==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 13-OCT-05 2D4C . COMPND 2 MOLECULE: SH3-CONTAINING GRB2-LIKE PROTEIN 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.MASUDA,S.TAKEDA . 898 9 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 46039.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 792 88.2 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 . 5 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 4.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 726 80.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 19 2.1 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 1 0 0 1 0 5 3 0 0 0 0 0 4 0 0 0 0 0 0 1 0 0 0 0 0 4 11 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 11 A H > 0 0 133 0, 0.0 4,-2.2 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0 66.4 3.9 72.4 17.6 2 12 A K H > + 0 0 151 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.865 360.0 52.6 -38.7 -62.5 2.3 70.5 20.5 3 13 A A H > S+ 0 0 45 1,-0.3 4,-1.8 2,-0.2 3,-0.2 0.915 112.1 45.3 -44.3 -56.7 -0.4 68.7 18.6 4 14 A T H > S+ 0 0 2 -3,-0.2 4,-2.1 1,-0.2 -1,-0.3 0.870 113.7 51.0 -58.1 -38.6 2.1 67.3 16.1 5 15 A Q H X S+ 0 0 69 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.832 105.6 54.8 -70.0 -33.2 4.4 66.3 18.9 6 16 A K H X S+ 0 0 116 -4,-2.7 4,-1.2 -3,-0.2 -1,-0.2 0.901 110.7 45.5 -67.5 -39.1 1.7 64.5 20.9 7 17 A V H X S+ 0 0 8 -4,-1.8 4,-2.6 -5,-0.2 3,-0.4 0.945 111.2 53.0 -67.6 -46.6 0.9 62.3 17.9 8 18 A S H X S+ 0 0 19 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.850 107.8 50.7 -56.4 -39.3 4.6 61.7 17.2 9 19 A E H < S+ 0 0 115 -4,-2.0 7,-0.4 3,-0.2 6,-0.4 0.818 114.3 45.8 -70.5 -29.8 5.1 60.5 20.8 10 20 A K H >< S+ 0 0 57 -4,-1.2 6,-1.2 -3,-0.4 3,-0.6 0.987 123.9 29.5 -73.8 -64.7 2.2 58.2 20.6 11 21 A V H 3< S+ 0 0 11 -4,-2.6 -3,-0.2 1,-0.2 -2,-0.2 0.849 134.2 32.2 -65.5 -40.0 2.9 56.6 17.2 12 22 A G T 3< S+ 0 0 50 -4,-2.2 -1,-0.2 -5,-0.4 -3,-0.2 0.249 119.7 55.7-104.0 13.5 6.7 56.9 17.3 13 23 A G S <> S- 0 0 20 -3,-0.6 4,-2.5 -4,-0.3 3,-0.3 -0.211 108.7 -42.4-120.9-148.7 7.0 56.5 21.0 14 24 A A H > S+ 0 0 85 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.915 130.0 48.1 -49.4 -57.6 6.2 54.2 24.0 15 25 A E H > S+ 0 0 72 -6,-0.4 4,-2.1 1,-0.2 -1,-0.2 0.848 112.1 51.8 -56.9 -33.8 2.6 53.3 22.9 16 26 A G H > S+ 0 0 8 -6,-1.2 4,-2.6 -7,-0.4 -1,-0.2 0.948 110.8 46.1 -67.2 -47.2 3.8 52.6 19.4 17 27 A T H X S+ 0 0 78 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.815 110.3 55.2 -64.8 -31.4 6.5 50.2 20.6 18 28 A K H X S+ 0 0 109 -4,-2.4 4,-2.6 -5,-0.2 -1,-0.2 0.945 110.2 44.4 -67.3 -47.6 4.1 48.6 23.0 