==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-MAR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PHOTOSYNTHESIS 05-SEP-12 4GY3 . COMPND 2 MOLECULE: C-PHYCOCYANIN ALPHA SUBUNIT; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOSYNECHOCOCCUS VULCANUS; . AUTHOR A.MARX,N.ADIR . 334 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15697.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 261 78.1 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 . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 206 61.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 3.3 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 2 1 1 0 2 0 3 0 0 1 0 1 0 1 0 0 0 0 2 0 1 0 0 1 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 1 A M 0 0 24 0, 0.0 2,-0.5 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 143.7 -11.2 65.3 -3.2 2 2 A K + 0 0 97 4,-0.1 103,-0.5 103,-0.1 106,-0.1 -0.625 360.0 143.7 -82.7 124.4 -12.6 64.7 -6.6 3 3 A T > - 0 0 0 -2,-0.5 4,-2.6 102,-0.1 5,-0.3 -0.965 63.2-103.5-148.7 155.4 -16.1 63.1 -6.9 4 4 A P H > S+ 0 0 35 0, 0.0 4,-1.6 0, 0.0 5,-0.1 0.870 124.2 50.0 -50.9 -34.9 -18.9 63.8 -9.4 5 5 A I H > S+ 0 0 2 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.933 111.0 45.9 -70.1 -46.6 -20.6 65.8 -6.7 6 6 A T H > S+ 0 0 8 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.843 110.0 54.0 -66.0 -36.8 -17.5 68.0 -5.8 7 7 A E H X S+ 0 0 95 -4,-2.6 4,-2.7 2,-0.2 -1,-0.2 0.939 107.2 52.2 -62.5 -45.9 -16.6 68.7 -9.4 8 8 A A H X S+ 0 0 10 -4,-1.6 4,-1.8 -5,-0.3 -2,-0.2 0.945 112.8 44.4 -54.9 -50.0 -20.2 69.9 -10.0 9 9 A I H X S+ 0 0 0 -4,-1.8 4,-2.5 1,-0.2 -1,-0.2 0.846 110.6 53.5 -64.2 -36.9 -19.9 72.3 -7.1 10 10 A A H X S+ 0 0 30 -4,-2.3 4,-2.7 2,-0.2 -1,-0.2 0.919 107.2 53.8 -64.3 -42.5 -16.4 73.4 -8.1 11 11 A A H < S+ 0 0 44 -4,-2.7 4,-0.3 1,-0.2 -2,-0.2 0.894 114.5 39.0 -59.2 -44.1 -17.7 74.3 -11.5 12 12 A A H ><>S+ 0 0 0 -4,-1.8 5,-2.3 -5,-0.2 3,-0.9 0.862 114.4 54.6 -75.8 -35.0 -20.5 76.5 -10.1 13 13 A D H ><5S+ 0 0 19 -4,-2.5 3,-2.0 1,-0.2 -2,-0.2 0.907 100.8 58.1 -65.4 -40.4 -18.4 77.9 -7.4 14 14 A T T 3<5S+ 0 0 110 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.664 112.6 43.3 -64.6 -12.2 -15.7 79.1 -9.9 15 15 A Q T < 5S- 0 0 