==== 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 1H2V . 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 . 812 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35843.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 579 71.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 28 3.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 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 2.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 113 13.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 400 49.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 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 2 1 0 4 2 1 2 0 4 3 5 3 2 1 1 0 1 0 0 0 0 0 0 1 1 0 1 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 2 1 0 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 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 29 C D > 0 0 155 0, 0.0 4,-0.9 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -22.6 85.6 26.0 44.6 2 30 C H H > + 0 0 131 2,-0.2 4,-1.8 1,-0.1 3,-0.2 0.913 360.0 47.8 -75.1 -44.5 88.5 28.2 45.6 3 31 C L H > S+ 0 0 14 1,-0.2 4,-3.1 2,-0.2 5,-0.3 0.917 106.5 58.1 -62.6 -44.0 90.3 25.6 47.7 4 32 C E H > S+ 0 0 79 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.849 107.4 48.7 -54.9 -35.1 89.9 23.0 44.9 5 33 C S H X S+ 0 0 42 -4,-0.9 4,-1.8 -3,-0.2 -1,-0.2 0.889 112.1 47.1 -73.3 -40.0 91.8 25.4 42.7 6 34 C L H < S+ 0 0 59 -4,-1.8 4,-0.3 2,-0.2 -2,-0.2 0.883 117.4 43.4 -68.5 -38.9 94.6 26.0 45.2 7 35 C I H >< S+ 0 0 0 -4,-3.1 3,-0.9 2,-0.2 -2,-0.2 0.940 115.8 45.6 -72.2 -49.3 95.0 22.3 45.9 8 36 C C H 3< S+ 0 0 50 -4,-2.4 -2,-0.2 -5,-0.3 -3,-0.2 0.845 118.4 42.8 -63.2 -36.4 94.8 21.1 42.3 9 37 C K T >< S+ 0 0 122 -4,-1.8 3,-1.5 -5,-0.2 -1,-0.2 0.373 83.3 120.3 -94.3 4.2 97.2 23.7 41.0 10 38 C V T < S+ 0 0 11 -3,-0.9 3,-0.1 -4,-0.3 47,-0.1 -0.501 74.7 26.9 -71.2 135.5 99.8 23.6 43.8 11 39 C G T 3 S+ 0 0 29 -2,-0.2 -1,-0.2 1,-0.2 3,-0.1 0.332 96.0 113.8 97.5 -7.6 103.2 22.6 42.5 12 40 C E S < S- 0 0 113 -3,-1.5 -1,-0.2 1,-0.2 2,-0.1 0.201 79.6 -36.2 -77.1-156.6 102.7 24.0 39.0 13 41 C K S S+ 0 0 200 -3,-0.1 2,-0.3 2,-0.0 -1,-0.2 -0.407 77.3 137.2 -68.2 140.5 104.6 27.0 37.5 14 42 C S - 0 0 78 -3,-0.1 4,-0.1 -2,-0.1 7,-0.0 -0.976 59.2-121.5-172.7 166.0 105.4 29.9 39.8 15 43 C A S S+ 0 0 107 -2,-0.3 2,-0.2 2,-0.1 -1,-0.1 0.809 93.9 75.6 -86.6 -34.7 108.0 32.4 40.9 16 44 C C S S- 0 0 71 1,-0.1 5,-0.1 -3,-0.1 -2,-0.0 -0.523 93.1-105.0 -79.4 145.0 108.0 31.1 44.5 17 45 C S > - 0 0 67 -2,-0.2 4,-1.8 1,-0.1 5,-0.1 -0.158 28.6-111.5 -63.1 162.6 109.7 27.9 45.4 18 46 C L H > S+ 0 0 43 1,-0.2 4,-3.3 2,-0.2 3,-0.3 0.948 118.5 55.7 -61.2 -50.6 107.7 24.7 46.0 19 47 C E H > S+ 0 0 79 