==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-MAY-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER UNKNOWN FUNCTION 24-DEC-10 3Q4N . COMPND 2 MOLECULE: UNCHARACTERIZED PROTEIN MJ0754; . SOURCE 2 ORGANISM_SCIENTIFIC: METHANOCALDOCOCCUS JANNASCHII; . AUTHOR K.Y.HWANG,E.H.LEE . 344 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16231.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 271 78.8 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 . 10 2.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 224 65.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.5 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 0 0 0 1 1 0 0 0 0 1 1 0 0 0 0 0 0 1 0 3 0 1 2 1 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 . 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 12 A P 0 0 127 0, 0.0 2,-0.6 0, 0.0 116,-0.2 0.000 360.0 360.0 360.0 28.1 16.6 -25.2 -5.4 2 13 A I - 0 0 51 1,-0.1 114,-0.0 114,-0.1 5,-0.0 -0.788 360.0-161.3-116.5 107.2 15.5 -28.6 -6.7 3 14 A S - 0 0 45 -2,-0.6 4,-0.1 1,-0.1 -1,-0.1 0.377 29.5-124.7 -63.9-172.1 17.1 -32.1 -6.0 4 15 A E S > S+ 0 0 108 2,-0.1 4,-1.8 3,-0.1 330,-0.1 0.604 118.7 49.6-104.4 -34.4 17.0 -35.5 -7.6 5 16 A E H > S+ 0 0 33 2,-0.2 4,-1.4 1,-0.2 329,-0.1 0.973 111.3 49.4 -54.9 -61.0 15.9 -36.9 -4.3 6 17 A E H > S+ 0 0 21 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.830 109.8 53.0 -49.5 -40.3 13.2 -34.1 -4.1 7 18 A K H > S+ 0 0 63 1,-0.2 4,-2.0 2,-0.2 3,-0.2 0.968 103.4 54.1 -62.0 -56.2 12.1 -34.9 -7.6 8 19 A E H X S+ 0 0 30 -4,-1.8 4,-2.3 1,-0.2 -1,-0.2 0.788 108.2 50.0 -51.6 -39.3 11.5 -38.7 -7.1 9 20 A G H X S+ 0 0 0 -4,-1.4 4,-4.3 2,-0.2 5,-0.3 0.925 105.1 55.5 -67.9 -46.7 9.2 -38.1 -4.1 10 21 A L H X S+ 0 0 1 -4,-1.6 4,-1.2 1,-0.2 -2,-0.2 0.880 108.5 51.6 -53.8 -39.0 7.1 -35.5 -6.0 11 22 A I H >X S+ 0 0 45 -4,-2.0 4,-2.0 2,-0.2 3,-0.7 0.978 114.0 41.4 -55.9 -59.6 6.6 -38.3 -8.5 12 23 A E H 3X S+ 0 0 7 -4,-2.3 4,-3.6 1,-0.2 -2,-0.2 0.915 113.7 52.4 -57.1 -43.6 5.5 -40.8 -5.8 13 24 A M H 3X S+ 0 0 0 -4,-4.3 4,-1.3 1,-0.2 -1,-0.2 0.721 107.9 53.4 -72.3 -18.0 3.4 -38.3 -4.0 14 25 A R H > - 0 0 24 -6,-0.1 3,-2.8 1,-0.1 4,-0.7 -0.937 41.0-137.8-111.6 117.6 -21.1 -44.9 0.8 34 45 A Q H 3> S+ 0 0 118 -2,-0.6 4,-2.3 1,-0.3 -1,-0.1 0.661 97.8 71.6 -56.6 -20.7 -21.1 -41.1 0.4 35 46 A I H 3> S+ 0 0 18 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.829 93.3 53.1 -62.2 -36.9 -17.9 -40.9 2.3 36 47 A F H <> S+ 0 0 0 -3,-2.8 4,-1.9 2,-0.2 -1,-0.2 0.878 109.1 50.4 -66.3 -37.5 -15.8 -42.4 -0.5 37 48 A K H X S+ 0 0 104 -4,-0.7 4,-2.7 2,-0.2 5,-0.3 0.968 110.4 49.7 -62.2 -54.3 -17.2 -39.8 -2.9 38 49 A N H X S+ 0 0 92 -4,-2.3 4,-1.2 1,-0.2 -2,-0.2 0.920 112.4 44.9 -47.3 -56.9 -16.3 -36.9 -0.4 39 50 A I H X S+ 0 0 10 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.858 113.6 51.9 -67.2 -34.4 -12.8 -38.0 0.1 40 51 A A H X S+ 0 0 4 -4,-1.9 4,-1.3 2,-0.3 -1,-0.2 0.940 103.7 53.5 -64.8 -49.2 -12.3 -38.6 -3.6 41 52 A E H X S+ 0 0 174 -4,-2.7 4,-0.6 1,-0.2 -1,-0.2 0.790 117.5 44.9 -55.8 -21.8 -13.6 -35.1 -4.7 42 53 A S H X S+ 0 0 31 -4,-1.2 4,-1.5 -5,-0.3 -2,-0.3 0.845 107.3 52.8 -84.5 -44.8 -10.8 -34.1 -2.2 43 54 A E H X S+ 0 0 0 -4,-2.5 4,-1.4 1,-0.2 -22,-0.3 0.540 99.9 67.8 -72.0 -7.6 -8.0 -36.5 -3.3 44 55 A Q H X S+ 0 0 64 -4,-1.3 4,-1.7 -5,-0.2 -1,-0.2 0.938 102.1 43.7 -73.0 -49.3 -8.6 -35.0 -6.7 45 56 A T H X S+ 0 0 87 -4,-0.6 4,-1.5 -3,-0.2 -2,-0.2 0.827 107.6 59.6 -62.2 -33.2 -7.2 -31.7 -5.4 46 57 A H H X S+ 0 0 22 -4,-1.5 4,-1.0 1,-0.2 3,-0.4 0.937 105.8 48.9 -60.5 -42.7 -4.4 -33.5 -3.7 47 58 A M H >X S+ 0 0 0 -4,-1.4 4,-2.2 -30,-0.3 3,-0.6 0.933 109.5 53.2 -54.8 -46.7 -3.4 -34.8 -7.1 48 59 A D H 3X S+ 0 0 66 -4,-1.7 4,-2.0 1,-0.3 -1,-0.2 0.685 97.8 62.2 -73.7 -22.3 -3.6 -31.3 -8.5 49 60 A A H 3X S+ 0 0 29 -4,-1.5 4,-1.2 -3,-0.4 -1,-0.3 0.895 109.6 42.0 -66.4 -40.9 -1.3 -29.7 -5.9 50 61 A V H XX S+ 0 0 0 -4,-1.0 4,-2.1 -3,-0.6 3,-0.8 0.956 109.4 56.4 -71.8 -49.4 1.6 -31.9 -7.1 51 62 A K H 3X S+ 0 0 86 -4,-2.2 4,-2.7 1,-0.3 3,-0.3 0.901 106.4 54.9 -45.1 -42.1 0.7 -31.4 -10.8 52 63 A Y H 3X S+ 0 0 138 -4,-2.0 4,-1.9 1,-0.2 -1,-0.3 0.879 109.7 43.9 -57.3 -41.7 1.1 -27.8 -9.8 53 64 A L H << S+ 0 0 2 -4,-1.2 4,-0.4 -3,-0.8 -2,-0.2 0.615 114.3 49.8 -84.6 -13.1 4.7 -28.4 -8.5 54 65 A L H X>S+ 0 0 3 -4,-2.1 5,-2.0 -3,-0.3 4,-1.3 0.899 112.1 46.7 -81.5 -54.0 5.6 -30.6 -11.5 55 66 A E H ><5S+ 0 0 123 -4,-2.7 3,-0.9 -5,-0.2 -2,-0.2 0.953 117.3 45.3 -43.1 -56.7 4.4 -28.0 -14.0 56 67 A K T 3<5S+ 0 0 107 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.713 119.3 40.6 -69.2 -22.8 6.2 -25.4 -12.0 57 68 A Y T 345S- 0 0 31 -4,-0.4 -1,-0.2 -3,-0.3 -2,-0.2 0.358 107.1-118.6-109.9 4.6 9.4 -27.5 -11.6 58 69 A N T <<5 + 0 0 149 -4,-1.3 -3,-0.2 -3,-0.9 -4,-0.1 0.876 59.8 151.8 63.8 41.5 9.5 -29.0 -15.1 59 70 A I < - 0 0 14 -5,-2.0 -1,-0.2 -6,-0.1 -2,-0.1 -0.912 53.0-106.3-106.4 122.0 9.2 -32.5 -13.9 60 71 A P - 0 0 95 0, 0.0 -5,-0.0 0, 0.0 -1,-0.0 -0.172 35.0-121.8 -45.6 129.1 7.6 -35.1 -16.3 61 72 A D - 0 0 43 1,-0.1 3,-0.1 2,-0.1 -50,-0.1 -0.354 16.6-157.5 -59.8 151.3 4.1 -35.9 -15.1 62 73 A P S S+ 0 0 10 0, 0.0 2,-1.6 0, 0.0 10,-0.2 0.520 74.8 84.2-112.4 -12.1 3.6 -39.7 -14.4 63 74 A V + 0 0 16 1,-0.2 3,-0.2 8,-0.1 -2,-0.1 -0.729 46.3 155.0 -85.6 85.5 -0.2 -39.9 -14.8 64 75 A K S S+ 0 0 158 -2,-1.6 2,-0.2 1,-0.3 -1,-0.2 0.122 74.4 41.1 -95.9 17.6 -0.1 -40.2 -18.5 65 76 A N - 0 0 82 5,-0.2 -1,-0.3 2,-0.1 5,-0.2 -0.746 69.5-165.8-162.1 104.6 -3.4 -41.9 -18.2 66 77 A D + 0 0 89 -2,-0.2 3,-0.1 -3,-0.2 4,-0.1 0.629 52.6 121.1 -72.7 -13.2 -5.8 -40.3 -15.7 67 78 A S S > S- 0 0 70 1,-0.1 3,-1.2 2,-0.1 -2,-0.1 -0.057 76.4 -83.1 -50.7 148.9 -8.0 -43.4 -15.9 68 79 A I T 3 S+ 0 0 79 1,-0.2 -1,-0.1 -46,-0.1 3,-0.1 -0.198 107.8 7.4 -50.0 135.7 -8.8 -45.4 -12.7 69 80 A G T 3 S+ 0 0 18 1,-0.2 2,-0.5 -51,-0.2 -1,-0.2 0.612 91.8 127.7 71.5 18.8 -6.2 -48.0 -11.7 70 81 A V < + 0 0 54 -3,-1.2 2,-0.4 -5,-0.2 -1,-0.2 -0.928 33.4 175.0-114.4 130.4 -3.5 -47.0 -14.2 71 82 A F - 0 0 23 -2,-0.5 -8,-0.1 1,-0.2 -5,-0.0 -0.985 42.6-153.1-142.5 143.7 0.0 -46.3 -13.0 72 83 A S S S+ 0 0 67 -2,-0.4 -1,-0.2 -10,-0.2 -9,-0.1 0.978 95.8 60.8 -62.4 -67.0 3.6 -45.5 -13.9 73 84 A N S >> S- 0 0 23 1,-0.2 4,-2.4 4,-0.0 3,-1.1 -0.497 74.5-152.7 -67.4 115.8 4.9 -47.1 -10.7 74 85 A P H 3> S+ 0 0 72 0, 0.0 4,-1.0 0, 0.0 -1,-0.2 0.364 91.7 78.0 -72.4 9.0 3.9 -50.8 -10.6 75 86 A K H 3> S+ 0 0 57 2,-0.2 4,-1.7 3,-0.1 -2,-0.0 0.886 107.3 28.1 -74.6 -44.8 4.1 -50.2 -6.8 76 87 A F H <> S+ 0 0 4 -3,-1.1 4,-2.3 2,-0.2 5,-0.3 0.838 114.1 63.6 -84.0 -38.3 0.8 -48.5 -7.1 77 88 A E H X S+ 0 0 57 -4,-2.4 4,-1.0 1,-0.2 -2,-0.2 0.941 113.4 38.6 -46.5 -44.1 -0.2 -50.6 -10.1 78 89 A E H X S+ 0 0 113 -4,-1.0 4,-1.7 2,-0.2 -2,-0.2 0.890 110.8 57.2 -78.3 -37.3 0.1 -53.5 -7.6 79 90 A L H X S+ 0 0 37 -4,-1.7 4,-3.0 1,-0.2 5,-0.2 0.943 103.2 53.2 -60.3 -51.0 -1.4 -51.8 -4.5 80 91 A Y H X S+ 0 0 37 -4,-2.3 4,-2.4 1,-0.2 5,-0.5 0.912 105.7 53.7 -46.1 -53.1 -4.7 -50.9 -6.2 81 92 A K H X S+ 0 0 122 -4,-1.0 4,-1.5 -5,-0.3 -1,-0.2 0.930 116.4 40.3 -49.6 -50.8 -5.3 -54.6 -7.3 82 93 A K H X S+ 0 0 112 -4,-1.7 4,-2.9 2,-0.2 5,-0.3 0.968 115.4 47.8 -63.5 -60.3 -4.8 -55.6 -3.6 83 94 A L H X S+ 0 0 12 -4,-3.0 4,-4.2 1,-0.2 5,-0.2 0.888 115.4 42.5 -51.0 -50.6 -6.7 -52.8 -1.8 84 95 A V H X S+ 0 0 24 -4,-2.4 4,-2.5 -5,-0.2 -1,-0.2 0.909 113.0 53.4 -68.4 -41.1 -9.8 -52.9 -3.9 85 96 A E H X S+ 0 0 129 -4,-1.5 4,-0.6 -5,-0.5 -2,-0.2 0.959 117.8 37.5 -56.7 -50.9 -9.9 -56.7 -3.9 86 97 A K H >< S+ 0 0 79 -4,-2.9 3,-1.0 1,-0.2 4,-0.5 0.903 116.0 52.0 -68.3 -44.1 -9.7 -56.6 -0.1 87 98 A G H >< S+ 0 0 0 -4,-4.2 7,-0.6 -5,-0.3 3,-0.6 0.820 102.3 65.4 -58.5 -29.1 -12.0 -53.6 0.2 88 99 A D H 3< S+ 0 0 66 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.771 83.8 70.7 -68.9 -27.1 -14.4 -55.5 -2.0 89 100 A K T << S- 0 0 139 -3,-1.0 2,-0.3 -4,-0.6 -1,-0.2 0.830 113.8 -13.4 -63.8 -34.1 -15.2 -58.3 0.5 90 101 A S <> - 0 0 35 -3,-0.6 4,-2.6 -4,-0.5 -1,-0.1 -0.990 61.5-106.0-158.2 170.1 -17.2 -56.0 2.9 91 102 A E H > S+ 0 0 68 -2,-0.3 4,-3.4 2,-0.2 5,-0.2 0.888 121.6 49.9 -62.3 -42.4 -18.1 -52.5 3.9 92 103 A V H > S+ 0 0 37 2,-0.2 4,-3.5 1,-0.2 -1,-0.2 0.961 109.2 51.2 -64.0 -48.5 -15.9 -52.7 6.9 93 104 A D H > S+ 0 0 43 2,-0.2 4,-3.8 1,-0.2 -2,-0.2 0.916 111.6 48.7 -52.7 -46.6 -13.0 -54.0 4.8 94 105 A A H X S+ 0 0 0 -4,-2.6 4,-3.0 -7,-0.6 -2,-0.2 0.971 113.8 45.1 -55.8 -55.9 -13.6 -51.0 2.5 95 106 A L H X S+ 0 0 0 -4,-3.4 4,-1.9 2,-0.2 -2,-0.2 0.833 113.4 51.3 -58.5 -32.6 -13.6 -48.6 5.5 96 107 A K H X S+ 0 0 58 -4,-3.5 4,-3.1 2,-0.2 3,-0.5 0.994 108.6 50.7 -65.6 -59.1 -10.6 -50.4 6.8 97 108 A V H X S+ 0 0 0 -4,-3.8 4,-2.9 1,-0.2 -2,-0.2 0.888 107.7 55.0 -37.1 -51.4 -8.9 -50.0 3.4 98 109 A G H X S+ 0 0 0 -4,-3.0 4,-2.2 1,-0.3 5,-0.2 0.919 111.6 41.9 -56.5 -47.2 -9.8 -46.2 3.6 99 110 A A H X S+ 0 0 0 -4,-1.9 4,-2.6 -3,-0.5 -1,-0.3 0.907 111.8 57.1 -62.6 -40.6 -8.1 -45.9 6.9 100 111 A T H X S+ 0 0 12 -4,-3.1 4,-3.1 2,-0.2 5,-0.2 0.897 108.8 47.2 -60.1 -39.6 -5.2 -48.0 5.7 101 112 A I H X S+ 0 0 9 -4,-2.9 4,-3.4 -5,-0.2 5,-0.2 0.994 114.0 42.3 -66.2 -60.2 -4.7 -45.6 2.8 102 113 A E H X S+ 0 0 0 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.836 116.0 55.9 -55.5 -31.5 -4.8 -42.4 4.8 103 114 A D H X S+ 0 0 0 -4,-2.6 4,-1.7 -5,-0.2 3,-0.4 0.992 112.3 36.7 -61.4 -65.7 -2.6 -44.3 7.3 104 115 A L H X S+ 0 0 29 -4,-3.1 4,-1.7 1,-0.2 -2,-0.2 0.923 114.8 59.9 -53.5 -48.0 0.1 -45.3 4.8 105 116 A D H X S+ 0 0 0 -4,-3.4 4,-2.0 -5,-0.2 -1,-0.2 0.846 104.5 45.7 -48.3 -50.2 -0.2 -41.9 3.1 106 117 A I H X S+ 0 0 0 -4,-2.0 4,-2.9 -3,-0.4 5,-0.3 0.934 114.2 47.3 -63.2 -50.2 0.6 -39.8 6.2 107 118 A A H X S+ 0 0 22 -4,-1.7 4,-0.8 1,-0.2 -1,-0.2 0.744 114.0 51.4 -65.5 -22.7 3.6 -41.9 7.2 108 119 A D H X S+ 0 0 20 -4,-1.7 4,-1.3 -5,-0.3 -2,-0.2 0.805 110.2 46.6 -79.2 -34.3 4.6 -41.6 3.6 109 120 A L H X S+ 0 0 0 -4,-2.0 4,-2.9 2,-0.2 -2,-0.2 0.897 110.4 52.4 -73.1 -41.6 4.3 -37.8 3.5 110 121 A E H X S+ 0 0 50 -4,-2.9 4,-0.6 1,-0.2 -1,-0.2 0.868 105.1 58.9 -58.7 -38.0 6.2 -37.4 6.7 111 122 A K H X S+ 0 0 45 -4,-0.8 4,-0.7 -5,-0.3 3,-0.4 0.906 114.7 33.3 -57.4 -47.1 8.9 -39.5 5.0 112 123 A W H < S+ 0 0 6 -4,-1.3 4,-0.5 1,-0.2 -2,-0.2 0.792 102.2 74.3 -83.0 -31.6 9.3 -37.1 2.2 113 124 A I H < S+ 0 0 13 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.723 104.2 44.5 -52.4 -20.2 8.6 -33.9 4.2 114 125 A N H < S+ 0 0 68 -4,-0.6 -1,-0.2 -3,-0.4 -2,-0.2 0.830 99.3 65.4 -93.8 -37.9 12.1 -34.5 5.6 115 126 A K S < S+ 0 0 52 -4,-0.7 2,-0.3 -3,-0.1 -109,-0.2 0.376 103.5 59.8 -67.9 3.8 14.0 -35.4 2.4 116 127 A T + 0 0 4 -4,-0.5 -114,-0.1 -3,-0.1 3,-0.0 -0.879 42.7 176.1-127.0 159.6 13.4 -31.8 1.2 117 128 A D + 0 0 118 -2,-0.3 2,-0.3 -116,-0.2 -1,-0.1 0.371 52.7 117.1-130.3 -17.0 14.1 -28.2 2.3 118 129 A N > - 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0 0 29 -6,-0.3 3,-2.0 1,-0.1 4,-0.9 -0.706 39.6-137.5 -82.1 121.8 23.6 -70.1 3.0 210 45 B Q H 3> S+ 0 0 101 -2,-0.5 4,-2.8 1,-0.3 3,-0.3 0.775 98.4 67.0 -49.7 -40.1 26.4 -68.6 5.1 211 46 B I H 3> S+ 0 0 12 1,-0.2 4,-2.8 2,-0.2 -1,-0.3 0.831 96.4 54.8 -50.0 -39.7 25.1 -65.1 4.7 212 47 B F H <> S+ 0 0 0 -3,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.906 110.2 46.4 -67.0 -41.5 22.1 -66.0 6.8 213 48 B K H >X S+ 0 0 88 -4,-0.9 4,-2.0 -3,-0.3 3,-0.5 0.995 114.3 47.3 -55.5 -62.9 24.3 -67.2 9.6 214 49 B N H 3X S+ 0 0 86 -4,-2.8 4,-1.0 1,-0.3 -2,-0.2 0.841 115.8 43.0 -54.9 -40.1 26.6 -64.2 9.4 215 50 B I H 3X S+ 0 0 9 -4,-2.8 4,-3.2 2,-0.2 -1,-0.3 0.791 107.9 58.2 -82.6 -25.8 23.8 -61.6 9.4 216 51 B A H X S+ 0 0 0 -4,-1.7 4,-2.1 -3,-0.3 3,-0.8 0.984 111.2 45.7 -56.0 -58.0 19.1 -56.8 19.3 224 59 B D H 3X S+ 0 0 86 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.900 106.8 58.5 -53.1 -49.9 21.5 -56.4 22.2 225 60 B A H 3< S+ 0 0 36 -4,-2.7 4,-0.4 1,-0.2 -1,-0.2 0.813 109.4 43.9 -52.3 -36.6 22.4 -52.7 21.4 226 61 B V H XX S+ 0 0 0 -4,-1.2 3,-1.7 -3,-0.8 4,-1.5 0.899 106.2 59.6 -80.8 -41.7 18.7 -51.7 21.7 227 62 B K H >X S+ 0 0 76 -4,-2.1 4,-2.2 1,-0.3 3,-0.6 0.904 96.9 64.8 -46.9 -45.3 18.3 -53.7 24.8 228 63 B Y H 3X S+ 0 0 83 -4,-2.4 4,-2.0 1,-0.2 -1,-0.3 0.768 105.0 44.0 -45.6 -36.1 21.0 -51.4 26.2 229 64 B L H <> S+ 0 0 2 -3,-1.7 4,-1.6 -4,-0.4 -1,-0.2 0.726 107.8 55.1 -88.1 -27.3 18.6 -48.4 25.8 230 65 B L H S+ 0 0 6 -4,-1.5 5,-1.3 -3,-0.6 4,-0.5 0.859 114.6 43.5 -71.4 -35.0 15.6 -50.1 27.3 231 66 B E H ><5S+ 0 0 135 -4,-2.2 3,-0.8 -5,-0.2 -2,-0.2 0.951 112.6 50.8 -69.9 -51.9 17.8 -50.8 30.3 232 67 B K H 3<5S+ 0 0 33 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.787 123.1 30.8 -58.9 -31.9 19.3 -47.3 30.4 233 68 B Y H 3<5S- 0 0 18 -4,-1.6 -1,-0.3 2,-0.1 -2,-0.2 0.358 108.9-121.7-112.8 2.0 15.9 -45.6 30.2 234 69 B N T <<5 + 0 0 143 -3,-0.8 -3,-0.2 -4,-0.5 -4,-0.1 0.962 49.0 157.3 54.5 89.6 13.9 -48.3 32.0 235 70 B I < - 0 0 10 -5,-1.3 2,-0.2 -49,-0.0 -1,-0.2 -0.978 52.4-100.0-143.5 126.3 11.2 -49.4 29.7 236 71 B P - 0 0 106 0, 0.0 -5,-0.0 0, 0.0 -49,-0.0 -0.309 45.4-123.5 -56.1 113.4 9.4 -52.8 30.0 237 72 B D - 0 0 29 -2,-0.2 -50,-0.1 1,-0.1 -10,-0.0 -0.295 11.8-150.0 -57.3 133.9 11.1 -55.0 27.3 238 73 B P S S+ 0 0 10 0, 0.0 