0 0 -4,-1.0 3,-1.9 -3,-0.5 -1,-0.2 0.689 78.7 82.8 -63.6 -15.0 31.9 15.7 18.3 103 139 A W G X> S+ 0 0 83 -3,-1.5 3,-1.8 1,-0.3 4,-0.7 0.704 70.9 76.5 -65.7 -18.6 31.4 18.5 15.7 104 140 A I H <> S+ 0 0 34 -3,-1.6 4,-1.3 1,-0.3 -1,-0.3 0.764 82.3 69.1 -60.2 -22.7 34.1 20.6 17.6 105 141 A Y H <> S+ 0 0 0 -3,-1.9 4,-2.2 2,-0.2 -1,-0.3 0.679 87.0 68.0 -68.2 -13.6 36.6 18.2 15.8 106 142 A S H <> S+ 0 0 4 -3,-1.8 4,-2.7 2,-0.2 5,-0.2 0.978 101.4 43.7 -71.0 -52.9 35.7 19.9 12.5 107 143 A E H X S+ 0 0 88 -4,-0.7 4,-1.6 2,-0.2 -1,-0.2 0.885 112.3 54.7 -53.6 -45.9 37.3 23.2 13.4 108 144 A Y H X S+ 0 0 11 -4,-1.3 4,-0.5 1,-0.2 -2,-0.2 0.955 112.6 41.5 -56.0 -49.1 40.3 21.3 14.9 109 145 A C H >< S+ 0 0 0 -4,-2.2 3,-0.8 1,-0.2 4,-0.4 0.874 110.8 56.6 -68.3 -39.0 41.0 19.4 11.6 110 146 A N H 3< S+ 0 0 41 -4,-2.7 3,-0.2 1,-0.2 -1,-0.2 0.844 116.1 36.5 -63.2 -31.4 40.3 22.4 9.3 111 147 A N H 3X S+ 0 0 73 -4,-1.6 4,-1.3 -5,-0.2 3,-0.3 0.449 89.0 98.2-104.2 8.5 43.0 24.5 11.1 112 148 A H H S+ 0 0 26 -4,-0.4 4,-2.3 1,-0.2 -1,-0.2 0.856 105.9 54.5 -75.2 -33.4 47.9 22.4 8.9 114 150 A D H > S+ 0 0 82 -3,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.835 108.3 52.7 -54.9 -38.0 48.2 26.2 9.9 115 151 A A H X S+ 0 0 5 -4,-1.3 4,-2.6 2,-0.2 -2,-0.2 0.942 109.6 46.2 -62.4 -53.8 49.2 24.8 13.3 116 152 A C H X S+ 0 0 12 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.863 111.3 53.6 -52.7 -39.7 51.9 22.6 11.8 117 153 A 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