19 29 A L H X S+ 0 0 2 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.945 113.1 52.0 -60.1 -48.3 1.6 47.8 20.1 20 30 A D H X S+ 0 0 35 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.914 111.1 47.5 -54.2 -46.0 4.5 46.7 18.0 21 31 A D H X S+ 0 0 81 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.902 107.5 56.2 -63.1 -42.1 5.7 44.3 20.8 22 32 A D H X S+ 0 0 61 -4,-2.6 4,-1.7 1,-0.2 -1,-0.2 0.854 109.4 47.0 -58.4 -36.1 2.1 43.0 21.2 23 33 A F H X S+ 0 0 0 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.898 112.0 49.4 -72.2 -41.3 2.1 42.0 17.6 24 34 A K H X S+ 0 0 104 -4,-2.1 4,-2.2 -5,-0.2 -2,-0.2 0.833 108.6 53.9 -68.1 -31.8 5.5 40.4 17.7 25 35 A E H X S+ 0 0 65 -4,-2.6 4,-2.9 2,-0.2 5,-0.2 0.954 110.1 44.9 -67.0 -50.5 4.5 38.4 20.8 26 36 A M H X S+ 0 0 9 -4,-1.7 4,-2.3 1,-0.2 -2,-0.2 0.887 110.8 55.4 -60.9 -37.9 1.4 36.9 19.2 27 37 A E H X S+ 0 0 47 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.957 109.7 47.2 -57.7 -48.9 3.5 36.2 16.1 28 38 A R H X S+ 0 0 98 -4,-2.2 4,-2.4 1,-0.2 5,-0.3 0.959 110.5 50.8 -56.1 -55.5 5.9 34.3 18.3 29 39 A K H X S+ 0 0 37 -4,-2.9 4,-2.0 1,-0.2 -1,-0.2 0.829 110.4 51.3 -53.8 -34.2 3.1 32.4 20.0 30 40 A V H X S+ 0 0 3 -4,-2.3 4,-2.6 -5,-0.2 -1,-0.2 0.924 108.6 49.4 -71.5 -43.1 1.7 31.5 16.6 31 41 A D H X S+ 0 0 70 -4,-2.4 4,-2.6 1,-0.2 5,-0.2 0.955 114.9 44.7 -58.0 -52.5 5.0 30.1 15.3 32 42 A V H X S+ 0 0 3 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.882 113.9 48.4 -59.8 -43.9 5.6 28.0 18.4 33 43 A T H X S+ 0 0 12 -4,-2.0 4,-2.7 -5,-0.3 -1,-0.2 0.907 111.3 53.0 -64.6 -39.7 2.0 26.7 18.4 34 44 A S H X S+ 0 0 28 -4,-2.6 4,-1.5 1,-0.2 -2,-0.2 0.941 114.0 39.8 -60.0 -51.5 2.3 25.9 14.7 35 45 A R H X S+ 0 0 83 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.855 114.4 54.7 -68.4 -34.9 5.5 23.9 15.2 36 46 A A H X S+ 0 0 0 -4,-2.5 4,-3.1 -5,-0.2 5,-0.3 0.957 106.5 50.0 -63.0 -51.3 4.2 22.2 18.4 37 47 A V H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 5,-0.2 0.886 109.9 51.7 -55.7 -42.8 1.0 21.0 16.8 38 48 A M H X S+ 0 0 65 -4,-1.5 4,-2.0 -5,-0.2 -1,-0.2 0.958 114.9 41.1 -59.2 -51.4 3.0 19.4 13.9 39 49 A E H X S+ 0 0 66 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.885 116.0 48.5 -64.7 -42.9 5.4 17.6 16.2 40 50 A I H X S+ 0 0 2 -4,-3.1 4,-1.9 2,-0.2 -1,-0.2 0.877 110.7 52.1 -67.5 -36.2 2.7 16.5 18.7 41 51 A M H X S+ 0 0 7 -4,-2.3 4,-2.2 -5,-0.3 -1,-0.2 0.906 111.2 48.0 -65.1 -41.9 0.5 15.3 15.8 42 52 A T H X S+ 0 0 47 -4,-2.0 4,-2.1 -5,-0.2 -2,-0.2 0.911 112.5 46.2 -66.9 -44.3 3.4 13.2 14.5 43 53 A K H X S+ 0 0 45 -4,-2.4 4,-1.3 2,-0.2 -1,-0.2 0.825 110.8 54.2 -69.7 -30.3 4.3 11.6 17.8 44 54 A T H X S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 3,-0.3 0.953 109.3 47.8 -66.5 -47.4 0.7 10.8 18.5 45 55 A I H X S+ 0 0 32 -4,-2.2 4,-2.4 1,-0.3 -2,-0.2 0.897 112.3 49.0 -58.9 -41.9 0.4 9.0 15.2 46 56 A E H < S+ 0 0 51 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.759 110.5 52.3 -71.1 -22.3 3.6 7.1 15.9 47 57 A Y H < S+ 0 0 22 -4,-1.3 -2,-0.2 -3,-0.3 -1,-0.2 0.884 111.0 45.9 -79.0 -39.0 2.2 6.3 19.3 48 58 A L H < S+ 0 0 2 -4,-2.5 -2,-0.2 1,-0.3 -3,-0.2 0.871 131.2 21.6 -70.3 -37.5 -1.0 4.9 17.8 49 59 A Q < + 0 0 21 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.1 -0.720 66.6 174.6-133.1 83.5 0.8 2.9 15.1 50 60 A P + 0 0 24 0, 0.0 -1,-0.1 0, 0.0 5,-0.1 0.748 63.4 85.7 -59.0 -27.3 4.5 2.3 16.2 51 61 A N S > S- 0 0 40 228,-0.2 3,-2.1 1,-0.2 228,-0.2 -0.713 72.6-152.9 -81.3 108.7 5.0 0.1 13.2 52 62 A P G > S+ 0 0 63 0, 0.0 3,-1.7 0, 0.0 4,-0.3 0.834 90.0 63.5 -49.6 -43.5 6.0 2.5 10.3 53 63 A A G 3 S+ 0 0 54 1,-0.3 3,-0.2 2,-0.1 -2,-0.0 0.704 107.1 47.8 -58.8 -16.0 4.8 0.3 7.5 54 64 A S G < S+ 0 0 15 -3,-2.1 4,-0.3 1,-0.1 -1,-0.3 -0.004 84.2 85.7-118.0 33.4 1.3 0.8 9.0 55 65 A R < + 0 0 61 -3,-1.7 -1,-0.1 2,-0.1 -2,-0.1 0.462 62.0 97.7-104.4 -8.0 1.1 4.6 9.6 56 66 A A S S+ 0 0 84 -4,-0.3 -1,-0.1 -3,-0.2 -2,-0.1 0.925 87.8 37.4 -44.5 -65.2 -0.1 5.3 6.1 57 67 A K 0 0 185 1,-0.2 -1,-0.2 3,-0.0 -2,-0.1 0.950 360.0 360.0 -55.3 -55.5 -3.9 5.5 6.9 58 68 A L 0 0 24 -4,-0.3 -1,-0.2 -13,-0.1 -2,-0.2 0.750 360.0 360.0 -51.3 360.0 -3.4 7.2 10.2 59 ! 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 60 86 A Y 0 0 199 0, 0.0 2,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 176.3 -2.7 -3.1 8.0 61 87 A P - 0 0 75 0, 0.0 5,-0.0 0, 0.0 -7,-0.0 -0.499 360.0 -94.6 -81.7 154.0 -4.4 -5.1 10.8 62 88 A Q > - 0 0 10 -2,-0.1 4,-1.6 1,-0.1 3,-0.3 -0.302 28.9-121.3 -61.9 148.1 -3.9 -4.2 14.5 63 89 A A H > S+ 0 0 21 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.896 115.4 58.3 -58.1 -39.0 -1.2 -6.2 16.2 64 90 A E H > S+ 0 0 15 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.896 103.0 53.1 -57.2 -41.5 -3.9 -7.4 18.6 65 91 A A H > S+ 0 0 29 -3,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.875 107.4 49.2 -64.0 -40.8 -5.9 -8.8 15.7 66 92 A L H X S+ 0 0 73 -4,-1.6 4,-2.3 2,-0.2 -1,-0.2 0.853 111.7 49.9 -68.9 -32.6 -2.9 -10.9 14.4 67 93 A L H X S+ 0 0 0 -4,-1.9 4,-2.2 2,-0.2 5,-0.2 0.934 109.6 50.5 -69.6 -44.6 -2.3 -12.3 17.9 68 94 A A H X S+ 0 0 1 -4,-2.5 4,-2.3 1,-0.2 5,-0.2 0.890 109.6 52.8 -58.7 -38.8 -6.0 -13.2 18.2 69 95 A E H X S+ 0 0 127 -4,-2.0 4,-2.8 1,-0.2 -2,-0.2 0.979 108.6 48.5 -58.9 -58.0 -5.8 -14.9 14.9 70 96 A A H X S+ 0 0 1 -4,-2.3 4,-1.7 1,-0.2 5,-0.2 0.811 112.9 47.6 -52.8 -39.3 -2.7 -17.0 15.9 71 97 A M H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.911 113.4 46.9 -72.0 -42.5 -4.4 -18.1 19.2 72 98 A L H X S+ 0 0 38 -4,-2.3 4,-2.1 -5,-0.2 -2,-0.2 0.910 111.6 51.0 -66.2 -43.0 -7.7 -19.1 17.6 73 99 A K H >X S+ 0 0 69 -4,-2.8 4,-1.9 -5,-0.2 3,-0.9 0.996 119.8 34.5 -58.1 -64.2 -6.1 -21.0 14.8 74 100 A F H 3X S+ 0 0 3 -4,-1.7 4,-1.8 1,-0.3 -1,-0.2 0.817 110.8 66.3 -61.6 -27.2 -3.9 -23.1 17.1 75 101 A G H 3X S+ 0 0 5 -4,-2.2 4,-1.0 -5,-0.2 -1,-0.3 0.918 110.9 35.0 -59.4 -40.0 -6.7 -23.0 19.6 76 102 A R H << S+ 0 0 179 -4,-2.1 -2,-0.2 -3,-0.9 -1,-0.2 0.725 110.4 61.1 -87.2 -22.8 -8.7 -25.1 17.2 77 103 A E H < S+ 0 0 71 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.823 104.5 51.8 -72.6 -27.7 -5.9 -27.2 15.8 78 104 A L H < S- 0 0 9 -4,-1.8 3,-0.2 -5,-0.2 -2,-0.2 0.925 107.7-137.4 -71.9 -45.3 -5.3 -28.5 19.3 79 105 A G < - 0 0 21 -4,-1.0 -1,-0.2 -5,-0.2 6,-0.1 -0.488 18.6 -81.5 114.0 175.0 -8.9 -29.6 19.8 80 106 A D S S+ 0 0 146 -2,-0.2 -1,-0.1 5,-0.1 -4,-0.0 0.278 107.2 81.9-101.8 9.4 -11.5 -29.5 22.6 81 107 A D S S+ 0 0 165 -3,-0.2 -1,-0.1 5,-0.0 -2,-0.1 0.907 92.3 47.2 -78.7 -43.5 -10.2 -32.5 24.4 82 108 A C S S- 0 0 20 -4,-0.1 334,-0.1 -3,-0.1 -3,-0.0 0.103 83.8-123.0 -80.3-163.9 -7.5 -30.6 26.3 83 109 A N S > S+ 0 0 40 2,-0.1 4,-2.2 333,-0.1 5,-0.1 0.617 101.8 62.9-115.2 -29.3 -7.7 -27.3 28.2 84 110 A F H > S+ 0 0 7 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.906 98.5 56.4 -65.5 -42.8 -5.1 -25.3 26.3 85 111 A G H > S+ 0 0 1 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.964 114.6 36.9 -54.6 -57.5 -6.9 -25.5 23.0 86 112 A P H > S+ 0 0 24 0, 0.0 4,-2.7 0, 0.0 -1,-0.2 0.863 113.4 58.8 -64.4 -34.5 -10.1 -23.9 24.4 87 113 A A H X S+ 0 0 0 -4,-2.2 4,-2.9 1,-0.2 5,-0.4 0.944 105.2 49.3 -58.8 -48.2 -8.1 -21.6 26.6 88 114 A L H X S+ 0 0 0 -4,-3.0 4,-2.5 1,-0.2 -1,-0.2 0.864 109.8 53.5 -58.4 -35.5 -6.4 -20.2 23.5 89 115 A G H X S+ 0 0 22 -4,-1.5 4,-2.3 -5,-0.2 -2,-0.2 0.936 110.4 45.9 -64.9 -44.3 -9.9 -19.8 22.1 90 116 A E H X S+ 0 0 42 -4,-2.7 4,-1.5 2,-0.2 -2,-0.2 0.947 118.7 39.7 -63.5 -51.0 -11.0 -17.9 25.1 91 117 A V H X S+ 0 0 0 -4,-2.9 4,-2.1 2,-0.2 -1,-0.2 0.836 112.1 59.3 -67.9 -34.0 -8.0 -15.6 25.2 92 118 A G H X S+ 0 0 0 -4,-2.5 4,-2.0 -5,-0.4 -2,-0.2 0.950 105.5 47.2 -59.6 -49.0 -8.0 -15.4 21.4 93 119 A E H X S+ 0 0 80 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.870 109.3 56.0 -59.8 -36.1 -11.5 -13.9 21.5 94 120 A A H X S+ 0 0 3 -4,-1.5 4,-1.4 1,-0.2 -1,-0.2 0.892 106.5 