==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JUL-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 11-NOV-09 2WY2 . COMPND 2 MOLECULE: N\,N'-DIACETYLCHITOBIOSE-SPECIFIC . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR Y.S.SANG,M.CAI,G.M.CLORE . 412 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21808.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 349 84.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 17 4.1 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 . 3 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 3 0.7 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 . 10 2.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 272 66.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 2.2 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 2 0 1 0 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 3 3 3 0 RESIDUES PER ALPHA HELIX . 0 0 1 1 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 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 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 A >> 0 0 42 0, 0.0 4,-4.6 0, 0.0 5,-0.6 0.000 360.0 360.0 360.0 170.1 -13.3 -17.5 -2.9 2 2 A E H >5 + 0 0 160 2,-0.2 4,-2.2 3,-0.2 5,-0.2 0.799 360.0 11.0 -24.6 -86.1 -16.3 -17.4 -0.6 3 3 A E H >5S+ 0 0 139 2,-0.2 4,-5.1 1,-0.2 5,-0.4 0.985 129.5 54.4 -66.3 -60.2 -14.6 -16.5 2.7 4 4 A L H >5S+ 0 0 59 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.857 114.4 44.1 -41.8 -43.0 -11.2 -15.6 1.4 5 5 A E H X5S+ 0 0 30 -4,-4.6 4,-2.1 2,-0.2 -1,-0.2 0.934 118.2 42.0 -70.7 -45.8 -12.8 -13.2 -1.0 6 6 A E H XS+ 0 0 55 -4,-2.3 5,-2.6 1,-0.2 3,-0.3 0.911 106.3 53.3 -59.0 -41.9 -5.9 16.0 15.6 29 29 A A H ><5S+ 0 0 2 -4,-1.7 3,-2.0 1,-0.2 -1,-0.2 0.912 104.1 54.8 -60.0 -43.2 -2.2 16.8 15.9 30 30 A K H 3<5S+ 0 0 59 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.837 104.3 54.7 -60.2 -31.8 -2.6 19.8 13.6 31 31 A Q T 3<5S- 0 0 124 -4,-1.5 -1,-0.3 -3,-0.3 -2,-0.2 0.498 123.1-110.5 -79.8 -2.1 -5.3 21.1 15.9 32 32 A G T < 5S+ 0 0 30 -3,-2.0 2,-1.1 -4,-0.2 -3,-0.2 0.642 76.8 136.5 82.2 16.2 -2.7 20.8 18.7 33 33 A D >< + 0 0 74 -5,-2.6 4,-2.1 1,-0.2 -1,-0.2 -0.686 17.7 164.1 -97.9 81.5 -4.6 17.9 20.3 34 34 A F H > S+ 0 0 56 -2,-1.1 4,-2.8 1,-0.2 -1,-0.2 0.848 73.4 57.2 -65.3 -35.2 -1.8 15.5 21.2 35 35 A A H > S+ 0 0 83 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.951 110.5 41.2 -62.3 -50.7 -4.0 13.5 23.5 36 36 A A H > S+ 0 0 35 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.892 114.0 54.2 -65.8 -37.9 -6.6 12.7 20.8 37 37 A A H X S+ 0 0 0 -4,-2.1 4,-2.5 1,-0.2 5,-0.2 0.964 108.8 48.1 -59.3 -51.9 -3.9 12.1 18.3 38 38 A K H X S+ 0 0 146 -4,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.906 112.2 49.2 -54.6 -46.6 -2.2 9.5 20.6 39 39 A A H X S+ 0 0 50 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.897 110.9 50.1 -62.0 -41.3 -5.5 7.8 21.3 40 40 A M H X S+ 0 0 46 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.900 109.4 50.7 -65.9 -40.8 -6.3 7.6 17.5 41 41 A M H X S+ 0 0 28 -4,-2.5 4,-2.9 2,-0.2 -1,-0.2 0.904 108.4 53.2 -62.9 -41.6 -2.9 6.1 16.7 42 42 A D H X S+ 0 0 92 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.940 111.8 44.1 -59.9 -47.9 -3.3 3.4 19.3 43 43 A Q H X S+ 0 0 113 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.907 112.5 52.7 -63.9 -41.3 -6.6 2.3 18.0 44 44 A S H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.934 109.5 49.5 -59.8 -45.2 -5.3 2.5 14.4 45 45 A R H X S+ 0 0 167 -4,-2.9 4,-2.7 1,-0.2 -1,-0.2 0.913 110.5 50.0 -58.7 -45.8 -2.4 0.2 15.5 46 46 A M H X S+ 0 0 122 -4,-2.3 4,-2.4 1,-0.2 5,-0.2 0.905 108.6 52.7 -61.6 -41.7 -4.7 -2.2 17.1 47 47 A A H X S+ 0 0 21 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.920 112.5 44.7 -60.2 -43.9 -6.9 -2.4 14.0 48 48 A L H X S+ 0 0 15 -4,-2.2 4,-4.1 2,-0.2 5,-0.2 0.889 109.1 56.4 -66.5 -41.8 -3.8 -3.2 11.9 49 49 A N H X S+ 0 0 91 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.929 110.2 44.4 -57.9 -45.5 -2.6 -5.7 14.4 50 50 A E H X S+ 0 0 127 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.913 115.8 48.2 -65.0 -41.6 -5.9 -7.6 14.1 51 51 A A H X S+ 0 0 1 -4,-2.1 4,-2.4 -5,-0.2 -2,-0.2 0.934 112.0 48.9 -64.3 -45.4 -5.8 -7.3 10.3 52 52 A H H X S+ 0 0 92 -4,-4.1 4,-3.0 1,-0.2 -2,-0.2 0.891 108.4 54.6 -61.0 -40.4 -2.2 -8.4 10.2 53 53 A L H X S+ 0 0 104 -4,-2.5 4,-1.8 -5,-0.2 -1,-0.2 0.918 108.7 47.9 -60.4 -44.0 -3.0 -11.4 12.4 54 54 A V H X S+ 0 0 57 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.927 112.2 49.3 -63.5 -43.6 -5.7 -12.5 10.0 55 55 A Q H X S+ 0 0 12 -4,-2.4 4,-1.6 2,-0.2 5,-0.2 0.919 103.8 60.4 -62.3 -41.9 -3.4 -12.1 7.1 56 56 A T H >X S+ 0 0 58 -4,-3.0 4,-2.6 1,-0.3 3,-0.7 0.929 107.5 45.2 -50.6 -47.3 -0.7 -14.1 8.9 57 57 A K H 3X S+ 0 0 157 -4,-1.8 4,-2.1 1,-0.3 -1,-0.3 0.894 109.6 55.7 -62.7 -40.0 -3.2 -17.0 8.9 58 58 A L H 3< S+ 0 0 41 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.718 113.0 42.1 -67.3 -19.5 -4.0 -16.4 5.3 59 59 A I H X< S+ 0 0 63 -4,-1.6 3,-1.1 -3,-0.7 -2,-0.2 0.795 110.6 54.3 -94.5 -34.2 -0.3 -16.7 4.5 60 60 A E H 3< S+ 0 0 160 -4,-2.6 3,-0.2 1,-0.3 -2,-0.2 0.893 121.0 31.4 -65.7 -40.1 0.5 -19.7 6.7 61 61 A G T 3< S+ 0 0 54 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.1 -0.088 