==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ALLERGEN 19-MAR-07 2EJN . COMPND 2 MOLECULE: MAJOR ALLERGEN I POLYPEPTIDE CHAIN 1, CHAIN 2; . SOURCE 2 ORGANISM_SCIENTIFIC: FELIS CATUS; . AUTHOR L.KAISER,T.C.VELICKOVIC,D.BADIA-MARTINEZ,J.ADEDOYIN, . 291 2 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12556.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 222 76.3 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 . 5 1.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 175 60.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 3 0 0 1 0 1 2 4 2 0 0 2 2 2 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 . 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 0 A M 0 0 92 0, 0.0 77,-3.3 0, 0.0 72,-0.1 0.000 360.0 360.0 360.0 156.3 -13.0 4.0 12.6 2 1 A E - 0 0 150 70,-0.2 65,-0.1 75,-0.2 64,-0.1 -0.158 360.0 -97.5 -55.7 148.3 -10.7 6.4 10.6 3 2 A I - 0 0 15 63,-0.2 -1,-0.1 74,-0.2 68,-0.0 -0.316 43.4 -94.9 -61.0 148.3 -7.3 5.1 9.7 4 3 A a >> - 0 0 13 1,-0.1 4,-1.9 -3,-0.1 3,-1.1 -0.494 31.2-131.1 -61.9 128.9 -4.3 5.9 11.9 5 4 A P H 3> S+ 0 0 104 0, 0.0 4,-3.0 0, 0.0 5,-0.2 0.849 106.9 60.8 -52.8 -34.1 -2.6 9.1 10.3 6 5 A A H 3> S+ 0 0 15 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.812 105.3 48.8 -63.0 -30.6 0.8 7.3 10.5 7 6 A V H <> S+ 0 0 0 -3,-1.1 4,-2.3 2,-0.2 5,-0.2 0.943 110.7 47.8 -75.3 -49.9 -0.6 4.6 8.2 8 7 A K H X S+ 0 0 73 -4,-1.9 4,-2.6 1,-0.2 -2,-0.2 0.935 112.5 51.6 -54.4 -47.1 -2.0 7.1 5.7 9 8 A R H X S+ 0 0 137 -4,-3.0 4,-2.6 2,-0.2 5,-0.2 0.890 106.6 53.1 -54.3 -43.5 1.4 8.9 5.8 10 9 A D H X S+ 0 0 3 -4,-1.6 4,-2.2 1,-0.2 -1,-0.2 0.940 112.5 44.2 -62.9 -43.3 3.3 5.6 5.2 11 10 A V H X S+ 0 0 11 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.887 111.8 52.9 -70.4 -36.4 1.2 4.9 2.1 12 11 A D H X S+ 0 0 43 -4,-2.6 4,-3.3 -5,-0.2 5,-0.4 0.946 112.6 44.4 -61.0 -49.3 1.5 8.5 0.8 13 12 A L H X S+ 0 0 24 -4,-2.6 4,-2.0 2,-0.2 9,-0.2 0.887 108.5 58.2 -61.4 -42.0 5.3 8.4 1.1 14 13 A F H < S+ 0 0 10 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.923 119.1 30.7 -52.0 -46.0 5.4 5.0 -0.5 15 14 A L H < S+ 0 0 1 -4,-2.1 -2,-0.2 -5,-0.1 -1,-0.2 0.858 136.4 21.4 -82.7 -38.9 3.6 6.5 -3.5 16 15 A T H < S+ 0 0 87 -4,-3.3 -3,-0.2 -5,-0.2 -2,-0.2 0.578 100.7 88.7-114.7 -16.2 4.9 10.1 -3.6 17 16 A G S < S- 0 0 7 -4,-2.0 3,-0.0 -5,-0.4 -4,-0.0 -0.295 82.6 -98.3 -75.2 168.2 8.1 10.2 -1.6 18 17 A T > - 0 0 69 1,-0.1 4,-2.6 -2,-0.1 5,-0.2 -0.445 41.5-103.3 -72.1 160.1 11.6 9.6 -3.0 19 18 A P H > S+ 0 0 34 0, 0.0 4,-3.0 0, 0.0 5,-0.3 0.940 124.9 49.2 -48.6 -51.3 13.0 6.1 -2.5 20 19 A D H > S+ 0 0 84 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.919 109.4 51.3 -56.5 -45.1 15.2 7.5 0.3 21 20 A E H > S+ 0 0 104 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.925 115.3 42.6 -59.3 -44.1 12.2 9.3 2.0 22 21 A Y H X S+ 0 0 2 -4,-2.6 4,-2.3 -9,-0.2 -2,-0.2 0.966 115.7 46.1 -64.3 -55.4 10.2 6.1 1.9 23 22 A V H X S+ 0 0 8 -4,-3.0 4,-2.8 1,-0.2 -2,-0.2 0.869 112.5 50.9 -61.1 -40.6 12.9 3.7 3.0 24 23 A E H X S+ 0 0 131 -4,-2.6 4,-1.2 -5,-0.3 -1,-0.2 0.888 108.9 52.1 -63.3 -36.7 14.1 5.9 5.9 25 24 A Q H X S+ 0 0 11 -4,-1.5 4,-0.6 -5,-0.3 3,-0.4 0.914 110.0 48.6 -65.4 -40.1 10.5 6.2 7.1 26 25 A V H >X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 3,-1.8 0.931 106.0 57.9 -60.7 -45.9 10.3 2.4 7.1 27 26 A A H 3< S+ 0 0 32 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.762 95.0 65.0 -58.1 -28.0 13.6 2.3 9.0 28 27 A Q H 3< S+ 0 0 122 -4,-1.2 -1,-0.3 -3,-0.4 -2,-0.2 0.789 114.9 30.8 -64.0 -27.5 12.0 4.4 11.8 29 28 A Y H << S+ 0 0 33 -3,-1.8 2,-0.3 -4,-0.6 -2,-0.2 0.780 137.9 11.1 -98.0 -35.5 9.6 1.5 12.5 30 29 A K < - 0 0 16 -4,-2.4 -1,-0.3 2,-0.1 -2,-0.1 -0.869 55.3-176.7-154.3 105.9 11.7 -1.6 11.5 31 30 A A + 0 0 72 -2,-0.3 -4,-0.1 -3,-0.1 -3,-0.0 -0.042 33.6 138.4-102.9 33.5 15.4 -1.3 10.9 32 31 A L > - 0 0 36 1,-0.1 4,-2.2 2,-0.0 3,-0.3 -0.628 57.1-131.5 -74.1 132.2 16.0 -5.0 9.9 33 32 A P H > S+ 0 0 89 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.898 106.5 51.6 -52.7 -42.8 18.4 -5.0 6.9 34 33 A V H > S+ 0 0 39 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.875 108.6 51.0 -63.3 -37.8 16.2 -7.4 5.0 35 34 A V H > S+ 0 0 0 -3,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.923 112.9 45.5 -64.5 -44.6 13.1 -5.2 5.5 36 35 A L H X S+ 0 0 43 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.911 112.8 50.5 -65.5 -42.3 14.9 -2.1 4.3 37 36 A E H X S+ 0 0 119 -4,-2.6 4,-1.8 -5,-0.2 -2,-0.2 0.928 114.1 44.2 -60.5 -48.4 16.4 -4.0 1.3 38 37 A N H X S+ 0 0 5 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.850 109.9 56.5 -65.1 -37.3 12.9 -5.4 0.3 39 38 A A