==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER UNKNOWN FUNCTION 04-JUN-13 4L2M . COMPND 2 MOLECULE: CYANOGLOBIN; . SOURCE 2 ORGANISM_SCIENTIFIC: SYNECHOCOCCUS SP.; . AUTHOR B.B.WENKE,J.L.SCHLESSMAN,A.HEROUX,J.T.J.LECOMTE . 246 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13825.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 182 74.0 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 . 4 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 134 54.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 3.7 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 1 1 0 1 1 0 1 3 0 0 0 2 1 3 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 2 A A 0 0 60 0, 0.0 5,-0.1 0, 0.0 54,-0.0 0.000 360.0 360.0 360.0-161.6 0.2 -21.4 20.3 2 3 A S > - 0 0 10 53,-0.2 4,-2.0 1,-0.1 53,-0.2 -0.099 360.0-119.2 -48.1 151.3 0.7 -17.7 20.6 3 4 A L H > S+ 0 0 12 51,-0.8 4,-2.1 2,-0.2 5,-0.2 0.918 116.8 61.9 -59.1 -44.0 0.2 -16.0 24.0 4 5 A Y H >>S+ 0 0 42 50,-2.4 5,-2.6 1,-0.2 4,-0.6 0.920 105.9 44.7 -42.1 -53.9 -2.5 -14.0 22.2 5 6 A E H >45S+ 0 0 121 49,-0.3 3,-1.5 3,-0.2 -1,-0.2 0.926 110.2 52.5 -62.7 -47.2 -4.4 -17.2 21.5 6 7 A K H 3<5S+ 0 0 109 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.743 105.2 57.0 -63.8 -26.9 -4.0 -18.7 25.0 7 8 A L H 3<5S- 0 0 31 -4,-2.1 -1,-0.3 -3,-0.2 -2,-0.2 0.673 132.9 -96.1 -71.0 -20.9 -5.4 -15.4 26.4 8 9 A G T S+ 0 0 44 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.833 132.4 47.5 -60.6 -39.5 -9.2 -10.9 19.7 11 12 A A H > S+ 0 0 79 -3,-0.5 4,-1.8 2,-0.2 -1,-0.2 0.817 112.6 47.9 -78.4 -29.8 -12.3 -10.8 21.9 12 13 A A H X S+ 0 0 31 -4,-0.5 4,-3.1 -3,-0.4 -2,-0.2 0.945 113.1 47.9 -74.6 -48.0 -10.4 -11.4 25.2 13 14 A V H X S+ 0 0 5 -4,-2.2 4,-2.8 2,-0.2 5,-0.2 0.896 111.2 52.0 -52.7 -47.9 -7.8 -8.8 24.4 14 15 A D H X S+ 0 0 62 -4,-2.1 4,-1.8 -5,-0.2 -1,-0.2 0.925 111.3 47.1 -54.8 -48.2 -10.6 -6.4 23.5 15 16 A L H X S+ 0 0 97 -4,-1.8 4,-2.7 2,-0.2 5,-0.3 0.953 112.6 48.7 -60.2 -50.8 -12.3 -7.1 26.8 16 17 A A H X S+ 0 0 13 -4,-3.1 4,-3.1 1,-0.2 -2,-0.2 0.913 109.9 51.0 -60.5 -45.0 -9.0 -6.7 28.8 17 18 A V H X S+ 0 0 2 -4,-2.8 4,-2.1 2,-0.2 -1,-0.2 0.864 111.6 50.0 -59.8 -34.1 -8.1 -3.4 27.0 18 19 A E H X S+ 0 0 85 -4,-1.8 4,-1.8 -3,-0.2 -2,-0.2 0.961 114.4 42.0 -68.3 -50.1 -11.6 -2.1 27.9 19 20 A K H X S+ 0 0 64 -4,-2.7 4,-1.8 1,-0.2 -2,-0.2 0.893 112.8 56.9 -61.9 -39.3 -11.3 -3.0 31.5 20 21 A F H X S+ 0 0 3 -4,-3.1 4,-2.0 -5,-0.3 -2,-0.2 0.929 108.3 44.3 -60.6 -46.2 -7.8 -1.7 31.5 21 22 A Y H X S+ 0 0 4 -4,-2.1 4,-2.7 1,-0.2 -1,-0.2 0.774 104.8 62.9 -76.9 -24.3 -8.7 1.7 30.4 22 23 A G H X S+ 0 0 44 -4,-1.8 4,-1.0 2,-0.2 -1,-0.2 0.933 109.4 42.5 -56.2 -45.2 -11.6 1.9 32.8 23 24 A K H < S+ 0 0 38 -4,-1.8 -2,-0.2 2,-0.2 3,-0.2 0.907 114.0 50.3 -70.0 -41.0 -9.0 1.6 35.5 24 25 A V H >< S+ 0 0 0 -4,-2.0 3,-2.0 1,-0.2 6,-0.3 0.943 110.0 49.2 -65.0 -46.0 -6.7 4.0 33.9 25 26 A L H 3< S+ 0 0 76 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.742 113.9 48.1 -65.4 -22.3 -9.4 6.7 33.4 26 27 A A T 3< S+ 0 0 83 -4,-1.0 2,-0.7 -3,-0.2 -1,-0.3 0.235 91.5 95.0 -99.4 11.4 -10.3 6.2 37.1 27 28 A D X> - 0 0 19 -3,-2.0 4,-2.7 1,-0.1 3,-2.0 -0.861 57.7-163.4-109.5 101.8 -6.7 6.4 38.3 28 29 A E T 34 S+ 0 0 168 -2,-0.7 4,-0.4 1,-0.3 -1,-0.1 0.730 84.6 69.0 -53.8 -26.8 -5.8 10.0 39.4 29 30 A R T 34 S+ 0 0 110 1,-0.2 -1,-0.3 2,-0.1 56,-0.1 0.781 124.0 3.9 -65.6 -29.1 -2.1 9.3 39.2 30 31 A V T X4 S+ 0 0 3 -3,-2.0 3,-1.8 -6,-0.3 4,-0.3 0.501 100.5 96.3-132.1 -12.7 -2.1 9.0 35.4 31 32 A N G >< S+ 0 0 49 -4,-2.7 3,-1.7 1,-0.3 4,-0.2 0.760 72.7 72.5 -68.0 -19.7 -5.6 9.8 34.0 32 33 A R G > S+ 0 0 210 -4,-0.4 3,-1.4 1,-0.3 -1,-0.3 0.815 87.3 66.7 -61.3 -25.2 -4.7 13.5 33.3 33 34 A F G < S+ 0 0 40 -3,-1.8 -1,-0.3 1,-0.3 3,-0.2 0.699 103.7 43.8 -69.6 -19.3 -2.6 12.2 30.3 34 35 A F G X S+ 0 0 35 -3,-1.7 3,-1.5 -4,-0.3 -1,-0.3 0.272 78.5 109.5-106.5 13.5 -5.7 11.0 28.5 35 36 A V T < S+ 0 0 112 -3,-1.4 -1,-0.1 1,-0.3 -2,-0.1 0.792 92.5 28.6 -67.8 -25.7 -7.8 14.1 29.2 36 37 A N T 3 S+ 0 0 158 -4,-0.2 2,-0.3 -3,-0.2 -1,-0.3 0.215 98.6 116.7-110.9 8.1 -7.7 15.1 25.5 37 38 A T < - 0 0 53 -3,-1.5 2,-0.6 1,-0.0 3,-0.1 -0.619 68.5-126.9 -87.7 136.4 -7.3 11.6 24.0 38 39 A D > - 0 0 85 -2,-0.3 4,-1.6 1,-0.2 5,-0.1 -0.745 28.0-163.5 -74.8 116.8 -9.9 10.0 21.7 39 40 A M H > S+ 0 0 32 -2,-0.6 4,-2.6 2,-0.2 5,-0.2 0.823 79.2 57.9 -89.4 -28.2 -10.3 6.9 23.7 40 41 A A H > S+ 0 0 73 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.940 112.8 44.8 -58.8 -45.5 -12.0 4.6 21.1 41 42 A K H > S+ 0 0 132 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.871 112.0 51.3 -68.4 -38.0 -9.0 5.2 18.9 42 43 A Q H X S+ 0 0 51 -4,-1.6 4,-3.1 2,-0.2 5,-0.2 0.909 110.0 50.0 -64.7 -38.5 -6.6 4.7 21.8 43 44 A K H X S+ 0 0 31 -4,-2.6 4,-3.0 2,-0.2 -2,-0.2 0.919 110.8 50.0 -68.9 -40.6 -8.2 1.4 22.7 44 45 A Q H X S+ 0 0 96 -4,-2.1 4,-2.8 -5,-0.2 -1,-0.2 0.936 113.4 45.2 -57.3 -49.9 -8.0 0.4 19.0 45 46 A H H X S+ 0 0 101 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.912 114.3 48.9 -64.0 -42.1 -4.3 1.3 18.9 46 47 A Q H X S+ 0 0 39 -4,-3.1 4,-2.6 2,-0.2 5,-0.3 0.927 112.1 48.2 -65.7 -41.2 -3.7 -0.5 22.2 47 48 A K H X S+ 0 0 38 -4,-3.0 4,-2.3 -5,-0.2 -2,-0.2 0.910 112.1 51.0 -62.1 -43.4 -5.6 -3.6 21.0 48 49 A D H X S+ 0 0 61 -4,-2.8 4,-1.6 2,-0.2 -2,-0.2 0.930 112.7 46.0 -51.9 -50.9 -3.5 -3.5 17.7 49 50 A F H X S+ 0 0 27 -4,-2.6 4,-3.0 1,-0.2 -2,-0.2 0.909 115.2 43.7 -67.9 -47.8 -0.2 -3.3 19.7 50 51 A M H X S+ 0 0 9 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.849 107.3 59.9 -65.6 -37.3 -1.0 -6.0 22.1 51 52 A T H <>S+ 0 0 19 -4,-2.3 5,-2.6 -5,-0.3 6,-0.4 0.910 114.8 37.8 -56.8 -39.4 -2.4 -8.2 19.4 52 53 A Y H ><5S+ 0 0 24 -4,-1.6 3,-2.1 4,-0.2 5,-0.4 0.933 113.8 53.9 -73.9 -49.4 1.1 -8.0 17.8 53 54 A A H 3<5S+ 0 0 5 -4,-3.0 -2,-0.2 1,-0.3 -3,-0.2 0.820 107.6 50.9 -57.6 -37.0 3.1 -8.1 21.1 54 55 A F T 3<5S- 0 0 16 -4,-2.5 -50,-2.4 -5,-0.1 -51,-0.8 0.359 125.7-101.2 -86.3 5.0 1.4 -11.3 22.2 55 56 