78.2 127.7-108.6 33.0 -2.3 -21.8 5.1 62 62 A D < + 0 0 53 -3,-1.1 9,-0.6 2,-0.1 3,-0.3 0.567 54.9 91.9 -65.7 -6.8 -2.0 -20.2 1.6 63 63 A A + 0 0 68 -3,-0.2 4,-0.1 1,-0.2 7,-0.1 -0.284 43.4 82.1 -82.6 172.7 -1.8 -23.7 0.3 64 64 A G S S+ 0 0 76 2,-0.7 -1,-0.2 5,-0.2 3,-0.1 -0.414 81.5 63.4 131.1 -58.8 -4.7 -25.9 -0.9 65 65 A E S S- 0 0 129 -3,-0.3 2,-0.3 1,-0.2 5,-0.1 0.887 120.6 -21.2 -65.9 -39.3 -5.5 -24.8 -4.5 66 66 A G - 0 0 31 3,-0.5 -2,-0.7 1,-0.2 -1,-0.2 -0.965 62.9-103.4-160.9 172.8 -2.1 -25.9 -5.7 67 67 A K S S+ 0 0 200 -2,-0.3 -1,-0.2 -4,-0.1 -2,-0.1 0.990 112.3 12.2 -67.4 -81.7 1.5 -26.7 -4.7 68 68 A M S S+ 0 0 131 -5,-0.1 -1,-0.1 2,-0.0 2,-0.1 0.854 116.3 81.6 -66.9 -39.4 3.6 -23.7 -5.8 69 69 A K - 0 0 116 -5,-0.0 -3,-0.5 -4,-0.0 2,-0.2 -0.353 60.7-169.2 -72.7 152.1 0.7 -21.4 -6.5 70 70 A V - 0 0 44 -5,-0.1 -7,-0.1 -7,-0.1 -8,-0.1 -0.811 40.1 -61.6-132.4 172.2 -1.2 -19.5 -3.8 71 71 A S > - 0 0 18 -9,-0.6 3,-0.7 -2,-0.2 4,-0.3 -0.350 41.1-146.6 -59.1 129.6 -4.4 -17.4 -3.4 72 72 A L T >> S+ 0 0 56 1,-0.2 3,-1.7 2,-0.2 4,-0.5 0.877 95.3 61.9 -65.8 -40.6 -4.1 -14.4 -5.7 73 73 A V H 3> S+ 0 0 41 1,-0.3 4,-2.2 2,-0.2 5,-0.3 0.685 79.5 85.6 -60.1 -20.5 -6.1 -12.2 -3.3 74 74 A L H <> S+ 0 0 15 -3,-0.7 4,-2.5 1,-0.3 -1,-0.3 0.884 91.4 50.0 -49.7 -37.0 -3.4 -12.7 -0.8 75 75 A V H <> S+ 0 0 29 -3,-1.7 4,-3.9 -4,-0.3 5,-0.4 0.900 102.8 57.2 -69.3 -42.9 -1.7 -9.8 -2.6 76 76 A H H X S+ 0 0 12 -4,-0.5 4,-1.4 1,-0.2 -2,-0.2 0.891 116.3 39.2 -55.7 -38.6 -4.9 -7.5 -2.5 77 77 A A H X S+ 0 0 1 -4,-2.2 4,-3.0 2,-0.2 5,-0.2 0.896 117.4 47.6 -77.2 -42.9 -4.8 -7.8 1.2 78 78 A Q H X S+ 0 0 9 -4,-2.5 4,-3.7 -5,-0.3 5,-0.3 0.943 112.5 49.7 -63.7 -47.7 -1.0 -7.7 1.5 79 79 A L H X S+ 0 0 2 -4,-3.9 4,-2.2 2,-0.2 5,-0.2 0.929 116.6 41.0 -56.3 -49.9 -0.8 -4.6 -0.7 80 80 A H H X S+ 0 0 18 -4,-1.4 4,-2.7 -5,-0.4 -1,-0.2 0.928 118.7 45.9 -66.5 -45.5 -3.5 -2.8 1.3 81 81 A L H X S+ 0 0 12 -4,-3.0 4,-2.9 2,-0.2 5,-0.3 0.918 113.7 48.3 -64.2 -44.9 -2.2 -3.9 4.6 82 82 A M H X S+ 0 0 26 -4,-3.7 4,-2.4 -5,-0.2 5,-0.2 0.924 114.5 46.3 -61.9 -44.7 1.5 -3.1 3.8 83 83 A T H X S+ 0 0 6 -4,-2.2 4,-2.8 -5,-0.3 -2,-0.2 0.937 115.0 46.2 -63.2 -48.0 0.5 0.3 2.5 84 84 A S H X S+ 0 0 5 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.929 113.5 48.3 -62.0 -47.3 -1.7 1.1 5.5 85 85 A M H X S+ 0 0 57 -4,-2.9 4,-2.2 1,-0.2 -1,-0.2 0.931 114.5 46.0 -59.6 -46.4 0.8 -0.1 8.1 86 86 A L H X S+ 0 0 8 -4,-2.4 4,-2.5 -5,-0.3 5,-0.3 0.928 111.4 52.5 -62.3 -45.8 3.6 1.9 6.5 87 87 A A H X S+ 0 0 1 -4,-2.8 4,-3.1 1,-0.2 -2,-0.2 0.932 109.8 48.8 -56.2 -48.4 1.4 5.0 6.2 88 88 A R H X S+ 0 0 32 -4,-2.6 