H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.912 108.2 47.8 -61.1 -43.3 11.3 -1.9 0.9 40 39 A R H X S+ 0 0 81 -4,-2.2 4,-2.9 2,-0.2 5,-0.2 0.899 110.0 51.3 -68.0 -39.7 13.7 -0.4 -1.6 41 40 A I H X S+ 0 0 65 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.971 114.2 45.1 -58.2 -51.8 13.1 -3.1 -4.2 42 41 A L H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.925 114.4 47.3 -57.5 -49.1 9.4 -2.5 -3.9 43 42 A K H X S+ 0 0 0 -4,-2.7 4,-2.2 2,-0.2 -1,-0.2 0.897 111.2 50.4 -62.3 -44.7 9.6 1.3 -4.0 44 43 A N H X S+ 0 0 83 -4,-2.9 4,-2.1 1,-0.2 -1,-0.2 0.919 111.5 51.0 -59.9 -41.1 11.9 1.3 -7.0 45 44 A b H X S+ 0 0 22 -4,-2.5 4,-2.8 -5,-0.2 5,-0.3 0.934 110.0 47.2 -60.5 -50.0 9.4 -1.1 -8.7 46 45 A V H X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.890 112.2 50.1 -63.9 -37.4 6.4 1.1 -8.0 47 46 A D H < S+ 0 0 48 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.915 117.1 41.0 -63.7 -41.1 8.2 4.3 -9.2 48 47 A A H < S+ 0 0 92 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.878 120.2 42.5 -76.5 -36.9 9.2 2.6 -12.5 49 48 A K H < S+ 0 0 59 -4,-2.8 2,-0.5 -5,-0.2 -2,-0.2 0.733 106.4 68.2 -82.5 -29.7 5.9 0.8 -13.1 50 49 A M < - 0 0 8 -4,-2.1 2,-0.1 -5,-0.3 -1,-0.0 -0.842 67.0-150.8-102.0 130.3 3.5 3.6 -12.2 51 50 A T > - 0 0 74 -2,-0.5 4,-2.5 1,-0.1 5,-0.2 -0.302 39.0 -97.7 -77.1 174.1 3.1 6.8 -14.2 52 51 A E H > S+ 0 0 151 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.909 129.7 50.8 -57.8 -40.3 2.0 10.1 -12.6 53 52 A E H > S+ 0 0 108 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.913 108.2 51.8 -64.2 -45.6 -1.5 9.3 -13.7 54 53 A D H > S+ 0 0 13 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.913 111.5 46.9 -53.6 -48.2 -1.2 5.9 -12.1 55 54 A K H X S+ 0 0 23 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.936 110.6 52.1 -62.6 -45.1 -0.1 7.5 -8.8 56 55 A E H X S+ 0 0 131 -4,-2.8 4,-2.0 1,-0.2 -1,-0.2 0.894 111.2 47.9 -55.1 -43.2 -2.9 10.0 -9.0 57 56 A N H X S+ 0 0 19 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.879 109.5 52.0 -69.7 -37.5 -5.4 7.2 -9.5 58 57 A A H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.929 111.1 49.1 -57.7 -44.0 -3.9 5.2 -6.5 59 58 A L H X S+ 0 0 48 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.884 110.1 49.3 -67.3 -39.7 -4.3 8.2 -4.4 60 59 A S H X S+ 0 0 41 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.909 