==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-MAR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER UNKNOWN FUNCTION 16-MAY-07 2PYQ . COMPND 2 MOLECULE: UNCHARACTERIZED PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: JANNASCHIA SP. CCS1; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 456 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22550.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 344 75.4 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 . 8 1.8 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 . 25 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 53 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 218 47.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 31 6.8 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 0 0 0 0 0 5 7 0 0 4 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 . 4 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 0 A G 0 0 129 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-179.5 -13.1 18.2 42.0 2 1 A X - 0 0 152 1,-0.2 4,-0.3 2,-0.1 3,-0.1 0.605 360.0-105.6 -85.5 -11.2 -12.2 19.3 38.5 3 2 A G > - 0 0 39 1,-0.1 4,-2.4 2,-0.1 -1,-0.2 0.032 30.4 -86.5 97.0 150.9 -8.8 17.6 38.3 4 3 A K H > S+ 0 0 77 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.840 121.8 57.4 -61.6 -38.5 -5.3 19.1 38.5 5 4 A R H > S+ 0 0 56 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.954 113.6 39.3 -60.9 -51.3 -5.0 19.9 34.7 6 5 A D H > S+ 0 0 89 -4,-0.3 4,-2.5 1,-0.2 -1,-0.2 0.879 113.5 54.9 -62.8 -39.3 -8.2 22.1 34.8 7 6 A D H X S+ 0 0 84 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.907 110.3 47.6 -60.4 -41.6 -7.3 23.5 38.1 8 7 A L H X S+ 0 0 11 -4,-2.7 4,-2.7 2,-0.2 -2,-0.2 0.940 112.3 46.3 -64.3 -52.1 -3.9 24.6 36.7 9 8 A I H X S+ 0 0 13 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.900 113.2 51.5 -59.3 -41.4 -5.3 26.2 33.5 10 9 A A H X S+ 0 0 59 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.899 111.4 47.7 -59.5 -43.4 -8.0 28.0 35.6 11 10 A Q H X S+ 0 0 74 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.914 110.9 50.5 -64.3 -44.4 -5.3 29.3 37.9 12 11 A Y H X S+ 0 0 13 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.911 111.6 48.3 -58.6 -45.3 -3.1 30.4 34.9 13 12 A A H X S+ 0 0 16 -4,-2.5 4,-2.4 2,-0.2 5,-0.2 0.902 111.7 49.8 -60.7 -42.9 -6.2 32.2 33.4 14 13 A D H X S+ 0 0 78 -4,-2.2 4,-3.2 2,-0.2 5,-0.4 0.923 110.8 49.3 -63.7 -45.9 -6.9 33.9 36.8 15 14 A D H X>S+ 0 0 0 -4,-2.7 5,-2.4 3,-0.2 4,-2.2 0.920 110.7 51.0 -57.5 -46.9 -3.2 35.1 37.1 16 15 A L H <5S+ 0 0 0 -4,-2.4 6,-2.4 3,-0.2 -2,-0.2 0.947 120.2 34.2 -59.7 -47.2 -3.3 36.5 33.5 17 16 A R H X5S+ 0 0 141 -4,-2.4 4,-0.6 4,-0.2 -2,-0.2 0.965 130.3 29.3 -71.6 -52.6 -6.5 38.5 34.2 18 17 A N H <5S+ 0 0 40 -4,-3.2 -3,-0.2 -5,-0.2 -2,-0.2 0.568 131.8 28.1 -94.8 -15.6 -6.1 39.5 37.8 19 18 A K T <5S+ 0 0 22 -4,-2.2 254,-1.8 -5,-0.4 255,-0.3 0.735 131.4 31.5-104.2 -48.9 -2.4 39.7 38.4 20 19 A C T 4 - 0 0 70 -2,-0.2 4,-2.8 1,-0.2 5,-0.2 -0.844 19.6-166.3 -87.6 99.5 -6.6 33.9 25.0 26 25 A X H > S+ 0 0 92 -2,-1.0 4,-2.5 2,-0.2 -1,-0.2 0.845 82.0 55.8 -62.8 -37.2 -7.7 30.5 26.2 27 26 A A H > S+ 0 0 58 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.942 113.7 41.3 -61.0 -47.0 -7.0 28.6 23.0 28 27 A L H > S+ 0 0 6 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.916 111.7 55.3 -65.0 -47.0 -3.4 29.9 23.1 29 28 A L H X S+ 0 0 0 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.894 107.3 50.6 -54.6 -41.7 -3.1 