4,-3.2 2,-0.2 -1,-0.2 0.916 109.5 51.5 -59.7 -45.9 0.5 4.8 9.9 89 89 A E H X S+ 0 0 57 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.941 114.2 43.4 -58.8 -45.9 4.1 4.4 11.0 90 90 A L H X S+ 0 0 9 -4,-2.5 4,-2.8 2,-0.2 -2,-0.2 0.916 112.9 52.2 -65.6 -41.9 5.2 7.4 9.0 91 91 A I H X S+ 0 0 10 -4,-3.1 4,-3.0 -5,-0.3 -2,-0.2 0.915 106.3 54.9 -60.9 -39.7 2.2 9.4 10.1 92 92 A T H X S+ 0 0 24 -4,-3.2 4,-2.5 1,-0.2 -1,-0.2 0.940 109.1 47.2 -58.0 -45.8 3.1 8.5 13.7 93 93 A E H X S+ 0 0 11 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.919 110.8 52.1 -61.0 -43.3 6.6 10.0 13.0 94 94 A L H X S+ 0 0 3 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.913 108.9 50.2 -59.8 -42.8 4.9 13.0 11.5 95 95 A I H X S+ 0 0 12 -4,-3.0 4,-2.0 1,-0.2 -1,-0.2 0.927 107.7 53.1 -62.5 -42.9 2.7 13.5 14.6 96 96 A E H X S+ 0 0 70 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.901 107.1 53.1 -59.0 -38.9 5.8 13.2 16.8 97 97 A L H X S+ 0 0 3 -4,-2.2 4,-2.9 1,-0.2 -1,-0.2 0.919 104.3 54.8 -62.9 -41.6 7.4 16.0 14.7 98 98 A H H < S+ 0 0 5 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.906 107.8 50.9 -57.6 -39.1 4.3 18.2 15.3 99 99 A E H >< S+ 0 0 99 -4,-2.0 3,-1.4 1,-0.2 -1,-0.2 0.912 110.0 48.3 -64.9 -41.6 4.9 17.7 19.0 100 100 A K H 3< S+ 0 0 85 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.884 99.2 66.6 -66.9 -34.6 8.5 18.7 18.6 101 101 A L T 3< S- 0 0 39 -4,-2.9 2,-2.1 1,-0.2 -1,-0.3 0.475 109.5-130.3 -63.9 2.8 7.3 21.8 16.6 102 102 A K < 0 0 149 -3,-1.4 -1,-0.2 -5,-0.2 -4,-0.1 -0.372 360.0 360.0 81.3 -60.9 5.9 22.7 20.0 103 103 A A 0 0 72 -2,-2.1 -71,-0.2 -3,-0.0 -1,-0.2 -0.050 360.0 360.0 -34.5 360.0 2.4 23.4 18.5 104 !* 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 0.0 105 1 B A >> 0 0 42 0, 0.0 4,-4.7 0, 0.0 5,-0.6 0.000 360.0 360.0 360.0 170.2 10.7 -22.1 -7.2 106 2 B E H >5 + 0 0 163 2,-0.2 4,-2.2 3,-0.2 5,-0.2 0.802 360.0 11.1 -24.8 -86.0 14.0 -23.4 -5.7 107 3 B E H >5S+ 0 0 142 2,-0.2 4,-5.1 1,-0.2 5,-0.4 0.981 129.6 54.3 -66.3 -59.1 16.2 -20.3 -6.1 108 4 B L H >5S+ 0 0 61 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.867 114.2 44.3 -43.2 -42.8 13.5 -17.8 -7.1 109 5 B E H X5S+ 0 0 94 -4,-4.7 4,-2.0 2,-0.2 -1,-0.2 0.935 118.5 41.7 -70.0 -45.9 11.7 -18.8 -3.9 110 6 B E H XS+ 0 0 51 -4,-2.3 5,-2.6 1,-0.2 3,-0.3 0.911 106.3 53.3 -58.8 -42.0 19.7 8.2 15.7 133 29 B A H ><5S+ 0 0 1 -4,-1.7 3,-2.0 1,-0.2 -1,-0.2 0.912 104.1 54.8 -59.9 -43.1 18.3 11.5 14.4 134 30 B K H 3<5S+ 0 0 60 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.838 104.3 54.7 -60.2 -31.8 16.0 11.8 17.3 135 31 B Q T 3<5S- 0 0 122 -4,-1.5 -1,-0.3 -3,-0.3 -2,-0.2 0.500 123.0-110.5 -79.8 -2.0 19.0 11.4 19.6 136 32 B G T < 5S+ 0 0 30 -3,-2.0 2,-1.1 -4,-0.2 -3,-0.2 0.641 76.7 136.5 82.3 16.1 20.5 14.3 17.8 137 33 B D >< + 0 0 73 -5,-2.6 4,-2.1 1,-0.2 -1,-0.2 -0.689 17.8 164.2 -97.9 81.6 23.1 12.1 16.1 138 34 B F H > S+ 0 0 58 -2,-1.1 4,-2.8 2,-0.2 5,-0.2 0.848 73.3 57.3 -65.2 -35.4 23.1 13.4 12.5 139 35 B A H > S+ 0 0 85 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.951 110.5 41.1 -62.0 -50.9 26.4 11.7 11.7 140 36 B A H > S+ 0 0 35 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.891 114.1 54.2 -65.9 -37.7 25.2 8.2 12.7 141 37 B A H X S+ 0 0 1 -4,-2.1 4,-2.5 1,-0.2 5,-0.2 0.965 108.9 48.0 -59.4 -52.1 21.8 8.9 11.0 142 38 B K H X S+ 0 0 147 -4,-2.8 4,-2.0 1,-0.2 -1,-0.2 0.905 112.2 49.3 -54.5 -46.3 23.6 9.8 7.7 143 39 B A H X S+ 0 0 52 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.897 111.0 49.9 -62.0 -41.6 25.8 6.7 7.9 144 40 B M H X S+ 0 0 46 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.900 109.3 50.9 -66.0 -40.7 22.8 4.5 8.5 145 41 B M H X S+ 0 0 27 -4,-2.5 4,-2.8 2,-0.2 -1,-0.2 0.904 108.3 53.1 -62.8 -41.7 20.8 5.9 5.6 146 42 B D H X S+ 0 0 95 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.937 111.2 45.0 -59.8 -47.3 23.8 5.4 3.2 147 43 B Q H X S+ 0 0 111 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.904 111.7 53.2 -64.1 -40.6 24.0 1.7 4.2 148 44 B S H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.940 109.0 49.8 -59.4 -46.1 20.3 1.3 3.9 149 45 B R H X S+ 0 0 165 -4,-2.8 4,-3.0 1,-0.2 -1,-0.2 0.914 110.1 50.0 -57.8 -46.3 20.4 2.8 0.4 150 46 B M H X S+ 0 0 121 -4,-2.3 4,-2.4 2,-0.2 5,-0.2 0.911 110.0 51.1 -61.2 -41.5 23.2 0.4 -0.6 151 47 B A H X S+ 0 0 20 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.921 113.4 44.9 -61.6 -43.7 21.2 -2.5 0.7 152 48 B L H X S+ 0 0 13 -4,-2.5 4,-3.8 2,-0.2 5,-0.2 0.890 110.1 55.1 -66.4 -41.3 18.2 -1.4 -1.3 153 49 B N H X S+ 0 0 90 -4,-3.0 4,-2.5 2,-0.2 -2,-0.2 0.926 110.4 44.9 -59.4 -45.6 20.3 -0.8 -4.4 154 50 B E H X S+ 0 0 125 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.912 115.4 48.2 -64.8 -41.3 21.7 -4.3 -4.3 155 51 B A H X S+ 0 0 1 -4,-2.1 4,-2.4 -5,-0.2 -2,-0.2 0.934 111.9 49.0 -64.5 -45.2 18.2 -5.7 -3.7 156 52 B H H X S+ 0 0 94 -4,-3.8 4,-3.0 1,-0.2 -2,-0.2 0.892 108.3 54.6 -61.0 -40.6 16.7 -3.6 -6.5 157 53 B L H X S+ 0 0 106 -4,-2.5 4,-1.8 -5,-0.2 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1,-0.1 5,-0.2 -0.394 29.7-136.5 -56.1 125.6 -28.3 -7.6 0.7 391 81 D S H > S+ 0 0 64 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.807 101.5 48.8 -57.6 -32.1 -25.3 -9.5 2.2 392 82 D L H > S+ 