==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-MAY-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION 04-JAN-12 4ADZ . COMPND 2 MOLECULE: CSOR; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES LIVIDANS; . AUTHOR S.DWARAKANATH,M.A.HOUGH,J.A.R.WORRALL . 180 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12656.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 162 90.0 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 147 81.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.1 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 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 2 0 0 0 2 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 44 A Y > 0 0 176 0, 0.0 4,-2.5 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -49.7 1.3 15.6 59.4 2 45 A H H > + 0 0 166 2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.869 360.0 48.8 -54.8 -41.0 1.4 12.2 57.7 3 46 A K H > S+ 0 0 187 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.920 112.9 47.2 -67.7 -42.2 0.3 13.7 54.4 4 47 A Q H > S+ 0 0 65 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.865 111.0 52.9 -63.7 -38.7 3.0 16.4 54.7 5 48 A K H X S+ 0 0 108 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.912 109.2 47.4 -63.2 -43.9 5.5 13.8 55.5 6 49 A A H X S+ 0 0 45 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.909 111.8 51.2 -65.4 -40.5 4.7 11.7 52.5 7 50 A E H X S+ 0 0 59 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.895 109.6 50.2 -64.8 -41.4 4.8 14.8 50.3 8 51 A H H X S+ 0 0 30 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.900 110.5 49.1 -63.5 -44.5 8.3 15.7 51.7 9 52 A L H X S+ 0 0 98 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.909 109.8 51.8 -62.4 -40.9 9.7 12.3 51.1 10 53 A K H X S+ 0 0 121 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.910 108.7 51.3 -62.3 -43.6 8.3 12.3 47.5 11 54 A R H X S+ 0 0 60 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.915 111.6 47.0 -58.8 -43.3 10.1 15.7 46.9 12 55 A L H X S+ 0 0 68 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.842 106.9 56.6 -71.6 -36.5 13.4 14.3 48.2 13 56 A R H X S+ 0 0 192 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.926 109.0 49.1 -52.9 -45.8 13.1 11.1 46.0 14 57 A R H X S+ 0 0 195 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.950 111.1 48.8 -58.7 -52.1 12.8 13.4 43.0 15 58 A I H X S+ 0 0 13 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.904 108.7 50.6 -58.2 -42.4 15.8 15.3 44.1 16 59 A E H X S+ 0 0 95 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.897 107.8 57.1 -63.7 -37.7 17.9 12.3 44.6 17 60 A G H X S+ 0 0 24 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.895 106.4 49.3 -50.8 -46.1 16.8 11.2 41.1 18 61 A Q H X S+ 0 0 31 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.889 109.6 50.2 -63.5 -41.2 18.2 14.5 39.8 19 62 A I H X S+ 0 0 57 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.889 108.5 51.5 -70.1 -39.7 21.5 14.0 41.6 20 63 A R H X S+ 0 