29.2 26.8 30 29 A E H X S+ 0 0 66 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.913 110.5 49.1 -62.0 -42.0 -4.1 25.6 26.3 31 30 A K H X S+ 0 0 75 -4,-1.6 4,-1.8 2,-0.2 -2,-0.2 0.883 112.4 48.1 -64.0 -43.4 -1.5 25.2 23.5 32 31 A V H X S+ 0 0 0 -4,-2.6 4,-1.4 2,-0.2 -1,-0.2 0.898 110.8 51.7 -62.8 -41.7 1.2 26.7 25.8 33 32 A T H X S+ 0 0 15 -4,-2.3 4,-1.2 -5,-0.2 3,-0.4 0.906 106.0 53.8 -64.1 -42.9 0.2 24.4 28.6 34 33 A K H >< S+ 0 0 142 -4,-2.4 3,-0.7 1,-0.2 -1,-0.2 0.931 108.0 51.7 -55.3 -45.8 0.4 21.3 26.4 35 34 A G H 3< S+ 0 0 63 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.761 102.9 57.8 -63.9 -29.3 4.0 22.3 25.6 36 35 A C H 3< S- 0 0 50 -4,-1.4 -1,-0.2 -3,-0.4 -2,-0.2 0.792 116.0-110.1 -71.7 -30.1 5.0 22.7 29.2 37 36 A G << - 0 0 32 -4,-1.2 -1,-0.3 -3,-0.7 3,-0.1 -0.828 50.4 -26.1 136.0-169.7 4.0 19.0 29.9 38 37 A P S S- 0 0 118 0, 0.0 -4,-0.0 0, 0.0 0, 0.0 -0.375 90.2 -67.5 -69.8 161.1 1.3 16.9 31.7 39 38 A A - 0 0 39 1,-0.1 2,-0.5 -2,-0.0 -34,-0.1 -0.232 54.5-138.8 -53.3 133.0 -0.5 18.5 34.8 40 39 A I - 0 0 59 -36,-0.2 -1,-0.1 1,-0.1 6,-0.1 -0.883 22.1-175.4-103.8 126.3 2.0 18.9 37.6 41 40 A Y S S+ 0 0 186 -2,-0.5 2,-1.0 1,-0.1 -1,-0.1 0.676 72.3 79.8 -85.6 -29.0 1.0 18.2 41.2 42 41 A N >> - 0 0 94 1,-0.2 3,-1.4 2,-0.0 4,-0.6 -0.776 68.6-161.0 -86.3 99.2 4.3 19.4 42.7 43 42 A R H >> S+ 0 0 50 -2,-1.0 3,-1.0 1,-0.3 4,-0.5 0.792 85.7 64.3 -47.0 -39.8 3.9 23.3 42.7 44 43 A D H >4 S+ 0 0 79 1,-0.2 3,-0.6 2,-0.2 -1,-0.3 0.840 101.6 50.1 -54.5 -39.6 7.7 23.8 42.9 45 44 A A H <4 S+ 0 0 50 -3,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.624 106.3 54.6 -78.0 -18.2 8.2 22.2 39.5 46 45 A S H << S+ 0 0 6 -3,-1.0 50,-2.8 -4,-0.6 51,-0.4 0.467 97.3 79.6 -95.0 -2.7 5.6 24.3 37.7 47 46 A T B << -A 95 0A 25 -3,-0.6 2,-0.4 -4,-0.5 48,-0.2 -0.720 68.4-133.2-112.6 157.3 7.0 27.8 38.7 48 47 A V - 0 0 6 46,-3.1 2,-1.1 -2,-0.3 46,-0.5 -0.901 17.5-131.2-107.8 132.1 9.9 30.0 37.5 49 48 A A > - 0 0 43 -2,-0.4 3,-1.6 1,-0.2 7,-0.2 -0.752 21.9-166.7 -83.6 98.9 12.4 31.6 40.0 50 49 A G T 3 S+ 0 0 16 -2,-1.1 -1,-0.2 1,-0.3 34,-0.1 0.762 83.1 52.5 -58.0 -31.3 12.2 35.2 38.6 51 50 A S T 3 S+ 0 0 62 -3,-0.1 2,-0.7 38,-0.1 -1,-0.3 0.286 85.1 100.5 -90.7 8.3 15.3 36.3 40.5 52 51 A D <> - 0 0 13 -3,-1.6 4,-1.9 1,-0.2 3,-0.3 -0.861 56.9-159.6-102.1 112.3 17.6 33.4 39.3 53 52 A T H > S+ 0 0 100 -2,-0.7 4,-2.2 1,-0.2 5,-0.2 0.872 90.6 50.1 -50.7 -50.9 19.9 34.5 36.4 54 53 A A H > S+ 0 0 33 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.857 108.1 53.4 -62.7 -35.5 20.6 31.0 35.1 55 54 A E H > S+ 0 0 37 -3,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.905 110.6 46.6 -67.6 -39.9 16.9 30.2 35.0 56 55 A L H X S+ 0 0 17 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.877 110.3 53.0 -68.3 -38.3 16.2 33.3 32.9 57 56 A E H X S+ 0 0 89 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.833 108.7 51.6 -62.9 -33.5 19.2 32.4 30.6 58 57 A T H X>S+ 0 0 51 -4,-1.8 4,-2.9 2,-0.2 5,-0.6 0.861 107.9 50.0 -71.1 -40.0 17.6 29.0 30.2 59 58 A I H X>S+ 0 0 1 -4,-1.8 5,-2.3 3,-0.2 4,-1.6 0.928 113.0 49.2 -63.7 -41.8 14.3 30.5 29.2 60 59 A K H <>S+ 0 0 32 -4,-2.2 5,-2.3 3,-0.2 6,-0.2 0.943 120.5 33.5 -61.3 -50.4 16.2 32.7 26.7 61 60 A K H <>S+ 0 0 118 -4,-2.5 5,-1.6 3,-0.2 -2,-0.2 0.943 129.3 32.1 -75.1 -47.1 18.2 29.8 25.1 62 61 A N H <5S+ 0 0 85 -4,-2.9 5,-0.5 3,-0.2 -3,-0.2 0.848 132.1 23.6 -85.3 -36.5 15.6 26.9 25.4 63 62 A F T XXS+ 0 0 9 -4,-1.6 5,-2.7 -5,-0.6 4,-0.9 0.911 129.1 33.4 -94.6 -59.3 