A G T < 5S+ 0 0 15 -3,-2.1 -3,-0.2 -52,-0.2 -53,-0.2 0.860 87.1 123.3 85.6 37.9 2.2 -12.9 18.8 56 57 A G S - 0 0 58 -2,-0.2 4,-2.5 1,-0.1 5,-0.2 -0.274 35.6-113.7 -54.0 149.1 7.1 2.8 18.2 65 66 A M H > S+ 0 0 30 1,-0.2 4,-1.4 2,-0.2 -1,-0.1 0.867 117.5 54.2 -55.5 -38.9 6.5 3.1 22.0 66 67 A R H > S+ 0 0 93 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.910 113.3 40.8 -63.9 -43.1 9.4 5.7 22.1 67 68 A A H 4 S+ 0 0 45 1,-0.2 4,-0.4 2,-0.2 -2,-0.2 0.817 110.4 57.7 -78.6 -30.6 7.8 7.9 19.5 68 69 A A H < S+ 0 0 27 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.841 119.4 30.3 -67.6 -29.6 4.2 7.5 20.8 69 70 A H H >X S+ 0 0 44 -4,-1.4 4,-1.9 -5,-0.2 3,-0.6 0.426 87.2 100.5-113.8 -1.6 5.2 8.8 24.2 70 71 A Q H 3X S+ 0 0 113 -4,-0.8 4,-2.4 1,-0.3 5,-0.2 0.823 83.7 53.5 -59.1 -38.1 8.1 11.3 23.4 71 72 A D H 3>>S+ 0 0 100 -4,-0.4 4,-2.9 2,-0.2 5,-0.8 0.851 106.7 51.3 -64.1 -37.8 5.8 14.3 23.7 72 73 A L H <45S+ 0 0 45 -3,-0.6 6,-2.0 3,-0.2 4,-0.4 0.899 111.9 47.5 -70.5 -37.5 4.5 13.3 27.1 73 74 A V H <5S+ 0 0 45 -4,-1.9 4,-0.4 4,-0.2 -2,-0.2 0.948 118.5 40.5 -62.0 -50.3 8.2 12.9 28.3 74 75 A E H <5S+ 0 0 146 -4,-2.4 -2,-0.2 -5,-0.2 -3,-0.2 0.886 136.2 12.1 -68.4 -43.2 9.1 16.3 26.9 75 76 A N T <5S+ 0 0 118 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.1 0.850 124.5 47.7-103.6 -48.5 6.0 18.2 27.8 76 77 A A S > - 0 0 53 -2,-0.1 4,-2.2 0, 0.0 3,-0.9 -0.854 61.8 -52.8-163.7-168.5 8.3 9.5 34.3 80 81 A D H 3> S+ 0 0 56 1,-0.3 4,-3.2 -2,-0.2 5,-0.3 0.835 122.9 55.6 -53.1 -44.7 8.7 6.3 36.4 81 82 A V H 3> S+ 0 0 81 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.882 111.6 46.0 -62.4 -35.8 5.7 6.8 38.7 82 83 A H H <> S+ 0 0 33 -3,-0.9 4,-1.9 2,-0.2 -1,-0.2 0.911 112.8 49.1 -68.1 -47.1 3.4 7.1 35.7 83 84 A F H X S+ 0 0 12 -4,-2.2 4,-2.4 1,-0.2 5,-0.2 0.922 110.6 51.5 -56.9 -44.2 4.9 4.1 34.0 84 85 A D H X S+ 0 0 68 -4,-3.2 4,-1.8 1,-0.2 -1,-0.2 0.866 108.7 51.4 -64.1 -39.2 4.6 2.0 37.2 85 86 A A H X S+ 0 0 0 -4,-1.6 4,-2.0 -5,-0.3 -1,-0.2 0.881 109.6 49.0 -65.6 -41.5 0.9 3.0 37.5 86 87 A I H X S+ 0 0 49 -4,-1.9 4,-1.8 1,-0.2 -2,-0.2 0.961 113.4 45.5 -65.3 -47.2 0.1 2.0 34.0 87 88 A A H X S+ 0 0 19 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.832 112.0 52.3 -65.3 -33.3 1.8 -1.5 34.3 88 89 A E H X S+ 0 0 90 -4,-1.8 4,-2.3 -5,-0.2 -1,-0.2 0.897 107.9 52.6 -71.9 -36.6 0.2 -2.0 37.7 89 90 A N H X S+ 0 0 8 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.845 108.0 50.9 -62.7 -37.4 -3.2 -1.3 36.2 90 91 A L H X S+ 0 0 13 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.932 110.8 47.0 -69.3 -43.5 -2.7 -3.8 33.5 91 92 A V H X S+ 0 0 32 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.881 110.2 53.0 -65.6 -39.5 -1.8 -6.5 35.9 92 93 A L H X S+ 0 0 55 -4,-2.3 4,-2.8 1,-0.2 5,-0.2 0.899 105.9 56.0 -62.0 -43.4 -4.8 -5.7 38.1 93 94 A T H X S+ 0 0 0 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.952 111.5 41.3 -46.1 -56.1 -7.0 -6.0 35.0 94 95 A L H <>S+ 0 0 11 -4,-1.9 5,-2.6 1,-0.2 -2,-0.2 0.850 114.0 52.7 -73.2 -32.2 -5.8 -9.5 34.2 95 96 A Q H ><5S+ 0 0 93 -4,-2.3 3,-1.4 3,-0.2 -1,-0.2 0.924 109.3 48.4 -64.3 -45.6 -5.8 -10.6 37.9 96 97 A E H 3<5S+ 0 0 120 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.889 110.4 51.3 -64.8 -36.1 -9.4 -9.5 38.3 97 98 A L T 3<5S- 0 0 62 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.424 115.9-125.1 -75.9 -3.3 -10.4 -11.3 35.2 98 99 A N T < 5 + 0 0 140 -3,-1.4 -3,-0.2 1,-0.2 2,-0.1 0.799 42.5 175.4 61.9 36.6 -8.6 -14.3 36.8 99 100 A V < - 0 0 36 -5,-2.6 -1,-0.2 1,-0.1 5,-0.1 -0.470 44.7 -90.8 -63.5 138.7 -6.2 -15.0 34.0 100 101 A S >> - 0 0 53 1,-0.1 4,-2.0 -2,-0.1 3,-0.7 -0.248 30.2-121.6 -59.1 146.0 -3.7 -17.7 35.0 101 102 A Q H 3> S+ 0 0 99 1,-0.3 4,-1.9 2,-0.2 5,-0.1 0.705 110.9 61.4 -63.5 -26.6 -0.6 -16.5 36.7 102 103 A D H 3> S+ 0 0 123 2,-0.2 4,-1.7 1,-0.2 -1,-0.3 0.939 109.0 42.1 -61.6 -46.5 1.6 -18.2 34.1 103 104 A L H <> S+ 0 0 28 -3,-0.7 4,-2.2 1,-0.2 -2,-0.2 0.853 112.4 52.4 -74.4 -38.5 -0.0 -16.0 31.4 104 105 A I H X S+ 0 0 3 -4,-2.0 4,-2.7 2,-0.2 -1,-0.2 0.903 107.8 52.1 -62.2 -43.3 0.1 -12.8 33.4 105 106 A D H X S+ 0 0 87 -4,-1.9 4,-1.8 1,-0.2 -2,-0.2 0.922 109.8 50.0 -60.9 -44.7 3.8 -13.2 34.1 106 107 A E H X S+ 0 0 81 -4,-1.7 4,-0.7 2,-0.2 -1,-0.2 0.884 110.7 48.8 -55.3 -49.1 4.4 -13.7 30.4 107 108 A V H >X S+ 0 0 1 -4,-2.2 4,-2.6 1,-0.2 3,-1.4 0.935 110.3 51.9 -55.0 -48.0 2.4 -10.5 29.7 108 109 A V H 3X S+ 0 0 49 -4,-2.7 4,-2.4 1,-0.3 5,-0.5 0.828 98.5 64.9 -63.5 -29.0 4.4 -8.6 32.3 109 110 A T H 3< S+ 0 0 105 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.770 114.4 33.3 -63.8 -25.2 7.7 -9.8 30.7 110 111 A I H << S+ 0 0 39 -3,-1.4 -2,-0.2 -4,-0.7 6,-0.2 0.876 130.4 29.7 -92.0 -50.3 6.6 -7.7 27.7 111 112 A V H < S+ 0 0 10 -4,-2.6 -3,-0.2 1,-0.2 -2,-0.2 0.533 123.2 45.9 -96.4 -8.9 4.7 -4.7 29.2 112 113 A G S < S+ 0 0 26 -4,-2.4 -1,-0.2 -5,-0.3 -3,-0.2 0.548 87.5 119.1-105.6 -11.0 6.5 -4.5 32.6 113 114 A S S > S- 0 0 22 -5,-0.5 4,-2.3 1,-0.1 5,-0.1 0.013 74.2-123.4 -65.9 158.4 10.0 -4.8 31.3 114 115 A V H > S+ 0 0 80 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.842 113.6 63.3 -63.7 -31.7 12.8 -2.3 31.6 115 116 A Q H > S+ 0 0 129 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.906 107.3 40.4 -56.1 -46.1 12.9 -2.5 27.8 116 117 A H H > S+ 0 0 35 -6,-0.2 4,-3.2 2,-0.2 3,-0.3 0.925 113.2 54.2 -75.3 -44.9 9.4 -1.1 27.5 117 118 A R H X S+ 0 0 53 -4,-2.3 4,-2.9 1,-0.2 -2,-0.2 0.882 109.6 48.5 -49.5 -46.5 9.9 1.4 30.3 118 119 A N H <>S+ 0 0 49 -4,-2.6 5,-2.3 2,-0.2 -1,-0.2 0.750 112.4 47.9 -76.1 -24.5 12.9 2.8 28.5 119 120 A D H ><5S+ 0 0 69 -4,-1.2 3,-1.0 -3,-0.3 -2,-0.2 0.942 116.4 42.9 -70.5 -53.6 11.1 3.1 25.2 120 121 A V H 3<5S+ 0 0 10 -4,-3.2 -47,-0.2 1,-0.3 -2,-0.2 0.934 119.6 42.2 -60.4 -46.1 8.1 4.8 26.7 121 122 A L T 3<5S- 0 0 4 -4,-2.9 -1,-0.3 -5,-0.2 -2,-0.2 0.332 109.0-124.0 -91.6 5.3 10.2 7.1 28.9 122 123 A N T < 5 0 0 32 -3,-1.0 -3,-0.2 -5,-0.1 -4,-0.1 0.887 360.0 360.0 61.1 47.7 12.6 7.8 26.1 123 124 A R < 0 0 148 -5,-2.3 -4,-0.1 -6,-0.1 -5,-0.1 0.661 360.0 360.0-117.2 360.0 15.8 6.7 27.9 124 !