==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER NUCLEAR PROTEIN 16-AUG-02 1H2T . COMPND 2 MOLECULE: 80 KDA NUCLEAR CAP BINDING PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.MAZZA,A.SEGREF,I.W.MATTAJ,S.CUSACK . 848 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 36816.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 590 69.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 29 3.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 17 2.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 123 14.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 396 46.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 1.3 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 3 1 0 4 3 2 2 1 4 2 4 2 4 1 0 0 1 0 0 0 0 0 0 0 1 1 1 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 3 1 0 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 29 C D > 0 0 127 0, 0.0 4,-1.8 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -71.7 -11.4 65.1 84.0 2 30 C H H > + 0 0 125 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.958 360.0 42.9 -65.4 -53.9 -14.4 67.3 83.7 3 31 C L H > S+ 0 0 9 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.854 112.6 54.8 -61.6 -36.6 -12.7 70.4 82.2 4 32 C E H > S+ 0 0 29 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.895 108.1 48.9 -65.5 -38.9 -10.7 68.1 79.9 5 33 C S H X S+ 0 0 46 -4,-1.8 4,-1.7 2,-0.2 -2,-0.2 0.899 110.4 51.1 -67.1 -40.7 -13.8 66.6 78.5 6 34 C L H X S+ 0 0 54 -4,-2.1 4,-1.5 2,-0.2 3,-0.3 0.954 112.9 43.9 -61.2 -51.9 -15.4 70.0 78.0 7 35 C I H < S+ 0 0 1 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.881 116.1 47.9 -60.9 -41.6 -12.4 71.4 76.1 8 36 C C H < S+ 0 0 17 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.728 112.4 49.2 -72.8 -25.1 -12.0 68.2 74.0 9 37 C K H >< S+ 0 0 125 -4,-1.7 3,-2.2 -3,-0.3 -1,-0.2 0.714 79.4 110.5 -88.7 -23.1 -15.7 68.0 73.1 10 38 C V T 3< S+ 0 0 11 -4,-1.5 3,-0.1 1,-0.3 8,-0.1 -0.323 80.4 31.0 -56.7 125.5 -16.3 71.6 71.9 11 39 C G T 3 S+ 0 0 33 1,-0.3 -1,-0.3 6,-0.1 3,-0.1 0.311 100.3 103.9 107.3 -6.8 -16.8 71.5 68.2 12 40 C E S < S- 0 0 86 -3,-2.2 -1,-0.3 1,-0.2 -3,-0.1 -0.122 84.8 -31.2 -92.8-166.3 -18.5 68.1 68.1 13 41 C K S S+ 0 0 199 -3,-0.1 2,-0.3 2,-0.1 -1,-0.2 -0.233 76.6 156.6 -48.1 118.7 -22.1 66.9 67.7 14 42 C S - 0 0 61 -3,-0.1 4,-0.1 2,-0.1 7,-0.0 -0.990 53.3-139.8-154.8 143.3 -24.3 69.6 69.2 15 43 C A S S+ 0 0 116 -2,-0.3 2,-0.2 2,-0.1 -1,-0.1 0.671 94.7 65.6 -71.7 -16.5 -27.9 70.8 69.1 16 44 C C S S- 0 0 71 1,-0.1 -2,-0.1 -3,-0.0 2,-0.0 -0.616 95.9 -95.6-103.2 165.4 -26.3 