12.3 28.7 25.0 64 63 A L T 4> S- 0 0 49 -2,-0.4 3,-1.8 1,-0.1 4,-0.7 -0.964 74.9 -93.9-166.8 165.9 19.7 40.0 21.1 74 73 A E H 3> S+ 0 0 116 -2,-0.3 4,-2.2 1,-0.3 5,-0.2 0.782 116.5 71.2 -55.5 -35.3 19.2 42.5 24.1 75 74 A S H 3> S+ 0 0 65 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.770 90.7 59.6 -59.1 -25.5 15.4 42.3 23.3 76 75 A L H <> S+ 0 0 1 -3,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.982 111.4 34.6 -69.7 -57.2 15.2 38.7 24.6 77 76 A X H X S+ 0 0 32 -4,-0.7 4,-3.0 1,-0.2 5,-0.2 0.858 116.9 58.2 -64.9 -32.5 16.3 39.3 28.2 78 77 A G H X S+ 0 0 32 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.919 108.4 45.5 -59.7 -43.2 14.5 42.7 28.0 79 78 A G H X S+ 0 0 1 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.887 112.9 49.7 -66.3 -41.5 11.3 40.8 27.1 80 79 A I H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 5,-0.2 0.947 112.1 48.1 -62.4 -47.5 11.9 38.2 29.9 81 80 A Q H X S+ 0 0 120 -4,-3.0 4,-2.4 1,-0.2 -2,-0.2 0.911 111.5 52.1 -59.5 -42.6 12.6 41.1 32.4 82 81 A S H X S+ 0 0 53 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.916 111.4 43.9 -59.6 -50.3 9.4 42.8 31.2 83 82 A V H X S+ 0 0 6 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.889 112.9 51.9 -69.0 -35.2 7.1 39.8 31.7 84 83 A I H X S+ 0 0 21 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.912 112.0 47.3 -65.1 -41.2 8.6 39.0 35.1 85 84 A E H < S+ 0 0 91 -4,-2.4 4,-0.3 -5,-0.2 -2,-0.2 0.900 111.5 51.1 -63.8 -41.9 8.0 42.6 36.2 86 85 A T H < S+ 0 0 44 -4,-2.4 188,-0.3 1,-0.2 -2,-0.2 0.928 108.3 50.7 -60.9 -45.8 4.4 42.4 34.8 87 86 A Y H < S- 0 0 1 -4,-2.5 -1,-0.2 -5,-0.1 -2,-0.2 0.890 125.1-106.8 -61.5 -40.2 3.7 39.2 36.8 88 87 A G >< - 0 0 0 -4,-2.0 3,-1.4 -5,-0.2 -2,-0.1 0.169 5.7-116.0 121.2 135.4 5.1 41.0 39.8 89 88 A R T 3 S+ 0 0 76 -4,-0.3 -1,-0.1 1,-0.3 -38,-0.1 0.855 116.5 53.8 -58.0 -38.5 8.1 41.3 42.1 90 89 A S T 3 S+ 0 0 14 2,-0.0 2,-0.7 -3,-0.0 -1,-0.3 0.529 83.6 104.7 -75.5 -8.5 5.9 40.1 45.1 91 90 A E < + 0 0 30 -3,-1.4 3,-0.3 1,-0.2 -3,-0.1 -0.677 41.1 177.4 -82.9 115.8 4.7 37.0 43.2 92 91 A R S S+ 0 0 103 -2,-0.7 2,-0.4 1,-0.2 -1,-0.2 0.560 75.2 58.2 -91.4 -10.2 6.4 33.8 44.6 93 92 A N + 0 0 66 -46,-0.1 2,-1.1 2,-0.0 -1,-0.2 -0.662 63.7 168.2-119.0 70.5 4.4 31.4 42.3 94 93 A K - 0 0 14 -46,-0.5 -46,-3.1 -2,-0.4 2,-0.1 -0.758 32.1-138.8 -81.7 101.2 5.2 32.6 38.8 95 94 A Y B > -A 47 0A 33 -2,-1.1 4,-2.3 -48,-0.2 -48,-0.3 -0.405 3.8-138.7 -68.2 132.5 3.8 29.7 36.7 96 95 A R H > S+ 0 0 59 -50,-2.8 4,-3.1 1,-0.2 5,-0.2 0.894 103.5 55.8 -63.4 -36.0 6.1 28.8 33.9 97 96 A A H > S+ 0 0 2 -51,-0.4 4,-2.5 1,-0.2 -1,-0.2 0.888 108.6 49.0 -59.3 -39.9 3.0 28.4 31.5 98 97 A V H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.918 112.1 47.6 -67.5 -42.8 2.0 31.9 32.4 99 98 A V H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.931 113.8 47.4 -62.2 -46.3 5.5 33.2 31.7 100 99 A Y H X S+ 0 0 35 -4,-3.1 4,-2.4 2,-0.2 -2,-0.2 0.902 111.5 51.1 -62.6 -42.2 5.7 31.3 28.4 101 100 A Y H X S+ 0 0 1 -4,-2.5 4,-2.4 -5,-0.2 -2,-0.2 0.940 111.6 47.6 -58.9 -49.7 2.3 32.6 27.4 102 101 A X H X S+ 0 0 7 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.892 112.4 48.6 -62.5 -41.4 3.3 36.2 28.1 103 102 A L H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 6,-0.2 0.903 109.6 52.3 -64.4 -43.4 6.6 35.9 26.2 104 103 A T H <>S+ 0 0 0 -4,-2.4 5,-2.6 1,-0.2 6,-0.4 0.934 114.8 42.7 -57.2 -49.4 4.8 34.3 23.2 105 104 A K H ><5S+ 0 0 67 -4,-2.4 3,-1.1 3,-0.2 -2,-0.2 0.910 111.9 54.6 -55.1 -49.3 2.3 37.3 23.2 106 105 A H H 3<5S+ 0 0 94 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.856 115.0 38.2 -60.7 -38.8 5.1 39.9 23.8 107 106 A F T 3<5S- 0 0 42 -4,-2.3 -1,-0.3 -5,-0.1 -2,-0.2 0.359 110.0-118.6 -94.0 3.1 7.1 38.7 20.8 108 107 A G T < 5S+ 0 0 49 -3,-1.1 3,-0.3 -4,-0.4 -3,-0.2 0.796 71.2 133.5 64.2 35.5 4.1 38.1 18.5 109 108 A K > < + 0 0 63 -5,-2.6 3,-1.5 -6,-0.2 4,-0.4 0.080 18.9 120.3-107.6 24.3 4.8 34.4 18.1 110 109 A E G > + 0 0 57 -6,-0.4 3,-1.7 1,-0.3 4,-0.3 0.854 67.7 63.9 -56.4 -41.7 1.3 32.9 18.7 111 110 A S G > S+ 0 0 107 -3,-0.3 3,-1.3 1,-0.3 -1,-0.3 0.688 85.1 73.1 -62.5 -20.8 1.2 31.3 15.3 112 111 A V G < S+ 0 0 72 -3,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.779 93.9 55.2 -62.6 -28.8 4.1 28.9 16.1 113 112 A Y G < 0 0 59 -3,-1.7 -1,-0.3 -4,-0.4 -2,-0.2 0.571 360.0 360.0 -77.0 -14.3 1.7 27.0 18.4 114 113 A G < 0 0 88 -3,-1.3 -3,-0.1 -4,-0.3 -2,-0.1 0.254 360.0 360.0 88.8 360.0 -0.8 26.5 15.5 115 !* 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 0.0 116 0 B G 0 0 15 0, 0.0 3,-0.1 0, 0.0 158,-0.0 0.000 360.0 360.0 360.0-175.0 3.4 45.7 45.8 117 1 B X - 0 0 78 1,-0.2 4,-0.4 162,-0.1 3,-0.1 0.542 360.0-108.7 -84.9 -7.3 4.3 44.7 49.4 118 2 B G > - 0 0 9 1,-0.1 4,-2.4 2,-0.1 -1,-0.2 0.074 30.5 -81.6 94.3 154.5 7.8 46.3 49.4 119 3 B K H > S+ 0 0 60 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.852 123.4 57.6 -62.3 -39.7 11.3 44.8 49.3 120 4 B R H > S+ 0 0 53 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.943 113.9 38.9 -58.7 -50.1 11.5 44.0 53.1 121 5 B D H > S+ 0 0 82 -4,-0.4 4,-2.5 2,-0.2 -1,-0.2 0.887 114.0 54.3 -65.1 -40.4 8.3 41.9 53.0 122 6 B D H X S+ 0 0 20 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.903 110.8 47.3 -60.9 -41.9 9.2 40.4 49.6 123 7 B L H X S+ 0 0 4 -4,-2.9 4,-2.7 2,-0.2 -2,-0.2 0.942 112.5 46.5 -63.5 -52.2 12.6 39.3 51.1 124 8 B I H X S+ 0 0 26 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.901 113.3 51.3 -58.9 -41.1 11.2 37.8 54.3 125 9 B A H X S+ 0 0 25 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.914 111.6 47.2 -60.6 -42.1 8.5 36.0 52.2 126 10 B Q H X S+ 0 0 46 -4,-2.2 4,-3.0 2,-0.2 -2,-0.2 0.900 110.7 51.7 -66.1 -42.6 11.2 34.6 49.9 127 11 B Y H X S+ 0 0 10 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.912 111.7 46.9 -58.6 -46.3 13.4 33.5 52.9 128 12 B A H X S+ 0 0 17 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.888 112.0 50.0 -62.3 -42.9 10.4 31.7 54.4 129 13 B D H X S+ 0 0 45 -4,-2.3 4,-3.3 2,-0.2 5,-0.4 0.932 111.6 49.3 -62.4 -46.0 9.6 30.0 51.0 130 14 B D H X>S+ 0 0 0 -4,-3.0 5,-2.3 3,-0.2 4,-2.0 0.920 111.2 49.4 -56.4 -47.7 13.3 28.9 50.7 131 15 B L H <5S+ 0 0 0 -4,-2.4 6,-2.6 3,-0.2 5,-0.2 0.951 120.5 35.6 -59.8 -46.5 13.3 27.5 54.2 132 16 B R H <5S+ 0 0 144 -4,-2.5 4,-0.2 4,-0.2 -2,-0.2 0.924 129.5 28.5 -73.3 -49.5 10.0 25.5 53.6 133 17 B N H <5S+ 0 0 73 -4,-3.3 -3,-0.2 -5,-0.2 -2,-0.2 0.613 131.6 28.3 -95.4 -18.9 10.4 24.5 49.9 134 18 B K T <5S+ 0 0 82 -4,-2.0 -3,-0.2 -5,-0.4 -4,-0.1 0.762 130.7 32.7-103.8 -48.2 14.2 24.2 49.4 135 19 B C S - 0 0 63 1,-0.2 4,-2.7 -2,-0.1 5,-0.2 -0.893 20.1-166.0 -89.6 102.2 10.0 30.1 62.9 141 25 B X H > S+ 0 0 85 -2,-0.9 4,-2.4 2,-0.2 -1,-0.2 0.833 82.1 55.6 -66.2 -36.3 8.8 33.5 61.6 142 26 B A H > S+ 0 0 59 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.947 113.3 42.3 -61.0 -47.7 9.6 35.4 64.8 143 27 B L H > S+ 0 0 6 1,-0.2 4,-2.8 2,-0.2 -2,-0.2 0.917 112.1 53.5 -65.2 -46.6 13.2 34.1 64.6 144 28 B L