112.0 49.5 -67.7 -38.4 -7.9 8.8 -5.4 61 60 A L H X S+ 0 0 0 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.930 109.4 51.3 -63.5 -44.0 -8.7 5.2 -4.7 62 61 A L H X S+ 0 0 8 -4,-2.6 4,-2.9 1,-0.2 5,-0.2 0.915 106.7 54.2 -62.0 -38.2 -7.1 5.4 -1.3 63 62 A D H X S+ 0 0 85 -4,-2.2 4,-1.3 1,-0.2 -1,-0.2 0.889 106.1 53.2 -61.8 -37.0 -9.2 8.5 -0.6 64 63 A K H < S+ 0 0 57 -4,-1.8 4,-0.4 2,-0.2 -1,-0.2 0.873 111.0 47.4 -62.1 -38.6 -12.3 6.4 -1.4 65 64 A I H >< S+ 0 0 0 -4,-1.9 3,-1.6 1,-0.2 7,-0.2 0.970 110.2 49.9 -65.3 -53.3 -11.1 3.8 1.1 66 65 A Y H 3< S+ 0 0 19 -4,-2.9 -63,-0.2 1,-0.3 -1,-0.2 0.706 117.3 41.3 -63.9 -21.7 -10.3 6.3 3.9 67 66 A T T 3< S+ 0 0 110 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.383 89.9 115.4-104.2 0.1 -13.8 7.9 3.5 68 67 A S S X> S- 0 0 12 -3,-1.6 4,-2.9 -4,-0.4 3,-1.7 -0.412 71.4-130.3 -72.2 143.1 -15.8 4.7 3.0 69 68 A P H 3> S+ 0 0 79 0, 0.0 4,-1.6 0, 0.0 5,-0.5 0.837 112.2 64.0 -54.9 -31.6 -18.4 3.6 5.6 70 69 A L H 34 S+ 0 0 67 32,-0.2 10,-1.2 2,-0.2 11,-0.1 0.544 114.6 31.7 -71.1 -8.6 -16.6 0.2 5.5 71 70 A c H <4 S+ 0 0 0 -3,-1.7 3,-0.5 8,-0.2 7,-0.2 0.731 129.7 31.8-101.5 -63.8 -13.6 2.1 6.9 72 71 A V H < S+ 0 0 42 -4,-2.9 -70,-0.2 -7,-0.2 -2,-0.2 0.822 116.6 49.0 -71.2 -40.7 -15.1 4.8 9.1 73 72 A K S < S+ 0 0 153 -4,-1.6 -1,-0.2 -5,-0.3 -3,-0.1 0.573 88.8 102.3 -83.5 -10.6 -18.3 3.4 10.5 74 73 A M S S- 0 0 72 -5,-0.5 4,-0.1 -3,-0.5 -3,-0.0 -0.314 80.0-118.8 -74.1 158.9 -16.8 0.1 11.6 75 74 A A S S+ 0 0 56 2,-0.1 2,-0.2 -74,-0.1 -1,-0.1 0.814 94.4 44.2 -67.0 -33.9 -15.9 -0.6 15.3 76 75 A E S S- 0 0 54 1,-0.1 -2,-0.1 -75,-0.1 212,-0.1 -0.560 109.3 -58.1-108.7 172.5 -12.2 -1.0 14.7 77 76 A T S S- 0 0 28 210,-0.4 5,-0.2 1,-0.2 -75,-0.2 -0.305 92.2 -52.3 -58.9 124.5 -9.6 0.9 12.6 78 77 A c >> - 0 0 0 -77,-3.3 4,-1.3 -7,-0.2 3,-0.8 0.525 63.0-175.2 17.1 66.6 -10.4 1.2 8.8 79 78 A P H 3> S+ 0 0 28 0, 0.0 4,-2.2 0, 0.0 -8,-0.2 0.878 76.9 57.3 -60.7 -38.8 -11.0 -2.6 8.2 80 79 A I H 3> S+ 0 0 5 -10,-1.2 4,-2.3 1,-0.2 5,-0.2 0.832 102.2 57.4 -64.2 -30.4 -11.4 -2.2 4.4 81 80 A F H <> S+ 0 0 3 -3,-0.8 4,-3.7 2,-0.2 -1,-0.2 0.959 107.2 46.6 -60.3 -50.5 -8.0 -0.6 4.1 82 81 A Y H X S+ 0 0 3 -4,-1.3 4,-2.7 2,-0.2 5,-0.3 0.895 110.2 53.6 -62.3 -39.0 -6.3 -3.6 5.7 83 82 A D H X S+ 0 0 12 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.959 