2,-2.2 0, 0.0 3,-0.3 0.778 79.5 84.3 -81.1 -27.2 8.8 -56.5 24.7 239 74 B V + 0 0 17 1,-0.2 3,-0.1 8,-0.1 -2,-0.1 -0.496 46.7 147.1 -76.3 73.7 10.9 -59.7 24.0 240 75 B K + 0 0 172 -2,-2.2 2,-0.7 1,-0.2 -1,-0.2 0.985 69.5 42.5 -68.4 -61.4 9.5 -61.7 27.0 241 76 B N S S- 0 0 86 -3,-0.3 -1,-0.2 1,-0.1 5,-0.1 -0.780 71.7-164.0 -88.7 114.6 9.8 -65.0 25.1 242 77 B D + 0 0 95 -2,-0.7 4,-0.1 -3,-0.1 3,-0.1 0.745 46.1 124.7 -67.8 -25.1 13.2 -65.2 23.2 243 78 B S S > S- 0 0 64 1,-0.1 3,-1.5 2,-0.1 -45,-0.1 0.192 73.7 -85.2 -43.9 154.3 12.1 -68.2 21.0 244 79 B I T 3 S+ 0 0 86 1,-0.2 -1,-0.1 -46,-0.1 3,-0.1 -0.351 110.0 8.5 -60.1 131.7 12.3 -68.0 17.3 245 80 B G T 3 S+ 0 0 13 1,-0.2 2,-0.5 -51,-0.2 -1,-0.2 0.550 94.2 125.4 78.4 10.9 9.2 -66.5 15.7 246 81 B V < + 0 0 45 -3,-1.5 2,-0.3 -4,-0.1 -1,-0.2 -0.897 31.5 166.8-108.2 130.0 7.5 -65.3 18.9 247 82 B F - 0 0 13 -2,-0.5 6,-0.1 1,-0.2 -8,-0.1 -0.999 39.3-145.3-146.4 138.1 6.5 -61.6 19.2 248 83 B S S S+ 0 0 67 -2,-0.3 -1,-0.2 -10,-0.2 5,-0.1 0.986 94.5 60.4 -51.5 -83.5 4.4 -59.3 21.4 249 84 B N S >> S- 0 0 41 1,-0.2 3,-2.8 2,-0.1 4,-0.7 -0.308 78.3-149.7 -57.3 111.1 3.3 -57.0 18.6 250 85 B P H 3> S+ 0 0 75 0, 0.0 4,-3.0 0, 0.0 5,-0.4 0.745 89.6 81.8 -60.2 -24.8 1.4 -59.2 16.1 251 86 B K H 3> S+ 0 0 53 1,-0.2 4,-1.8 2,-0.2 -2,-0.1 0.806 100.3 40.9 -41.7 -31.8 2.5 -56.9 13.3 252 87 B F H <> S+ 0 0 1 -3,-2.8 4,-3.4 2,-0.2 -1,-0.2 0.820 105.9 57.0 -95.4 -36.3 5.6 -59.1 13.6 253 88 B E H X S+ 0 0 71 -4,-0.7 4,-2.0 2,-0.2 -2,-0.2 0.942 117.5 41.5 -54.1 -44.2 4.2 -62.5 14.1 254 89 B E H X S+ 0 0 136 -4,-3.0 4,-2.4 2,-0.2 3,-0.4 0.980 113.6 49.3 -67.7 -58.2 2.5 -61.8 10.8 255 90 B L H X S+ 0 0 36 -4,-1.8 4,-1.5 -5,-0.4 -1,-0.2 0.879 112.0 51.7 -53.1 -39.2 5.4 -60.1 9.2 256 91 B Y H X S+ 0 0 28 -4,-3.4 4,-2.6 2,-0.2 5,-0.3 0.906 110.7 45.9 -62.1 -45.8 7.5 -63.1 10.2 257 92 B K H X S+ 0 0 130 -4,-2.0 4,-2.6 -3,-0.4 -2,-0.2 0.963 110.6 50.9 -66.5 -50.9 5.2 -65.7 8.8 258 93 B K H X S+ 0 0 108 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.847 113.7 49.3 -53.2 -34.2 4.6 -64.0 5.4 259 94 B L H X S+ 0 0 10 -4,-1.5 4,-2.7 -5,-0.4 5,-0.2 0.972 111.1 43.0 -77.2 -54.4 8.4 -63.7 5.1 260 95 B V H X S+ 0 0 24 -4,-2.6 4,-1.6 1,-0.2 -1,-0.2 0.856 111.2 62.9 -56.1 -30.5 9.4 -67.2 5.9 261 96 B E H < S+ 0 0 138 -4,-2.6 -2,-0.2 -5,-0.3 -1,-0.2 0.956 111.0 34.2 -58.5 -54.3 6.4 -68.0 3.6 262 97 B K H >< S+ 0 0 119 -4,-2.1 3,-2.0 1,-0.2 4,-0.4 0.978 118.7 50.6 -60.7 -58.0 8.1 -66.4 0.6 263 98 B G H 3< S+ 0 0 0 -4,-2.7 7,-0.7 1,-0.3 -1,-0.2 0.602 96.4 68.3 -66.8 -14.2 11.7 -67.3 1.4 264 99 B D T 3< S+ 0 0 76 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.1 