0 116 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.906 109.1 53.7 -58.5 -42.6 21.8 10.5 40.1 21 64 A G H X S+ 0 0 10 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.900 105.2 52.5 -53.5 -46.3 21.1 12.2 36.8 22 65 A L H X S+ 0 0 25 -4,-2.2 4,-2.3 2,-0.2 5,-0.2 0.889 107.7 51.5 -58.1 -42.4 24.0 14.5 37.4 23 66 A Q H X S+ 0 0 120 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.927 110.1 48.9 -62.6 -43.1 26.4 11.6 38.1 24 67 A R H X S+ 0 0 135 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.872 110.5 52.0 -62.9 -39.3 25.4 9.9 34.8 25 68 A M H <>S+ 0 0 27 -4,-2.4 5,-2.8 2,-0.2 -1,-0.2 0.921 112.7 43.9 -64.8 -42.9 25.9 13.2 32.9 26 69 A V H ><5S+ 0 0 90 -4,-2.3 3,-1.5 1,-0.2 -2,-0.2 0.913 112.7 52.7 -66.5 -42.7 29.4 13.6 34.3 27 70 A D H 3<5S+ 0 0 134 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.861 111.9 46.1 -59.7 -36.9 30.1 9.9 33.8 28 71 A E T 3<5S- 0 0 129 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.213 113.7-116.2 -92.8 9.9 29.1 10.3 30.1 29 72 A D T < 5 - 0 0 145 -3,-1.5 -3,-0.2 1,-0.2 3,-0.1 0.847 45.9-175.4 56.3 41.3 31.0 13.6 29.5 30 73 A V < - 0 0 40 -5,-2.8 -1,-0.2 -6,-0.2 5,-0.1 -0.336 40.6 -82.2 -63.6 143.0 27.9 15.6 28.9 31 74 A Y >> - 0 0 172 1,-0.1 4,-1.7 3,-0.1 3,-0.8 -0.196 40.9-124.0 -52.6 135.2 28.5 19.2 27.9 32 75 A C H 3> S+ 0 0 74 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.827 106.0 56.6 -59.1 -34.3 29.1 21.2 31.0 33 76 A I H 3> S+ 0 0 85 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.890 105.1 52.2 -63.0 -39.2 26.3 23.8 30.3 34 77 A D H <> S+ 0 0 87 -3,-0.8 4,-1.6 2,-0.2 -1,-0.2 0.894 110.2 50.4 -64.1 -38.1 23.7 21.1 30.1 35 78 A I H X S+ 0 0 28 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.922 108.1 52.0 -64.7 -46.2 25.0 19.8 33.5 36 79 A L H X S+ 0 0 99 -4,-2.4 4,-2.6 1,-0.2 5,-0.2 0.920 105.5 55.4 -55.6 -41.3 24.8 23.3 35.0 37 80 A T H X S+ 0 0 90 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.913 110.2 44.6 -57.1 -44.0 21.2 23.6 33.8 38 81 A Q H X S+ 0 0 55 -4,-1.6 4,-2.0 2,-0.2 -1,-0.2 0.850 110.2 55.7 -70.2 -35.1 20.4 20.3 35.8 39 82 A V H X S+ 0 0 59 -4,-2.5 4,-2.9 2,-0.2 5,-0.2 0.929 108.9 48.2 -59.1 -45.7 22.4 21.6 38.8 40 83 A S H X S+ 0 0 80 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.924 109.5 52.1 -67.4 -38.5 20.2 24.7 38.8 41 84 A A H X S+ 0 0 38 -4,-2.0 4,-1.9 -5,-0.2 -1,-0.2 0.889 111.1 47.5 -60.8 -41.6 17.1 22.7 38.6 42 85 A S H X S+ 0 0 4 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.899 112.0 49.0 -69.1 -38.8 18.2 20.5 41.6 43 86 A T H X S+ 0 0 51 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.932 110.2 52.1 -66.6 -41.9 19.1 23.6 43.7 44 87 A K H X S+ 0 0 138 -4,-2.7 4,-2.4 -5,-0.2 -1,-0.2 0.913 108.8 50.4 -58.4 -43.1 15.7 25.1 42.8 45 88 A A H X S+ 0 0 27 -4,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.890 109.9 50.1 -64.0 -39.8 13.9 21.9 44.0 46 89 A L H X S+ 0 0 79 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.879 110.9 49.7 -63.5 -41.0 15.9 22.0 