1,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.829 109.6 48.9 -50.9 -34.8 108.6 24.7 49.7 20 48 C S H > S+ 0 0 63 2,-0.2 4,-1.6 1,-0.2 -1,-0.3 0.870 112.2 46.5 -74.2 -38.9 107.3 28.2 49.9 21 49 C N H X S+ 0 0 42 -4,-1.8 4,-2.9 -3,-0.3 -2,-0.2 0.870 113.4 49.4 -71.2 -38.1 104.0 27.3 48.1 22 50 C L H X S+ 0 0 0 -4,-3.3 4,-2.7 2,-0.2 -2,-0.2 0.963 111.7 46.3 -65.1 -53.8 103.5 24.3 50.3 23 51 C E H X S+ 0 0 55 -4,-1.9 4,-1.6 -5,-0.3 -1,-0.2 0.884 115.8 49.2 -56.5 -39.0 104.1 26.0 53.6 24 52 C G H X S+ 0 0 38 -4,-1.6 4,-1.8 2,-0.2 -2,-0.2 0.956 110.7 46.7 -66.1 -51.9 101.8 28.8 52.3 25 53 C L H X S+ 0 0 15 -4,-2.9 4,-2.4 1,-0.2 5,-0.2 0.857 106.7 61.5 -59.0 -35.6 99.0 26.5 51.2 26 54 C A H X S+ 0 0 0 -4,-2.7 4,-1.8 1,-0.2 -1,-0.2 0.943 105.7 44.6 -56.4 -50.5 99.3 24.7 54.5 27 55 C G H X S+ 0 0 22 -4,-1.6 4,-2.2 1,-0.2 -1,-0.2 0.877 111.6 54.6 -62.3 -37.2 98.4 27.8 56.5 28 56 C V H X S+ 0 0 58 -4,-1.8 4,-0.9 1,-0.2 -1,-0.2 0.880 109.4 46.3 -64.4 -39.5 95.6 28.5 54.1 29 57 C L H < S+ 0 0 0 -4,-2.4 -1,-0.2 2,-0.2 -2,-0.2 0.809 111.2 52.2 -74.4 -30.6 94.0 25.1 54.6 30 58 C E H >< S+ 0 0 58 -4,-1.8 3,-2.4 -5,-0.2 -2,-0.2 0.958 106.3 52.0 -69.5 -50.3 94.2 25.2 58.3 31 59 C A H 3< S+ 0 0 76 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.809 112.9 47.6 -55.1 -30.6 92.5 28.6 58.7 32 60 C D T 3X S+ 0 0 51 -4,-0.9 4,-2.6 -5,-0.2 3,-0.4 0.348 86.5 93.3 -93.9 6.0 89.7 27.2 56.5 33 61 C L H <> S+ 0 0 11 -3,-2.4 4,-1.4 1,-0.2 5,-0.2 0.919 76.2 59.4 -64.7 -46.3 89.4 24.0 58.6 34 62 C P H 4 S+ 0 0 106 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.770 122.9 24.2 -55.3 -26.5 86.7 25.2 61.0 35 63 C N H 4 S+ 0 0 125 -3,-0.4 -2,-0.2 -4,-0.1 3,-0.1 0.658 136.3 28.7-111.8 -23.5 84.4 25.9 58.0 36 64 C Y H X S+ 0 0 105 -4,-2.6 4,-3.0 -7,-0.2 5,-0.2 -0.050 72.6 122.4-131.2 34.8 85.7 23.5 55.3 37 65 C K H X S+ 0 0 89 -4,-1.4 4,-1.9 1,-0.2 5,-0.1 0.906 81.9 48.2 -62.6 -41.3 87.2 20.6 57.1 38 66 C S H > S+ 0 0 95 2,-0.2 4,-1.1 -5,-0.2 -1,-0.2 0.848 114.6 45.3 -67.9 -35.5 84.9 18.2 55.3 39 67 C K H >> S+ 0 0 38 2,-0.2 4,-2.6 1,-0.2 3,-0.5 0.955 111.3 51.2 -72.3 -52.0 85.7 19.7 51.9 40 68 C I H 3X S+ 0 0 0 -4,-3.0 4,-2.2 1,-0.3 -2,-0.2 0.865 109.6 51.5 -53.1 -39.6 89.4 19.9 52.4 41 69 C L H 3X S+ 0 0 19 -4,-1.9 4,-1.4 -5,-0.2 -1,-0.3 0.843 110.0 49.7 -67.1 -33.8 89.4 16.2 53.4 42 70 C R H < + 0 0 36 -4,-1.8 3,-2.3 -5,-0.3 -1,-0.2 -0.400 58.5 152.7-120.7 57.1 97.2 12.8 40.8 52 80 C P G > + 0 0 11 0, 0.0 3,-1.6 0, 0.0 4,-0.2 0.736 69.5 68.8 -57.6 -22.7 99.7 10.0 41.7 53 81 C E G 3 S+ 0 0 35 1,-0.3 3,-0.1 -3,-0.2 240,-0.1 0.688 102.1 46.7 -69.8 -16.8 102.4 11.8 39.7 54 82 C K G X> S+ 0 0 33 -3,-2.3 4,-1.9 -7,-0.2 3,-1.3 0.107 77.6 129.8-109.0 20.4 102.3 14.5 42.4 55 83 C L H <> S+ 