74.3 69.4 17 45 C S > - 0 0 64 -2,-0.2 4,-2.4 1,-0.1 5,-0.1 -0.248 32.4-112.7 -74.0 166.6 -24.1 76.2 66.9 18 46 C L H > S+ 0 0 44 2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.935 117.8 49.9 -65.5 -49.1 -20.3 76.2 67.3 19 47 C E H > S+ 0 0 70 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.883 111.0 51.9 -57.7 -38.7 -20.1 79.9 68.1 20 48 C S H > S+ 0 0 59 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.962 112.6 43.4 -62.3 -53.1 -22.7 79.3 70.8 21 49 C N H X S+ 0 0 45 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.871 112.7 54.3 -61.2 -38.0 -20.8 76.4 72.3 22 50 C L H X S+ 0 0 0 -4,-3.1 4,-2.7 2,-0.2 3,-0.3 0.960 111.8 42.0 -61.2 -53.1 -17.5 78.3 72.1 23 51 C E H X S+ 0 0 45 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.875 113.5 55.6 -62.7 -35.3 -18.9 81.3 74.0 24 52 C G H X S+ 0 0 42 -4,-2.4 4,-1.3 -5,-0.2 -1,-0.2 0.840 111.4 43.1 -65.3 -33.4 -20.6 78.9 76.4 25 53 C L H X S+ 0 0 11 -4,-2.0 4,-2.6 -3,-0.3 5,-0.3 0.852 107.3 58.6 -80.1 -37.9 -17.2 77.2 77.1 26 54 C A H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.915 107.4 49.9 -57.3 -40.1 -15.3 80.5 77.4 27 55 C G H X S+ 0 0 21 -4,-1.8 4,-1.9 1,-0.2 -1,-0.2 0.939 110.2 48.1 -63.3 -48.1 -17.7 81.4 80.2 28 56 C V H X S+ 0 0 63 -4,-1.3 4,-1.0 1,-0.2 -2,-0.2 0.862 113.5 47.5 -61.2 -39.8 -17.3 78.1 82.0 29 57 C L H X S+ 0 0 0 -4,-2.6 4,-0.6 2,-0.2 3,-0.4 0.899 108.0 54.7 -70.2 -40.8 -13.5 78.3 81.8 30 58 C E H >< S+ 0 0 69 -4,-2.3 3,-1.1 -5,-0.3 -2,-0.2 0.916 107.2 52.1 -57.9 -43.0 -13.3 81.9 83.0 31 59 C A H 3< S+ 0 0 69 -4,-1.9 4,-0.2 1,-0.3 -1,-0.2 0.793 111.1 46.6 -63.9 -31.0 -15.3 80.9 86.1 32 60 C D H 3X S+ 0 0 46 -4,-1.0 4,-2.5 -3,-0.4 -1,-0.3 0.414 85.4 95.0 -94.0 3.4 -12.9 78.1 86.9 33 61 C L H S+ 0 0 101 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.911 111.7 44.8 -60.1 -46.1 -3.0 75.9 86.0 39 67 C K H > S+ 0 0 64 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.860 113.5 51.2 -67.7 -35.6 -5.1 72.9 84.7 40 68 C I H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.901 109.4 49.8 -69.5 -39.3 -6.8 75.1 82.1 41 69 C L H X S+ 0 0 21 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.903 113.0 47.0 -64.7 -42.3 -3.5 76.4 80.8 42 70 C R H X S+ 0 0 125 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.937 111.8 49.6 -64.8 -48.5 -2.1 72.9 80.5 43 71 C L H X S+ 0 0 2 -4,-2.4 4,-2.3 1,-0.2 5,-0.2 0.897 112.0 48.4 -59.5 -41.8 -5.1 71.5 78.8 44 72 C L H X S+ 0 0 2 -4,-2.2 4,-1.7 2,-0.2 -1,-0.2 0.907 111.4 48.9 -66.7 -41.4 -5.2 74.4 76.2 45 73 C C H X S+ 0 0 15 -4,-2.1 4,-1.3 1,-0.2 -1,-0.2 0.856 111.1 