47.3 47 90 A Q H X S+ 0 0 36 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.911 110.2 49.7 -64.8 -39.9 14.9 25.6 47.8 48 91 A S H X S+ 0 0 47 -4,-2.4 4,-1.7 1,-0.2 -2,-0.2 0.889 111.2 49.7 -66.7 -42.6 11.3 24.9 47.1 49 92 A F H X S+ 0 0 33 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.926 110.4 51.2 -57.0 -46.2 11.4 21.9 49.6 50 93 A A H X S+ 0 0 30 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.925 109.0 50.6 -62.2 -42.4 13.0 24.3 52.2 51 94 A L H X S+ 0 0 28 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.877 107.9 52.4 -66.5 -37.1 10.2 26.9 51.8 52 95 A Q H X S+ 0 0 67 -4,-1.7 4,-2.3 2,-0.2 -1,-0.2 0.921 111.2 46.7 -64.2 -43.5 7.6 24.2 52.2 53 96 A L H X S+ 0 0 67 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.917 113.2 50.2 -65.4 -37.7 9.2 23.1 55.5 54 97 A L H X S+ 0 0 19 -4,-2.7 4,-2.8 2,-0.2 -2,-0.2 0.934 110.0 49.0 -66.6 -46.4 9.5 26.7 56.6 55 98 A E H X S+ 0 0 35 -4,-2.7 4,-2.7 2,-0.2 5,-0.2 0.948 111.6 49.3 -56.4 -48.1 5.9 27.6 55.9 56 99 A E H X S+ 0 0 19 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.922 112.1 49.6 -58.7 -44.0 4.7 24.4 57.8 57 100 A H H X S+ 0 0 62 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.924 111.0 48.2 -61.3 -45.4 6.9 25.5 60.7 58 101 A L H X S+ 0 0 2 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.891 108.8 54.0 -64.5 -39.1 5.6 29.0 60.8 59 102 A R H X S+ 0 0 104 -4,-2.7 4,-2.7 1,-0.2 -1,-0.2 0.891 109.1 49.5 -57.3 -45.9 2.0 27.7 60.6 60 103 A H H X S+ 0 0 84 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.888 107.1 53.2 -61.8 -39.8 2.8 25.6 63.7 61 104 A C H X S+ 0 0 17 -4,-2.1 4,-0.6 2,-0.2 -2,-0.2 0.916 111.4 48.2 -62.2 -39.2 4.3 28.5 65.5 62 105 A V H >< S+ 0 0 2 -4,-2.5 3,-1.0 1,-0.2 4,-0.4 0.941 110.6 50.5 -63.0 -44.1 1.0 30.4 64.7 63 106 A A H 3< S+ 0 0 55 -4,-2.7 3,-0.2 1,-0.3 -1,-0.2 0.830 119.8 35.6 -64.6 -35.7 -1.2 27.4 65.9 64 107 A D H >X S+ 0 0 69 -4,-1.9 3,-1.5 1,-0.2 4,-0.6 0.322 86.1 106.5 -98.6 0.6 0.7 27.2 69.2 65 108 A A H XX S+ 0 0 1 -3,-1.0 3,-1.1 -4,-0.6 4,-0.9 0.827 75.1 54.3 -57.8 -38.8 1.4 30.9 69.8 66 109 A A H 34 S+ 0 0 71 -4,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.713 110.1 49.8 -71.9 -20.2 -1.2 31.4 72.6 67 110 A L H <4 S+ 0 0 142 -3,-1.5 -1,-0.3 1,-0.1 -2,-0.2 0.568 103.9 61.0 -84.4 -11.6 0.4 28.5 74.6 68 111 A K H << S- 0 0 94 -3,-1.1 4,-0.4 -4,-0.6 -2,-0.2 0.838 86.8-132.2 -99.0 -31.7 4.0 29.7 74.3 69 112 A G X - 0 0 43 -4,-0.9 4,-2.2 1,-0.1 5,-0.2 0.029 34.3 -79.0 87.7 153.7 4.6 33.0 75.9 70 113 A G H > S+ 0 0 49 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.857 124.1 52.9 -64.4 -39.5 6.5 36.1 74.5 71 114 A T H > S+ 0 0 126 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.938 111.6 44.3 -63.4 -48.6 10.0 34.8 75.2 72 115 A E H > S+ 0 0 64 -4,-0.4 4,-2.5 2,-0.2 5,-0.2 0.889 112.3 53.4 -67.5 -37.1 9.6 31.5 73.4 73 116 A I H X S+ 0 0 8 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.946 110.4 47.7 -59.5 -49.4 7.8 33.2 70.5 74 117 A D H X S+ 0 0 75 