* 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 0.0 125 2 B A 0 0 92 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 122.0 10.1 7.2 3.6 126 3 B S > - 0 0 35 1,-0.1 4,-3.7 53,-0.1 5,-0.3 -0.364 360.0-110.9 -81.0 159.5 10.0 3.7 4.8 127 4 B L H > S+ 0 0 16 51,-0.4 4,-2.6 1,-0.2 6,-0.2 0.927 123.7 56.6 -47.2 -47.1 12.8 1.7 6.5 128 5 B Y H 4>S+ 0 0 43 50,-2.4 5,-2.3 2,-0.2 4,-0.5 0.896 111.5 40.5 -50.8 -47.2 12.7 -0.3 3.2 129 6 B E H >45S+ 0 0 116 49,-0.3 3,-1.2 3,-0.2 -2,-0.2 0.903 111.5 55.2 -75.5 -43.7 13.3 2.9 1.2 130 7 B K H 3<5S+ 0 0 112 -4,-3.7 -2,-0.2 1,-0.3 -1,-0.2 0.856 104.7 55.5 -52.2 -40.3 15.9 4.3 3.7 131 8 B L T 3<5S- 0 0 29 -4,-2.6 -1,-0.3 -5,-0.3 -2,-0.2 0.708 134.5 -91.6 -67.9 -20.2 17.8 1.0 3.2 132 9 B G T < 5 - 0 0 51 -3,-1.2 3,-0.3 -4,-0.5 4,-0.2 0.298 56.2-112.3 126.3 -6.5 17.8 1.7 -0.5 133 10 B G S >> S+ 0 0 66 1,-0.2 4,-1.7 2,-0.2 3,-0.2 0.832 133.8 40.5 -44.6 -60.8 14.3 -3.1 -4.0 135 12 B A H 3> S+ 0 0 80 -3,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.743 113.2 53.7 -73.6 -23.6 17.9 -3.6 -5.3 136 13 B A H <> S+ 0 0 31 -3,-0.8 4,-2.1 -4,-0.2 -1,-0.2 0.857 111.3 46.5 -72.6 -40.4 19.7 -2.8 -2.0 137 14 B V H X S+ 0 0 8 -4,-1.9 4,-2.6 -3,-0.2 -2,-0.2 0.812 110.7 53.8 -67.6 -36.3 17.6 -5.4 -0.2 138 15 B D H X S+ 0 0 79 -4,-1.7 4,-2.3 -5,-0.3 -2,-0.2 0.948 110.1 46.3 -63.8 -49.4 18.3 -7.8 -3.0 139 16 B L H X S+ 0 0 91 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.900 113.7 49.6 -58.7 -44.4 22.0 -7.3 -2.6 140 17 B A H X S+ 0 0 12 -4,-2.1 4,-2.7 2,-0.2 -1,-0.2 0.902 108.9 50.5 -64.0 -45.7 21.7 -7.7 1.1 141 18 B V H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 5,-0.2 0.946 112.1 49.0 -58.5 -45.2 19.7 -10.9 0.9 142 19 B E H X S+ 0 0 102 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.945 114.6 43.2 -58.0 -53.7 22.4 -12.4 -1.4 143 20 B K H X S+ 0 0 51 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.892 112.2 56.2 -57.9 -39.7 25.3 -11.3 0.8 144 21 B F H X S+ 0 0 4 -4,-2.7 4,-1.8 1,-0.2 -2,-0.2 0.927 109.5 43.8 -63.2 -44.7 23.3 -12.6 3.9 145 22 B Y H X S+ 0 0 5 -4,-2.5 4,-3.0 2,-0.2 -1,-0.2 0.839 105.9 61.7 -76.1 -31.0 22.8 -16.1 2.4 146 23 B G H X S+ 0 0 43 -4,-2.3 4,-0.7 -5,-0.2 -1,-0.2 0.961 111.0 41.3 -46.1 -52.8 26.5 -16.1 1.3 147 24 B K H < S+ 0 0 43 -4,-2.1 -2,-0.2 2,-0.2 3,-0.2 0.838 113.3 52.8 -68.0 -36.4 27.2 -15.8 5.1 148 25 B V H >< S+ 0 0 0 -4,-1.8 3,-1.6 1,-0.2 6,-0.3 0.936 108.8 49.1 -66.3 -43.2 24.5 -18.3 6.1 149 26 B L H 3< S+ 0 0 73 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.638 112.3 49.5 -71.8 -15.9 25.8 -21.0 3.8 150 27 B A T 3< S+ 0 0 87 -4,-0.7 2,-0.7 -3,-0.2 -1,-0.3 0.175 91.1 93.9-104.7 13.2 29.3 -20.4 5.1 151 28 B D X> - 0 0 16 -3,-1.6 4,-2.5 1,-0.1 3,-2.0 -0.897 60.8-159.9-111.0 106.6 28.2 -20.6 8.8 152 29 B E T 34 S+ 0 0 144 -2,-0.7 4,-0.3 1,-0.3 -1,-0.1 0.697 85.7 69.1 -60.8 -19.1 28.5 -24.2 10.1 