54.3 -64.6 -33.1 -1.5 74.0 75.4 46 74 C T H X S+ 0 0 12 -4,-2.1 4,-2.8 2,-0.2 3,-0.4 0.936 107.6 44.9 -68.4 -49.1 -2.1 70.3 75.0 47 75 C V H X S+ 0 0 2 -4,-2.3 4,-2.2 1,-0.2 7,-0.2 0.848 109.8 58.6 -65.6 -27.5 -5.0 70.6 72.4 48 76 C A H < S+ 0 0 3 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.875 115.6 35.3 -65.5 -35.1 -2.9 73.1 70.6 49 77 C R H < S+ 0 0 42 -4,-1.3 -2,-0.2 -3,-0.4 -1,-0.2 0.805 129.7 30.2 -87.5 -33.8 -0.1 70.5 70.3 50 78 C L H < S+ 0 0 20 -4,-2.8 -3,-0.2 1,-0.2 -2,-0.2 0.584 116.5 50.7-106.8 -12.9 -2.2 67.3 69.8 51 79 C L >< + 0 0 14 -4,-2.2 3,-2.1 -5,-0.3 7,-0.2 -0.395 56.3 149.0-122.0 55.6 -5.4 68.4 68.1 52 80 C P G > + 0 0 12 0, 0.0 3,-2.1 0, 0.0 4,-0.2 0.807 66.8 70.6 -58.6 -28.3 -4.1 70.5 65.1 53 81 C E G 3 S+ 0 0 32 1,-0.3 3,-0.1 -3,-0.2 236,-0.1 0.639 103.6 44.2 -63.6 -11.6 -7.1 69.4 63.0 54 82 C K G X> S+ 0 0 31 -3,-2.1 4,-1.8 -7,-0.2 3,-0.9 0.089 77.0 130.4-119.2 20.6 -9.2 71.7 65.3 55 83 C L H <> S+ 0 0 13 -3,-2.1 4,-2.1 1,-0.3 5,-0.2 0.811 72.1 44.7 -40.1 -54.4 -6.7 74.6 65.3 56 84 C T H 3> S+ 0 0 14 1,-0.2 4,-1.4 2,-0.2 -1,-0.3 0.769 109.0 58.3 -70.3 -25.6 -9.2 77.4 64.5 57 85 C I H <> S+ 0 0 25 -3,-0.9 4,-1.6 2,-0.2 -2,-0.2 0.937 113.9 36.7 -68.5 -44.9 -11.7 76.1 67.0 58 86 C Y H X S+ 0 0 1 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.784 111.6 57.5 -80.0 -28.2 -9.2 76.4 69.9 59 87 C T H X S+ 0 0 0 -4,-2.1 4,-2.2 -5,-0.2 -1,-0.2 0.899 108.4 49.7 -68.4 -35.9 -7.5 79.6 68.8 60 88 C T H X S+ 0 0 0 -4,-1.4 4,-2.5 2,-0.2 5,-0.2 0.943 108.0 52.6 -64.9 -46.2 -10.9 81.2 68.9 61 89 C L H X S+ 0 0 0 -4,-1.6 4,-2.0 1,-0.2 -2,-0.2 0.898 110.3 48.3 -55.3 -43.1 -11.5 79.8 72.4 62 90 C V H X S+ 0 0 1 -4,-2.1 4,-2.8 1,-0.2 -1,-0.2 0.902 109.5 53.6 -65.1 -40.6 -8.2 81.3 73.5 63 91 C G H X S+ 0 0 0 -4,-2.2 4,-1.6 1,-0.2 -2,-0.2 0.915 109.3 47.5 -59.8 -44.3 -9.2 84.6 71.9 64 92 C L H X S+ 0 0 1 -4,-2.5 4,-1.5 2,-0.2 -1,-0.2 0.863 114.2 46.5 -65.4 -38.2 -12.5 84.7 73.8 65 93 C L H X S+ 0 0 3 -4,-2.0 4,-2.5 -5,-0.2 8,-0.2 0.876 110.9 53.4 -71.0 -37.4 -10.8 83.9 77.1 66 94 C N H < S+ 0 0 2 -4,-2.8 170,-0.2 1,-0.2 -2,-0.2 0.819 106.2 53.2 -65.1 -33.7 -8.1 86.5 76.4 67 95 C A H < S+ 0 0 35 -4,-1.6 3,-0.3 -5,-0.2 -1,-0.2 0.879 114.9 40.2 -68.7 -40.4 -10.8 89.1 75.8 68 96 C R H < S+ 0 0 93 -4,-1.5 2,-0.3 1,-0.3 -2,-0.2 0.797 133.1 22.8 -78.4 -29.9 -12.4 88.3 79.2 69 97 C N X - 0 0 52 -4,-2.5 4,-1.9 -5,-0.1 -1,-0.3 -0.725 58.5-177.7-145.3 92.5 -9.0 88.0 80.9 70 98 C Y H > S+ 0 0 99 -3,-0.3 4,-1.6 -2,-0.3 5,-0.1 0.786 87.6 56.6 -55.5 -34.7 -5.9 89.7 79.4 71 99 C N H > S+ 0 0 120 2,-0.2 