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.908 111.9 48.9 -58.9 -46.2 10.7 35.6 70.1 75 118 A A H X S+ 0 0 55 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.910 111.9 48.7 -60.7 -44.2 13.3 32.8 70.2 76 119 A K H X S+ 0 0 76 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.906 113.9 46.9 -62.2 -42.4 11.4 30.7 67.6 77 120 A V H X S+ 0 0 2 -4,-2.5 4,-2.4 -5,-0.2 -2,-0.2 0.923 111.6 50.5 -70.0 -37.7 11.1 33.7 65.3 78 121 A E H X S+ 0 0 89 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.940 112.2 48.6 -60.5 -45.0 14.8 34.6 65.8 79 122 A E H X S+ 0 0 113 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.902 112.2 47.1 -63.4 -45.4 15.7 31.0 65.0 80 123 A A H X S+ 0 0 4 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.900 110.4 53.5 -63.5 -38.0 13.5 30.9 61.8 81 124 A T H X S+ 0 0 10 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.911 108.4 49.5 -65.6 -42.0 14.9 34.2 60.7 82 125 A K H X S+ 0 0 131 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.926 110.6 49.4 -61.1 -44.0 18.5 32.9 61.0 83 126 A A H X S+ 0 0 59 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.889 110.6 51.9 -60.5 -39.2 17.5 29.7 59.0 84 127 A I H X S+ 0 0 1 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.930 108.3 51.5 -65.6 -42.4 16.0 32.1 56.4 85 128 A G H X S+ 0 0 4 -4,-2.6 4,-1.0 2,-0.2 -2,-0.2 0.921 109.6 48.7 -57.7 -41.0 19.3 34.0 56.3 86 129 A R H >< S+ 0 0 172 -4,-2.4 3,-0.7 1,-0.2 -2,-0.2 0.921 111.0 51.2 -69.8 -41.4 21.3 30.8 55.7 87 130 A L H >< S+ 0 0 28 -4,-2.4 3,-1.6 1,-0.2 -1,-0.2 0.891 106.4 55.2 -57.1 -43.5 18.8 29.9 52.9 88 131 A L H 3< S+ 0 0 5 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.753 96.9 64.3 -61.8 -27.4 19.3 33.3 51.3 89 132 A R T << 0 0 166 -4,-1.0 -1,-0.3 -3,-0.7 -2,-0.2 0.369 360.0 360.0 -84.7 -0.4 23.0 32.8 51.2 90 133 A T < 0 0 119 -3,-1.6 -1,-0.3 -4,-0.1 -2,-0.1 -0.285 360.0 360.0-106.8 360.0 22.5 29.9 48.8 91 !* 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 92 44 B Y > 0 0 200 0, 0.0 4,-1.8 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -45.1 8.2 51.1 65.7 93 45 B H H > + 0 0 161 2,-0.2 4,-1.7 3,-0.2 5,-0.1 0.829 360.0 44.9 -67.7 -38.2 9.7 54.6 65.7 94 46 B K H > S+ 0 0 184 2,-0.2 4,-2.0 1,-0.2 -1,-0.1 0.904 114.2 48.9 -71.6 -43.7 13.2 53.3 66.7 95 47 B Q H > S+ 0 0 50 1,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.899 109.0 54.3 -62.5 -38.8 13.0 50.5 64.2 96 48 B K H X S+ 0 0 119 -4,-1.8 4,-2.7 1,-0.2 -1,-0.2 0.946 108.1 48.7 -59.8 -47.1 11.9 53.0 61.5 97 49 B A H X S+ 0 0 42 -4,-1.7 4,-2.1 1,-0.2 -1,-0.2 0.889 112.3 49.1 -57.4 -39.9 15.0 55.1 62.3 98 50 B E H X S+ 0 0 52 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.899 109.7 51.4 -73.9 -36.5 17.2 52.0 62.0 99 51 B H H X S+ 0 0 30 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.917 110.4 49.4 -61.3 -44.1 15.5 51.0 58.7 100 52 B L H X S+ 0 0 100 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.902 108.7 51.8 -64.7 -39.6 16.2 54.5 57.3 101 53 B K H X S+ 