153 30 B R T 34 S+ 0 0 107 1,-0.1 -1,-0.3 2,-0.1 56,-0.1 0.787 123.0 3.8 -70.6 -25.4 26.0 -23.4 12.9 154 31 B V T X4 S+ 0 0 3 -3,-2.0 3,-2.1 -6,-0.3 4,-0.3 0.549 100.5 94.0-136.4 -15.4 23.0 -23.2 10.6 155 32 B N G >< S+ 0 0 46 -4,-2.5 3,-1.7 1,-0.3 4,-0.2 0.772 76.4 71.6 -64.8 -21.6 24.0 -24.0 7.0 156 33 B R G > S+ 0 0 189 -4,-0.3 3,-0.9 1,-0.3 -1,-0.3 0.788 89.9 63.0 -63.7 -22.6 23.0 -27.6 7.5 157 34 B F G < S+ 0 0 42 -3,-2.1 -1,-0.3 1,-0.2 3,-0.2 0.715 105.4 45.1 -70.9 -18.9 19.3 -26.4 7.5 158 35 B F G X S+ 0 0 36 -3,-1.7 3,-1.7 -4,-0.3 -1,-0.2 0.301 77.8 107.5-108.8 10.1 19.7 -25.2 4.0 159 36 B V T < S+ 0 0 111 -3,-0.9 -1,-0.1 1,-0.3 -2,-0.1 0.802 92.6 31.2 -66.5 -26.9 21.5 -28.2 2.5 160 37 B N T 3 S+ 0 0 155 -4,-0.2 2,-0.3 -3,-0.2 -1,-0.3 0.196 97.3 113.9-113.4 14.9 18.4 -29.3 0.6 161 38 B T S < S- 0 0 55 -3,-1.7 2,-1.4 1,-0.0 3,-0.1 -0.674 71.3-121.8 -97.4 139.6 16.8 -25.8 -0.1 162 39 B D > - 0 0 109 -2,-0.3 4,-2.9 1,-0.2 3,-0.4 -0.646 29.8-166.8 -73.0 94.5 16.3 -24.1 -3.5 163 40 B M H > S+ 0 0 32 -2,-1.4 4,-2.6 1,-0.3 5,-0.2 0.756 81.5 59.7 -65.1 -25.6 18.4 -21.0 -2.5 164 41 B A H > S+ 0 0 72 2,-0.2 4,-1.8 1,-0.2 -1,-0.3 0.957 112.3 38.0 -62.9 -51.2 17.1 -19.1 -5.5 165 42 B K H > S+ 0 0 127 -3,-0.4 4,-2.8 2,-0.2 5,-0.2 0.936 115.6 54.9 -67.2 -40.0 13.5 -19.4 -4.3 166 43 B Q H X S+ 0 0 51 -4,-2.9 4,-2.5 1,-0.2 5,-0.2 0.935 108.1 47.9 -58.2 -49.9 14.6 -18.9 -0.7 167 44 B K H X S+ 0 0 37 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.920 112.0 51.3 -55.8 -45.5 16.4 -15.6 -1.4 168 45 B Q H X S+ 0 0 95 -4,-1.8 4,-1.9 1,-0.2 -2,-0.2 0.906 110.5 47.9 -58.2 -46.1 13.2 -14.5 -3.4 169 46 B H H X S+ 0 0 83 -4,-2.8 4,-2.7 2,-0.2 -1,-0.2 0.899 111.2 50.9 -58.3 -45.3 10.9 -15.4 -0.4 170 47 B Q H X S+ 0 0 40 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.861 106.6 54.2 -65.8 -36.6 13.2 -13.6 2.0 171 48 B K H X S+ 0 0 25 -4,-2.3 4,-2.0 -5,-0.2 -1,-0.2 0.903 109.4 48.8 -60.3 -44.6 13.2 -10.5 -0.3 172 49 B D H X S+ 0 0 47 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.964 111.5 49.3 -58.7 -51.1 9.3 -10.6 -0.1 173 50 B F H X S+ 0 0 24 -4,-2.7 4,-3.7 1,-0.2 -2,-0.2 0.895 112.3 46.7 -57.1 -44.6 9.3 -10.9 3.7 174 51 B M H X S+ 0 0 7 -4,-2.2 4,-2.9 2,-0.2 6,-0.2 0.855 106.0 58.6 -71.4 -33.0 11.7 -8.0 4.2 175 52 B T H <>S+ 0 0 24 -4,-2.0 5,-4.1 -5,-0.2 6,-0.8 0.929 116.3 36.5 -59.5 -40.8 9.8 -5.8 1.8 176 53 B Y H ><5S+ 0 0 22 -4,-1.9 3,-2.3 4,-0.2 -2,-0.2 0.972 116.9 50.6 -74.0 -57.5 6.8 -6.3 4.0 177 54 B A H 3<5S+ 0 0 15 -4,-3.7 -2,-0.2 1,-0.3 -3,-0.2 0.839 113.1 47.0 -47.7 -41.2 8.7 -6.3 7.4 178 55 B F T 3<5S- 0 0 12 -4,-2.9 -50,-2.4 -5,-0.2 -51,-0.4 0.354 123.5-103.3 -91.9 6.1 10.6 -3.1 6.5 179 56 B G T < 5S+ 0 0 36 -3,-2.3 -3,-0.2 2,-0.2 -2,-0.1 0.819 83.4 126.2 82.6 34.1 7.3 -1.4 5.3 180 57 B G S - 0 0 58 -2,-0.2 4,-2.9 1,-0.1 5,-0.1 -0.248 34.0-116.4 -50.3 152.4 3.7 -17.3 8.1 189 66 B M H > S+ 0 0 33 2,-0.2 4,-1.1 1,-0.2 -1,-0.1 0.854 117.3 51.9 -64.2 -37.1 7.0 -17.4 9.9 190 67 B R H >> S+ 