4,-2.0 1,-0.2 3,-0.4 0.954 105.6 48.6 -65.4 -51.3 -3.7 88.2 82.1 72 100 C F H > S+ 0 0 2 1,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.889 108.6 56.5 -56.3 -38.7 -4.7 84.7 81.4 73 101 C G H X S+ 0 0 0 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.878 106.7 48.5 -60.9 -39.0 -4.0 85.4 77.7 74 102 C G H X S+ 0 0 26 -4,-1.6 4,-2.0 -3,-0.4 -1,-0.2 0.851 111.2 49.5 -70.8 -35.0 -0.5 86.4 78.4 75 103 C E H X S+ 0 0 69 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.924 109.8 51.9 -69.2 -42.8 0.2 83.4 80.6 76 104 C F H X S+ 0 0 0 -4,-2.7 4,-1.9 1,-0.2 -2,-0.2 0.938 111.7 46.3 -57.6 -49.0 -1.2 81.1 77.8 77 105 C V H X S+ 0 0 7 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.902 111.8 50.2 -61.4 -43.7 1.1 82.6 75.2 78 106 C E H X S+ 0 0 113 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.933 110.4 51.4 -60.5 -44.7 4.1 82.5 77.5 79 107 C A H X S+ 0 0 17 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.853 107.3 53.7 -60.0 -36.9 3.3 78.8 78.1 80 108 C M H X S+ 0 0 0 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.914 106.8 49.9 -65.6 -45.9 3.1 78.2 74.4 81 109 C I H X S+ 0 0 18 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.918 110.8 50.8 -60.0 -44.0 6.5 79.6 73.6 82 110 C R H X S+ 0 0 125 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.920 109.5 49.5 -60.5 -45.0 8.0 77.5 76.4 83 111 C Q H X S+ 0 0 64 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.874 107.9 56.4 -62.2 -35.3 6.4 74.3 75.1 84 112 C L H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 5,-0.2 0.936 107.2 46.3 -62.5 -48.2 7.8 75.2 71.6 85 113 C K H X S+ 0 0 84 -4,-2.0 4,-2.8 1,-0.2 -1,-0.2 0.911 113.7 49.5 -61.4 -42.9 11.4 75.4 72.8 86 114 C E H X S+ 0 0 103 -4,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.870 110.2 51.2 -64.5 -35.4 11.0 72.1 74.7 87 115 C S H <>S+ 0 0 2 -4,-2.3 5,-3.2 2,-0.2 -2,-0.2 0.924 113.3 43.8 -67.4 -43.6 9.5 70.5 71.6 88 116 C L H ><5S+ 0 0 2 -4,-2.5 3,-2.0 3,-0.2 -2,-0.2 0.913 111.4 54.7 -65.5 -43.7 12.3 71.6 69.4 89 117 C K H 3<5S+ 0 0 155 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.855 108.8 48.9 -58.7 -35.6 14.9 70.6 72.1 90 118 C A T 3<5S- 0 0 54 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.271 118.2-112.9 -88.9 11.4 13.3 67.1 72.2 91 119 C N T < 5S+ 0 0 52 -3,-2.0 2,-0.8 1,-0.2 3,-0.3 0.779 73.4 139.4 62.8 26.3 13.5 66.8 68.3 92 120 C N >< + 0 0 72 -5,-3.2 4,-2.0 1,-0.2 3,-0.4 -0.414 10.6 148.4 -96.8 58.0 9.7 66.9 68.2 93 121 C Y H > + 0 0 7 -2,-0.8 4,-1.8 160,-0.3 -1,-0.2 0.819 64.8 63.5 -61.0 -31.2 9.7 69.1 65.1 94 122 C N H > S+ 