==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 29-JAN-04 1S7O . COMPND 2 MOLECULE: HYPOTHETICAL UPF0122 PROTEIN . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS PYOGENES SEROTYPE M3; . AUTHOR V.OGANESYAN,R.PUFAN,A.DEGIOVANNI,H.YOKOTA,R.KIM,S.-H.KIM,BER . 319 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19494.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 237 74.3 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 . 4 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 4.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 210 65.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 2.2 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 0 0 0 0 3 0 3 1 2 1 1 1 0 0 3 0 0 0 3 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 . 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 7 A E 0 0 121 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 81.4 52.4 40.4 50.3 2 8 A K + 0 0 116 27,-0.0 2,-0.3 4,-0.0 3,-0.1 -0.972 360.0 173.1-148.7 129.6 54.6 37.8 48.6 3 9 A T > - 0 0 79 -2,-0.3 4,-2.6 1,-0.1 5,-0.2 -0.973 39.7-119.6-138.9 156.9 53.5 34.7 46.6 4 10 A N H > S+ 0 0 138 -2,-0.3 4,-2.8 2,-0.2 5,-0.1 0.904 112.4 50.2 -63.8 -41.3 55.2 32.0 44.5 5 11 A R H > S+ 0 0 90 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.964 113.8 44.4 -59.5 -51.7 53.3 32.9 41.3 6 12 A M H > S+ 0 0 20 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.889 112.1 52.9 -64.2 -37.4 54.1 36.6 41.6 7 13 A N H X S+ 0 0 36 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.956 112.1 47.2 -58.9 -47.2 57.7 35.8 42.4 8 14 A A H X S+ 0 0 17 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.906 108.4 53.1 -62.5 -39.9 57.7 33.7 39.3 9 15 A L H X S+ 0 0 0 -4,-3.0 4,-2.1 1,-0.2 -1,-0.2 0.875 109.4 51.1 -64.5 -35.0 56.1 36.4 37.2 10 16 A F H X S+ 0 0 15 -4,-2.2 4,-2.0 -5,-0.2 -1,-0.2 0.906 110.2 47.9 -65.4 -38.4 58.9 38.7 38.4 11 17 A E H < S+ 0 0 146 -4,-2.1 4,-0.3 1,-0.2 -2,-0.2 0.914 115.2 45.7 -71.6 -38.4 61.5 36.1 37.4 12 18 A F H < S+ 0 0 63 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.852 127.6 23.1 -67.7 -40.2 60.0 35.6 33.9 13 19 A Y H >< S+ 0 0 3 -4,-2.1 3,-3.1 -5,-0.2 4,-0.5 0.475 84.1 105.8-114.2 -4.4 59.4 39.3 33.0 14 20 A A G >< S+ 0 0 14 -4,-2.0 3,-1.9 1,-0.3 -1,-0.1 0.839 76.7 63.4 -44.3 -41.1 61.8 41.4 35.1 15 21 A A G 3 S+ 0 0 104 -4,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.630 97.7 58.0 -65.5 -7.8 63.9 42.0 32.0 16 22 A L G < S+ 0 0 88 -3,-3.1 -1,-0.3 2,-0.1 -2,-0.2 0.648 88.7 98.0 -93.2 -16.3 61.0 43.9 30.5 17 23 A L S < S- 0 0 19 -3,-1.9 2,-0.1 -4,-0.5 39,-0.0 -0.283 72.9-121.5 -72.5 152.6 60.7 46.4 33.3 18 24 A T > - 0 0 69 1,-0.1 4,-2.2 -2,-0.1 5,-0.1 -0.429 33.8-102.9 -81.6 170.2 62.1 49.9 33.3 19 25 A D H > S+ 0 0 135 1,-0.2 4,-2.4 2,-0.2 -1,-0.1 0.928 123.3 49.2 -57.0 -51.3 64.6 51.0 36.1 20 26 A K H 4 S+ 0 0 177 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.864 113.8 45.2 -58.7 -41.6 61.9 52.9 37.9 21 27 A Q H 4 S+ 0 0 49 1,-0.1 4,-0.5 2,-0.1 -1,-0.2 0.814 117.7 47.4 -69.3 -30.9 59.5 49.9 37.8 22 28 A M H X S+ 0 0 41 -4,-2.2 4,-2.7 2,-0.1 5,-0.3 0.873 89.3 76.1 -78.2 -48.2 62.2 47.5 38.8 23 29 A N H X S+ 0 0 63 -4,-2.4 4,-2.0 1,-0.2 5,-0.2 0.851 100.4 35.5 -39.1 -64.5 64.1 49.0 41.8 24 30 A Y H > S+ 0 0 36 -4,-0.4 4,-2.3 1,-0.2 -1,-0.2 0.947 119.1 47.3 -61.3 -49.6 61.8 48.4 44.7 25 31 A I H > S+ 0 0 0 -4,-0.5 4,-3.5 1,-0.2 5,-0.3 0.871 110.1 54.1 -67.2 -33.3 60.3 45.1 43.6 26 32 A E H X>S+ 0 0 86 -4,-2.7 4,-2.5 1,-0.2 5,-1.0 0.922 108.7 48.8 -62.9 -45.8 63.8 43.7 42.9 27 33 A L H X>S+ 0 0 20 -4,-2.0 6,-2.2 -5,-0.3 5,-0.8 0.895 115.8 45.2 -61.3 -38.9 65.0 44.6 46.4 28 34 A Y H <5S+ 0 0 31 -4,-2.3 -2,-0.2 4,-0.2 4,-0.2 0.967 123.2 31.4 -72.0 -49.9 61.9 42.9 47.8 29 35 A Y H <5S+ 0 0 16 -4,-3.5 -3,-0.2 -5,-0.1 -2,-0.2 0.903 132.8 23.7 -78.2 -40.2 61.9 39.7 45.7 30 36 A A H <5S+ 0 0 72 -4,-2.5 -3,-0.2 -5,-0.3 -2,-0.1 0.742 130.9 32.8-101.0 -27.0 65.6 39.1 45.1 31 37 A D T < - 0 0 48 -2,-0.2 4,-2.4 1,-0.1 5,-0.2 -0.422 32.3-104.1 -80.6 169.4 61.1 44.3 53.8 35 41 A L H > S+ 0 0 17 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.851 124.0 55.2 -64.1 -31.9 59.1 47.3 52.6 36 42 A A H > S+ 0 0 35 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.939 