0 0 11 -3,-1.6 4,-2.2 1,-0.3 3,-0.5 0.874 72.2 42.5 -37.9 -66.9 102.5 11.9 45.2 56 84 C T H 3> S+ 0 0 16 1,-0.2 4,-0.7 2,-0.2 169,-0.3 0.659 109.9 58.7 -63.0 -17.8 105.3 13.5 47.2 57 85 C I H <> S+ 0 0 26 -3,-1.3 4,-1.3 2,-0.2 -1,-0.2 0.909 113.0 37.5 -77.3 -41.4 104.0 17.0 46.8 58 86 C Y H X S+ 0 0 0 -4,-1.9 4,-2.7 -3,-0.5 -2,-0.2 0.808 111.8 56.4 -79.7 -30.7 100.7 16.2 48.4 59 87 C T H X S+ 0 0 0 -4,-2.2 4,-1.5 -5,-0.3 -1,-0.2 0.808 108.4 51.0 -69.5 -26.7 102.0 13.9 51.1 60 88 C T H X S+ 0 0 0 -4,-0.7 4,-2.4 -5,-0.3 -2,-0.2 0.903 108.7 50.8 -73.0 -41.9 104.2 16.8 52.1 61 89 C L H X S+ 0 0 0 -4,-1.3 4,-2.1 1,-0.2 5,-0.2 0.949 109.7 49.1 -59.2 -51.2 101.2 19.1 52.2 62 90 C V H X S+ 0 0 3 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.874 110.9 52.2 -57.1 -37.8 99.3 16.6 54.4 63 91 C G H X S+ 0 0 0 -4,-1.5 4,-1.7 2,-0.2 -1,-0.2 0.904 109.2 47.6 -66.0 -41.9 102.4 16.5 56.7 64 92 C L H < S+ 0 0 2 -4,-2.4 4,-0.2 1,-0.2 -1,-0.2 0.806 114.9 47.0 -69.0 -29.0 102.6 20.2 57.0 65 93 C L H >X S+ 0 0 0 -4,-2.1 4,-1.2 -5,-0.2 3,-0.9 0.845 109.2 53.0 -80.2 -34.7 98.9 20.4 57.8 66 94 C N H 3< S+ 0 0 1 -4,-2.4 -2,-0.2 1,-0.3 7,-0.2 0.839 104.4 57.7 -67.1 -32.2 99.1 17.5 60.3 67 95 C A T 3< S+ 0 0 34 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.630 111.1 42.2 -72.5 -14.7 101.9 19.5 62.0 68 96 C R T <4 S+ 0 0 97 -3,-0.9 -1,-0.2 -4,-0.2 -2,-0.2 0.575 132.4 19.0-104.5 -16.9 99.5 22.3 62.5 69 97 C N >X - 0 0 55 -4,-1.2 4,-1.7 1,-0.1 3,-0.6 -0.593 60.6-174.6-158.1 87.6 96.5 20.2 63.5 70 98 C Y H 3> S+ 0 0 98 1,-0.2 4,-1.6 2,-0.2 -1,-0.1 0.854 87.6 55.5 -51.6 -43.2 97.2 16.6 64.7 71 99 C N H 3> S+ 0 0 118 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.871 104.1 53.6 -61.0 -38.9 93.5 15.8 64.9 72 100 C F H <> S+ 0 0 7 -3,-0.6 4,-2.6 1,-0.2 -1,-0.2 0.934 106.0 53.1 -61.6 -45.3 92.9 16.7 61.3 73 101 C G H X S+ 0 0 2 -4,-1.7 4,-2.5 1,-0.2 -1,-0.2 0.868 108.1 52.6 -57.0 -36.5 95.7 14.4 60.3 74 102 C G H X S+ 0 0 22 -4,-1.6 4,-1.9 2,-0.2 -1,-0.2 0.920 109.5 46.0 -66.3 -45.5 93.9 11.7 62.2 75 103 C E H X S+ 0 0 67 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.868 113.9 50.7 -65.7 -35.5 90.6 12.2 60.5 76 104 C F H X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.942 109.3 48.7 -66.9 -48.5 92.4 12.3 57.1 77 105 C V H X S+ 0 0 3 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.880 114.3 48.2 -58.2 -36.4 94.2 9.1 57.8 78 106 C E H X S+ 0 0 101 -4,-1.9 4,-1.3 2,-0.2 -1,-0.2 0.860 111.0 49.7 -71.9 -37.2 90.9 7.6 58.8 79 107 C A H X S+ 0 0 17 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.848 108.5 54.3 -70.6 -34.2 89.2 8.9 55.7 80 108 C M H X S+ 0 0 0 -4,-2.7 4,-3.0 2,-0.2 -2,-0.2 0.933 106.3 49.8 -64.6 -47.3 91.9 7.5 53.5 81 109 