0 0 98 -3,-0.3 4,-0.8 1,-0.2 -1,-0.2 0.934 110.7 36.3 -61.8 -44.8 6.5 67.5 63.9 95 123 C E H > S+ 0 0 43 -3,-0.4 4,-1.5 1,-0.2 -1,-0.2 0.780 108.6 67.0 -76.2 -27.3 4.6 68.7 66.9 96 124 C A H X S+ 0 0 0 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.881 95.5 57.3 -58.9 -38.6 6.5 72.0 66.9 97 125 C V H X S+ 0 0 4 -4,-1.8 4,-2.4 1,-0.2 -1,-0.2 0.904 102.1 53.0 -61.3 -42.9 4.9 72.9 63.6 98 126 C Y H X S+ 0 0 24 -4,-0.8 4,-1.8 1,-0.2 -1,-0.2 0.881 109.5 50.1 -62.2 -34.7 1.4 72.6 65.1 99 127 C L H X S+ 0 0 0 -4,-1.5 4,-2.3 2,-0.2 -1,-0.2 0.919 108.9 50.9 -68.5 -43.5 2.4 75.0 67.9 100 128 C V H X S+ 0 0 0 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.905 112.2 47.6 -59.9 -40.3 3.8 77.5 65.4 101 129 C R H X S+ 0 0 7 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.845 109.3 53.7 -68.6 -34.3 0.6 77.4 63.5 102 130 C F H X S+ 0 0 2 -4,-1.8 4,-1.2 -5,-0.2 -2,-0.2 0.897 109.8 47.2 -67.0 -39.6 -1.4 77.8 66.7 103 131 C L H X S+ 0 0 0 -4,-2.3 4,-0.5 2,-0.2 -2,-0.2 0.872 111.7 52.6 -67.4 -38.1 0.6 80.9 67.5 104 132 C S H >X S+ 0 0 0 -4,-1.9 3,-1.6 1,-0.2 4,-0.6 0.948 108.8 46.5 -63.1 -51.9 0.1 82.3 64.0 105 133 C D H >X S+ 0 0 0 -4,-2.4 4,-0.9 1,-0.3 3,-0.5 0.779 99.2 71.7 -64.3 -24.4 -3.7 81.9 63.9 106 134 C L H 3<>S+ 0 0 0 -4,-1.2 5,-2.3 1,-0.2 6,-0.8 0.761 88.2 64.2 -61.5 -24.8 -3.8 83.5 67.4 107 135 C V H X<5S+ 0 0 3 -3,-1.6 3,-2.1 -4,-0.5 -1,-0.2 0.931 99.0 51.6 -62.8 -45.1 -2.9 86.7 65.6 108 136 C N H <<5S+ 0 0 28 -4,-0.6 -1,-0.2 -3,-0.5 -2,-0.2 0.775 106.8 55.2 -61.9 -25.8 -6.3 86.5 63.7 109 137 C C T 3<5S- 0 0 0 -4,-0.9 -1,-0.3 3,-0.0 -2,-0.2 0.322 116.1-118.0 -89.7 6.8 -7.9 86.1 67.2 110 138 C H T < 5S+ 0 0 46 -3,-2.1 -3,-0.2 2,-0.2 -2,-0.1 0.871 87.0 111.9 56.5 41.8 -6.2 89.3 68.3 111 139 C V S > - 0 0 10 125,-2.7 4,-1.3 -2,-0.4 3,-1.0 -0.505 20.6-131.0 -71.5 131.9 0.5 91.1 67.7 114 142 C A H 3> S+ 0 0 4 1,-0.3 4,-2.2 -2,-0.2 5,-0.2 0.863 106.2 57.9 -49.4 -45.4 1.2 90.7 64.0 115 143 C P H 3> S+ 0 0 61 0, 0.0 4,-2.4 0, 0.0 -1,-0.3 0.855 101.1 57.7 -55.8 -37.1 4.6 92.3 64.3 116 144 C S H <> S+ 0 0 11 -3,-1.0 4,-2.1 1,-0.2 -2,-0.2 0.935 108.9 43.7 -59.2 -49.2 5.6 89.6 66.9 117 145 C M H X S+ 0 0 0 -4,-1.3 4,-2.8 2,-0.2 -1,-0.2 0.870 112.0 53.2 -64.9 -38.9 4.9 86.8 64.5 118 146 C V H X S+ 0 0 3 -4,-2.2 4,-1.6 1,-0.2 -1,-0.2 0.905 109.5 49.9 -63.3 -39.7 6.6 88.5 61.7 119 147 C A H X S+ 0 0 38 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4,-3.0 2,-0.2 5,-0.5 0.936 113.8 55.7 -80.6 -52.7 15.2 16.7 54.6 511 549 C Q H < S+ 0 0 3 -4,-2.9 4,-0.5 -5,-0.3 -3,-0.2 0.717 119.6 36.6 -52.9 -22.7 13.5 