0 0 43 2,-0.2 4,-0.9 1,-0.2 3,-0.6 0.966 115.5 40.2 -63.1 -51.4 5.5 -19.9 12.4 191 68 B A H >4 S+ 0 0 29 1,-0.2 3,-0.6 2,-0.2 4,-0.5 0.887 111.4 58.5 -62.4 -40.4 4.2 -22.1 9.6 192 69 B A H 3< S+ 0 0 38 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.757 116.1 32.7 -65.4 -24.3 7.4 -21.7 7.5 193 70 B H H S+ 0 0 103 -4,-0.5 4,-2.4 1,-0.2 5,-0.3 0.851 113.2 50.7 -49.7 -33.9 8.7 -28.9 10.3 196 73 B L H > S+ 0 0 46 -3,-0.3 6,-1.7 3,-0.2 4,-1.6 0.829 109.5 47.8 -74.5 -39.6 12.2 -27.6 11.3 197 74 B V H < S+ 0 0 40 -4,-1.8 4,-0.5 -3,-0.4 -2,-0.2 0.946 121.5 36.7 -63.6 -49.1 11.3 -27.0 15.0 198 75 B E H < S+ 0 0 137 -4,-2.8 -2,-0.2 -5,-0.2 -3,-0.2 0.854 135.2 20.1 -73.8 -35.0 9.6 -30.5 15.2 199 76 B N H < S+ 0 0 131 -4,-2.4 -3,-0.2 -5,-0.3 -2,-0.2 0.610 121.6 48.0-115.0 -14.9 12.1 -32.4 13.1 200 77 B A S < S- 0 0 45 -4,-1.6 -3,-0.2 -5,-0.3 -4,-0.1 0.263 98.3-112.7-122.6 12.1 15.3 -30.5 12.8 201 78 B G + 0 0 51 -4,-0.5 2,-0.3 1,-0.2 -4,-0.2 0.653 51.4 175.7 72.1 16.7 16.3 -29.5 16.3 202 79 B L + 0 0 17 -6,-1.7 -1,-0.2 -9,-0.1 2,-0.2 -0.385 14.8 134.5 -69.7 116.2 15.8 -25.8 15.5 203 80 B T >> - 0 0 60 -2,-0.3 4,-2.2 0, 0.0 3,-0.6 -0.575 62.9 -52.7-144.0-152.4 16.2 -23.6 18.6 204 81 B D H 3> S+ 0 0 54 1,-0.3 4,-2.6 2,-0.2 5,-0.2 0.798 120.5 57.9 -74.4 -36.7 17.7 -20.5 20.1 205 82 B V H 3> S+ 0 0 76 2,-0.2 4,-1.4 1,-0.2 -1,-0.3 0.896 111.7 44.7 -60.7 -37.9 21.3 -20.9 19.1 206 83 B H H <> S+ 0 0 36 -3,-0.6 4,-2.0 2,-0.2 -2,-0.2 0.934 110.2 54.2 -72.1 -46.9 20.2 -21.1 15.4 207 84 B F H X S+ 0 0 11 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.919 110.4 47.6 -47.1 -50.1 17.8 -18.2 15.7 208 85 B D H X S+ 0 0 72 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.813 107.6 54.8 -65.6 -36.3 20.7 -16.0 17.1 209 86 B A H X S+ 0 0 0 -4,-1.4 4,-1.7 -5,-0.2 -1,-0.2 0.896 108.6 49.4 -67.8 -35.1 23.2 -17.1 14.4 210 87 B I H X S+ 0 0 51 -4,-2.0 4,-2.0 2,-0.2 3,-0.4 0.970 112.7 45.3 -65.7 -52.8 20.7 -16.0 11.7 211 88 B A H X S+ 0 0 20 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.915 113.3 52.4 -56.2 -42.6 20.1 -12.6 13.3 212 89 B E H X S+ 0 0 86 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.807 107.5 50.6 -67.3 -31.0 23.8 -12.2 13.8 213 90 B N H X S+ 0 0 9 -4,-1.7 4,-2.0 -3,-0.4 -1,-0.2 0.825 107.9 52.8 -77.0 -32.4 24.6 -12.9 10.2 214 91 B L H X S+ 0 0 8 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.914 110.1 49.1 -64.5 -38.6 22.1 -10.3 9.0 215 92 B V H X S+ 0 0 30 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.893 109.8 50.9 -69.0 -41.9 23.8 -7.8 11.3 216 93 B L H X S+ 0 0 58 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.884 108.6 53.2 -57.3 -46.1 27.3 -8.8 9.9 217 94 B T H X S+ 0 0 0 -4,-2.0 4,-1.4 2,-0.2 -2,-0.2 0.952 112.7 42.1 -53.9 -53.7 25.9 -8.3 6.4 218 95 B L H <>S+ 0 0 12 -4,-2.1 5,-2.4 2,-0.2 -2,-0.2 0.879 112.6 52.3 -69.0 -40.3 24.6 -4.8 7.0 219 96 B Q H ><5S+ 0 0 99 -4,-2.4 3,-2.0 1,-0.2 -1,-0.2 0.944 109.5 50.3 -58.6 -46.9 27.6 -3.6 9.0 220 97 B E H 3<5S+ 