131 -3,-0.9 -1,-0.3 -4,-0.3 -2,-0.2 0.160 108.5-123.7-116.4 17.0 -18.5 81.1 -11.6 16 16 A G T < 5S+ 0 0 45 -3,-2.0 2,-0.3 1,-0.2 -3,-0.2 0.759 70.5 125.6 46.9 32.0 -20.1 82.4 -8.4 17 17 A R < - 0 0 64 -5,-2.3 -2,-0.2 -6,-0.1 -1,-0.2 -0.794 65.6-102.2-119.9 161.0 -23.4 80.9 -9.4 18 18 A F - 0 0 30 -2,-0.3 -1,-0.1 1,-0.2 236,-0.0 -0.319 60.0 -74.1 -72.4 162.4 -25.9 78.5 -7.9 19 19 A L - 0 0 10 235,-0.2 -1,-0.2 1,-0.1 2,-0.2 -0.232 51.9-135.1 -57.2 145.2 -26.0 75.0 -9.1 20 20 A S > - 0 0 35 -12,-0.1 4,-1.8 -3,-0.1 5,-0.1 -0.484 20.6-107.4 -98.5 172.1 -27.4 74.4 -12.5 21 21 A N H > S+ 0 0 106 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.930 118.5 53.2 -65.4 -44.6 -29.9 71.7 -13.8 22 22 A T H > S+ 0 0 90 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.905 108.9 49.6 -58.0 -42.3 -27.2 69.8 -15.7 23 23 A E H > S+ 0 0 23 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.900 110.5 50.5 -62.7 -40.7 -25.0 69.6 -12.6 24 24 A L H X S+ 0 0 15 -4,-1.8 4,-1.7 1,-0.2 -2,-0.2 0.894 108.6 52.2 -63.6 -38.9 -28.0 68.4 -10.6 25 25 A Q H X S+ 0 0 113 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.858 105.5 56.3 -64.9 -33.5 -28.6 65.8 -13.4 26 26 A A H X S+ 0 0 49 -4,-1.8 4,-1.8 2,-0.2 -1,-0.2 0.870 106.3 48.2 -67.1 -37.1 -24.9 64.7 -12.9 27 27 A V H X S+ 0 0 1 -4,-1.6 4,-2.3 2,-0.2 -1,-0.2 0.852 109.8 53.1 -70.9 -35.5 -25.4 64.0 -9.2 28 28 A D H X S+ 0 0 44 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.941 108.1 51.0 -63.2 -45.5 -28.5 62.0 -10.0 29 29 A G H X S+ 0 0 32 -4,-2.3 4,-1.6 1,-0.2 -2,-0.2 0.905 108.9 51.6 -57.4 -41.0 -26.5 60.0 -12.5 30 30 A R H X S+ 0 0 12 -4,-1.8 4,-1.4 1,-0.2 -1,-0.2 0.914 108.5 50.8 -62.7 -42.2 -23.9 59.5 -9.7 31 31 A F H X S+ 0 0 10 -4,-2.3 4,-0.7 1,-0.2 -2,-0.2 0.891 106.9 54.0 -63.4 -40.4 -26.6 58.2 -7.3 32 32 A K H < S+ 0 0 141 -4,-2.3 4,-0.4 1,-0.2 3,-0.4 0.863 112.5 43.5 -63.0 -34.9 -27.9 55.7 -9.9 33 33 A R H X S+ 0 0 132 -4,-1.6 4,-1.9 -5,-0.2 -1,-0.2 0.708 96.3 79.9 -81.9 -20.2 -24.5 54.2 -10.3 34 34 A A H X S+ 0 0 1 -4,-1.4 4,-2.5 1,-0.2 5,-0.2 0.831 83.2 64.6 -54.8 -36.9 -23.9 54.3 -6.6 35 35 A V H X S+ 0 0 90 -4,-0.7 4,-1.7 -3,-0.4 -1,-0.2 0.964 109.8 31.8 -52.0 -66.4 -26.0 51.1 -6.2 36 36 A A H > S+ 0 0 17 -4,-0.4 4,-1.3 