15.2 51.4 512 550 C T H X S+ 0 0 0 -4,-0.7 4,-1.9 -5,-0.2 -1,-0.2 0.808 114.7 50.5 -99.7 -40.7 12.1 12.6 53.7 513 551 C L H < S+ 0 0 9 -4,-1.7 -2,-0.2 -5,-0.2 -3,-0.2 0.860 116.2 43.9 -67.9 -33.9 11.3 14.5 56.9 514 552 C L T >< S+ 0 0 7 -4,-3.0 3,-1.6 1,-0.2 -1,-0.2 0.909 110.7 52.9 -76.5 -43.7 9.5 17.2 55.0 515 553 C H G >4 S+ 0 0 73 -5,-0.5 3,-1.4 -4,-0.5 -2,-0.2 0.893 105.1 54.8 -59.5 -41.7 7.5 14.8 52.7 516 554 C L G 3< S+ 0 0 57 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.1 0.208 115.8 40.5 -78.9 18.3 6.2 12.8 55.7 517 555 C A G < S+ 0 0 6 -3,-1.6 3,-0.4 2,-0.1 -1,-0.3 0.167 71.5 122.2-146.9 13.2 4.8 16.1 57.1 518 556 C A < + 0 0 38 -3,-1.4 -63,-0.1 1,-0.2 -3,-0.1 0.325 57.6 87.7 -64.5 10.4 3.5 17.8 54.0 519 557 C K S S- 0 0 167 1,-0.2 2,-0.2 2,-0.0 -1,-0.2 0.992 97.9 -17.1 -74.6 -70.8 0.2 17.9 55.8 520 558 C S > - 0 0 22 -3,-0.4 4,-1.2 1,-0.1 -1,-0.2 -0.805 62.9-102.8-133.1 174.5 0.2 21.1 57.8 521 559 C F H > S+ 0 0 0 -2,-0.2 4,-2.9 1,-0.2 3,-0.5 0.906 122.0 52.4 -64.3 -42.3 2.5 23.8 59.1 522 560 C S H > S+ 0 0 42 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.802 103.6 59.1 -64.0 -28.4 2.4 22.3 62.6 523 561 C H H 4 S+ 0 0 77 2,-0.2 4,-0.5 1,-0.2 -1,-0.2 0.839 111.7 40.1 -68.1 -33.7 3.3 18.9 61.1 524 562 C S H >X S+ 0 0 1 -4,-1.2 4,-2.5 -3,-0.5 3,-0.6 0.910 114.6 50.7 -80.7 -46.0 6.5 20.4 59.8 525 563 C F H 3X S+ 0 0 26 -4,-2.9 4,-2.0 1,-0.3 -2,-0.2 0.875 110.3 50.7 -59.5 -38.6 7.3 22.5 62.9 526 564 C S H 3X S+ 0 0 66 -4,-2.2 4,-1.1 -5,-0.2 -1,-0.3 0.729 110.3 51.0 -72.5 -21.5 6.8 19.5 65.1 527 565 C A H <> S+ 0 0 11 -3,-0.6 4,-2.4 -4,-0.5 -2,-0.2 0.897 109.8 47.4 -80.2 -44.7 9.1 17.5 62.9 528 566 C L H < S+ 0 0 8 -4,-2.5 7,-0.2 1,-0.2 -2,-0.2 0.891 114.5 47.7 -63.4 -40.1 11.9 20.1 63.0 529 567 C A H >< S+ 0 0 67 -4,-2.0 3,-0.8 -5,-0.2 -1,-0.2 0.855 112.0 50.7 -69.9 -34.9 11.6 20.4 66.8 530 568 C K H 3< S+ 0 0 99 -4,-1.1 3,-0.5 1,-0.2 2,-0.4 0.987 121.0 30.7 -66.5 -60.5 11.6 16.6 67.2 531 569 C F T 3X S+ 0 0 9 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 -0.233 83.2 125.6 -93.6 44.6 14.7 15.9 65.1 532 570 C H H <> + 0 0 52 -3,-0.8 4,-2.4 -2,-0.4 -1,-0.2 0.846 69.4 56.2 -69.6 -36.0 16.3 19.3 66.0 533 571 C E H > S+ 0 0 95 -3,-0.5 4,-1.6 1,-0.2 -1,-0.2 0.869 107.2 50.3 -64.2 -36.5 19.4 17.6 67.3 534 572 C V H > S+ 0 0 0 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.906 109.2 50.6 -68.5 -42.8 19.8 15.9 63.9 535 573 C F H X S+ 0 0 6 -4,-1.7 4,-2.8 -7,-0.2 -2,-0.2 0.959 108.2 51.2 -59.7 -53.0 19.4 19.2 62.1 536 574 C K H < S+ 0 0 81 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.893 