0.402 90.9 69.1 -82.9 3.2 11.0 -71.0 1.9 265 100 B K S < S- 0 0 138 -3,-2.0 2,-0.3 1,-0.3 -1,-0.2 0.874 109.9 -8.8 -92.1 -45.0 10.3 -71.2 -1.8 266 101 B S > - 0 0 38 -4,-0.4 4,-3.0 -3,-0.2 -1,-0.3 -0.995 57.2-114.6-148.2 155.8 13.7 -70.7 -3.4 267 102 B E H > S+ 0 0 75 -2,-0.3 4,-2.6 2,-0.2 5,-0.2 0.950 122.9 51.9 -42.4 -56.5 17.3 -69.7 -2.7 268 103 B V H > S+ 0 0 42 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.889 111.8 48.9 -53.7 -36.1 16.6 -66.6 -4.9 269 104 B D H > S+ 0 0 43 2,-0.2 4,-3.3 1,-0.2 5,-0.3 0.981 106.4 52.2 -67.3 -60.5 13.5 -66.0 -2.6 270 105 B A H X S+ 0 0 0 -4,-3.0 4,-2.1 -7,-0.7 -2,-0.2 0.905 113.0 49.0 -31.4 -56.2 15.4 -66.4 0.7 271 106 B L H X S+ 0 0 0 -4,-2.6 4,-2.1 -5,-0.2 -1,-0.2 0.887 110.4 48.1 -57.9 -46.2 17.8 -63.8 -0.7 272 107 B K H X S+ 0 0 71 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.906 109.2 53.8 -63.9 -43.1 15.0 -61.4 -1.8 273 108 B V H X S+ 0 0 6 -4,-3.3 4,-1.8 2,-0.2 -2,-0.2 0.926 107.6 52.5 -54.2 -47.4 13.3 -61.7 1.6 274 109 B G H >X S+ 0 0 0 -4,-2.1 4,-1.8 -5,-0.3 3,-1.5 0.980 109.0 47.2 -50.1 -67.3 16.6 -60.7 3.2 275 110 B A H 3X S+ 0 0 0 -4,-2.1 4,-1.7 1,-0.3 -1,-0.2 0.833 111.2 55.5 -38.4 -43.2 17.0 -57.6 1.0 276 111 B T H 3X S+ 0 0 28 -4,-2.2 4,-2.2 1,-0.2 -1,-0.3 0.778 102.9 51.3 -71.0 -33.3 13.4 -56.8 1.9 277 112 B I H < S+ 0 0 20 -4,-2.9 3,-1.7 -5,-0.2 -2,-0.2 0.951 106.8 55.1 -54.2 -49.6 15.3 -41.1 13.7 290 125 B N H 3< S+ 0 0 74 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.752 100.4 60.4 -57.0 -28.5 13.2 -38.3 12.2 291 126 B K T 3< S+ 0 0 44 -4,-0.7 2,-0.3 -3,-0.4 -1,-0.3 0.064 105.3 57.0 -88.7 24.9 10.8 -38.6 15.1 292 127 B T < - 0 0 10 -3,-1.7 -1,-0.0 1,-0.1 -4,-0.0 -0.983 39.1-175.6-157.8 148.5 13.5 -37.7 17.8 293 128 B D + 0 0 135 -2,-0.3 2,-1.0 -116,-0.2 -1,-0.1 0.049 50.3 126.3-123.4 26.6 16.2 -35.5 19.3 294 129 B N > - 0 0 1 1,-0.2 4,-2.4 -118,-0.1 5,-0.2 -0.742 54.4-150.0 -74.9 104.9 17.3 -37.7 22.1 295 130 B E H > S+ 0 0 114 -2,-1.0 4,-1.2 1,-0.2 -1,-0.2 0.705 90.6 52.0 -56.5 -22.7 21.0 -37.7 21.2 296 131 B D H > S+ 0 0 13 2,-0.2 4,-1.9 3,-0.1 -1,-0.2 0.971 111.6 43.3 -71.1 -62.8 21.5 -41.3 22.7 297 132 B I H >> S+ 0 0 2 1,-0.2 4,-2.4 2,-0.2 3,-0.7 0.941 111.4 57.2 -42.4 -58.7 18.7 -43.0 20.7 298 133 B K H 3X S+ 0 0 57 -4,-2.4 4,-2.4 1,-0.3 -1,-0.2 0.856 105.8 49.8 -44.7 -49.1 19.8 -41.0 17.6 299 134 B F H 3X S+ 0 0 127 -4,-1.2 4,-1.7 -5,-0.2 -1,-0.3 0.851 110.6 48.5 -62.3 -40.6 23.3 -42.5 17.8 300 135 B V H <>S+ 0 0 0 -4,-2.3 5,-1.8 2,-0.2 3,-1.6 0.924 104.5 53.3 -66.2 -46.1 21.6 -61.7 -5.6 320 155 B N H ><5S+ 0 0 64 -4,-2.5 3,-2.3 1,-0.3 -2,-0.2 0.878 100.8 61.6 -52.6 -43.6 23.8 -60.8 -8.5 321 156 B N T 3<5S+ 0 0 99 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.697 106.3 46.4 -55.9 -21.5 25.6 -64.1 -8.0 322 157 B Y T < 5S- 0 0 84 -3,-1.6 -1,-0.3 -4,-0.4 -2,-0.2 0.007 123.4-107.2-108.5 25.4 22.2 -65.7 -8.8 323 158 B G T < 5S+ 0 0 78 -3,-2.3 2,-0.3 1,-0.2 -3,-0.2 0.854 84.6 111.0 50.7 42.6 21.6 -63.4 -11.8 324 159 B S < - 0 0 27 -5,-1.8 -1,-0.2 -8,-0.2 2,-0.2 -0.820 45.3-165.2-132.4 173.2 19.0 -61.4 -10.0 325 160 B N - 0 0 107 -2,-0.3 2,-0.3 -3,-0.1 -8,-0.0 -0.608 13.6-124.6-137.2-161.1 18.6 -57.8 -8.7 326 161 B Y - 0 0 22 -2,-0.2 -10,-0.0 -51,-0.0 -54,-0.0 -0.977 3.0-149.6-154.6 144.2 16.3 -55.8 -6.3 327 162 B T - 0 0 83 -2,-0.3 6,-0.1 9,-0.0 -2,-0.0 -0.978 30.9-114.7-116.6 129.7 14.1 -52.7 -6.3 328 163 B P + 0 0 13 0, 0.0 5,-0.1 0, 0.0 -52,-0.1 -0.075 29.5 178.4 -45.9 148.6 13.5 -50.7 -3.1 329 164 B Q S S+ 0 0 77 -53,-0.1 4,-0.1 3,-0.1 3,-0.1 0.514 81.9 20.8-126.9 -25.7 10.0 -50.6 -1.8 330 165 B Y S S+ 0 0 78 2,-0.1 2,-0.2 -54,-0.0 3,-0.1 0.692 116.8 58.2-122.0 -38.4 10.4 -48.5 1.3 331 166 B I S S- 0 0 7 1,-0.2 -48,-0.1 2,-0.0 -52,-0.0 -0.556 98.8 -87.1 -88.5 163.9 13.6 -46.6 0.8 332 167 B S > - 0 0 4 -2,-0.2 4,-1.5 1,-0.1 -1,-0.2 -0.143 21.0-130.7 -61.2 162.1 14.0 -44.2 -2.2 333 168 B K H > S+ 0 0 83 2,-0.2 4,-2.2 3,-0.1 5,-0.3 0.912 112.9 58.7 -66.7 -48.6 15.3 -45.5 -5.5 334 169 B E H > S+ 0 0 54 1,-0.2 4,-0.9 2,-0.2 -1,-0.1 0.741 110.9 39.2 -52.9 -30.8 17.6 -42.5 -5.2 335 170 B E H > S+ 0 0 27 2,-0.2 4,-2.3 3,-0.1 -1,-0.2 0.902 108.6 59.3 -87.0 -47.8 19.1 -43.7 -1.9 336 171 B Y H X S+ 0 0 13 -4,-1.5 4,-2.1 1,-0.2 -2,-0.2 0.870 107.5 49.3 -39.0 -51.2 19.2 -47.5 -2.8 337 172 B E H X S+ 0 0 83 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.919 110.2 48.6 -60.4 -50.0 21.5 -46.6 -5.7 338 173 B E H < S+ 0 0 117 -4,-0.9 -1,-0.2 -5,-0.3 -2,-0.2 0.802 110.8 54.1 -62.8 -30.4 23.8 -44.5 -3.6 339 174 B I H >< S+ 0 0 5 -4,-2.3 3,-0.6 1,-0.1 -2,-0.2 0.931 113.1 39.7 -66.0 -49.0 23.9 -47.4 -1.0 340 175 B I H 3< S+ 0 0 59 -4,-2.1 2,-0.7 1,-0.2 -2,-0.2 0.845 105.9 62.9 -76.4 -33.3 25.0 -50.0 -3.5 341 176 B S T 3< S+ 0 0 98 -4,-2.4 2,-0.3 -5,-0.2 -1,-0.2 -0.143 99.8 65.9 -89.2 42.8 27.5 -48.0 -5.5 342 177 B S S < S- 0 0 60 -2,-0.7 2,-0.1 -3,-0.6 3,-0.1 -0.941 82.9-108.3-151.1 165.4 29.7 -47.5 -2.5 343 178 B S - 0 0 105 -2,-0.3 2,-0.1 1,-0.1 -2,-0.0 -0.377 47.8 -56.8-103.8 178.3 31.7 -49.9 -0.3 344 179 B T 0 0 101 -2,-0.1 -1,-0.1 1,-0.1 -34,-0.0 -0.236 360.0 360.0 -61.4 127.4 31.6 -51.5 3.2 345 180 B E 0 0 94 -39,-0.2 -1,-0.1 -3,-0.1 -35,-0.0 -0.496 360.0 360.0 -82.4 360.0 31.5 -49.0 6.1