106.5 49.3 -65.9 -47.2 60.3 49.2 55.6 37 43 A E H > S+ 0 0 96 2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.949 111.8 49.2 -57.9 -45.4 63.9 48.5 54.7 38 44 A I H X S+ 0 0 0 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.922 111.9 48.7 -60.9 -41.8 63.3 49.7 51.2 39 45 A A H X>S+ 0 0 3 -4,-2.5 5,-1.9 2,-0.2 4,-1.2 0.905 112.3 48.5 -65.5 -39.2 61.6 52.8 52.4 40 46 A D H ><5S+ 0 0 129 -4,-2.9 3,-0.9 1,-0.2 -2,-0.2 0.969 108.2 53.2 -67.4 -47.2 64.4 53.5 54.8 41 47 A E H 3<5S+ 0 0 110 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.874 119.2 36.1 -51.7 -38.1 67.1 53.0 52.1 42 48 A F H 3<5S- 0 0 68 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.477 105.3-121.9-101.5 -2.0 65.3 55.5 49.8 43 49 A G T <<5S+ 0 0 71 -4,-1.2 2,-0.2 -3,-0.9 -3,-0.2 0.854 73.1 119.7 67.4 32.1 64.1 58.0 52.4 44 50 A V < - 0 0 53 -5,-1.9 -1,-0.2 -6,-0.2 -2,-0.1 -0.711 68.1 -82.8-121.3 172.4 60.5 57.5 51.4 45 51 A S > - 0 0 68 -2,-0.2 4,-1.4 1,-0.1 5,-0.1 -0.337 29.8-122.5 -75.7 161.2 57.3 56.3 53.0 46 52 A R H > S+ 0 0 150 2,-0.2 4,-2.4 1,-0.2 5,-0.1 0.873 114.0 52.1 -68.9 -36.4 56.3 52.7 53.5 47 53 A Q H > S+ 0 0 134 1,-0.2 4,-3.7 2,-0.2 5,-0.2 0.933 104.5 57.6 -65.7 -42.7 53.1 53.2 51.6 48 54 A A H > S+ 0 0 38 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.872 108.7 45.2 -51.1 -43.7 55.0 54.8 48.7 49 55 A V H X S+ 0 0 0 -4,-1.4 4,-2.3 2,-0.2 -1,-0.2 0.939 113.4 50.4 -69.8 -42.0 57.1 51.6 48.4 50 56 A Y H X S+ 0 0 65 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.918 110.8 49.4 -60.0 -43.9 54.0 49.6 48.7 51 57 A D H X S+ 0 0 65 -4,-3.7 4,-2.1 1,-0.2 -1,-0.2 0.930 111.0 48.4 -63.1 -44.8 52.2 51.6 46.0 52 58 A N H X S+ 0 0 23 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.902 112.0 49.0 -62.4 -43.8 55.1 51.4 43.6 53 59 A I H X S+ 0 0 6 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.877 108.6 53.3 -65.0 -39.3 55.4 47.6 44.0 54 60 A K H X S+ 0 0 95 -4,-2.2 4,-1.8 -5,-0.2 -1,-0.2 0.905 107.6 51.5 -63.8 -41.1 51.7 47.1 43.5 55 61 A R H X S+ 0 0 135 -4,-2.1 4,-1.8 2,-0.2 3,-0.2 0.940 110.5 47.9 -61.7 -45.9 51.9 49.1 40.2 56 62 A T H X S+ 0 0 3 -4,-2.1 4,-2.7 1,-0.2 -1,-0.2 0.905 106.9 58.3 -63.7 -35.2 54.7 46.9 39.0 57 63 A E H X S+ 0 0 22 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.896 104.7 49.5 -60.3 -40.1 52.8 43.8 40.0 58 64 A K H X S+ 0 0 128 -4,-1.8 4,-2.5 -3,-0.2 -1,-0.2 0.880 110.3 52.4 -64.6 -38.0 49.9 44.8 37.7 59 65 A I H X S+ 0 0 49 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.936 107.4 50.1 -62.1 -45.1 52.4 45.3 35.0 60 66 A L H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.920 111.6 50.2 -58.2 -42.4 53.8 41.8 35.6 61 67 A E H X S+ 0 0 65 -4,-2.3 4,-3.0 2,-0.2 5,-0.2 0.913 106.0 54.8 -64.4 -41.2 50.2 40.5 35.4 62 68 A T H X S+ 0 0 61 -4,-2.5 4,-1.4 1,-0.2 -1,-0.2 0.948 108.7 48.8 -58.9 -42.4 49.6 42.3 32.2 63 69 A Y H X S+ 0 0 59 -4,-2.4 4,-2.5 1,-0.2 5,-0.5 0.902 109.6 52.4 -64.8 -36.9 52.7 40.5 30.7 64 70 A E H X S+ 0 0 6 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.943 106.1 52.7 -65.4 -41.8 51.4 37.2 32.0 65 71 A M H < S+ 0 0 126 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.824 117.1 41.5 -60.6 -26.3 48.0 37.8 30.3 66 72 A K H < S+ 0 0 150 -4,-1.4 -2,-0.2 -5,-0.2 -1,-0.2 0.838 130.5 19.8 -91.7 -33.4 49.9 38.5 27.0 67 73 A L H < S- 0 0 89 -4,-2.5 -3,-0.2 -5,-0.1 -2,-0.2 0.617 78.0-153.0-111.7 -21.8 52.7 35.9 27.0 68 74 A H X + 0 0 86 -4,-2.6 4,-2.1 -5,-0.5 5,-0.3 0.727 40.1 147.2 53.9 29.0 51.4 33.1 29.5 69 75 A M H > S+ 0 0 86 -6,-0.2 4,-1.4 1,-0.2 -1,-0.1 0.881 71.8 45.8 -64.1 -31.2 54.9 32.0 30.4 70 76 A Y H > S+ 0 0 55 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.955 112.6 45.2 -78.8 -49.1 53.8 31.1 33.9 71 77 A S H > S+ 0 0 47 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.908 115.9 49.1 -59.5 -39.0 50.6 29.3 33.2 72 78 A D H X S+ 0 0 70 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.802 108.7 53.1 -68.2 -33.8 52.3 27.3 30.4 73 79 A Y H X S+ 0 0 57 -4,-1.4 4,-1.7 -5,-0.3 -1,-0.2 0.865 110.2 48.5 -65.3 -38.7 55.2 26.5 32.8 74 80 A V H X S+ 0 0 43 -4,-2.2 4,-1.9 2,-0.2 5,-0.2 0.955 110.6 50.2 -68.9 -47.3 52.7 25.1 35.3 75 81 A V H X S+ 0 0 70 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.932 110.7 49.2 -56.7 -46.2 50.9 23.1 32.7 76 82 A R H X S+ 0 0 112 -4,-2.1 4,-3.1 1,-0.2 -1,-0.2 0.867 108.6 51.6 -62.0 -41.1 54.1 21.5 31.4 77 83 A S H X S+ 0 0 30 -4,-1.7 4,-2.5 2,-0.2 -1,-0.2 0.866 110.1 50.2 -64.7 -37.1 55.4 20.5 34.8 78 84 A E H X S+ 0 0 119 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.921 112.8 46.3 -68.1 -39.8 52.1 18.8 35.6 79 85 A I H X S+ 0 0 84 -4,-2.2 4,-2.3 -5,-0.2 -2,-0.2 0.929 111.2 52.0 -68.7 -38.8 52.3 16.9 32.4 80 86 A F H X S+ 0 0 18 -4,-3.1 4,-2.9 1,-0.3 -2,-0.2 0.921 108.0 51.7 -61.9 -43.4 55.9 16.0 33.0 81 87 A D H X S+ 0 0 104 -4,-2.5 4,-2.7 2,-0.2 -1,-0.3 0.877 108.5 51.3 -58.7 -39.4 55.0 14.7 36.4 82 88 A D H X S+ 0 0 112 -4,-1.7 4,-2.3 2,-0.2 -1,-0.2 0.920 110.5 49.4 -64.3 -41.2 52.2 12.5 34.8 83 89 A M H X S+ 0 0 63 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.938 111.4 48.5 -63.5 -44.4 54.8 11.2 32.3 84 90 A I H < S+ 0 0 70 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.928 112.3 47.7 -62.9 -44.6 57.2 10.4 35.1 85 91 A A H < S+ 0 0 74 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.848 114.1 49.3 -63.3 -33.3 54.6 8.6 37.2 86 92 A H H < S+ 0 0 142 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.882 121.1 32.2 -75.0 -37.9 53.5 6.7 34.1 87 93 A Y >< + 0 0 104 -4,-2.7 3,-1.5 -5,-0.1 -1,-0.2 -0.519 67.6 159.2-118.0 64.3 57.0 5.6 33.0 88 94 A P T 3 S+ 0 0 65 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.748 78.3 37.8 -62.5 -25.2 58.9 5.1 36.3 89 95 A H T 3 S+ 0 0 179 -3,-0.1 2,-0.9 5,-0.0 -5,-0.0 0.194 83.4 109.8-114.1 20.0 61.5 2.8 34.8 90 96 A D <> - 0 0 64 -3,-1.5 4,-2.2 1,-0.2 5,-0.2 -0.819 43.9-171.6 -98.9 106.3 62.1 4.3 31.3 91 97 A E H > S+ 0 0 25 -2,-0.9 4,-2.3 1,-0.2 5,-0.2 0.872 83.1 53.2 -64.7 -43.3 65.5 5.8 31.3 92 98 A Y H > S+ 0 0 101 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.912 112.3 46.0 -59.9 -39.4 65.2 7.5 28.0 93 99 A L H > S+ 0 0 14 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.906 109.5 53.7 -72.3 -38.3 62.0 9.2 29.0 94 100 A Q H X S+ 0 0 83 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.933 109.7 48.4 -62.2 -45.0 63.4 10.3 32.4 95 101 A E H X S+ 0 0 21 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.899 110.2 52.2 -63.9 -37.8 66.3 11.9 30.6 96 102 A K H X S+ 0 0 54 -4,-1.9 4,-2.4 1,-0.2 5,-0.2 0.940 110.9 47.1 -59.8 -43.6 64.0 13.6 28.2 97 103 A I H X S+ 0 0 7 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.898 108.0 56.5 -68.3 -35.0 62.0 15.0 31.0 98 104 A S H X S+ 0 0 63 -4,-2.5 4,-1.4 1,-0.2 -1,-0.2 0.915 110.3 44.0 -60.1 -45.7 65.1 16.1 32.8 99 105 A I H X S+ 0 0 20 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.876 114.3 48.6 -68.5 -39.5 66.2 18.2 29.7 100 106 A L H X S+ 0 0 70 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.906 110.5 51.9 -64.0 -42.9 62.7 19.7 29.2 101 107 A T H X S+ 0 0 46 -4,-2.6 4,-1.2 -5,-0.2 -1,-0.2 0.845 110.6 48.0 -62.3 -34.8 62.4 20.6 32.8 102 108 A S H < S+ 0 0 24 -4,-1.4 -1,-0.2 2,-0.2 -2,-0.2 0.809 109.4 52.1 -77.5 -31.9 65.8 22.3 32.7 103 109 A I H >< S+ 0 0 62 -4,-1.7 3,-1.0 1,-0.2 -2,-0.2 0.878 111.6 48.8 -68.0 -35.7 64.8 24.2 29.6 104 110 A D H 3< S+ 0 0 26 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.771 108.1 52.9 -73.6 -26.5 61.7 25.3 31.4 105 111 A N T 3< 0 0 98 -4,-1.2 -1,-0.2 -5,-0.2 -2,-0.2 0.294 360.0 360.0 -91.4 8.9 63.6 26.4 34.5 106 112 A R < 0 0 186 -3,-1.0 -2,-0.2 -4,-0.1 -1,-0.2 0.574 360.0 360.0-122.9 360.0 65.9 28.6 32.4 107 !* 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 0.0 108 6 B I 0 0 51 0, 0.0 2,-0.3 0, 0.0 35,-0.0 0.000 360.0 360.0 360.0 121.9 93.4 20.7 52.1 109 7 B E - 0 0 171 1,-0.0 2,-0.3 0, 0.0 0, 0.0 -0.556 360.0-144.1 -70.9 127.3 93.4 22.8 49.0 110 8 B K - 0 0 76 -2,-0.3 2,-0.3 4,-0.0 3,-0.1 -0.708 20.6-173.1 -86.6 144.7 90.0 22.8 47.3 111 9 B T > - 0 0 59 -2,-0.3 4,-2.5 1,-0.1 5,-0.2 -0.968 37.0-123.0-136.0 156.8 90.0 22.9 43.5 112 10 B N H > S+ 0 0 143 -2,-0.3 4,-2.9 1,-0.2 5,-0.2 0.918 113.9 55.2 -62.0 -39.6 87.4 23.2 40.8 113 11 B R H > S+ 0 0 94 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.950 109.5 43.2 -59.5 -50.7 88.6 19.9 39.4 114 12 B M H > S+ 0 0 18 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.939 112.5 54.8 -64.4 -39.7 88.2 17.9 42.7 115 13 B N H X S+ 0 0 41 -4,-2.5 