C I H X S+ 0 0 8 -4,-1.8 4,-1.9 1,-0.2 -1,-0.2 0.858 111.4 52.0 -59.8 -33.8 91.5 4.0 54.9 82 110 C R H X S+ 0 0 126 -4,-1.3 4,-2.2 2,-0.2 -2,-0.2 0.948 109.8 47.3 -66.6 -49.5 87.8 4.4 54.2 83 111 C Q H X S+ 0 0 55 -4,-2.6 4,-3.4 1,-0.2 5,-0.2 0.929 109.3 54.3 -57.8 -47.6 88.4 5.4 50.6 84 112 C L H X S+ 0 0 0 -4,-3.0 4,-2.3 1,-0.2 -1,-0.2 0.911 108.8 47.6 -54.4 -47.3 90.8 2.5 50.1 85 113 C K H X S+ 0 0 71 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.904 113.9 49.1 -61.1 -40.6 88.2 0.0 51.2 86 114 C E H X S+ 0 0 110 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.947 109.5 50.2 -63.1 -51.2 85.7 1.7 48.9 87 115 C S H <>S+ 0 0 3 -4,-3.4 5,-3.1 1,-0.2 -1,-0.2 0.903 111.4 49.0 -55.4 -43.3 88.0 1.7 45.9 88 116 C L H ><5S+ 0 0 3 -4,-2.3 3,-1.4 -5,-0.2 -1,-0.2 0.905 110.0 52.0 -64.0 -39.7 88.6 -2.0 46.5 89 117 C K H 3<5S+ 0 0 154 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.848 108.9 49.7 -64.2 -36.3 84.9 -2.7 46.8 90 118 C A T 3<5S- 0 0 57 -4,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 0.144 117.4-114.1 -89.2 18.8 84.2 -0.9 43.5 91 119 C N T < 5S+ 0 0 53 -3,-1.4 2,-1.2 1,-0.2 3,-0.3 0.756 71.0 143.0 54.3 26.8 87.0 -2.9 41.8 92 120 C N >< + 0 0 74 -5,-3.1 4,-1.8 -6,-0.2 -1,-0.2 -0.511 10.8 153.1 -93.8 65.0 89.0 0.2 41.3 93 121 C Y H > + 0 0 6 -2,-1.2 4,-1.8 160,-0.3 -1,-0.2 0.800 65.9 58.3 -64.2 -32.3 92.3 -1.6 42.0 94 122 C N H > S+ 0 0 97 -3,-0.3 4,-0.9 1,-0.2 -1,-0.2 0.937 111.0 40.8 -65.3 -45.5 94.3 0.8 39.9 95 123 C E H > S+ 0 0 47 1,-0.2 4,-1.5 2,-0.2 -2,-0.2 0.829 109.0 62.0 -70.9 -30.2 93.3 3.8 42.0 96 124 C A H X S+ 0 0 0 -4,-1.8 4,-2.3 1,-0.2 5,-0.2 0.904 98.0 57.4 -61.2 -41.1 93.6 1.7 45.2 97 125 C V H X S+ 0 0 5 -4,-1.8 4,-1.9 1,-0.2 -1,-0.2 0.872 104.0 52.3 -57.4 -39.7 97.3 1.3 44.5 98 126 C Y H X S+ 0 0 16 -4,-0.9 4,-1.7 2,-0.2 -1,-0.2 0.871 109.0 49.4 -66.7 -36.2 97.8 5.1 44.4 99 127 C L H X S+ 0 0 0 -4,-1.5 4,-2.4 2,-0.2 -2,-0.2 0.908 111.0 49.7 -67.9 -41.7 96.1 5.4 47.8 100 128 C V H X S+ 0 0 0 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.849 111.6 49.2 -63.5 -36.0 98.3 2.6 49.3 101 129 C R H X S+ 0 0 8 -4,-1.9 4,-2.5 -5,-0.2 -1,-0.2 0.827 109.7 52.2 -72.7 -33.0 101.4 4.4 47.8 102 130 C F H X S+ 0 0 2 -4,-1.7 4,-1.4 2,-0.2 -2,-0.2 0.907 109.9 47.1 -70.2 -42.4 100.2 7.7 49.4 103 131 C L H X S+ 0 0 0 -4,-2.4 4,-0.6 2,-0.2 -2,-0.2 0.907 112.2 52.8 -64.6 -41.3 99.8 6.1 52.8 104 132 C S H >X S+ 0 0 0 -4,-1.9 3,-1.7 1,-0.2 4,-0.6 0.956 109.4 46.0 -58.5 -53.4 103.2 4.6 52.4 105 133 C D H >X S+ 0 0 0 -4,-2.5 4,-0.9 1,-0.3 3,-0.8 0.762 100.4 69.6 -63.7 -23.8 104.9 7.9 51.5 106 134 C L H 3<>S+ 0 0 0 -4,-1.4 5,-2.7 1,-0.3 6,-0.9 0.754 88.5 65.7 -65.2 -22.2 103.1 9.5 54.5 107 135 C V H X<5S+ 0 0 1 -3,-1.7 