0 0 123 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.819 107.5 53.7 -62.1 -31.6 30.0 -4.7 6.2 221 98 B L T 3<5S- 0 0 63 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.398 115.2-122.6 -81.0 4.7 27.8 -2.8 3.7 222 99 B N T < 5 + 0 0 145 -3,-2.0 -3,-0.2 1,-0.2 2,-0.2 0.856 46.6 172.9 51.4 38.3 28.3 0.2 6.0 223 100 B V < - 0 0 33 -5,-2.4 -1,-0.2 1,-0.1 -92,-0.1 -0.542 45.8 -89.7 -65.8 140.7 24.6 0.7 6.5 224 101 B S > - 0 0 57 -2,-0.2 4,-2.4 1,-0.1 5,-0.2 -0.202 31.2-122.0 -53.9 149.4 24.1 3.4 9.2 225 102 B Q H > S+ 0 0 96 1,-0.2 4,-2.3 2,-0.2 -1,-0.1 0.821 110.0 56.4 -66.8 -33.5 23.9 2.1 12.8 226 103 B D H > S+ 0 0 117 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.889 110.2 44.7 -67.6 -42.4 20.4 3.6 13.4 227 104 B L H > S+ 0 0 29 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.907 110.0 54.6 -65.1 -44.1 19.0 1.7 10.4 228 105 B I H X S+ 0 0 2 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.931 108.0 52.9 -53.4 -41.3 20.9 -1.5 11.5 229 106 B D H X S+ 0 0 78 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.893 105.3 51.3 -64.4 -45.0 19.1 -1.0 14.9 230 107 B E H X S+ 0 0 87 -4,-1.7 4,-1.1 2,-0.2 -1,-0.2 0.950 112.5 47.9 -53.0 -49.0 15.6 -0.8 13.3 231 108 B V H >X S+ 0 0 4 -4,-2.4 4,-3.0 1,-0.2 3,-0.6 0.913 109.8 51.9 -61.1 -44.2 16.4 -4.1 11.4 232 109 B V H 3X S+ 0 0 57 -4,-2.6 4,-2.6 1,-0.2 5,-0.4 0.901 103.4 58.0 -58.3 -42.9 17.7 -5.8 14.6 233 110 B T H 3< S+ 0 0 98 -4,-2.3 4,-0.5 3,-0.2 -1,-0.2 0.853 115.6 38.9 -52.0 -35.2 14.4 -4.8 16.5 234 111 B I H << S+ 0 0 45 -4,-1.1 3,-0.4 -3,-0.6 6,-0.3 0.967 123.5 33.5 -85.1 -60.6 12.6 -6.7 13.8 235 112 B V H < S+ 0 0 19 -4,-3.0 -3,-0.2 1,-0.2 -2,-0.2 0.740 125.9 43.9 -71.6 -21.7 14.8 -9.8 13.0 236 113 B G S < S+ 0 0 27 -4,-2.6 -1,-0.2 -5,-0.4 -3,-0.2 0.582 85.6 122.6 -99.2 -12.4 15.9 -10.1 16.7 237 114 B S S > S- 0 0 17 -4,-0.5 4,-2.2 -3,-0.4 5,-0.1 -0.021 71.6-123.0 -54.4 151.3 12.6 -9.5 18.5 238 115 B V H > S+ 0 0 75 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.754 114.2 60.8 -61.0 -22.8 11.1 -12.0 20.9 239 116 B Q H > S+ 0 0 26 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.935 106.1 42.7 -70.6 -47.3 8.0 -11.9 18.5 240 117 B H H > S+ 0 0 32 -6,-0.3 4,-2.6 1,-0.2 5,-0.2 0.880 113.2 54.6 -68.5 -34.2 10.0 -13.1 15.6 241 118 B R H X S+ 0 0 56 -4,-2.2 4,-3.1 2,-0.2 5,-0.2 0.936 108.4 47.1 -61.1 -50.8 11.7 -15.7 17.9 242 119 B N H X>S+ 0 0 46 -4,-2.1 5,-1.8 2,-0.2 4,-0.5 0.869 113.4 50.6 -62.0 -37.8 8.4 -17.1 19.1 243 120 B D H ><5S+ 0 0 26 -4,-2.0 3,-1.0 3,-0.2 -2,-0.2 0.993 116.5 38.2 -55.7 -63.0 7.1 -17.3 15.5 244 121 B V H 3<5S+ 0 0 11 -4,-2.6 -2,-0.2 1,-0.3 -3,-0.2 0.884 124.8 38.4 -64.3 -43.8 10.1 -19.1 14.1 245 122 B L H 3<5S- 0 0 5 -4,-3.1 -1,-0.3 -5,-0.2 -2,-0.2 0.388 107.6-128.1 -90.3 1.7 10.7 -21.4 17.1 246 123 B N T <<5 0 0 56 -3,-1.0 -3,-0.2 -4,-0.5 -4,-0.1 0.951 360.0 360.0 53.9 67.0 6.9 -21.8 17.5 247 124 B R < 0 0 106 -5,-1.8 -4,-0.2 -6,-0.0 -5,-0.1 0.248 360.0 360.0-135.0 360.0 6.3 -21.0 21.2