4,-2.9 1,-0.2 -1,-0.2 0.967 111.1 45.1 -55.7 -50.2 84.8 19.6 43.2 116 14 B A H X S+ 0 0 13 -4,-2.9 4,-2.8 1,-0.2 -1,-0.2 0.879 110.0 53.8 -62.3 -36.4 83.8 18.4 39.8 117 15 B L H X S+ 0 0 0 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.928 111.0 47.8 -63.9 -38.8 85.2 14.9 40.4 118 16 B F H X S+ 0 0 15 -4,-2.8 4,-1.6 1,-0.2 -2,-0.2 0.956 111.4 49.7 -65.4 -47.4 83.1 14.7 43.5 119 17 B E H < S+ 0 0 130 -4,-2.9 4,-0.3 -5,-0.2 -2,-0.2 0.905 114.0 45.5 -59.6 -40.8 80.0 16.0 41.7 120 18 B F H < S+ 0 0 42 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.868 126.5 24.9 -71.5 -34.4 80.4 13.4 38.8 121 19 B Y H >X S+ 0 0 0 -4,-2.1 3,-2.1 -5,-0.2 4,-0.6 0.342 81.6 108.8-116.9 4.7 81.1 10.3 41.0 122 20 B A G >< S+ 0 0 19 -4,-1.6 3,-1.5 1,-0.3 -1,-0.1 0.827 75.3 64.1 -55.2 -34.4 79.5 10.9 44.3 123 21 B A G 34 S+ 0 0 49 1,-0.3 -1,-0.3 -4,-0.3 -2,-0.1 0.746 97.4 57.2 -64.9 -20.8 76.8 8.4 43.6 124 22 B L G <4 S+ 0 0 19 -3,-2.1 -1,-0.3 157,-0.1 -2,-0.2 0.681 92.0 93.4 -79.7 -16.3 79.5 5.7 43.4 125 23 B L S << S- 0 0 13 -3,-1.5 2,-0.1 -4,-0.6 39,-0.0 -0.482 75.5-124.4 -80.2 145.3 80.7 6.5 47.0 126 24 B T >> - 0 0 73 -2,-0.2 4,-1.9 1,-0.1 3,-0.6 -0.404 34.6-106.2 -72.6 161.8 79.5 4.8 50.2 127 25 B D H 3> S+ 0 0 115 1,-0.3 4,-3.6 2,-0.2 -1,-0.1 0.884 123.6 54.7 -57.4 -38.5 78.0 7.2 52.9 128 26 B K H 34 S+ 0 0 166 1,-0.2 4,-0.3 2,-0.2 -1,-0.3 0.813 110.6 44.3 -66.9 -29.3 81.2 6.7 54.8 129 27 B Q H <4 S+ 0 0 55 -3,-0.6 4,-0.4 1,-0.1 -1,-0.2 0.775 122.5 39.1 -82.3 -23.9 83.3 7.7 51.9 130 28 B M H X S+ 0 0 38 -4,-1.9 4,-2.6 2,-0.1 5,-0.3 0.825 90.5 84.1 -95.9 -34.8 81.0 10.7 51.1 131 29 B N H X S+ 0 0 57 -4,-3.6 4,-1.5 1,-0.2 5,-0.2 0.845 99.3 32.5 -41.7 -61.8 80.0 12.1 54.5 132 30 B Y H > S+ 0 0 36 -4,-0.3 4,-2.8 2,-0.2 -1,-0.2 0.926 118.2 49.8 -67.2 -46.7 82.9 14.4 55.2 133 31 B I H > S+ 0 0 0 -4,-0.4 4,-3.2 1,-0.3 5,-0.4 0.889 108.3 56.7 -64.0 -35.4 83.9 15.5 51.6 134 32 B E H X>S+ 0 0 74 -4,-2.6 4,-1.9 1,-0.2 5,-1.1 0.915 110.7 42.2 -56.6 -48.8 80.3 16.4 51.0 135 33 B L H <5S+ 0 0 22 -4,-1.5 6,-2.4 -5,-0.3 4,-0.5 0.902 115.3 52.4 -64.7 -40.6 80.3 18.8 53.9 136 34 B Y H <5S+ 0 0 19 -4,-2.8 4,-0.3 4,-0.2 -2,-0.2 0.930 124.4 22.4 -60.5 -49.2 83.7 20.0 53.0 137 35 B Y H <5S+ 0 0 26 -4,-3.2 -3,-0.2 -5,-0.2 -2,-0.2 0.897 130.2 36.7 -89.5 -49.2 82.9 20.8 49.3 138 36 B A T <5S+ 0 0 63 -4,-1.9 -3,-0.2 -5,-0.4 -2,-0.1 0.881 131.2 27.6 -76.2 -38.0 79.1 21.3 49.1 139 37 B D S - 0 0 49 1,-0.1 4,-2.2 -2,-0.1 5,-0.2 -0.472 29.1-103.2 -87.6 172.3 86.1 23.5 57.8 143 41 B L H > S+ 0 0 30 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.883 123.7 52.6 -63.2 -36.1 87.9 20.3 59.0 144 42 B A H > S+ 0 0 37 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.912 108.3 48.2 -64.9 -44.8 87.2 21.4 62.6 145 43 B E H > S+ 0 0 104 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.937 112.2 49.8 -64.5 -41.8 83.5 21.8 62.0 146 44 B I H X S+ 0 0 0 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.938 112.3 47.9 -60.4 -45.2 83.4 18.4 60.3 147 45 B A H X>S+ 0 0 3 -4,-2.6 5,-2.4 2,-0.2 4,-1.0 0.899 111.2 49.6 -63.3 -43.3 85.2 16.8 63.2 148 46 B D H ><5S+ 0 0 132 -4,-2.9 3,-0.9 3,-0.2 -2,-0.2 0.964 109.4 53.2 -59.2 -48.3 83.0 18.5 65.8 149 47 B E H 3<5S+ 0 0 124 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.898 119.1 33.9 -55.7 -41.2 79.9 17.3 63.9 150 48 B F H 3<5S- 0 0 79 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.482 107.9-121.3 -97.7 3.9 81.1 13.7 63.9 151 49 B G T <<5S+ 0 0 65 -4,-1.0 2,-0.3 -3,-0.9 -3,-0.2 0.955 72.7 113.3 58.5 49.8 82.8 13.8 67.2 152 50 B V < - 0 0 59 -5,-2.4 -1,-0.2 -6,-0.1 2,-0.1 -0.813 69.6 -80.5-137.2-178.1 86.1 12.8 65.9 153 51 B S > - 0 0 66 -2,-0.3 4,-1.4 1,-0.1 5,-0.1 -0.416 33.6-118.6 -81.3 159.2 89.6 14.3 65.5 154 52 B R H > S+ 0 0 158 1,-0.2 4,-3.3 2,-0.2 5,-0.2 0.909 115.2 57.7 -61.0 -41.3 90.6 16.6 62.7 155 53 B Q H > S+ 0 0 114 1,-0.2 4,-3.3 2,-0.2 5,-0.2 0.903 102.4 52.5 -58.3 -42.3 93.2 14.0 61.6 156 54 B A H > S+ 0 0 40 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.925 112.8 46.5 -59.0 -39.6 90.5 11.4 61.1 157 55 B V H X S+ 0 0 0 -4,-1.4 4,-2.1 2,-0.2 -2,-0.2 0.936 112.2 49.2 -67.2 -48.5 88.7 13.9 58.9 158 56 B Y H X S+ 0 0 84 -4,-3.3 4,-2.2 1,-0.2 5,-0.2 0.950 112.4 48.2 -54.4 -52.1 