115.5 40.4 -57.4 -49.9 -8.3 -6.0 3.4 84 83 A V H X S+ 0 0 2 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.943 114.8 51.4 -65.1 -48.4 -7.0 -4.1 0.4 85 84 A F H X S+ 0 0 21 -4,-3.7 4,-2.5 1,-0.2 -2,-0.2 0.928 114.1 42.6 -58.7 -48.3 -3.5 -3.5 1.6 86 85 A F H X S+ 0 0 0 -4,-2.7 4,-1.4 2,-0.2 6,-0.3 0.792 110.9 55.1 -71.4 -28.2 -2.9 -7.2 2.5 87 86 A A H <>S+ 0 0 0 -4,-1.8 5,-1.7 -5,-0.3 4,-0.3 0.917 112.4 45.6 -64.0 -44.3 -4.6 -8.4 -0.8 88 87 A V H ><5S+ 0 0 5 -4,-2.5 3,-1.2 1,-0.2 -2,-0.2 0.963 113.7 47.9 -59.1 -50.9 -2.1 -6.2 -2.6 89 88 A A H 3<5S+ 0 0 4 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.731 117.5 39.9 -70.2 -23.5 1.0 -7.3 -0.6 90 89 A N T 3<5S- 0 0 9 -4,-1.4 -1,-0.3 -5,-0.1 -2,-0.2 0.241 110.8-113.8-114.1 14.1 0.3 -11.0 -0.9 91 90 A G T < 5 + 0 0 26 -3,-1.2 2,-1.3 -4,-0.3 -3,-0.2 0.714 57.0 156.1 62.1 26.6 -0.8 -11.1 -4.5 92 91 A N >< + 0 0 33 -5,-1.7 4,-1.8 -6,-0.3 -1,-0.2 -0.695 13.3 176.9 -80.9 93.4 -4.4 -12.1 -3.9 93 92 A E H > S+ 0 0 104 -2,-1.3 4,-2.4 2,-0.2 -1,-0.2 0.830 74.7 55.4 -65.3 -33.6 -6.0 -10.7 -7.1 94 93 A L H > S+ 0 0 135 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.957 110.9 41.6 -67.9 -51.7 -9.5 -12.1 -6.2 95 94 A L H > S+ 0 0 10 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.850 112.9 55.8 -66.4 -34.1 -9.8 -10.4 -2.9 96 95 A L H X S+ 0 0 0 -4,-1.8 4,-2.9 2,-0.2 5,-0.2 0.967 110.1 45.3 -61.6 -49.6 -8.3 -7.2 -4.3 97 96 A D H X S+ 0 0 40 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.943 113.9 48.2 -59.3 -47.1 -11.0 -7.1 -7.0 98 97 A L H X S+ 0 0 100 -4,-2.5 4,-1.5 1,-0.2 -1,-0.2 0.930 114.3 47.0 -58.3 -45.2 -13.8 -7.8 -4.5 99 98 A S H X S+ 0 0 0 -4,-2.7 4,-0.6 1,-0.2 -1,-0.2 0.895 109.4 52.3 -69.2 -40.7 -12.5 -5.2 -2.1 100 99 A L H ><>S+ 0 0 0 -4,-2.9 5,-2.2 1,-0.2 3,-0.8 0.862 106.1 55.7 -62.7 -34.8 -12.1 -2.5 -4.8 101 100 A T H ><5S+ 0 0 89 -4,-2.1 3,-1.7 1,-0.2 -1,-0.2 0.896 99.5 61.0 -61.5 -38.6 -15.7 -3.1 -5.9 102 101 A K H 3<5S+ 0 0 106 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.694 109.3 42.1 -62.1 -22.1 -16.8 -2.4 -2.3 103 102 A V T <<5S- 0 0 12 -3,-0.8 -1,-0.3 -4,-0.6 -2,-0.2 0.128 116.3-111.5-112.6 17.4 -15.4 1.1 -2.6 104 103 A N T < 5 - 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0 0 0 -77,-3.2 4,-1.4 1,-0.1 3,-0.8 0.521 64.3-175.0 12.6 69.1 6.8 -6.5 21.9 226 78 B P H 