49.6 -63.9 -38.9 -10.3 -11.5 24.2 95 121 A M H X S+ 0 0 0 -4,-2.1 4,-1.6 2,-0.2 -2,-0.2 0.884 108.7 52.1 -66.9 -39.4 -7.5 -10.3 21.9 96 122 A R H X S+ 0 0 92 -4,-2.0 4,-1.7 1,-0.2 -2,-0.2 0.910 108.5 50.7 -63.1 -43.6 -9.9 -9.7 19.0 97 123 A E H X S+ 0 0 81 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.829 109.5 51.3 -63.9 -31.5 -12.2 -7.7 21.2 98 124 A L H X S+ 0 0 2 -4,-1.4 4,-2.0 1,-0.2 -1,-0.2 0.810 106.3 54.8 -73.7 -29.1 -9.1 -5.7 22.2 99 125 A S H X S+ 0 0 7 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.840 106.0 52.5 -70.0 -33.8 -8.4 -5.2 18.6 100 126 A E H X S+ 0 0 94 -4,-1.7 4,-1.8 2,-0.2 -2,-0.2 0.941 111.4 45.3 -65.4 -48.8 -11.9 -3.8 18.2 101 127 A V H X S+ 0 0 9 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.845 110.9 53.3 -64.0 -36.4 -11.3 -1.3 21.0 102 128 A K H X S+ 0 0 20 -4,-2.0 4,-2.6 2,-0.2 5,-0.2 0.925 105.2 55.2 -64.9 -44.4 -7.9 -0.3 19.6 103 129 A D H X S+ 0 0 65 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.928 108.3 49.0 -50.9 -50.0 -9.5 0.4 16.2 104 130 A S H X S+ 0 0 60 -4,-1.8 4,-3.6 2,-0.2 5,-0.3 0.910 108.2 53.4 -58.5 -45.5 -11.8 2.8 18.0 105 131 A L H X S+ 0 0 5 -4,-2.2 4,-2.9 1,-0.2 5,-0.4 0.964 110.2 46.8 -54.4 -54.1 -9.0 4.5 19.8 106 132 A D H X S+ 0 0 16 -4,-2.6 4,-1.7 1,-0.2 -1,-0.2 0.876 116.5 45.8 -55.1 -42.1 -7.1 5.1 16.5 107 133 A I H X S+ 0 0 109 -4,-2.3 4,-2.4 -5,-0.2 -2,-0.2 0.922 115.1 44.2 -70.3 -45.7 -10.3 6.4 14.9 108 134 A E H X S+ 0 0 92 -4,-3.6 4,-2.2 2,-0.2 -2,-0.2 0.834 114.9 48.1 -71.2 -31.9 -11.4 8.6 17.7 109 135 A V H X>S+ 0 0 1 -4,-2.9 5,-1.9 -5,-0.3 4,-1.4 0.911 112.6 50.1 -72.8 -40.3 -7.9 10.1 18.3 110 136 A K H <>S+ 0 0 61 -4,-1.7 5,-2.5 -5,-0.4 -2,-0.2 0.938 117.5 39.8 -59.9 -47.7 -7.6 10.7 14.5 111 137 A Q H <5S+ 0 0 117 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.813 124.9 32.3 -74.8 -34.9 -11.0 12.4 14.4 112 138 A N H <5S+ 0 0 73 -4,-2.2 -1,-0.2 -5,-0.2 83,-0.2 0.417 134.1 15.9-106.3 2.8 -11.0 14.5 17.6 113 139 A F T X5S+ 0 0 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0.910 109.2 55.6 -71.0 -41.4 -2.1 -44.6 17.8 250 32 B D H X S+ 0 0 53 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.944 110.5 44.9 -55.0 -49.5 -1.8 -43.4 21.4 251 33 B F H X S+ 0 0 1 -4,-2.0 4,-1.7 1,-0.2 -1,-0.2 0.885 116.7 47.0 -61.0 -39.1 1.9 -42.7 20.8 252 34 B K H X S+ 0 0 99 -4,-1.8 4,-1.2 2,-0.2 -2,-0.2 0.871 109.1 54.0 -71.0 -37.0 1.0 -41.1 17.5 253 35 B E H X S+ 0 0 122 -4,-3.8 4,-2.0 1,-0.2 3,-0.4 0.938 110.6 46.4 -62.2 -47.2 -1.8 -39.0 19.0 254 36 B M H X S+ 0 0 14 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.835 108.2 54.5 -66.1 -35.6 0.6 -37.6 21.6 255 37 B E H X S+ 0 0 50 -4,-1.7 4,-1.6 2,-0.2 -1,-0.2 0.763 108.7 51.6 -70.4 -23.7 3.3 -36.8 19.1 256 38 B R H X S+ 0 0 110 -4,-1.2 4,-2.8 -3,-0.4 5,-0.2 0.938 107.9 49.1 -75.2 -49.4 0.8 -34.8 17.2 257 39 B K H X S+ 0 0 45 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.841 111.9 51.4 -59.1 -32.9 -0.4 -32.8 20.1 258 40 B V H X S+ 0 0 2 -4,-1.7 4,-2.6 2,-0.2 -1,-0.2 0.915 109.4 48.8 -71.0 -42.6 3.2 -32.0 20.9 259 41 B D H X S+ 0 0 73 -4,-1.6 4,-2.6 2,-0.2 5,-0.2 0.936 113.9 46.3 -61.0 -47.8 3.9 -30.8 17.4 260 42 B V H X S+ 0 0 1 -4,-2.8 4,-2.9 1,-0.2 -2,-0.2 0.941 112.4 49.9 -60.1 -48.7 0.9 -28.6 17.4 261 43 B T H X S+ 0 0 9 -4,-2.4 4,-3.0 -5,-0.2 5,-0.2 0.903 111.4 51.1 -56.3 -42.8 1.8 -27.2 20.9 262 44 B S H X S+ 0 0 28 -4,-2.6 4,-1.9 2,-0.2 -2,-0.2 0.943 113.4 41.4 -61.6 -52.0 5.3 -26.6 19.6 263 45 B R H X S+ 0 0 93 -4,-2.6 4,-2.2 2,-0.2 5,-0.2 0.886 116.5 52.0 -63.9 -38.3 4.2 -24.7 16.5 264 46 B A H X S+ 0 0 0 -4,-2.9 4,-2.9 -5,-0.2 5,-0.3 0.980 108.8 47.5 -60.6 -60.6 1.5 -22.9 18.5 265 47 B V H X S+ 0 0 1 -4,-3.0 4,-1.7 1,-0.2 -1,-0.2 0.850 112.6 51.7 -49.8 -40.4 3.8 -21.7 21.3 266 48 B M H X S+ 0 0 65 -4,-1.9 4,-1.8 -5,-0.2 -1,-0.2 0.934 114.0 40.2 -66.0 -48.0 6.4 -20.4 18.7 267 49 B E H X S+ 0 0 57 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.859 115.3 51.2 -71.4 -35.6 3.9 -18.4 16.6 268 50 B I H X S+ 0 0 3 -4,-2.9 4,-1.7 -5,-0.2 -1,-0.2 0.862 108.8 52.9 -69.0 -34.0 2.1 -17.0 19.7 269 51 B M H X S+ 0 0 6 -4,-1.7 4,-2.0 -5,-0.3 -2,-0.2 0.924 111.4 46.1 -65.0 -45.4 5.4 -16.0 21.2 270 52 B T H X S+ 0 0 52 -4,-1.8 4,-1.8 1,-0.2 -2,-0.2 0.885 113.6 47.5 -65.6 -42.1 6.3 -14.1 18.0 271 53 B K H X S+ 0 0 53 -4,-2.3 4,-1.4 2,-0.2 -1,-0.2 0.784 109.2 55.3 -72.8 -26.2 2.9 -12.4 17.7 272 54 B T H X S+ 0 0 0 -4,-1.7 4,-2.5 2,-0.2 3,-0.3 0.956 107.8 47.7 -69.5 -48.7 3.0 -11.4 21.3 273 55 B I H X S+ 0 0 21 -4,-2.0 4,-2.9 1,-0.3 -2,-0.2 0.903 112.6 49.5 -57.1 -42.3 6.3 -9.6 21.0 274 56 B E H < S+ 0 0 58 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.808 109.9 52.0 -69.0 -27.6 5.0 -7.9 17.9 275 57 B Y H < S+ 0 0 19 -4,-1.4 -2,-0.2 -3,-0.3 -1,-0.2 0.890 112.4 45.3 -73.6 -40.3 1.9 -6.9 19.8 276 58 B L H < S+ 0 0 3 -4,-2.5 -2,-0.2 1,-0.3 -3,-0.2 0.933 132.1 18.8 -67.7 -47.4 4.0 -5.4 22.7 277 59 B Q < + 0 0 6 -4,-2.9 -1,-0.3 -5,-0.2 6,-0.2 -0.710 61.8 170.8-128.4 82.2 6.4 -3.6 20.3 278 60 B P + 0 0 25 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.809 64.5 89.4 -58.4 -27.8 4.9 -3.1 16.8 279 61 B N S > S- 0 0 35 1,-0.2 4,-2.0 -228,-0.2 3,-0.2 -0.608 74.8-150.1 -72.8 111.7 7.9 -0.9 16.2 280 62 B P H > S+ 0 0 57 