91.8 14.8 57.0 159 57 B D H X S+ 0 0 67 -4,-3.3 4,-2.4 1,-0.2 -2,-0.2 0.910 111.5 49.8 -56.2 -46.0 92.6 11.1 56.4 160 58 B N H X S+ 0 0 31 -4,-2.3 4,-2.1 -5,-0.2 -1,-0.2 0.872 111.5 47.2 -66.1 -36.1 89.1 10.2 55.2 161 59 B I H X S+ 0 0 0 -4,-2.1 4,-3.2 2,-0.2 -1,-0.2 0.948 111.1 50.9 -71.2 -43.0 88.9 13.1 52.8 162 60 B K H X S+ 0 0 93 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.913 110.8 50.6 -59.3 -42.2 92.3 12.3 51.3 163 61 B R H X S+ 0 0 182 -4,-2.4 4,-2.0 -5,-0.2 -1,-0.2 0.930 111.2 46.8 -61.9 -43.9 91.2 8.7 50.9 164 62 B T H X S+ 0 0 2 -4,-2.1 4,-2.9 1,-0.2 5,-0.2 0.927 108.6 56.2 -66.2 -38.3 88.0 9.7 49.1 165 63 B E H X S+ 0 0 26 -4,-3.2 4,-2.5 1,-0.2 -1,-0.2 0.913 107.3 49.1 -59.1 -40.7 89.9 12.1 46.9 166 64 B K H X S+ 0 0 155 -4,-1.9 4,-1.7 1,-0.2 -1,-0.2 0.869 110.0 50.8 -65.2 -39.2 92.1 9.2 45.8 167 65 B I H X S+ 0 0 47 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.892 110.3 50.3 -63.8 -39.5 89.0 7.1 45.1 168 66 B L H X S+ 0 0 0 -4,-2.9 4,-2.5 1,-0.2 -2,-0.2 0.912 107.7 52.6 -64.1 -41.1 87.6 9.9 43.0 169 67 B E H X S+ 0 0 62 -4,-2.5 4,-2.2 -5,-0.2 -1,-0.2 0.881 107.5 53.6 -64.0 -33.3 90.8 10.2 41.1 170 68 B T H X S+ 0 0 48 -4,-1.7 4,-1.7 2,-0.2 -1,-0.2 0.928 107.3 49.4 -67.3 -42.8 90.6 6.5 40.4 171 69 B Y H X S+ 0 0 46 -4,-2.1 4,-3.2 2,-0.2 5,-0.4 0.925 110.3 51.7 -59.1 -43.3 87.1 6.9 39.0 172 70 B E H X S+ 0 0 7 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.906 108.9 49.9 -62.7 -42.5 88.2 9.8 36.8 173 71 B M H < S+ 0 0 129 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.802 117.6 41.3 -65.0 -32.1 91.1 7.7 35.4 174 72 B K H < S+ 0 0 84 -4,-1.7 -2,-0.2 -5,-0.2 56,-0.2 0.890 130.7 22.3 -83.1 -36.6 88.7 4.8 34.6 175 73 B L H < S- 0 0 0 -4,-3.2 -3,-0.2 -5,-0.2 -2,-0.2 0.688 76.5-152.7-107.5 -26.8 85.8 6.8 33.3 176 74 B H X + 0 0 78 -4,-2.7 4,-2.5 -5,-0.4 5,-0.3 0.740 42.8 143.3 60.5 25.4 87.1 10.2 32.0 177 75 B M H > S+ 0 0 17 -6,-0.2 4,-1.4 1,-0.2 -1,-0.1 0.935 74.0 43.6 -63.4 -36.9 83.8 12.0 32.6 178 76 B Y H > S+ 0 0 45 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.933 114.4 46.3 -76.5 -45.6 85.6 15.1 33.7 179 77 B S H > S+ 0 0 43 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.896 112.0 52.1 -64.3 -36.5 88.2 15.2 31.1 180 78 B D H X S+ 0 0 25 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.880 110.5 50.4 -62.4 -33.7 85.6 14.5 28.4 181 79 B Y H X S+ 0 0 75 -4,-1.4 4,-1.9 -5,-0.3 -2,-0.2 0.893 110.3 47.8 -71.4 -37.3 83.7 17.4 29.8 182 80 B V H X S+ 0 0 67 -4,-2.4 4,-1.5 2,-0.2 -2,-0.2 0.928 114.0 47.7 -69.4 -37.6 86.7 19.8 29.7 183 81 B V H X S+ 0 0 58 -4,-2.5 4,-2.0 1,-0.2 3,-0.2 0.949 112.9 46.8 -72.1 -45.0 87.5 18.7 26.1 184 82 B R H X S+ 0 0 12 -4,-2.5 4,-3.3 1,-0.2 -1,-0.2 0.887 108.0 57.2 -58.8 -43.3 83.9 19.2 24.9 185 83 B S H X S+ 0 0 24 -4,-1.9 4,-3.0 2,-0.2 -1,-0.2 0.878 106.7 49.8 -55.9 -38.1 83.7 22.5 26.6 186 84 B E H X S+ 0 0 120 -4,-1.5 4,-2.3 -3,-0.2 -1,-0.2 0.921 111.4 47.3 -70.3 -40.5 86.7 23.6 24.6 187 85 B I H X S+ 0 0 13 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.908 111.5 51.2 -66.7 -35.6 85.1 22.4 21.5 188 86 B F H X S+ 0 0 5 -4,-3.3 4,-2.6 1,-0.2 5,-0.3 0.948 109.1 51.3 -66.9 -46.2 81.8 24.2 22.4 189 87 B D H X S+ 0 0 107 -4,-3.0 4,-2.4 1,-0.2 5,-0.2 0.892 107.5 52.5 -55.2 -42.8 83.8 27.4 23.1 190 88 B D H X S+ 0 0 78 -4,-2.3 4,-1.8 2,-0.2 -1,-0.2 0.945 111.1 48.7 -57.8 -43.5 85.4 27.2 19.6 191 89 B M H X S+ 0 0 2 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.930 111.5 47.0 -64.1 -47.6 81.9 26.8 18.1 192 90 B I H < S+ 0 0 65 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.899 111.2 52.0 -63.7 -38.8 80.4 29.8 19.9 193 91 B A H < S+ 0 0 76 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.902 110.6 50.9 -63.2 -32.5 83.4 31.9 19.0 194 92 B H H < S+ 0 0 95 -4,-1.8 -2,-0.2 1,-0.3 -1,-0.2 0.866 124.8 23.6 -74.1 -37.4 82.8 30.9 15.5 195 93 B Y >< + 0 0 30 -4,-2.2 3,-1.4 1,-0.1 -1,-0.3 -0.629 69.2 165.9-127.2 77.1 79.1 31.8 15.4 196 94 B P T 3 S+ 0 0 78 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.743 76.5 45.0 -70.1 -20.3 78.6 34.4 18.1 197 95 B H T 3 S+ 0 0 176 1,-0.1 2,-0.8 4,-0.0 -5,-0.0 0.056 81.0 110.4-113.7 28.9 75.2 35.5 16.9 198 96 B D <> - 0 0 38 -3,-1.4 4,-2.5 1,-0.2 3,-0.3 -0.806 41.1-176.9-107.6 