3,-0.9 -4,-0.6 -1,-0.3 0.879 98.4 52.0 -65.1 -37.2 105.4 7.4 56.7 108 136 C N H <<5S+ 0 0 23 -3,-0.8 -1,-0.2 -4,-0.6 -2,-0.2 0.772 107.2 52.1 -69.0 -26.6 108.3 9.4 55.4 109 137 C C T 3<5S- 0 0 2 -4,-0.9 -1,-0.3 -3,-0.1 -2,-0.2 0.500 115.6-121.8 -84.9 -5.4 106.4 12.6 56.3 110 138 C H T < 5S+ 0 0 31 -3,-0.9 123,-0.2 -4,-0.3 -3,-0.2 0.842 82.5 118.5 65.3 35.9 106.0 11.0 59.8 111 139 C V S > - 0 0 4 125,-2.2 3,-1.5 -2,-0.4 4,-0.9 -0.511 22.2-125.3 -73.1 137.1 104.0 5.2 61.9 114 142 C A H >> S+ 0 0 1 1,-0.3 4,-2.4 -2,-0.2 3,-0.7 0.835 106.9 61.7 -49.9 -43.7 106.0 2.6 60.0 115 143 C P H 3> S+ 0 0 55 0, 0.0 4,-2.4 0, 0.0 -1,-0.3 0.825 98.1 59.8 -57.0 -29.9 104.6 -0.4 62.0 116 144 C S H <> S+ 0 0 16 -3,-1.5 4,-2.2 2,-0.2 -2,-0.2 0.891 109.8 41.2 -64.3 -39.9 101.1 0.5 60.7 117 145 C M H < S+ 0 0 0 -4,-2.1 3,-1.4 1,-0.2 4,-0.3 0.956 110.7 47.2 -57.3 -52.9 98.3 -7.8 51.9 125 153 C V H >< S+ 0 0 4 -4,-3.0 3,-1.4 1,-0.3 -1,-0.2 0.775 101.5 65.4 -62.3 -26.6 100.9 -10.6 51.6 126 154 C S H >X S+ 0 0 58 -4,-1.5 3,-3.1 1,-0.3 4,-0.5 0.765 82.9 76.5 -69.0 -21.1 98.6 -13.1 53.5 127 155 C V G X< S+ 0 0 0 -3,-1.4 3,-1.2 -4,-0.8 -1,-0.3 0.822 82.0 68.3 -57.0 -27.7 96.1 -12.8 50.6 128 156 C T G <4 S+ 0 0 4 -3,-1.4 -1,-0.3 -4,-0.3 -2,-0.2 0.553 96.9 55.7 -68.1 -4.5 98.6 -15.1 48.8 129 157 C Q G <4 S+ 0 0 114 -3,-3.1 -1,-0.3 2,-0.1 -2,-0.2 0.616 79.4 110.6-100.2 -19.9 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1,-0.1 4,-2.3 44,-0.0 3,-0.3 -0.672 26.2-101.9-111.1 166.6 65.4 0.8 -12.4 486 514 C N H > S+ 0 0 24 1,-0.2 4,-3.3 -2,-0.2 5,-0.2 0.914 122.6 54.7 -51.4 -47.8 65.7 -2.3 -10.2 487 515 C D H > S+ 0 0 112 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.900 107.4 50.5 -53.7 -44.1 62.8 -3.9 -12.0 488 516 C E H > S+ 0 0 90 -3,-0.3 4,-2.4 2,-0.2 3,-0.3 0.954 112.7 45.1 -59.3 -51.5 64.5 -3.4 -15.3 489 517 C I H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.891 109.5 56.8 -59.6 -40.8 67.7 -5.0 -14.0 490 518 C F H < S+ 0 0 54 -4,-3.3 4,-0.4 -5,-0.2 -1,-0.2 0.874 108.9 47.3 -58.1 -38.3 65.7 -7.8 -12.5 491 519 C S H >< S+ 0 0 70 -4,-1.9 3,-1.4 -3,-0.3 4,-0.3 0.938 110.9 49.6 -68.8 -48.5 64.3 -8.5 -15.9 492 520 C I H >< S+ 0 0 30 -4,-2.4 3,-1.7 1,-0.3 -2,-0.2 0.856 102.7 61.7 -59.3 -38.9 67.7 -8.5 -17.7 493 521 C L G >< S+ 0 0 3 -4,-2.4 3,-1.3 1,-0.3 -1,-0.3 0.644 87.5 74.4 -64.7 -14.6 69.2 -10.9 -15.1 494 522 C K G < S+ 0 0 151 -3,-1.4 -1,-0.3 -4,-0.4 -2,-0.2 0.749 83.2 67.0 -70.5 -22.6 66.6 -13.5 -16.2 495 523 C D G < S+ 0 0 113 -3,-1.7 -1,-0.3 -4,-0.3 -2,-0.2 0.490 77.9 113.3 -75.0 -2.7 68.6 -14.0 -19.4 496 524 C V < 0 0 11 -3,-1.3 7,-0.1 -4,-0.1 6,-0.1 -0.596 360.0 360.0 -77.4 123.8 71.4 -15.4 -17.2 497 525 C P 0 0 110 0, 0.0 5,-0.1 0, 0.0 -2,-0.1 -0.689 360.0 360.0 -82.2 360.0 72.1 -19.2 -17.7 498 ! 