0 0 133 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.898 112.0 47.8 -74.6 -41.9 -26.5 -12.9 1.1 393 83 D L H 4>S+ 0 0 47 2,-0.2 5,-2.6 1,-0.2 4,-0.3 0.877 116.0 47.1 -64.8 -37.2 -27.1 -11.7 -2.5 394 84 D Y H ><5S+ 0 0 9 -4,-2.4 3,-1.3 3,-0.2 -2,-0.2 0.948 111.4 47.8 -69.9 -50.7 -23.7 -10.1 -2.4 395 85 D G H 3<5S+ 0 0 38 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.884 113.9 47.9 -58.1 -39.7 -21.8 -13.1 -0.9 396 86 D K T 3<5S- 0 0 180 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.521 108.4-127.4 -78.2 -8.7 -23.4 -15.4 -3.5 397 87 D V T < 5 - 0 0 30 -3,-1.3 2,-1.5 -4,-0.3 -3,-0.2 0.896 38.1-179.6 58.7 47.0 -22.6 -13.0 -6.3 398 88 D D >< + 0 0 62 -5,-2.6 4,-2.3 1,-0.2 5,-0.3 -0.598 10.0 178.1 -83.1 89.1 -26.2 -13.0 -7.5 399 89 D G H > S+ 0 0 2 -2,-1.5 4,-1.9 2,-0.2 -1,-0.2 0.882 80.2 46.8 -58.4 -42.9 -26.1 -10.6 -10.5 400 90 D L H > S+ 0 0 48 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.955 112.0 50.2 -67.5 -45.0 -29.8 -11.1 -11.3 401 91 D G H > S+ 0 0 13 1,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.881 113.8 43.3 -60.4 -43.8 -30.9 -10.6 -7.7 402 92 D V H X S+ 0 0 3 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.883 111.1 55.2 -72.0 -37.3 -29.0 -7.4 -7.1 403 93 D L H X S+ 0 0 5 -4,-1.9 4,-2.2 -5,-0.3 5,-0.2 0.944 108.2 50.5 -59.3 -44.0 -30.0 -6.1 -10.5 404 94 D K H X S+ 0 0 136 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.892 108.9 50.3 -59.9 -43.6 -33.6 -6.6 -9.5 405 95 D A H X S+ 0 0 35 -4,-1.7 4,-2.3 1,-0.2 -1,-0.2 0.869 110.8 50.5 -64.3 -34.1 -33.2 -4.8 -6.2 406 96 D A H X S+ 0 0 0 -4,-2.1 4,-1.6 2,-0.2 -2,-0.2 0.898 109.9 47.3 -71.2 -44.7 -31.6 -1.8 -8.0 407 97 D V H X S+ 0 0 49 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.929 112.5 52.9 -63.0 -41.4 -34.4 -1.5 -10.6 408 98 D A H X S+ 0 0 51 -4,-2.2 4,-3.1 1,-0.2 5,-0.3 0.931 105.6 51.8 -59.7 -48.2 -36.9 -1.7 -7.7 409 99 D A H X S+ 0 0 9 -4,-2.3 4,-0.7 1,-0.2 -1,-0.2 0.871 110.5 50.5 -59.0 -34.2 -35.2 1.1 -5.8 410 100 D I H X S+ 0 0 31 -4,-1.6 4,-1.5 2,-0.2 -1,-0.2 0.915 113.7 43.4 -68.9 -44.2 -35.4 3.2 -8.9 411 101 D K H >X S+ 0 0 148 -4,-2.3 4,-0.6 1,-0.2 3,-0.5 0.955 112.2 51.1 -65.7 -52.3 -39.1 2.5 -9.4 412 102 D K H 3< S+ 0 0 174 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.724 112.7 51.2 -58.9 -18.7 -40.0 3.0 -5.8 413 103 D A H 3< S+ 0 0 60 -4,-0.7 -1,-0.2 -5,-0.3 -2,-0.2 0.786 104.7 51.6 -87.4 -34.9 -38.2 6.3 -6.0 414 104 D A H << 0 0 88 -4,-1.5 -2,-0.2 -3,-0.5 -1,-0.2 0.365 360.0 360.0 -83.2 4.4 -39.9 7.7 -9.1 415 105 D A < 0 0 135 -4,-0.6 -3,-0.2 -5,-0.1 -4,-0.1 -0.215 360.0 360.0-178.6 360.0 -43.3 7.0 -7.4