93.8 73.6 32.1 16.3 199 97 B E H > S+ 0 0 158 -2,-0.8 4,-2.6 1,-0.2 5,-0.2 0.834 81.6 55.9 -58.8 -41.1 70.9 31.5 18.9 200 98 B Y H > S+ 0 0 65 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.919 111.7 45.0 -59.7 -40.4 70.0 28.0 17.8 201 99 B L H > S+ 0 0 1 -3,-0.3 4,-2.7 2,-0.2 -2,-0.2 0.959 111.8 51.5 -65.3 -51.5 73.7 27.0 18.2 202 100 B Q H X S+ 0 0 113 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.898 110.9 49.8 -49.4 -44.9 74.0 28.8 21.6 203 101 B E H X S+ 0 0 100 -4,-2.6 4,-1.9 2,-0.2 -1,-0.2 0.916 108.8 51.1 -65.2 -45.1 70.8 27.0 22.7 204 102 B K H X S+ 0 0 28 -4,-2.1 4,-2.8 1,-0.2 5,-0.2 0.921 110.1 50.6 -54.8 -45.8 72.2 23.6 21.6 205 103 B I H X S+ 0 0 10 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.908 106.6 53.4 -66.5 -39.4 75.4 24.3 23.5 206 104 B S H X S+ 0 0 51 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.871 112.2 45.8 -61.4 -35.2 73.5 25.2 26.7 207 105 B I H X S+ 0 0 18 -4,-1.9 4,-2.4 2,-0.2 5,-0.2 0.963 112.1 49.0 -72.0 -47.3 71.6 21.9 26.5 208 106 B L H X S+ 0 0 1 -4,-2.8 4,-1.3 1,-0.3 -2,-0.2 0.892 113.3 49.9 -54.9 -43.1 74.7 19.8 25.8 209 107 B T H < S+ 0 0 50 -4,-2.6 -1,-0.3 -5,-0.2 -2,-0.2 0.863 110.7 47.1 -67.3 -38.2 76.4 21.5 28.7 210 108 B S H < S+ 0 0 33 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.812 102.9 61.9 -74.6 -30.8 73.6 21.0 31.2 211 109 B I H < 0 0 18 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.937 360.0 360.0 -55.9 -43.3 73.2 17.3 30.2 212 110 B D < 0 0 39 -4,-1.3 -1,-0.3 -5,-0.2 -4,-0.0 -0.528 360.0 360.0 -75.8 360.0 76.8 17.2 31.5 213 !* 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 0.0 214 5 C E 0 0 214 0, 0.0 2,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 104.3 69.8 -18.3 27.9 215 6 C I - 0 0 9 53,-0.0 2,-0.6 54,-0.0 35,-0.1 -0.975 360.0-138.2-124.2 117.3 71.2 -14.7 28.3 216 7 C E - 0 0 164 -2,-0.5 2,-0.2 1,-0.0 0, 0.0 -0.619 12.7-147.0 -80.0 117.6 70.0 -12.2 25.7 217 8 C K + 0 0 74 -2,-0.6 2,-0.3 26,-0.1 3,-0.1 -0.554 23.8 176.9 -76.2 145.5 72.7 -9.9 24.3 218 9 C T > - 0 0 60 -2,-0.2 4,-2.8 1,-0.1 5,-0.2 -0.970 41.6-114.5-144.9 163.8 71.5 -6.4 23.4 219 10 C N H > S+ 0 0 141 -2,-0.3 4,-2.3 2,-0.2 5,-0.1 0.874 115.8 51.9 -69.2 -38.6 73.1 -3.2 22.2 220 11 C R H > S+ 0 0 71 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.986 113.2 44.7 -59.8 -50.8 72.2 -1.3 25.4 221 12 C M H > S+ 0 0 20 1,-0.3 4,-2.3 2,-0.2 5,-0.2 0.919 112.3 51.3 -63.2 -40.7 73.9 -4.0 27.5 222 13 C N H X S+ 0 0 44 -4,-2.8 4,-2.1 1,-0.2 -1,-0.3 0.931 112.1 48.8 -59.9 -40.5 76.9 -4.2 25.2 223 14 C A H X S+ 0 0 18 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.905 107.4 52.5 -68.9 -38.1 77.1 -0.5 25.5 224 15 C L H X S+ 0 0 0 -4,-2.8 4,-3.1 1,-0.2 5,-0.2 0.951 110.4 50.5 -61.0 -43.6 76.9 -0.5 29.4 225 16 C F H X S+ 0 0 14 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.910 110.4 48.1 -57.5 -45.9 79.7 -3.0 29.5 226 17 C E H < S+ 0 0 132 -4,-2.1 4,-0.3 -5,-0.2 -1,-0.2 0.908 115.9 45.8 -65.7 -40.6 81.9 -0.9 27.2 227 18 C F H < S+ 0 0 26 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.925 127.1 23.6 -66.5 -44.2 81.2 2.2 29.3 228 19 C Y H >X S+ 0 0 0 -4,-3.1 3,-2.3 -5,-0.2 4,-0.6 0.411 82.4 111.4-109.6 2.3 81.7 0.7 32.7 229 20 C A G >< S+ 0 0 18 -4,-2.0 3,-2.1 1,-0.3 -1,-0.2 0.875 75.7 60.1 -44.0 -47.4 84.0 -2.3 32.2 230 21 C A G 34 S+ 0 0 47 1,-0.3 -1,-0.3 -4,-0.3 -2,-0.1 0.776 98.2 59.8 -59.1 -22.6 86.9 -0.7 34.0 231 22 C L G <4 S+ 0 0 18 -3,-2.3 -1,-0.3 -57,-0.1 -2,-0.2 0.709 89.8 90.0 -77.2 -16.9 84.8 -0.3 37.2 232 23 C L S << S- 0 0 10 -3,-2.1 2,-0.1 -4,-0.6 39,-0.0 -0.397 80.3-117.4 -78.2 157.2 84.3 -4.1 37.4 233 24 C T > - 0 0 74 1,-0.1 4,-1.8 -2,-0.1 3,-0.3 -0.445 37.0 -99.4 -80.5 168.5 86.6 -6.4 39.3 234 25 C D H > S+ 0 0 120 1,-0.3 4,-2.8 2,-0.2 3,-0.2 0.904 125.8 48.8 -55.4 -45.2 88.4 -9.1 37.4 235 26 C K H 4 S+ 0 0 161 1,-0.2 4,-0.4 2,-0.2 -1,-0.3 0.829 111.0 51.1 -69.1 -26.7 85.9 -11.8 38.5 236 27 C Q H 4 S+ 0 0 56 -3,-0.3 4,-0.4 1,-0.1 -1,-0.2 0.801 119.5 35.6 -78.5 -23.5 83.0 -9.5 37.5 237 28 C M H X S+ 0 0 34 -4,-1.8 4,-2.3 -3,-0.2 5,-0.3 0.811 94.0 77.6 -99.1 -34.8 84.5 -8.8 34.1 238 29 C N H X S+ 0 0 55 -4,-2.8 4,-1.2 -5,-0.2 -3,-0.1 0.836 101.9 37.3 -53.1 -40.6 86.2 -12.0 32.7 239 30 C Y H > S+ 0 0 37 -4,-0.4 