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 0.0 499 539 C F 0 0 126 0, 0.0 3,-0.1 0, 0.0 37,-0.1 0.000 360.0 360.0 360.0 105.6 70.9 -19.3 -6.1 500 540 C N > - 0 0 51 1,-0.1 4,-1.4 36,-0.1 3,-0.4 -0.884 360.0-165.3-106.8 101.9 72.3 -18.4 -9.5 501 541 C P H > S+ 0 0 64 0, 0.0 4,-1.5 0, 0.0 -1,-0.1 0.761 88.3 53.1 -57.5 -26.1 76.0 -17.8 -9.2 502 542 C L H > S+ 0 0 14 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.851 99.8 59.3 -79.7 -36.3 76.1 -16.1 -12.6 503 543 C K H > S+ 0 0 69 -3,-0.4 4,-1.8 1,-0.2 5,-0.2 0.935 109.9 45.2 -56.1 -45.6 73.4 -13.6 -11.9 504 544 C I H X S+ 0 0 2 -4,-1.4 4,-3.2 2,-0.2 5,-0.4 0.919 112.1 51.2 -64.6 -45.1 75.4 -12.3 -9.1 505 545 C E H X S+ 0 0 23 -4,-1.5 4,-2.6 1,-0.2 5,-0.3 0.930 112.7 43.1 -60.7 -49.1 78.7 -12.2 -11.0 506 546 C V H X S+ 0 0 0 -4,-2.6 4,-1.8 2,-0.2 5,-0.2 0.875 118.5 46.7 -65.6 -36.9 77.3 -10.3 -14.0 507 547 C F H X S+ 0 0 1 -4,-1.8 4,-2.5 -5,-0.3 5,-0.2 0.944 118.2 38.8 -70.0 -51.0 75.4 -7.9 -11.8 508 548 C V H X S+ 0 0 2 -4,-3.2 4,-2.5 2,-0.2 5,-0.4 0.947 116.9 51.0 -65.3 -49.9 78.3 -7.2 -9.3 509 549 C Q H X S+ 0 0 4 -4,-2.6 4,-1.9 -5,-0.4 -2,-0.2 0.935 117.3 39.2 -52.0 -53.4 81.0 -7.1 -12.0 510 550 C T H X S+ 0 0 0 -4,-1.8 4,-1.4 -5,-0.3 -2,-0.2 0.949 116.2 48.4 -65.9 -52.1 79.0 -4.7 -14.2 511 551 C L H X S+ 0 0 7 -4,-2.5 4,-1.0 -5,-0.2 -2,-0.2 0.896 115.9 43.2 -58.2 -43.8 77.6 -2.4 -11.4 512 552 C L H >< S+ 0 0 6 -4,-2.5 3,-0.5 -5,-0.2 4,-0.3 0.910 109.2 56.7 -70.0 -42.2 81.0 -2.0 -9.6 513 553 C H H 3< S+ 0 0 71 -4,-1.9 3,-0.4 -5,-0.4 -1,-0.2 0.788 108.5 49.1 -59.6 -28.0 83.0 -1.5 -12.8 514 554 C L H 3< S+ 0 0 61 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.746 114.8 42.0 -84.0 -25.4 80.7 1.4 -13.7 515 555 C A S X< S+ 0 0 8 -4,-1.0 3,-1.0 -3,-0.5 7,-0.5 0.151 78.7 116.4-105.2 16.9 80.9 3.2 -10.3 516 556 C A T 3 + 0 0 33 -3,-0.4 -1,-0.2 -4,-0.3 -61,-0.1 0.227 51.1 88.6 -71.4 16.2 84.7 2.5 -10.0 517 557 C K T 3 S- 0 0 173 1,-0.2 2,-0.3 -3,-0.1 -1,-0.2 0.892 100.0 -19.4 -81.8 -41.2 85.4 6.3 -10.1 518 558 C S <> - 0 0 21 -3,-1.0 4,-2.0 1,-0.1 -1,-0.2 -0.954 63.2 -97.6-157.5 173.9 85.1 6.9 -6.4 519 559 C F H > S+ 0 0 0 -2,-0.3 4,-2.9 1,-0.2 5,-0.2 0.889 120.8 56.1 -64.7 -38.9 83.9 5.7 -3.0 520 560 C S H > S+ 0 0 51 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.941 107.1 45.4 -59.2 -52.7 80.9 8.0 -3.4 521 561 C H H > S+ 0 0 75 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.922 114.9 48.5 -59.1 -45.4 79.7 6.5 -6.8 522 562 C S H X S+ 0 0 0 -4,-2.0 4,-2.0 -7,-0.5 -2,-0.2 0.942 113.0 47.9 -60.2 -48.4 80.2 3.0 -5.5 523 563 C F H X S+ 0 0 26 -4,-2.9 4,-1.4 1,-0.2 -2,-0.2 0.942 112.7 47.1 -57.6 -51.7 78.2 3.7 -2.3 524 