3> S+ 0 0 25 0, 0.0 4,-2.2 0, 0.0 -8,-0.2 0.873 76.9 56.7 -60.2 -39.6 9.0 -6.0 18.8 227 79 B I H 3> S+ 0 0 6 -10,-1.3 4,-2.4 1,-0.2 5,-0.2 0.833 102.6 57.3 -62.3 -32.3 10.8 -9.3 19.0 228 80 B F H <> S+ 0 0 5 -3,-0.8 4,-3.3 2,-0.2 -1,-0.2 0.950 107.5 46.5 -61.3 -51.2 7.4 -11.2 18.9 229 81 B Y H X S+ 0 0 4 -4,-1.4 4,-2.8 2,-0.2 5,-0.3 0.903 110.6 52.6 -61.2 -39.5 6.5 -9.5 15.6 230 82 B D H X S+ 0 0 20 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.943 114.2 43.5 -58.1 -47.2 9.9 -10.3 14.1 231 83 B V H X S+ 0 0 3 -4,-2.4 4,-2.8 2,-0.2 -2,-0.2 0.952 113.6 50.8 -62.6 -51.6 9.5 -13.9 15.0 232 84 B F H X S+ 0 0 41 -4,-3.3 4,-2.7 1,-0.2 -2,-0.2 0.910 113.4 43.5 -55.3 -48.8 5.9 -14.1 13.9 233 85 B F H X S+ 0 0 0 -4,-2.8 4,-1.1 2,-0.2 6,-0.2 0.798 111.1 53.9 -73.5 -27.4 6.5 -12.6 10.5 234 86 B A H <>S+ 0 0 0 -4,-1.9 5,-2.1 -5,-0.3 4,-0.4 0.905 112.9 46.2 -65.0 -42.9 9.7 -14.7 9.9 235 87 B V H ><5S+ 0 0 5 -4,-2.8 3,-1.4 1,-0.2 -2,-0.2 0.963 112.2 49.4 -58.6 -51.6 7.5 -17.7 10.7 236 88 B A H 3<5S+ 0 0 0 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.674 117.0 41.0 -67.3 -20.2 4.6 -16.6 8.4 237 89 B N T 3<5S- 0 0 6 -4,-1.1 -1,-0.3 -3,-0.2 -2,-0.2 0.316 108.9-117.7-112.9 5.9 6.9 -15.9 5.5 238 90 B G T < 5 + 0 0 26 -3,-1.4 2,-1.2 -4,-0.4 -3,-0.2 0.786 56.2 156.4 64.7 28.7 9.2 -19.0 5.8 239 91 B N >< + 0 0 38 -5,-2.1 4,-1.9 -6,-0.2 -1,-0.2 -0.746 13.9 176.5 -87.2 98.4 12.3 -16.9 6.4 240 92 B E H > S+ 0 0 101 -2,-1.2 4,-3.0 2,-0.2 -1,-0.2 0.863 75.4 55.5 -71.0 -35.9 14.4 -19.5 8.3 241 93 B L H > S+ 0 0 133 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.952 112.1 41.5 -60.1 -52.6 17.5 -17.2 8.6 242 94 B L H > S+ 0 0 10 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.894 113.8 53.6 -66.7 -37.8 15.5 -14.4 10.2 243 95 B L H X S+ 0 0 0 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.958 110.6 46.5 -58.7 -50.8 13.7 -16.9 12.4 244 96 B D H X S+ 0 0 44 -4,-3.0 4,-2.0 1,-0.2 -2,-0.2 0.903 111.1 52.1 -56.9 -43.2 17.0 -18.4 13.6 245 97 B L H X S+ 0 0 93 -4,-2.3 4,-1.2 1,-0.2 -1,-0.2 0.912 112.6 45.8 -61.4 -42.5 18.5 -15.0 14.3 246 98 B S H X S+ 0 0 2 -4,-2.3 4,-0.7 1,-0.2 -1,-0.2 0.883 109.8 53.4 -70.5 -37.6 15.5 -13.9 16.4 247 99 B L H ><>S+ 0 0 0 -4,-2.4 5,-2.0 1,-0.2 3,-0.9 0.869 103.6 55.8 -67.0 -36.7 15.4 -17.2 18.3 248 100 B T H ><5S+ 0 0 78 -4,-2.0 3,-2.0 1,-0.2 -1,-0.2 0.902 100.7 61.3 -59.9 -38.9 19.1 -16.9 19.4 249 101 B K H 3<5S+ 0 0 119 -4,-1.2 -1,-0.2 1,-0.3 -2,-0.2 0.749 107.2 43.5 -61.0 -26.0 18.2 -13.5 20.8 250 102 B V T <<5S- 0 0 6 -3,-0.9 -1,-0.3 -4,-0.7 -2,-0.2 0.148 117.7-109.9-107.1 16.6 15.7 -15.1 23.2 251 103 B N T < 5 - 0 0 129 -3,-2.0 -3,-0.2 1,-0.2 -2,-0.1 0.858 46.9-168.9 60.2 40.4 18.1 -18.0 24.2 252 104 B A < - 0 0 16 -5,-2.0 2,-0.2 1,-0.1 -1,-0.2 -0.302 13.9-134.2 -57.3 137.5 16.0 -20.7 22.4 253 105 B T > - 0 0 58 -49,-0.1 4,-2.7 1,-0.1 5,-0.2 -0.499 29.4-102.7 -80.2 165.8 17.0 -24.3 23.2 254 106 B E H > S+ 0 0 136 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.927 123.2 49.0 -56.3 -48.9 17.3 -26.8 20.3 255 107 B P H > S+ 0 0 62 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.910 110.9 52.5 -61.6 -36.5 13.9 -28.4 21.0 256 108 B E H > S+ 0 0 6 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.936 109.8 47.3 -60.2 -46.0 12.4 -24.9 21.1 257 109 B R H X S+ 0 0 35 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.926 111.0 53.5 -57.5 -45.1 13.9 -24.1 17.7 258 110 B T H X S+ 0 0 67 -4,-2.8 4,-1.4 1,-0.2 -2,-0.2 0.903 109.0 48.0 -55.8 -47.0 12.6 -27.4 16.4 259 111 B A H X S+ 0 0 0 -4,-2.4 4,-1.4 1,-0.2 -1,-0.2 0.915 112.1 47.9 -62.8 -46.4 9.0 -26.6 17.6 260 112 B M H X S+ 0 0 8 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.881 108.0 55.7 -64.7 -36.0 9.0 -23.1 16.0 261 113 B K H X S+ 0 0 42 -4,-2.4 4,-2.8 1,-0.2 -1,-0.2 0.835 101.5 58.8 -64.4 -31.4 10.4 -24.5 12.7 262 114 B K H X S+ 0 0 52 -4,-1.4 4,-1.6 2,-0.2 -1,-0.2 0.908 106.0 48.1 -62.5 -40.9 7.4 -26.9 12.6 263 115 B I H X S+ 0 0 11 -4,-1.4 4,-1.2 2,-0.2 3,-0.4 0.950 112.5 48.3 -62.6 -48.2 5.0 -23.9 12.7 264 116 B Q H >X S+ 0 0 4 -4,-2.2 4,-2.0 1,-0.2 3,-0.6 0.900 107.5 56.1 -57.3 -42.4 7.1 -22.2 10.0 265 117 B D H 3X S+ 0 0 70 -4,-2.8 4,-2.7 1,-0.2 -1,-0.2 0.831 101.8 57.4 -58.0 -36.1 6.9 -25.5 8.0 266 118 B e H 3< S+ 0 0 1 -4,-1.6 -1,-0.2 -3,-0.4 -2,-0.2 0.780 107.3 47.5 -67.2 -30.9 3.1 -25.4 8.2 267 119 B Y H << S+ 0 0 20 -4,-1.2 6,-1.4 -3,-0.6 -2,-0.2 0.872 116.6 43.8 -69.7 -40.1 3.2 -22.0 6.5 268 120 B V H >< S+ 0 0 63 -4,-2.0 3,-1.6 4,-0.2 -2,-0.2 0.864 92.3 106.8 -73.2 -35.2 5.6 -23.3 3.8 269 121 B E G >< S- 0 0 86 -4,-2.7 3,-1.8 1,-0.3 4,-0.1 -0.140 92.9 -4.7 -57.4 132.5 3.7 -26.6 3.3 270 122 B N G 3 S- 0 0 167 1,-0.3 -1,-0.3 2,-0.1 -2,-0.1 0.703 125.1 -66.5 58.7 26.5 1.7 -27.1 0.2 271 123 B G G X> S+ 0 0 34 -3,-1.6 3,-1.2 1,-0.0 4,-0.6 0.667 91.0 142.5 71.3 20.6 2.4 -23.5 -0.9 272 124 B L H X> + 0 0 8 -3,-1.8 4,-2.8 1,-0.2 3,-1.2 0.840 65.8 64.7 -59.0 -34.7 0.4 -21.9 2.0 273 125 B I H 34 S+ 0 0 27 -6,-1.4 -1,-0.2 1,-0.3 5,-0.2 0.782 99.1 54.4 -57.0 -29.4 3.0 -19.1 2.3 274 126 B S H <4 S+ 0 0 78 -3,-1.2 -1,-0.3 -7,-0.2 -2,-0.2 0.710 115.5 39.5 -76.1 -21.4 2.0 -18.0 -1.3 275 127 B R H << S+ 0 0 138 -3,-1.2 -2,-0.2 -4,-0.6 -3,-0.1 0.885 87.6 102.5 -92.7 -48.2 -1.7 -17.8 -0.1 276 128 B V < - 0 0 11 -4,-2.8 2,-1.2 -9,-0.2 -94,-0.1 -0.015 62.3-142.8 -53.4 139.3 -1.6 -16.3 3.4 277 129 B L > - 0 0 11 -96,-0.1 3,-2.6 -186,-0.0 4,-0.4 -0.583 33.3-163.5 -89.5 65.4 -2.5 -12.6 3.9 278 130 B D T 3 S+ 0 0 10 -2,-1.2 -145,-0.0 1,-0.3 -45,-0.0 -0.351 70.7 28.2 -67.4 127.3 0.1 -12.4 6.6 279 131 B G T 3> S+ 0 0 3 -2,-0.1 4,-3.5 -147,-0.1 5,-0.4 -0.143 96.0 93.7 115.2 -33.6 -0.4 -9.4 8.6 280 132 B L H <> S+ 0 0 0 -3,-2.6 4,-2.4 2,-0.2 5,-0.1 0.970 95.1 30.2 -62.6 -57.8 -4.2 -9.2 8.1 281 133 B V H > S+ 0 0 29 -4,-0.4 4,-2.6 1,-0.2 5,-0.2 0.952 124.3 48.8 -64.0 -47.0 -5.3 -11.1 11.2 282 134 B M H > S+ 0 0 5 1,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.892 112.8 47.1 -64.1 -40.0 -2.3 -10.0 13.3 283 135 B T H X S+ 0 0 0 -4,-3.5 4,-1.9 2,-0.2 -1,-0.2 0.928 112.0 52.2 -63.3 -43.3 -2.7 -6.3 12.3 284 136 B T H < S+ 0 0 14 -4,-2.4 -2,-0.2 -5,-0.4 -1,-0.2 0.917 115.0 39.6 -62.7 -43.7 -6.4 -6.5 13.1 285 137 B I H >< S+ 0 0 0 -4,-2.6 3,-1.7 1,-0.2 6,-0.2 0.961 117.2 49.8 -67.4 -48.8 -5.9 -8.0 16.6 286 138 B S H 3< S+ 0 0 5 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.693 114.8 42.3 -66.5 -24.3 -2.9 -5.7 17.3 287 139 B S T 3< S+ 0 0 10 -4,-1.9 -210,-0.4 -5,-0.2 -1,-0.3 0.248 91.1 121.6-105.1 10.2 -4.5 -2.5 16.3 288 140 B S S X S- 0 0 1 -3,-1.7 3,-1.7 -4,-0.1 4,-0.2 -0.309 77.7-112.8 -76.7 157.0 -7.9 -3.3 18.0 289 141 B K G > S+ 0 0 105 1,-0.3 3,-1.9 2,-0.2 -1,-0.1 0.866 118.3 62.3 -51.9 -39.9 -9.5 -1.2 20.7 290 142 B D G 3 S+ 0 0 123 1,-0.3 -1,-0.3 2,-0.2 -137,-0.1 0.745 100.3 55.0 -57.3 -26.1 -8.8 -4.1 23.1 291 143 B d G < 0 0 26 -3,-1.7 -1,-0.3 -6,-0.2 -2,-0.2 0.396 360.0 360.0 -93.4 1.6 -5.1 -3.6 22.5 292 144 B M < 0 0 134 -3,-1.9 -1,-0.2 -4,-0.2 -2,-0.2 0.748 360.0 360.0 -82.0 360.0 -5.1 0.2 23.4