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.868 91.2 54.1 -53.0 -42.0 10.6 -3.2 14.8 281 63 B A H > S+ 0 0 72 1,-0.2 4,-0.9 2,-0.2 -2,-0.0 0.928 115.0 39.8 -59.9 -45.4 13.6 -1.2 16.2 282 64 B S H > S+ 0 0 15 -3,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.771 113.8 56.5 -73.7 -26.5 12.3 -1.2 19.7 283 65 B R H X S+ 0 0 52 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.898 99.8 56.3 -71.4 -43.2 11.1 -4.8 19.3 284 66 B A H < S+ 0 0 64 -4,-2.5 -1,-0.2 1,-0.3 4,-0.2 0.870 109.9 48.5 -56.8 -35.3 14.6 -6.1 18.4 285 67 B K H >X S+ 0 0 86 -4,-0.9 3,-1.1 -5,-0.2 4,-1.1 0.827 103.4 60.3 -74.8 -32.5 15.7 -4.6 21.7 286 68 B L H >< S+ 0 0 0 -4,-1.3 3,-0.5 1,-0.3 -2,-0.2 0.941 101.2 53.2 -59.5 -47.9 12.8 -6.2 23.6 287 69 B S T 3< S+ 0 0 65 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.588 99.0 69.3 -63.5 -10.6 14.0 -9.7 22.6 288 70 B M T <4 0 0 139 -3,-1.1 -1,-0.2 -5,-0.2 -2,-0.2 0.954 360.0 360.0 -71.9 -52.9 17.4 -8.6 24.0 289 71 B I << 0 0 88 -4,-1.1 -2,-0.2 -3,-0.5 -1,-0.1 0.926 360.0 360.0 -42.8 360.0 16.3 -8.5 27.7 290 ! 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 0.0 291 84 B P 0 0 61 0, 0.0 -5,-0.1 0, 0.0 45,-0.0 0.000 360.0 360.0 360.0 160.1 14.1 -1.9 28.9 292 85 B G + 0 0 52 -7,-0.2 -6,-0.0 -10,-0.1 -7,-0.0 -0.006 360.0 66.2-104.0 30.3 16.9 -0.5 26.8 293 86 B Y S S- 0 0 16 -8,-0.0 2,-0.3 -11,-0.0 -11,-0.0 -0.967 83.3-105.1-145.3 156.8 14.6 1.3 24.4 294 87 B P - 0 0 72 0, 0.0 2,-0.2 0, 0.0 -2,-0.1 -0.637 29.4-128.3 -88.2 142.6 12.1 4.2 24.5 295 88 B Q >> - 0 0 4 -2,-0.3 4,-1.5 1,-0.1 3,-0.7 -0.616 20.6-120.5 -85.6 147.5 8.4 3.8 24.5 296 89 B A H 3> S+ 0 0 23 1,-0.3 4,-2.0 -2,-0.2 5,-0.2 0.870 115.5 59.5 -55.2 -35.1 6.3 5.7 21.9 297 90 B E H 3> S+ 0 0 13 1,-0.2 4,-2.7 2,-0.2 -1,-0.3 0.896 102.1 52.3 -60.2 -40.1 4.5 7.2 24.9 298 91 B A H <> S+ 0 0 15 -3,-0.7 4,-2.3 1,-0.2 -1,-0.2 0.851 108.5 50.4 -65.5 -34.5 7.8 8.7 26.2 299 92 B L H X S+ 0 0 60 -4,-1.5 4,-1.7 2,-0.2 -1,-0.2 0.842 111.9 47.0 -72.6 -33.4 8.5 10.3 22.8 300 93 B L H X S+ 0 0 0 -4,-2.0 4,-2.4 -5,-0.2 -2,-0.2 0.910 111.1 53.1 -71.5 -42.1 5.0 11.8 22.8 301 94 B A H X S+ 0 0 1 -4,-2.7 4,-2.8 1,-0.2 5,-0.2 0.933 108.3 49.8 -56.8 -49.3 5.6 13.0 26.4 302 95 B E H X S+ 0 0 117 -4,-2.3 4,-2.9 1,-0.2 -1,-0.2 0.908 109.1 51.6 -58.5 -44.3 8.8 14.6 25.4 303 96 B A H X S+ 0 0 6 -4,-1.7 4,-2.1 2,-0.2 5,-0.3 0.930 113.1 44.6 -59.4 -47.5 7.3 16.5 22.5 304 97 B M H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.931 115.8 46.6 -64.0 -45.0 4.5 17.9 24.7 305 98 B L H X S+ 0 0 73 -4,-2.8 4,-1.9 2,-0.2 -2,-0.2 0.891 110.9 52.6 -65.5 -40.5 6.8 18.8 27.5 306 99 B K H X S+ 0 