4,-2.5 2,-0.2 3,-0.3 0.959 116.5 48.4 -80.1 -48.8 83.1 -14.0 31.6 240 31 C I H > S+ 0 0 0 -4,-0.4 4,-2.5 1,-0.2 5,-0.4 0.874 108.4 57.3 -62.4 -31.4 80.9 -11.2 30.3 241 32 C E H X>S+ 0 0 77 -4,-2.3 4,-1.9 1,-0.2 5,-0.8 0.934 109.5 43.5 -63.3 -42.4 83.9 -9.9 28.3 242 33 C L H X5S+ 0 0 30 -4,-1.2 6,-2.2 -3,-0.3 4,-0.9 0.917 113.2 54.0 -68.6 -37.8 84.3 -13.2 26.5 243 34 C Y H <5S+ 0 0 25 -4,-2.5 4,-0.3 4,-0.2 -2,-0.2 0.944 123.9 22.0 -60.9 -51.1 80.5 -13.4 26.0 244 35 C Y H <5S+ 0 0 17 -4,-2.5 -3,-0.2 -5,-0.2 -2,-0.2 0.923 130.1 37.0 -87.0 -49.7 80.1 -10.0 24.4 245 36 C A H <5S+ 0 0 62 -4,-1.9 -3,-0.2 -5,-0.4 -2,-0.1 0.818 131.0 28.0 -80.8 -23.8 83.4 -9.0 22.9 246 37 C D S < - 0 0 46 -2,-0.1 4,-2.3 1,-0.1 5,-0.2 -0.531 25.2-111.7 -83.3 158.7 79.1 -19.4 24.4 250 41 C L H > S+ 0 0 29 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.910 120.9 54.5 -55.5 -40.9 78.4 -20.0 28.1 251 42 C A H > S+ 0 0 20 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.935 106.4 49.4 -61.5 -46.4 79.6 -23.5 27.5 252 43 C E H > S+ 0 0 100 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.911 110.8 49.9 -61.4 -40.9 82.9 -22.4 26.0 253 44 C I H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 5,-0.2 0.973 111.4 48.7 -60.5 -50.7 83.6 -20.0 28.9 254 45 C A H X>S+ 0 0 2 -4,-2.5 5,-2.0 1,-0.2 4,-1.2 0.889 111.3 50.2 -56.3 -41.9 82.9 -22.7 31.4 255 46 C D H <5S+ 0 0 129 -4,-2.5 3,-0.4 -5,-0.2 -1,-0.2 0.915 110.6 49.7 -63.1 -43.3 85.2 -25.1 29.6 256 47 C E H <5S+ 0 0 140 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.889 118.6 37.1 -65.3 -36.7 88.0 -22.5 29.4 257 48 C F H <5S- 0 0 97 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.465 108.4-118.1 -96.3 -2.6 87.9 -21.7 33.1 258 49 C G T <5S+ 0 0 69 -4,-1.2 2,-0.3 -3,-0.4 -3,-0.2 0.880 73.3 113.4 69.5 41.8 87.1 -25.2 34.4 259 50 C V S - 0 0 62 -2,-0.3 4,-1.6 1,-0.1 5,-0.1 -0.466 30.7-124.9 -81.8 151.1 80.1 -25.2 35.5 261 52 C R H > S+ 0 0 174 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.896 113.5 58.1 -58.1 -42.2 77.9 -23.4 32.9 262 53 C Q H > S+ 0 0 140 1,-0.3 4,-2.7 2,-0.2 5,-0.3 0.908 103.9 52.6 -56.9 -39.7 75.5 -22.5 35.7 263 54 C A H > S+ 0 0 39 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.898 110.9 45.2 -66.2 -40.2 78.3 -20.8 37.4 264 55 C V H X S+ 0 0 0 -4,-1.6 4,-2.7 2,-0.2 5,-0.2 0.930 112.3 52.9 -66.8 -43.8 79.2 -18.7 34.3 265 56 C Y H X S+ 0 0 67 -4,-3.2 4,-2.2 1,-0.2 -2,-0.2 0.924 111.1 44.9 -55.9 -49.5 75.5 -17.9 33.8 266 57 C D H X S+ 0 0 59 -4,-2.7 4,-2.1 2,-0.2 -1,-0.2 0.882 111.3 54.5 -66.2 -35.0 75.0 -16.6 37.3 267 58 C N H X S+ 0 0 17 -4,-1.8 4,-2.1 -5,-0.3 -2,-0.2 0.967 109.0 46.5 -65.8 -47.0 78.2 -14.6 37.2 268 59 C I H X S+ 0 0 0 -4,-2.7 4,-2.7 1,-0.2 -1,-0.2 0.906 111.0 52.1 -63.7 -41.4 77.2 -12.8 34.0 269 60 C K H X S+ 0 0 91 -4,-2.2 4,-1.8 -5,-0.2 -1,-0.2 0.893 107.1 54.4 -58.4 -40.0 73.7 -12.0 35.3 270 61 C R H X S+ 0 0 138 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.957 110.6 45.6 -59.2 -45.6 75.4 -10.6 38.5 271 62 C T H X S+ 0 0 1 -4,-2.1 4,-3.3 1,-0.2 5,-0.2 0.913 106.0 58.6 -66.5 -39.6 77.4 -8.3 36.3 272 63 C E H X S+ 0 0 29 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.903 108.2 47.2 -56.9 -35.9 74.5 -7.3 34.2 273 64 C K H X S+ 0 0 159 -4,-1.8 4,-2.2 1,-0.2 -1,-0.2 0.901 111.5 50.4 -71.4 -40.0 72.8 -6.0 37.4 274 65 C I H X S+ 0 0 41 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.911 109.8 50.7 -63.5 -38.5 75.9 -4.2 38.4 275 66 C L H X S+ 0 0 0 -4,-3.3 4,-2.1 1,-0.2 -2,-0.2 0.905 109.4 50.6 -67.1 -36.6 76.1 -2.6 35.0 276 67 C E H X S+ 0 0 52 -4,-2.0 4,-1.9 -5,-0.2 -1,-0.2 0.857 109.2 51.7 -69.7 -34.0 72.5 -1.5 35.2 277 68 C T H X S+ 0 0 52 -4,-2.2 4,-1.4 2,-0.2 -2,-0.2 0.938 108.0 51.5 -68.9 -42.1 73.2 0.0 38.7 278 69 C Y H X S+ 0 0 47 -4,-2.5 4,-2.7 1,-0.2 3,-0.4 0.930 109.6 50.5 -57.9 -42.9 76.2 1.9 37.3 279 70 C E H X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.903 106.9 53.2 -63.2 -40.8 74.0 3.3 34.5 280 71 C M H < S+ 0 0 113 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.774 116.8 41.0 -63.0 -25.8 71.3 4.5 37.0 281 72 C K H < S+ 0 0 96 -4,-1.4 -2,-0.2 -3,-0.4 -1,-0.2 0.850 131.6 19.1 -89.9 -35.4 74.1 6.3 38.9 282 73 C L H < S- 0 0 7 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.2 