1,-0.2 -1,-0.2 0.840 119.1 55.0 -64.6 -35.2 -23.8 48.6 -8.1 37 37 A S H X S+ 0 0 1 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.893 107.8 49.8 -65.3 -40.5 -20.5 50.5 -7.1 38 38 A M H X S+ 0 0 4 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.907 109.7 48.4 -65.8 -44.9 -21.4 50.2 -3.4 39 39 A E H X S+ 0 0 104 -4,-1.7 4,-2.2 -5,-0.2 -1,-0.2 0.795 109.5 55.8 -67.7 -24.4 -22.1 46.5 -3.5 40 40 A A H X S+ 0 0 0 -4,-1.3 4,-2.8 2,-0.2 5,-0.3 0.950 108.0 47.1 -69.3 -48.3 -18.9 46.0 -5.4 41 41 A A H X S+ 0 0 0 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.854 112.7 49.8 -61.1 -36.3 -17.0 47.8 -2.6 42 42 A R H X S+ 0 0 57 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.921 111.6 48.3 -68.9 -44.0 -18.7 45.7 0.0 43 43 A A H >X S+ 0 0 32 -4,-2.2 4,-1.1 2,-0.2 3,-0.6 0.977 114.0 45.4 -59.0 -58.0 -17.9 42.5 -1.9 44 44 A L H >< S+ 0 0 3 -4,-2.8 3,-0.8 1,-0.3 -1,-0.2 0.895 112.3 52.7 -52.9 -43.1 -14.3 43.4 -2.3 45 45 A T H >< S+ 0 0 25 -4,-2.2 3,-0.6 -5,-0.3 -1,-0.3 0.848 107.5 51.6 -63.6 -33.2 -14.1 44.4 1.4 46 46 A N H << S+ 0 0 116 -4,-1.9 -1,-0.2 -3,-0.6 2,-0.2 0.659 113.4 45.0 -77.7 -15.7 -15.6 41.1 2.4 47 47 A N T << S+ 0 0 90 -4,-1.1 -1,-0.3 -3,-0.8 -2,-0.1 -0.673 75.8 125.7-129.9 69.4 -12.9 39.2 0.4 48 48 A A S X> S+ 0 0 14 -3,-0.6 4,-3.8 -2,-0.2 3,-0.9 0.890 74.0 39.8 -76.8 -75.0 -9.9 41.3 1.5 49 49 A Q H 3>>S+ 0 0 117 1,-0.3 4,-2.8 2,-0.2 5,-0.7 0.891 114.4 50.4 -44.0 -59.7 -7.6 38.6 2.7 50 50 A S H 3>5S+ 0 0 63 1,-0.2 4,-0.6 2,-0.2 -1,-0.3 0.830 120.1 40.4 -52.2 -31.8 -8.3 35.9 0.1 51 51 A L H <>5S+ 0 0 5 -3,-0.9 4,-2.0 3,-0.2 -2,-0.2 0.917 119.3 43.4 -82.6 -47.4 -7.7 38.7 -2.5 52 52 A I H X5S+ 0 0 13 -4,-3.8 4,-2.5 2,-0.2 3,-0.3 0.983 120.1 40.3 -61.6 -59.5 -4.7 40.3 -0.7 53 53 A D H X5S+ 0 0 75 -4,-2.8 4,-1.6 1,-0.3 -1,-0.2 0.872 117.2 51.2 -57.3 -38.8 -2.9 37.0 0.2 54 54 A G H XX S+ 0 0 5 -4,-2.5 3,-1.4 1,-0.2 4,-0.6 0.958 109.8 41.3 -54.4 -56.3 0.8 38.5 -2.9 57 57 A Q H >X S+ 0 0 87 -4,-1.6 4,-2.6 1,-0.3 3,-1.0 0.858 102.3 67.6 -62.2 -40.5 1.6 35.0 -4.2 58 58 A A H 3< S+ 0 0 17 -4,-1.4 -1,-0.3 1,-0.3 -2,-0.2 0.561 107.3 43.9 -55.8 -8.0 0.5 35.8 -7.8 59 59 A V H <> S+ 0 0 10 -3,-1.4 4,-0.5 -4,-0.3 -1,-0.3 0.569 110.2 50.6-113.6 -17.1 3.5 38.1 -7.8 60 