0 113 -4,-2.9 4,-1.9 -5,-0.2 3,-0.3 0.982 118.2 35.3 -59.5 -57.6 9.3 20.5 25.2 307 100 B F H X S+ 0 0 12 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.750 109.9 64.2 -70.7 -22.5 6.7 22.7 23.5 308 101 B G H X S+ 0 0 6 -4,-2.1 4,-1.5 -5,-0.3 -1,-0.2 0.929 107.2 44.6 -64.1 -40.8 4.8 23.1 26.7 309 102 B R H < S+ 0 0 216 -4,-1.9 -2,-0.2 -3,-0.3 -1,-0.2 0.931 111.4 51.6 -66.5 -47.7 7.9 24.9 28.0 310 103 B E H < S+ 0 0 66 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.780 106.6 55.2 -62.5 -28.7 8.4 27.0 24.9 311 104 B L H < S- 0 0 4 -4,-1.9 3,-0.2 -5,-0.1 -1,-0.2 0.917 101.3-147.8 -71.1 -43.8 4.8 28.2 24.9 312 105 B G < - 0 0 21 -4,-1.5 3,-0.4 -5,-0.2 6,-0.2 -0.282 25.0 -79.9 100.7 173.2 5.0 29.6 28.4 313 106 B D S S+ 0 0 144 1,-0.2 -1,-0.1 5,-0.2 -4,-0.0 0.274 103.0 95.1 -96.5 8.9 2.6 30.0 31.3 314 107 B D S S+ 0 0 133 -3,-0.2 2,-0.2 2,-0.0 -1,-0.2 0.493 95.3 31.2 -77.0 -2.6 1.1 33.1 29.8 315 108 B C S S- 0 0 17 -3,-0.4 -132,-0.1 -129,-0.0 5,-0.0 -0.785 82.4-117.7-140.2-177.9 -1.6 30.8 28.4 316 109 B N S > S+ 0 0 25 -2,-0.2 4,-2.0 2,-0.1 5,-0.1 0.668 103.4 64.9-100.4 -23.3 -3.3 27.5 29.3 317 110 B F H > S+ 0 0 6 2,-0.2 4,-2.1 3,-0.2 5,-0.2 0.902 99.6 55.8 -67.6 -40.0 -2.1 25.3 26.4 318 111 B G H >> S+ 0 0 1 -6,-0.2 4,-1.0 1,-0.2 3,-0.6 0.983 114.8 35.1 -56.1 -63.7 1.5 25.6 27.5 319 112 B P H 3> S+ 0 0 23 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.818 114.3 60.3 -62.6 -28.7 0.9 24.3 31.1 320 113 B A H 3X S+ 0 0 0 -4,-2.0 4,-2.1 1,-0.2 5,-0.3 0.863 101.1 53.4 -66.5 -35.7 -1.8 21.9 29.7 321 114 B L H S+ 0 0 1 -4,-2.2 5,-2.9 -5,-0.2 4,-1.4 0.906 112.0 54.9 -67.4 -39.1 5.3 -10.4 29.6 343 136 B K H <>S+ 0 0 13 -4,-2.6 5,-2.5 -5,-0.3 -2,-0.2 0.941 120.5 29.6 -58.2 -47.2 8.9 -11.0 28.5 344 137 B Q H <5S+ 0 0 108 -4,-2.0 -2,-0.2 3,-0.2 -1,-0.2 0.880 126.9 38.2 -83.7 -40.4 9.8 -12.8 31.7 345 138 B N H <5S+ 0 0 87 -4,-3.2 -3,-0.2 -5,-0.2 -2,-0.2 0.464 135.0 12.3 -92.6 -0.0 6.5 -14.5 32.8 346 139 B F T X5S+ 0 0 2 -4,-1.4 4,-1.5 -5,-0.3 -3,-0.2 0.563 124.8 43.6-137.7 -53.6 5.2 -15.5 29.4 347 140 B I H > S+ 0 0 42 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.898 111.5 47.1 -55.8 -42.5 8.8 -19.7 29.7 350 143 B L H X S+ 0 0 5 -4,-1.5 4,-2.4 2,-0.2 -2,-0.2 0.851 108.5 55.3 -69.1 -33.2 7.4 -20.5 26.3 351 144 B Q H X S+ 0 0 68 -4,-1.9 4,-3.0 2,-0.2 5,-0.2 0.900 111.6 44.0 -64.7 -41.3 10.8 -20.3 24.7 352 145 B N H X>S+ 0 0 91 -4,-2.2 4,-2.5 2,-0.2 5,-0.6 0.914 111.5 53.3 -69.0 -43.4 12.1 -22.8 27.1 353 146 B L H <>S+ 0 0 11 -4,-2.5 5,-2.9 -5,-0.2 6,-0.4 0.894 116.6 40.5 -57.5 -41.1 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