0.625 76.8-151.4-115.4 -22.8 76.1 7.8 36.0 283 74 C H X + 0 0 59 -4,-2.4 4,-2.2 -5,-0.4 5,-0.2 0.776 40.1 148.0 56.9 32.8 73.8 7.8 32.9 284 75 C M H > S+ 0 0 20 2,-0.2 4,-1.4 -6,-0.2 -1,-0.1 0.894 73.6 46.6 -64.7 -38.0 76.7 7.5 30.4 285 76 C Y H > S+ 0 0 57 2,-0.2 4,-2.4 1,-0.2 3,-0.2 0.974 114.8 42.1 -70.2 -52.8 74.5 5.6 28.1 286 77 C S H > S+ 0 0 5 1,-0.3 4,-2.4 2,-0.2 5,-0.2 0.924 114.7 53.0 -63.3 -38.5 71.3 7.7 28.2 287 78 C D H X S+ 0 0 11 -4,-2.2 4,-2.4 1,-0.2 -1,-0.3 0.869 108.7 51.2 -59.8 -35.5 73.5 10.8 28.0 288 79 C Y H X S+ 0 0 72 -4,-1.4 4,-2.1 2,-0.2 -2,-0.2 0.890 108.4 50.3 -70.2 -39.9 75.2 9.3 24.9 289 80 C V H X S+ 0 0 29 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.963 111.9 48.1 -60.3 -48.7 71.9 8.7 23.2 290 81 C V H X S+ 0 0 5 -4,-2.4 4,-2.4 1,-0.2 5,-0.2 0.940 108.6 53.6 -58.1 -49.5 70.8 12.2 23.9 291 82 C R H X S+ 0 0 15 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.908 108.9 49.2 -56.1 -42.2 74.0 13.7 22.6 292 83 C S H X S+ 0 0 41 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.887 108.7 52.2 -69.9 -30.6 73.7 11.8 19.3 293 84 C E H X S+ 0 0 64 -4,-1.9 4,-2.2 -3,-0.2 -1,-0.2 0.922 111.8 46.8 -64.9 -42.8 70.1 13.0 18.9 294 85 C I H X S+ 0 0 17 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.898 111.3 51.1 -65.9 -42.0 71.2 16.6 19.3 295 86 C F H X S+ 0 0 4 -4,-2.6 4,-2.3 -5,-0.2 -1,-0.2 0.917 109.5 50.8 -59.9 -42.7 74.1 16.2 17.0 296 87 C D H X S+ 0 0 107 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.911 109.3 51.5 -61.9 -38.5 71.7 14.7 14.4 297 88 C D H X S+ 0 0 86 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.932 109.4 50.5 -61.1 -42.7 69.4 17.7 14.9 298 89 C M H X S+ 0 0 1 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.886 107.9 51.6 -68.6 -37.7 72.4 20.0 14.3 299 90 C I H < S+ 0 0 67 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.909 110.6 47.9 -66.0 -38.0 73.4 18.3 11.1 300 91 C A H < S+ 0 0 78 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.849 112.1 51.7 -68.9 -30.5 69.8 18.6 9.7 301 92 C H H < S+ 0 0 91 -4,-1.8 -2,-0.2 1,-0.3 -1,-0.2 0.850 120.0 32.6 -74.9 -32.0 69.8 22.3 10.8 302 93 C Y S >< S+ 0 0 22 -4,-2.0 3,-1.6 1,-0.1 -1,-0.3 -0.523 70.5 167.0-121.0 66.0 73.2 23.1 9.0 303 94 C P T 3 S+ 0 0 75 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.807 79.5 29.6 -54.7 -34.9 73.2 20.7 6.0 304 95 C H T 3 S+ 0 0 172 5,-0.0 2,-1.1 4,-0.0 3,-0.1 0.268 82.1 118.2-113.5 16.9 76.1 22.5 4.3 305 96 C D <> - 0 0 46 -3,-1.6 4,-2.9 1,-0.2 5,-0.2 -0.703 38.1-174.4 -88.1 101.9 78.2 23.9 7.1 306 97 C E H > S+ 0 0 161 -2,-1.1 4,-2.4 1,-0.2 -1,-0.2 0.876 84.0 52.3 -62.6 -39.0 81.5 22.1 6.7 307 98 C Y H > S+ 0 0 59 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.942 111.5 45.1 -64.3 -47.4 82.9 23.7 9.9 308 99 C L H > S+ 0 0 0 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.935 112.3 53.7 -62.4 -43.9 79.9 22.5 11.9 309 100 C Q H X S+ 0 0 86 -4,-2.9 4,-2.1 1,-0.2 -1,-0.2 0.897 108.5 48.5 -56.3 -43.9 80.1 19.1 10.3 310 101 C E H X S+ 0 0 111 -4,-2.4 4,-1.8 2,-0.2 -1,-0.2 0.932 111.2 50.7 -67.3 -37.6 83.8 18.8 11.3 311 102 C K H X S+ 0 0 27 -4,-2.4 4,-2.8 1,-0.2 5,-0.2 0.943 109.4 50.0 -63.6 -42.5 83.0 19.8 14.9 312 103 C I H X S+ 0 0 6 -4,-2.7 4,-3.1 1,-0.3 -1,-0.2 0.917 108.9 52.8 -65.7 -34.4 80.2 17.3 15.2 313 104 C S H X S+ 0 0 65 -4,-2.1 4,-1.1 -5,-0.2 -1,-0.3 0.839 109.5 48.5 -70.1 -31.5 82.5 14.7 13.9 314 105 C I H X S+ 0 0 54 -4,-1.8 4,-1.3 2,-0.2 -2,-0.2 0.894 113.6 46.5 -71.9 -39.5 85.1 15.6 16.5 315 106 C L H X S+ 0 0 1 -4,-2.8 4,-2.2 1,-0.2 3,-0.4 0.941 109.2 55.5 -67.9 -44.0 82.5 15.5 19.3 316 107 C T H X S+ 0 0 51 -4,-3.1 4,-1.6 1,-0.2 -1,-0.2 0.850 107.2 50.2 -55.9 -35.3 81.1 12.2 18.0 317 108 C S H X S+ 0 0 70 -4,-1.1 4,-0.9 2,-0.2 -1,-0.2 0.804 105.6 52.6 -83.3 -24.1 84.5 10.6 18.3 318 109 C I H < S+ 0 0 29 -4,-1.3 -1,-0.2 -3,-0.4 -2,-0.2 0.888 112.7 49.3 -68.0 -35.2 85.2 11.7 21.8 319 110 C D H < S+ 0 0 17 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.839 114.8 40.7 -70.2 -33.8 81.7 10.1 22.5 320 111 C N H < 0 0 103 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.505 360.0 360.0 -90.7 -7.7 82.8 6.9 20.6 321 112 C R < 0 0 147 -4,-0.9 -4,-0.1 -3,-0.2 -3,-0.1 -0.183 360.0 360.0 75.8 360.0 86.4 7.4 22.4