113.6 46.4 -51.2 -44.2 22.0 21.1 64.1 537 575 C T H >< S+ 0 0 75 -4,-1.6 3,-1.3 1,-0.2 4,-0.3 0.968 116.2 42.3 -64.4 -55.1 24.5 18.2 63.5 538 576 C L H 3< S+ 0 0 24 -4,-2.7 3,-0.2 1,-0.3 -36,-0.2 0.760 122.4 41.2 -64.2 -26.8 23.9 18.0 59.8 539 577 C A T 3< S+ 0 0 1 -4,-2.8 -1,-0.3 -5,-0.2 6,-0.2 -0.006 74.6 113.2-112.7 29.6 23.8 21.7 59.3 540 578 C E S < S+ 0 0 148 -3,-1.3 -1,-0.2 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2,-0.2 -2,-0.2 0.835 114.9 41.9 -66.4 -35.6 18.3 24.4 48.8 551 589 C V H X S+ 0 0 0 -4,-2.7 4,-1.2 2,-0.2 3,-0.4 0.957 111.4 53.9 -75.3 -53.4 16.7 21.0 49.4 552 590 C M H X S+ 0 0 3 -4,-2.2 4,-1.5 -5,-0.3 3,-0.3 0.839 110.0 50.9 -48.6 -35.7 13.8 22.4 51.4 553 591 C F H X S+ 0 0 1 -4,-1.8 4,-0.6 1,-0.2 -1,-0.3 0.895 105.4 52.6 -70.8 -42.8 13.2 24.7 48.3 554 592 C E H < S+ 0 0 70 -4,-1.3 -1,-0.2 -3,-0.4 -2,-0.2 0.622 113.5 47.8 -68.5 -11.7 13.2 21.8 45.8 555 593 C V H < S+ 0 0 0 -4,-1.2 -99,-1.7 -3,-0.3 -1,-0.2 0.750 126.4 23.3 -97.0 -31.4 10.6 20.2 48.0 556 594 C W H >< S+ 0 0 6 -4,-1.5 3,-1.3 -5,-0.2 7,-0.4 -0.089 76.3 123.9-128.5 36.1 8.3 23.2 48.5 557 595 C R T 3< S+ 0 0 83 -4,-0.6 -1,-0.1 1,-0.3 -3,-0.1 0.554 79.3 52.2 -74.6 -6.6 9.0 25.4 45.5 558 596 C N T 3 S+ 0 0 51 -104,-0.3 -1,-0.3 1,-0.2 3,-0.1 0.368 104.1 59.9-105.6 1.5 5.3 25.3 44.6 559 597 C H X> + 0 0 27 -3,-1.3 4,-1.7 -106,-0.1 3,-1.2 -0.617 61.7 174.0-130.0 69.6 4.2 26.3 48.1 560 598 C P H 3> S+ 0 0 13 0, 0.0 4,-1.7 0, 0.0 -1,-0.1 0.729 79.0 56.1 -48.3 -30.7 5.8 29.8 48.6 561 599 C Q H 3> S+ 0 0 14 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.840 105.0 51.3 -74.2 -36.2 4.0 30.2 52.0 562 600 C M H <> S+ 0 0 2 -3,-1.2 4,-2.3 2,-0.2 5,-0.2 0.908 107.3 53.9 -67.0 -40.9 5.4 27.0 53.3 563 601 C I H X S+ 0 0 0 -4,-1.7 4,-2.9 -7,-0.4 5,-0.2 0.953 108.8 49.7 -57.3 -48.6 8.9 28.1 52.4 564 602 C A H X S+ 0 0 29 -4,-1.7 4,-2.4 1,-0.2 -2,-0.2 0.936 113.2 43.7 -55.0 -54.6 8.5 31.3 54.3 565 603 C V H X S+ 0 0 19 -4,-2.1 4,-1.6 1,-0.2 -1,-0.2 0.815 114.6 51.0 -64.4 -31.3 7.2 29.7 57.5 566 604 C L H X S+ 0 0 2 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.939 110.7 47.7 -72.0 -45.6 9.9 27.0 57.3 567 605 C V H X S+ 0 0 1 -4,-2.9 4,-2.0 -5,-0.2 -2,-0.2 0.916 112.1 50.1 -60.4 -43.5 12.7 29.5 56.9 568 606 C D H X S+ 0 0 21 -4,-2.4 4,-2.1 -5,-0.2 -1,-0.2 0.884 111.8 48.3 -63.5 -38.0 11.4 31.6 59.8 569 607 C K H X S+ 0 0 30 -4,-1.6 4,-1.7 2,-0.2 6,-0.3 0.927 109.1 51.6 -69.6 -44.6 11.2 28.5 62.0 570 608 C M H <>S+ 0 0 5 -4,-2.6 5,-3.3 1,-0.2 6,-1.0 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