564 C S H X S+ 0 0 55 -4,-2.9 4,-3.3 1,-0.2 -1,-0.2 0.869 109.9 55.1 -59.9 -35.8 75.4 5.5 -4.2 525 565 C A H X S+ 0 0 9 -4,-2.3 4,-2.0 -5,-0.3 -1,-0.2 0.886 105.6 51.4 -64.0 -39.1 75.3 2.5 -6.6 526 566 C L H < S+ 0 0 6 -4,-2.0 -1,-0.2 -3,-0.2 -2,-0.2 0.799 113.7 46.6 -66.7 -28.2 74.9 0.1 -3.6 527 567 C A H >< S+ 0 0 66 -4,-1.4 3,-1.6 -5,-0.2 4,-0.3 0.934 109.3 51.5 -79.1 -50.1 72.0 2.3 -2.5 528 568 C K H 3< S+ 0 0 129 -4,-3.3 3,-0.4 1,-0.3 -42,-0.2 0.947 122.9 29.5 -51.7 -57.1 70.3 2.7 -5.9 529 569 C F T 3X S+ 0 0 12 -4,-2.0 4,-1.6 1,-0.2 3,-0.3 -0.110 80.8 126.2 -99.2 36.9 70.2 -1.1 -6.6 530 570 C H H <> S+ 0 0 53 -3,-1.6 4,-2.3 1,-0.2 -1,-0.2 0.842 70.3 58.8 -60.4 -35.8 70.0 -2.1 -2.9 531 571 C E H > S+ 0 0 113 -3,-0.4 4,-1.2 -4,-0.3 -1,-0.2 0.893 102.5 52.8 -61.6 -41.7 66.9 -4.2 -3.7 532 572 C V H > S+ 0 0 0 -3,-0.3 4,-2.4 2,-0.2 5,-0.2 0.920 110.2 48.3 -61.0 -44.6 68.8 -6.2 -6.3 533 573 C F H X S+ 0 0 5 -4,-1.6 4,-3.0 1,-0.2 -2,-0.2 0.954 108.0 51.8 -61.3 -53.9 71.5 -7.0 -3.7 534 574 C K H < S+ 0 0 83 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.765 114.5 46.1 -55.9 -25.8 69.2 -8.1 -0.9 535 575 C T H >< S+ 0 0 71 -4,-1.2 3,-1.1 -3,-0.2 4,-0.2 0.908 114.9 42.3 -84.1 -46.9 67.5 -10.4 -3.3 536 576 C L H 3< S+ 0 0 26 -4,-2.4 3,-0.4 1,-0.3 -2,-0.2 0.839 120.7 44.9 -67.8 -33.4 70.5 -12.1 -4.9 537 577 C A T 3< S+ 0 0 0 -4,-3.0 -1,-0.3 -5,-0.2 6,-0.2 -0.158 76.7 115.0-103.8 38.1 72.2 -12.3 -1.5 538 578 C E S < S+ 0 0 150 -3,-1.1 -1,-0.2 4,-0.1 2,-0.2 0.893 70.5 57.3 -72.2 -40.9 69.1 -13.6 0.4 539 579 C S S >> S- 0 0 48 -3,-0.4 4,-1.8 -4,-0.2 3,-0.7 -0.514 93.4-115.7 -88.1 158.8 70.8 -17.0 1.1 540 580 C D H 3> S+ 0 0 103 1,-0.3 4,-1.9 2,-0.2 5,-0.2 0.886 118.9 56.7 -60.6 -37.1 74.1 -17.3 2.9 541 581 C E H 3> S+ 0 0 127 1,-0.2 4,-1.1 2,-0.2 -1,-0.3 0.785 106.3 51.4 -64.7 -26.2 75.6 -18.8 -0.2 542 582 C G H <> S+ 0 0 0 -3,-0.7 4,-1.9 2,-0.2 -1,-0.2 0.872 106.7 50.7 -78.3 -38.5 74.5 -15.6 -2.0 543 583 C K H X S+ 0 0 35 -4,-1.8 4,-1.7 1,-0.2 -2,-0.2 0.854 111.4 50.0 -66.7 -34.2 76.1 -13.2 0.5 544 584 C L H X S+ 0 0 46 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.834 110.3 49.9 -73.0 -32.7 79.4 -15.2 0.2 545 585 C H H X S+ 0 0 25 -4,-1.1 4,-2.4 2,-0.2 -2,-0.2 0.820 107.3 53.3 -76.8 -30.1 79.2 -15.0 -3.6 546 586 C V H X S+ 0 0 3 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.939 112.2 45.6 -66.4 -46.3 78.7 -11.3 -3.6 547 587 C L H X S+ 0 0 0 -4,-1.7 4,-1.8 1,-0.2 -2,-0.2 0.895 112.5 51.8 -62.1 -41.7 81.8 -10.9 -1.4 548 588 C R H X S+ 0 0 54 -4,-2.0 4,-1.7 1,-0.2 -1,-0.2 0.912 113.3 42.9 -63.1 -43.3 83.7 -13.3 -3.6 549 589 C V H X S+ 0 0 0 -4,-2.4 4,-1.3 2,-0.2 -2,-0.2 0.864 110.2 56.2 -71.8 -36.0 82.8 -11.4 -6.8 550 590 C M H X S+ 