0 0 110 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.934 108.7 51.6 -65.8 -42.2 19.9 54.5 58.4 102 54 B R H X S+ 0 0 34 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.929 111.3 47.7 -54.7 -46.2 20.4 51.1 56.7 103 55 B L H X S+ 0 0 68 -4,-2.0 4,-2.5 1,-0.2 -1,-0.2 0.829 107.1 55.7 -70.7 -34.1 18.9 52.5 53.5 104 56 B R H X S+ 0 0 196 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.915 109.2 47.8 -58.1 -43.3 21.1 55.7 53.6 105 57 B R H X S+ 0 0 141 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.890 110.8 51.5 -66.5 -40.4 24.2 53.5 53.8 106 58 B I H X S+ 0 0 13 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.915 108.3 50.8 -63.2 -40.1 22.8 51.4 50.8 107 59 B E H X S+ 0 0 104 -4,-2.5 4,-2.8 1,-0.2 -2,-0.2 0.920 107.6 54.9 -66.2 -37.8 22.2 54.5 48.8 108 60 B G H X S+ 0 0 22 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.891 106.9 50.8 -53.9 -45.7 25.9 55.5 49.6 109 61 B Q H X S+ 0 0 45 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.889 109.0 49.8 -61.4 -40.7 27.0 52.2 48.2 110 62 B I H X S+ 0 0 58 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.917 109.3 50.8 -67.5 -43.7 25.1 52.7 45.0 111 63 B R H X S+ 0 0 115 -4,-2.8 4,-2.1 2,-0.2 -1,-0.2 0.894 108.1 55.2 -56.6 -37.2 26.6 56.3 44.6 112 64 B G H X S+ 0 0 9 -4,-1.9 4,-2.7 -5,-0.2 -2,-0.2 0.920 105.9 50.8 -61.3 -43.6 30.0 54.6 45.1 113 65 B L H X S+ 0 0 23 -4,-2.0 4,-2.7 1,-0.2 5,-0.3 0.925 107.8 53.5 -59.9 -44.2 29.2 52.2 42.2 114 66 B Q H X S+ 0 0 126 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.927 110.6 45.3 -55.6 -47.6 28.3 55.1 40.0 115 67 B R H X S+ 0 0 132 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.892 111.1 54.2 -66.1 -39.0 31.7 56.8 40.7 116 68 B M H <>S+ 0 0 38 -4,-2.7 5,-2.7 2,-0.2 -2,-0.2 0.928 112.6 42.2 -56.7 -48.7 33.5 53.5 40.2 117 69 B V H ><5S+ 0 0 89 -4,-2.7 3,-1.5 3,-0.2 -2,-0.2 0.899 114.1 51.9 -62.0 -45.5 31.9 53.1 36.8 118 70 B D H 3<5S+ 0 0 138 -4,-2.5 -2,-0.2 -5,-0.3 -1,-0.2 0.884 112.3 46.5 -61.1 -36.8 32.5 56.8 36.0 119 71 B E T 3<5S- 0 0 131 -4,-2.6 -1,-0.3 -5,-0.1 -2,-0.2 0.174 113.3-116.5 -91.9 13.7 36.2 56.4 37.0 120 72 B D T < 5 - 0 0 147 -3,-1.5 -3,-0.2 1,-0.1 -2,-0.1 0.830 45.9-176.8 51.4 42.3 36.7 53.2 34.9 121 73 B V < - 0 0 44 -5,-2.7 -1,-0.1 -6,-0.2 5,-0.1 -0.333 41.4 -82.6 -66.4 147.3 37.5 51.1 38.0 122 74 B Y >> - 0 0 157 1,-0.1 4,-1.6 3,-0.1 3,-1.0 -0.314 40.5-124.8 -54.8 131.6 38.4 47.5 37.3 123 75 B C H 3> S+ 0 0 76 1,-0.3 4,-2.7 2,-0.2 5,-0.1 0.789 106.3 58.5 -57.6 -29.2 35.2 45.5 36.8 124 76 B I H 3> S+ 0 0 85 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.886 106.2 49.9 -68.3 -35.9 36.0 42.8 39.5 125 77 B D H <> S+ 0 0 82 -3,-1.0 4,-1.7 2,-0.2 -1,-0.2 0.891 109.7 51.6 -65.5 -39.1 36.3 45.6 42.1 126 78 B I H X S+ 0 0 29 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.947 109.0 50.8 -61.2 -43.8 32.9 46.9 40.9 127 79 B L H X S+ 0 0 100 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.870 104.6 56.8 -64.7 -37.9 31.4 43.4 41.3 128 