H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.894 107.6 51.5 -56.8 -39.9 13.5 34.8 60.9 145 29 B E H X S+ 0 0 42 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.888 111.1 48.4 -62.8 -37.1 12.3 38.4 61.4 146 30 B K H X S+ 0 0 59 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.908 111.7 48.3 -69.1 -44.9 15.0 38.8 64.1 147 31 B V H X S+ 0 0 0 -4,-2.8 4,-1.3 2,-0.2 -2,-0.2 0.895 110.5 52.4 -60.1 -40.6 17.7 37.3 61.9 148 32 B T H X S+ 0 0 10 -4,-2.4 4,-0.8 -5,-0.2 3,-0.4 0.902 106.7 52.6 -64.1 -43.3 16.6 39.6 59.0 149 33 B K H >< S+ 0 0 65 -4,-2.1 3,-1.2 1,-0.2 -1,-0.2 0.922 106.8 53.9 -55.1 -47.2 16.8 42.7 61.3 150 34 B G H 3< S+ 0 0 18 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.789 102.0 57.9 -58.4 -33.0 20.4 41.7 62.1 151 35 B C H 3< S- 0 0 50 -4,-1.3 -1,-0.3 -3,-0.4 -2,-0.2 0.699 113.8-122.0 -71.2 -22.7 21.3 41.5 58.4 152 36 B G << - 0 0 29 -3,-1.2 -1,-0.2 -4,-0.8 3,-0.1 -0.689 49.9 -14.7 119.5-166.6 20.2 45.2 58.0 153 37 B P S S- 0 0 118 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.255 93.4 -68.5 -64.7 163.0 17.7 47.3 56.0 154 38 B A - 0 0 30 1,-0.1 2,-0.5 2,-0.0 -34,-0.1 -0.231 51.3-136.5 -57.0 141.6 16.1 45.6 52.9 155 39 B I - 0 0 51 -36,-0.1 -1,-0.1 1,-0.1 6,-0.0 -0.901 23.5-179.1-107.8 124.0 18.6 44.9 50.1 156 40 B Y S S+ 0 0 104 -2,-0.5 2,-1.0 1,-0.1 -1,-0.1 0.667 70.5 80.9 -89.3 -28.8 17.5 45.7 46.5 157 41 B N >> - 0 0 92 1,-0.2 3,-1.6 2,-0.0 4,-0.7 -0.754 68.4-160.7 -83.9 100.1 20.9 44.5 45.1 158 42 B R H >> S+ 0 0 43 -2,-1.0 3,-1.0 1,-0.3 4,-0.5 0.815 86.9 63.0 -47.0 -40.5 20.6 40.6 45.0 159 43 B D H 34 S+ 0 0 134 1,-0.2 3,-0.5 2,-0.2 -1,-0.3 0.808 102.1 50.0 -56.6 -35.6 24.4 40.2 44.9 160 44 B A H <4 S+ 0 0 57 -3,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.650 107.0 53.7 -81.4 -17.8 24.8 41.9 48.3 161 45 B S H << S+ 0 0 7 -3,-1.0 50,-2.9 -4,-0.7 51,-0.5 0.474 97.5 79.2 -95.9 -1.9 22.1 39.7 50.1 162 46 B T B < -B 210 0B 26 -4,-0.5 2,-0.4 -3,-0.5 48,-0.2 -0.724 69.0-130.8-113.7 156.3 23.6 36.2 49.1 163 47 B V - 0 0 7 46,-3.1 2,-1.2 -2,-0.3 46,-0.5 -0.879 18.3-129.5-105.7 133.3 26.5 34.0 50.3 164 48 B A > - 0 0 48 -2,-0.4 3,-1.8 1,-0.2 7,-0.2 -0.732 23.4-166.3 -80.6 97.6 29.0 32.4 47.9 165 49 B G T 3 S+ 0 0 18 -2,-1.2 -1,-0.2 1,-0.3 34,-0.1 0.729 83.6 50.1 -59.1 -26.9 28.7 28.8 49.2 166 50 B S T 3 S+ 0 0 122 -3,-0.1 2,-0.7 4,-0.0 -1,-0.3 0.234 84.9 103.9 -96.9 11.2 31.9 27.7 47.4 167 51 B D <> - 0 0 76 -3,-1.8 4,-1.9 1,-0.2 3,-0.3 -0.845 54.4-161.2-101.8 111.7 34.2 30.6 48.7 168 52 B T H > S+ 0 0 105 -2,-0.7 4,-2.4 1,-0.2 5,-0.2 0.893 91.1 49.9 -54.7 -48.9 36.6 29.5 51.4 169 53 B A H > S+ 0 0 61 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.864 108.6 53.0 -61.7 -39.0 37.3 33.0 52.8 170 54 B E H > S+ 0 0 44 -3,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.902 111.9 45.9 -60.0 -45.8 33.5 33.8 53.0 171 55 B L H X S+ 0 0 17 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.873 110.0 53.3 -68.2 -38.9 32.9 30.7 55.0 172 56 B E H X S+ 0 0 90 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.838 108.8 51.2 -61.8 -35.0 35.9 31.4 57.3 173 57 B T H X>S+ 0 0 69 -4,-1.7 4,-2.6 2,-0.2 5,-0.7 0.868 108.4 50.1 -70.0 -40.6 34.4 34.9 57.9 174 58 B I H X>S+ 0 0 1 -4,-1.8 5,-2.2 3,-0.2 4,-1.5 0.940 114.0 47.1 -61.8 -44.6 31.0 33.3 58.9 175 59 B K H <>S+ 0 0 34 -4,-2.4 5,-2.5 3,-0.2 6,-0.2 0.943 118.8 38.7 -61.4 -51.4 32.9 31.0 61.3 176 60 B K H <>S+ 0 0 42 -4,-2.5 5,-1.5 3,-0.2 -2,-0.2 0.942 129.4 26.1 -68.3 -47.4 35.0 33.8 62.9 177 61 B N H <>S+ 0 0 86 -4,-2.6 5,-1.2 3,-0.2 -3,-0.2 0.853 132.3 28.8 -90.9 -38.6 32.5 36.6 63.1 178 62 B F I > S- 0 0 47 -2,-0.2 3,-1.8 1,-0.0 4,-0.6 -0.959 78.2 -87.4-169.3 165.6 36.3 23.3 66.6 189 73 B E H 3> S+ 0 0 183 -2,-0.3 4,-2.3 1,-0.3 5,-0.2 0.762 117.1 72.6 -57.1 -32.7 35.5 21.0 63.5 190 74 B S H 3> S+ 0 0 65 2,-0.2 4,-2.2 1,-0.2 -1,-0.3 0.768 90.9 58.5 -56.8 -27.7 31.7 21.5 64.4 191 75 B L H <> S+ 0 0 1 -3,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.984 113.0 32.8 -69.7 -56.5 31.8 25.1 63.1 192 76 B X H X S+ 0 0 34 -4,-0.6 4,-2.9 1,-0.2 5,-0.2 0.869 118.3 58.7 -67.6 -32.7 32.9 24.5 59.5 193 77 B G H X S+ 0 0 34 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.911 107.0 46.6 -58.9 -44.1 31.0 21.2 59.7 194 78 B G H X S+ 0 0 1 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.895 112.1 49.4 -65.8 -44.4 27.8 23.2 60.5 195 79 B I H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 5,-0.2 0.942 112.5 48.1 -60.7 -46.9 28.4 25.7 57.7 196 80 B Q H X S+ 0 0 121 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.906 111.3 52.4 -61.0 -40.4 29.0 22.9 55.2 197 81 B S H X S+ 0 0 52 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.916 111.1 43.9 -62.0 -46.5 25.8 21.1 56.4 198 82 B V H X S+ 0 0 5 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.889 113.0 51.9 -73.1 -32.7 23.5 24.1 56.0 199 83 B I H X S+ 0 0 21 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.912 111.9 47.4 -65.9 -41.3 25.0 25.0 52.6 200 84 B E H < S+ 0 0 94 -4,-2.4 4,-0.3 -5,-0.2 -2,-0.2 0.904 111.9 50.3 -63.4 -44.1 24.4 21.3 51.5 201 85 B T H < S+ 0 0 62 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.921 108.3 51.4 -58.8 -44.8 20.8 21.5 52.9 202 86 B Y H < S- 0 0 6 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.889 125.7-104.2 -62.1 -39.8 20.2 24.8 51.0 203 87 B G >< - 0 0 19 -4,-2.0 3,-1.4 -5,-0.2 -2,-0.1 0.197 7.3-119.6 122.6 133.3 21.4 22.9 48.0 204 88 B R T 3 S+ 0 0 100 -4,-0.3 -1,-0.1 1,-0.3 -4,-0.1 0.798 115.5 54.7 -60.4 -33.4 24.5 22.7 45.7 205 89 B S T 3 S+ 0 0 102 -3,-0.0 2,-0.7 2,-0.0 -1,-0.3 0.534 83.9 104.2 -78.0 -7.9 22.4 23.8 42.7 206 90 B E < + 0 0 30 -3,-1.4 3,-0.2 1,-0.1 -3,-0.1 -0.677 42.5 178.5 -83.2 115.4 21.1 27.0 44.5 207 91 B R S S+ 0 0 146 -2,-0.7 2,-0.4 1,-0.2 -1,-0.1 0.556 75.2 58.1 -90.9 -10.1 22.9 30.1 43.1 208 92 B N + 0 0 24 -46,-0.1 2,-1.1 2,-0.0 -1,-0.2 -0.703 64.4 169.3-118.3 72.4 21.0 32.6 45.4 209 93 B K - 0 0 15 -46,-0.5 -46,-3.1 -2,-0.4 2,-0.1 -0.776 31.6-138.8 -86.1 101.3 21.8 31.4 48.9 210 94 B Y B > -B 162 0B 12 -2,-1.1 4,-2.2 -48,-0.2 3,-0.3 -0.413 3.8-139.0 -68.4 132.1 20.4 34.3 51.0 211 95 B R H > S+ 0 0 56 -50,-2.9 4,-3.0 1,-0.2 5,-0.2 0.871 102.7 57.6 -64.0 -33.5 22.7 35.1 53.8 212 96 B A H > S+ 0 0 2 -51,-0.5 4,-2.4 1,-0.2 -1,-0.2 0.888 108.6 47.4 -59.6 -39.9 19.6 35.6 56.2 213 97 B V H > S+ 0 0 0 -3,-0.3 4,-2.7 2,-0.2 -1,-0.2 0.910 112.3 48.8 -68.4 -44.1 18.5 32.0 55.5 214 98 B V H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.949 113.9 46.3 -58.5 -48.5 22.1 30.7 56.1 215 99 B Y H X S+ 0 0 40 -4,-3.0 4,-2.4 1,-0.2 -2,-0.2 0.910 112.4 50.9 -64.4 -39.0 22.3 32.6 59.4 216 100 B Y H X S+ 0 0 1 -4,-2.4 4,-2.3 -5,-0.2 -1,-0.2 0.933 111.0 47.9 -61.6 -48.1 18.9 31.4 60.4 217 101 B X H X S+ 0 0 6 -4,-2.7 4,-2.7 2,-0.2 -2,-0.2 0.886 112.5 48.8 -61.7 -41.2 19.8 27.8 59.6 218 102 B L H X S+ 0 0 0 -4,-2.5 4,-2.1 2,-0.2 6,-0.2 0.919 109.5 52.7 -64.0 -43.2 23.1 28.1 61.6 219 103 B T H <>S+ 0 0 0 -4,-2.4 5,-2.3 1,-0.2 4,-0.4 0.929 115.0 41.0 -59.3 -47.0 21.3 29.6 64.6 220 104 B K H ><5S+ 0 0 65 -4,-2.3 3,-1.1 3,-0.2 -1,-0.2 0.898 110.4 58.1 -63.5 -45.8 18.9 26.8 64.7 221 105 B H H 3<5S+ 0 0 95 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.877 114.7 36.5 -55.2 -40.5 21.6 24.1 64.0 222 106 B F T 3<5S- 0 0 41 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.373 109.8-118.1 -95.7 2.9 23.6 25.2 67.1 223 107 B G T < 5S+ 0 0 50 -3,-1.1 3,-0.3 -4,-0.4 -3,-0.2 0.783 72.2 133.7 63.7 33.1 20.5 25.9 69.3 224 108 B K > < + 0 0 44 -5,-2.3 3,-1.9 -6,-0.2 4,-0.3 0.005 12.6 129.1-105.1 27.2 21.6 29.6 69.6 225 109 B E G > + 0 0 67 -6,-0.3 3,-1.6 1,-0.3 -1,-0.2 0.820 64.7 69.6 -51.3 -33.6 18.2 31.2 69.0 226 110 B S G > S+ 0 0 97 -3,-0.3 3,-2.0 1,-0.3 -1,-0.3 0.717 77.8 74.4 -63.1 -23.4 18.6 33.3 72.2 227 111 B V G < S+ 0 0 49 -3,-1.9 229,-0.4 1,-0.3 -1,-0.3 0.749 92.7 59.4 -61.4 -21.7 21.5 35.5 70.8 228 112 B Y G < 0 0 12 -3,-1.6 -1,-0.3 -4,-0.3 -2,-0.2 0.464 360.0 360.0 -83.6 -3.5 18.7 37.3 68.8 229 113 B G < 0 0 43 -3,-2.0 -3,-0.1 -4,-0.1 -2,-0.1 0.523 360.0 360.0 72.8 360.0 16.8 38.3 72.0 230 !* 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 0.0 231 0 C G 0 0 110 0, 0.0 4,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 166.0 -20.8 48.8 33.3 232 1 C X > - 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0 0 76 -3,-1.7 4,-2.1 1,-0.2 5,-0.2 -0.858 57.0-153.6 -98.5 117.6 6.1 62.3 80.1 398 52 D T H > S+ 0 0 112 -2,-0.6 4,-2.4 1,-0.2 5,-0.2 0.893 93.0 50.7 -61.1 -42.2 3.6 59.6 79.4 399 53 D A H > S+ 0 0 57 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.907 109.3 50.7 -61.0 -48.6 3.4 60.4 75.6 400 54 D E H > S+ 0 0 32 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.918 112.1 47.3 -54.1 -48.9 7.2 60.2 75.2 401 55 D L H X S+ 0 0 7 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.893 111.1 49.8 -67.7 -39.2 7.4 56.9 77.0 402 56 D E H X S+ 0 0 100 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.845 110.7 51.5 -64.0 -34.0 4.5 55.3 75.0 403 57 D T H X>S+ 0 0 49 -4,-2.0 4,-3.1 2,-0.2 5,-0.6 0.914 108.1 50.8 -69.3 -43.3 6.2 56.5 71.8 404 58 D I H X>S+ 0 0 0 -4,-2.4 5,-2.4 3,-0.2 4,-1.6 0.934 113.0 47.5 -57.4 -45.1 9.5 54.9 72.8 405 59 D K H <>S+ 0 0 33 -4,-2.3 5,-2.4 3,-0.2 -2,-0.2 0.946 119.1 37.4 -60.9 -52.5 7.7 51.6 73.5 406 60 D K H <>S+ 0 0 118 -4,-2.5 5,-1.7 3,-0.2 -2,-0.2 0.916 129.0 29.3 -71.4 -42.2 5.7 51.6 70.2 407 61 D N H <>S+ 0 0 89 -4,-3.1 5,-1.7 3,-0.2 -3,-0.2 0.879 132.1 25.8 -89.3 -42.7 8.4 53.0 67.8 408 62 D F I > - 0 0 53 -2,-0.3 3,-1.6 -3,-0.1 4,-0.6 -0.960 67.9 -98.4-158.3 167.0 4.2 43.0 77.0 419 73 D E H 3> S+ 0 0 92 -2,-0.3 4,-1.8 1,-0.3 3,-0.2 0.772 115.0 70.7 -58.2 -31.1 4.4 44.5 80.5 420 74 D S H 3> S+ 0 0 65 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.752 88.2 66.5 -58.9 -25.9 8.2 44.0 80.5 421 75 D L H <> S+ 0 0 2 -3,-1.6 4,-1.8 2,-0.2 -1,-0.2 0.967 106.3 35.8 -63.9 -56.9 8.5 46.8 77.9 422 76 D X H X S+ 0 0 40 -4,-0.6 4,-2.7 1,-0.2 -1,-0.2 0.854 115.0 58.9 -64.6 -34.1 7.3 49.7 80.1 423 77 D G H X S+ 0 0 43 -4,-1.8 4,-2.2 1,-0.2 -1,-0.2 0.901 107.0 47.1 -57.9 -42.7 9.1 48.1 83.0 424 78 D G H X S+ 0 0 1 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.880 110.0 52.4 -67.0 -42.5 12.4 48.3 81.1 425 79 D I H X S+ 0 0 1 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.950 111.9 46.1 -58.3 -48.5 11.7 51.9 80.1 426 80 D Q H X S+ 0 0 70 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.898 112.6 51.8 -61.1 -40.5 11.2 52.8 83.7 427 81 D S H X S+ 0 0 51 