0 0 4 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.875 109.0 48.9 -62.7 -35.5 83.4 -8.0 -5.2 551 591 C F H X S+ 0 0 1 -4,-1.8 4,-1.2 2,-0.2 -2,-0.2 0.889 105.2 55.3 -70.9 -42.2 87.0 -9.2 -4.3 552 592 C E H < S+ 0 0 56 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.790 114.3 43.7 -62.5 -25.9 87.8 -10.5 -7.8 553 593 C V H < S+ 0 0 0 -4,-1.3 -97,-2.0 1,-0.1 3,-0.2 0.871 125.9 27.8 -85.0 -42.5 86.9 -7.0 -9.0 554 594 C W H >< S+ 0 0 5 -4,-2.1 3,-2.5 -99,-0.2 7,-0.4 0.121 75.4 122.7-110.9 22.7 88.7 -4.9 -6.4 555 595 C R T 3< S+ 0 0 91 -4,-1.2 -1,-0.2 1,-0.3 -3,-0.1 0.713 77.8 53.8 -57.4 -22.4 91.6 -7.1 -5.3 556 596 C N T 3 S+ 0 0 47 -102,-0.4 -1,-0.3 -3,-0.2 -101,-0.1 0.431 105.1 58.4 -91.6 2.1 94.1 -4.4 -6.2 557 597 C H X> + 0 0 32 -3,-2.5 4,-1.9 -104,-0.1 3,-1.0 -0.569 59.8 172.3-131.8 70.2 92.3 -1.8 -4.1 558 598 C P H 3> S+ 0 0 11 0, 0.0 4,-2.2 0, 0.0 -1,-0.1 0.796 80.0 55.1 -47.0 -40.1 92.1 -3.1 -0.4 559 599 C Q H 3> S+ 0 0 14 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.883 106.5 50.9 -65.6 -37.6 90.7 0.2 0.9 560 600 C M H <> S+ 0 0 3 -3,-1.0 4,-2.3 1,-0.2 5,-0.2 0.937 109.2 51.8 -63.8 -45.1 87.8 -0.0 -1.6 561 601 C I H X S+ 0 0 0 -4,-1.9 4,-2.4 -7,-0.4 -2,-0.2 0.909 109.1 50.7 -57.2 -43.8 87.1 -3.6 -0.4 562 602 C A H X S+ 0 0 30 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.923 112.2 44.4 -63.5 -45.6 87.0 -2.5 3.2 563 603 C V H X S+ 0 0 16 -4,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.827 114.1 50.5 -70.1 -30.5 84.6 0.4 2.7 564 604 C L H X S+ 0 0 2 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.899 110.2 49.5 -72.7 -39.6 82.3 -1.8 0.5 565 605 C V H X S+ 0 0 1 -4,-2.4 4,-1.4 -5,-0.2 -2,-0.2 0.906 111.2 50.2 -63.9 -40.4 82.3 -4.6 3.0 566 606 C D H X S+ 0 0 29 -4,-2.0 4,-2.1 -5,-0.2 -1,-0.2 0.869 111.5 47.8 -65.5 -37.6 81.4 -2.0 5.8 567 607 C K H X S+ 0 0 40 -4,-1.7 4,-2.3 1,-0.2 6,-0.3 0.918 109.5 52.4 -69.8 -43.0 78.6 -0.6 3.7 568 608 C M H <>S+ 0 0 4 -4,-2.5 6,-1.9 1,-0.2 5,-1.7 0.773 111.0 48.8 -64.0 -26.9 77.1 -4.0 2.8 569 609 C I H ><5S+ 0 0 21 -4,-1.4 3,-1.5 3,-0.2 -1,-0.2 0.938 112.2 46.7 -76.5 -49.4 77.1 -4.9 6.5 570 610 C R H 3<5S+ 0 0 80 -4,-2.1 -2,-0.2 1,-0.3 -3,-0.1 0.808 116.7 43.4 -63.0 -32.5 75.4 -1.7 7.6 571 611 C T T 3<5S- 0 0 45 -4,-2.3 -1,-0.3 -5,-0.1 -2,-0.2 0.192 113.3-120.5 -98.1 14.8 72.7 -1.9 4.8 572 612 C Q T < 5S+ 0 0 141 -3,-1.5 -3,-0.2 2,-0.2 -4,-0.1 0.675 72.1 133.9 55.4 25.8 72.3 -5.6 5.6 573 613 C I S - 0 0 36 -2,-0.3 4,-1.6 -3,-0.1 3,-0.1 -0.643 28.5-101.9-112.6 173.8 76.0 -10.2 7.5 576 616 C C H > S+ 0 0 9 1,-0.2 4,-2.7 -2,-0.2 5,-0.2 0.875 118.5 55.9 -60.4 -42.0 79.0 -10.6 9.8 577 617 C A H > S+ 0 0 27 1,-0.2 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