80 B T H X S+ 0 0 92 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.906 109.7 46.0 -57.0 -40.5 32.8 43.2 44.9 129 81 B Q H X S+ 0 0 49 -4,-1.7 4,-2.1 -3,-0.2 -2,-0.2 0.850 108.4 55.0 -73.4 -33.4 30.9 46.4 45.6 130 82 B V H X S+ 0 0 57 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.919 109.6 48.4 -62.1 -44.7 27.7 45.1 43.9 131 83 B S H X S+ 0 0 73 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.886 109.4 52.4 -60.2 -43.6 27.9 42.0 46.2 132 84 B A H X S+ 0 0 36 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.892 111.9 46.3 -58.6 -41.1 28.4 44.3 49.2 133 85 B S H X S+ 0 0 4 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.874 112.8 47.8 -71.4 -41.2 25.2 46.3 48.2 134 86 B T H X S+ 0 0 71 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.911 111.0 52.6 -68.0 -41.4 23.1 43.2 47.6 135 87 B K H X S+ 0 0 155 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.892 109.5 49.1 -56.4 -41.1 24.3 41.7 50.9 136 88 B A H X S+ 0 0 22 -4,-1.8 4,-2.1 1,-0.2 -2,-0.2 0.902 110.9 50.1 -70.7 -37.3 23.2 45.0 52.7 137 89 B L H X S+ 0 0 77 -4,-2.1 4,-2.7 2,-0.2 -1,-0.2 0.890 111.1 48.8 -62.8 -41.9 19.8 44.8 51.0 138 90 B Q H X S+ 0 0 48 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.927 109.8 51.4 -66.8 -41.5 19.4 41.2 52.0 139 91 B S H X S+ 0 0 50 -4,-2.5 4,-1.8 2,-0.2 -2,-0.2 0.896 111.2 48.8 -59.6 -40.9 20.3 42.1 55.6 140 92 B F H X S+ 0 0 34 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.931 110.7 50.5 -62.6 -45.2 17.7 44.9 55.5 141 93 B A H X S+ 0 0 16 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.879 109.4 50.9 -59.9 -41.9 15.1 42.5 54.1 142 94 B L H X S+ 0 0 27 -4,-2.4 4,-2.9 1,-0.2 -1,-0.2 0.892 107.9 52.2 -71.0 -36.8 15.8 40.0 56.9 143 95 B Q H X S+ 0 0 42 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.933 112.5 45.3 -59.7 -46.8 15.4 42.7 59.6 144 96 B L H X S+ 0 0 67 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.915 114.0 50.4 -64.6 -38.6 12.0 43.6 58.2 145 97 B L H X S+ 0 0 16 -4,-2.6 4,-2.9 2,-0.2 5,-0.2 0.925 108.6 50.4 -68.2 -48.7 11.1 40.0 57.9 146 98 B E H X S+ 0 0 39 -4,-2.9 4,-2.6 1,-0.2 -1,-0.2 0.923 112.5 47.4 -53.5 -48.5 12.0 39.2 61.5 147 99 B E H X S+ 0 0 12 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.907 113.8 47.3 -62.0 -41.7 10.0 42.1 62.8 148 100 B H H X S+ 0 0 65 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.898 112.3 48.3 -69.1 -41.8 6.9 41.1 60.7 149 101 B L H X S+ 0 0 2 -4,-2.9 4,-2.6 2,-0.2 5,-0.3 0.915 109.4 53.6 -67.6 -37.0 7.1 37.5 61.7 150 102 B R H X S+ 0 0 63 -4,-2.6 4,-2.7 -5,-0.2 5,-0.2 0.941 111.6 46.9 -54.8 -50.7 7.4 38.6 65.4 151 103 B H H X S+ 0 0 80 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.910 111.2 51.0 -58.5 -42.0 4.2 40.6 64.9 152 104 B C H X S+ 0 0 2 -4,-2.6 4,-1.9 2,-0.2 -1,-0.2 0.918 114.3 41.2 -63.0 -49.7 2.4 37.8 63.1 153 105 B V H X S+ 0 0 6 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.927 115.8 51.1 -70.6 -42.5 3.1 35.2 65.8 154 106 B A H X S+ 0 0 35 -4,-2.7 4,-1.9 -5,-0.3 -2,-0.2 0.899 111.2 49.1 -59.3 -41.6 2.4 37.7 68.7 155 107 B D H X S+ 0 0 81 -4,-2.7 4,-1.7 -5,-0.2 5,-0.3 0.875 106.9 53.8 -65.1 -37.2 -0.8 38.6 67.0 156 108 B A H X S+ 0 0 3 -4,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.854 109.1 51.0 -61.8 -39.4 -1.8 34.9 66.7 157 109 B A H < S+ 0 0 31 -4,-2.0 -2,-0.2 -92,-0.2 -1,-0.2 0.915 113.0 45.2 -63.8 -42.6 -1.2 34.6 70.5 158 110 B L H < S+ 0 0 149 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.765 126.5 27.6 -73.1 -29.0 -3.4 37.6 71.3 159 111 B K H < S- 0 0 155 -4,-1.7 -2,-0.2 -5,-0.1 -3,-0.2 0.713 96.1-145.6-108.6 -26.5 -6.3 36.7 69.0 160 112 B G < + 0 0 27 -4,-2.4 3,-0.3 -5,-0.3 -3,-0.1 -0.022 52.9 70.3 78.8 174.2 -6.1 32.9 68.8 161 113 B G S S- 0 0 49 -98,-0.2 -1,-0.2 1,-0.2 3,-0.1 -0.203 88.6 -83.9 73.0-170.7 -7.0 30.6 65.9 162 114 B T S > S+ 0 0 75 1,-0.1 3,-2.3 2,-0.1 4,-0.2 0.186 83.6 116.5-125.1 16.5 -5.0 30.2 62.7 163 115 B E T > S+ 0 0 114 -3,-0.3 3,-1.7 1,-0.3 4,-0.4 0.815 70.7 68.8 -58.2 -28.3 -6.3 33.2 60.5 164 116 B I T 3> S+ 0 0 32 1,-0.3 4,-2.1 2,-0.2 3,-0.3 0.599 74.5 88.2 -68.0 -11.4 -2.6 34.6 60.6 165 117 B D H <> S+ 0 0 16 -3,-2.3 4,-2.3 1,-0.2 -1,-0.3 0.820 79.9 60.8 -52.1 -32.5 -1.7 31.6 58.4 166 118 B A H <> S+ 0 0 66 -3,-1.7 4,-2.5 -4,-0.2 -1,-0.2 0.925 104.7 47.9 -61.0 -43.0 -2.6 33.8 55.4 167 119 B K H > S+ 0 0 99 -4,-0.4 4,-2.8 -3,-0.3 -2,-0.2 0.876 108.7 54.0 -66.0 -39.1 0.1 36.2 56.5 168 120 B V H X S+ 0 0 2 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.912 110.0 47.0 -57.2 -47.7 2.5 33.2 56.9 169 121 B E H X S+ 0 0 84 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.913 111.6 50.6 -62.4 -43.8 1.8 32.1 53.3 170 122 B E H X S+ 0 0 106 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.937 112.1 47.8 -61.4 -43.6 2.3 35.7 52.1 171 123 B A H X S+ 0 0 4 -4,-2.8 4,-2.5 2,-0.2 -2,-0.2 0.878 109.1 53.2 -59.8 -37.6 5.6 35.9 53.9 172 124 B T H X S+ 0 0 8 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.914 108.2 50.7 -68.4 -39.8 6.8 32.6 52.5 173 125 B K H X S+ 0 0 110 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.913 109.3 51.5 -64.7 -40.5 6.0 33.9 49.0 174 126 B A H X S+ 0 0 32 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.908 109.3 49.5 -59.4 -44.9 8.1 37.0 49.8 175 127 B I H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.927 108.3 53.7 -59.6 -49.3 11.0 34.9 51.0 176 128 B G H X S+ 0 0 8 -4,-2.5 4,-1.2 2,-0.2 -2,-0.2 0.893 108.7 49.6 -51.5 -41.6 10.8 32.8 47.8 177 129 B R H >X S+ 0 0 133 -4,-2.0 4,-0.8 1,-0.2 3,-0.5 0.927 110.8 49.5 -66.2 -42.0 11.0 36.0 45.7 178 130 B L H >< S+ 0 0 46 -4,-2.3 3,-0.7 1,-0.2 -2,-0.2 0.884 106.4 57.8 -61.3 -38.7 14.0 37.2 47.7 179 131 B L H 3< S+ 0 0 12 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.796 105.1 49.3 -67.2 -28.4 15.6 33.8 47.1 180 132 B R H << 0 0 167 -4,-1.2 -1,-0.2 -3,-0.5 -2,-0.2 0.735 360.0 360.0 -76.9 -21.7 15.4 34.2 43.3 181 133 B T << 0 0 147 -4,-0.8 -1,-0.2 -3,-0.7 -2,-0.2 0.111 360.0 360.0-108.9 360.0 17.0 37.6 43.3