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.905 110.9 45.6 -62.1 -46.0 14.3 50.9 84.8 428 82 D V H X S+ 0 0 5 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.884 110.7 52.3 -75.2 -31.5 16.5 52.5 82.4 429 83 D I H X S+ 0 0 1 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.925 111.0 50.6 -62.3 -43.0 15.1 56.1 83.2 430 84 D E H < S+ 0 0 110 -4,-2.3 4,-0.3 1,-0.2 -2,-0.2 0.890 108.8 50.4 -60.0 -43.7 15.8 55.3 86.9 431 85 D T H < S+ 0 0 66 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.884 112.4 46.7 -60.9 -42.3 19.4 54.2 86.1 432 86 D Y H < S- 0 0 7 -4,-2.2 -2,-0.2 -5,-0.1 -1,-0.2 0.886 129.1 -92.4 -68.1 -42.1 20.0 57.4 84.2 433 87 D G >< - 0 0 24 -4,-2.4 3,-2.0 -5,-0.2 -3,-0.1 0.247 20.1-131.3 125.6 111.8 18.5 59.5 87.0 434 88 D R T 3 S+ 0 0 104 -4,-0.3 -39,-0.2 1,-0.3 -38,-0.1 0.850 110.7 47.2 -56.9 -34.6 14.9 60.5 87.1 435 89 D S T 3 S+ 0 0 124 -5,-0.1 2,-0.4 -40,-0.1 -1,-0.3 0.300 80.1 126.1 -90.7 7.8 15.9 64.2 87.8 436 90 D E < - 0 0 41 -3,-2.0 3,-0.3 1,-0.2 -41,-0.2 -0.552 50.6-153.9 -66.4 124.5 18.6 64.3 85.0 437 91 D R S S+ 0 0 85 -2,-0.4 2,-0.7 1,-0.2 -1,-0.2 0.869 84.7 43.8 -68.4 -38.7 17.8 67.3 82.8 438 92 D N + 0 0 77 -46,-0.1 2,-1.1 -44,-0.0 -1,-0.2 -0.753 62.7 169.9-115.5 80.8 19.4 65.9 79.7 439 93 D K - 0 0 9 -2,-0.7 -46,-2.7 -46,-0.4 2,-0.1 -0.804 32.7-139.6 -87.4 99.1 18.5 62.3 79.2 440 94 D Y B > -D 392 0D 38 -2,-1.1 4,-2.5 -48,-0.2 3,-0.3 -0.375 4.3-137.6 -66.7 132.9 19.9 61.7 75.7 441 95 D R H > S+ 0 0 30 -50,-2.7 4,-3.1 1,-0.2 5,-0.2 0.912 105.0 54.2 -55.3 -43.9 17.7 59.6 73.4 442 96 D A H > S+ 0 0 0 -51,-0.4 4,-2.1 1,-0.2 -1,-0.2 0.859 109.6 47.7 -60.0 -39.1 20.7 57.7 72.1 443 97 D V H > S+ 0 0 0 -3,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.927 113.4 47.3 -66.7 -46.8 21.8 56.8 75.6 444 98 D V H X S+ 0 0 2 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.923 114.0 48.2 -59.6 -43.9 18.3 55.7 76.6 445 99 D Y H X S+ 0 0 28 -4,-3.1 4,-2.6 2,-0.2 -2,-0.2 0.904 110.2 51.1 -65.5 -40.0 18.1 53.6 73.3 446 100 D Y H X S+ 0 0 2 -4,-2.1 4,-2.1 -5,-0.2 5,-0.2 0.944 112.0 47.6 -60.0 -49.6 21.5 52.1 74.0 447 101 D X H X S+ 0 0 7 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.905 111.9 49.2 -59.8 -40.9 20.4 51.1 77.5 448 102 D L H X S+ 0 0 0 -4,-2.4 4,-2.0 2,-0.2 6,-0.2 0.919 107.8 54.8 -65.7 -42.7 17.1 49.6 76.3 449 103 D T H <>S+ 0 0 0 -4,-2.6 5,-2.8 1,-0.2 6,-0.3 0.927 115.2 39.3 -56.5 -46.6 18.9 47.6 73.6 450 104 D K H ><5S+ 0 0 78 -4,-2.1 3,-1.0 3,-0.2 -1,-0.2 0.885 110.6 59.2 -69.5 -39.8 21.2 46.1 76.2 451 105 D H H 3<5S+ 0 0 93 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.862 114.8 35.7 -58.2 -39.8 18.4 45.7 78.8 452 106 D F T 3<5S- 0 0 35 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.334 110.8-116.2 -97.5 5.2 16.3 43.5 76.4 453 107 D G T < 5S+ 0 0 26 -3,-1.0 3,-0.3 -4,-0.3 -3,-0.2 0.875 70.2 138.1 61.3 40.6 19.3 41.7 74.8 454 108 D K > < + 0 0 2 -5,-2.8 3,-1.9 -6,-0.2 4,-0.3 0.058 16.8 121.5-108.3 26.9 18.5 43.2 71.4 455 109 D E G > + 0 0 57 -6,-0.3 3,-1.7 1,-0.3 4,-0.2 0.793 63.5 74.6 -58.9 -28.6 22.1 44.0 70.3 456 110 D S G > S+ 0 0 22 -229,-0.4 3,-1.8 -3,-0.3 -1,-0.3 0.776 80.3 72.3 -54.9 -29.4 21.5 41.7 67.2 457 111 D V G < S+ 0 0 18 -3,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.812 97.2 49.1 -57.1 -29.3 19.3 44.5 65.7 458 112 D Y G < 0 0 28 -3,-1.7 -1,-0.3 -4,-0.3 -2,-0.2 0.378 360.0 360.0 -96.2 5.4 22.4 46.5 65.0 459 113 D G < 0 0 66 -3,-1.8 -3,-0.2 -4,-0.2 -2,-0.1 0.410 360.0 360.0 74.3 360.0 24.3 43.6 63.3