60 A Y H << S+ 0 0 33 -3,-1.0 -2,-0.2 -4,-0.6 7,-0.2 0.746 108.3 56.6 -86.8 -27.2 6.1 35.8 -6.2 61 61 A Q T < S+ 0 0 158 -4,-2.6 -1,-0.2 1,-0.2 -3,-0.1 0.576 117.4 33.3 -77.6 -12.1 5.0 33.2 -8.7 62 62 A K T 4 S+ 0 0 122 -5,-0.2 -1,-0.2 1,-0.1 -2,-0.2 0.461 131.1 32.6-119.6 -8.9 5.9 35.6 -11.5 63 63 A F >< + 0 0 39 -4,-0.5 3,-2.0 1,-0.1 -2,-0.2 -0.401 65.5 159.2-145.5 59.1 8.8 37.4 -9.9 64 64 A P G > + 0 0 83 0, 0.0 3,-2.1 0, 0.0 4,-0.4 0.651 65.5 77.1 -58.8 -18.8 10.5 34.7 -7.7 65 65 A Y G >> S+ 0 0 88 1,-0.3 4,-1.6 2,-0.2 3,-0.6 0.762 87.7 60.3 -64.9 -22.6 13.7 36.7 -7.6 66 66 A T G <4 S+ 0 0 6 -3,-2.0 9,-0.8 1,-0.2 -1,-0.3 0.450 89.9 75.8 -81.8 -0.9 11.9 38.9 -5.1 67 67 A T G <4 S- 0 0 55 -3,-2.1 -1,-0.2 -7,-0.2 -2,-0.2 0.789 121.4 -6.4 -82.0 -30.2 11.6 35.8 -2.9 68 68 A T T <4 S+ 0 0 113 -3,-0.6 2,-0.5 -4,-0.4 -2,-0.2 0.403 88.9 127.8-144.3 -3.9 15.2 35.7 -1.7 69 69 A M < - 0 0 94 -4,-1.6 7,-0.3 -5,-0.2 8,-0.2 -0.475 67.6-115.8 -64.3 112.5 17.3 38.3 -3.5 70 70 A Q S S+ 0 0 172 -2,-0.5 2,-0.1 6,-0.1 -1,-0.1 -0.198 70.2 105.2 -51.2 132.3 19.0 40.2 -0.7 71 71 A G S > S- 0 0 12 3,-0.1 3,-1.8 1,-0.1 5,-0.4 -0.253 71.4-120.2 151.3 118.9 17.8 43.8 -0.6 72 72 A S T 3 S+ 0 0 114 1,-0.3 -1,-0.1 -2,-0.1 5,-0.1 0.736 112.1 63.9 -46.5 -29.4 15.4 45.7 1.7 73 73 A Q T 3 S+ 0 0 53 -3,-0.1 -1,-0.3 2,-0.1 2,-0.3 0.141 96.4 85.9 -83.8 23.1 13.1 46.5 -1.2 74 74 A Y S X S- 0 0 46 -3,-1.8 3,-0.6 50,-0.1 -3,-0.1 -0.879 80.7-129.5-126.6 158.0 12.5 42.8 -1.6 75 75 A A T 3 S+ 0 0 7 -9,-0.8 6,-0.1 -2,-0.3 -3,-0.1 0.010 82.0 106.4 -88.9 25.9 10.2 40.1 -0.2 76 76 A S T 3 S+ 0 0 31 -5,-0.4 -1,-0.2 -7,-0.3 -6,-0.1 0.927 77.1 50.9 -69.1 -44.8 13.3 38.0 0.5 77 77 A T S <> S- 0 0 46 -3,-0.6 4,-1.4 -6,-0.2 3,-0.3 -0.558 95.1-115.0 -90.9 156.0 13.0 38.8 4.2 78 78 A P H > S+ 0 0 76 0, 0.0 4,-1.5 0, 0.0 3,-0.1 0.861 119.0 52.1 -58.8 -37.1 9.7 38.3 6.2 79 79 A E H > S+ 0 0 121 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.822 104.7 58.1 -67.7 -30.4 9.4 42.1 6.8 80 80 A G H > S+ 0 0 9 -3,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.858 108.6 44.0 -66.3 -34.9 9.9 42.5 3.1 81 81 A K H X S+ 0 0 77 -4,-1.4 4,-2.6 2,-0.2 -1,-0.2 0.750 111.4 55.4 -78.8 -26.4 6.8 40.4 2.6 82 82 A A H X S+ 0 0 59 -4,-1.5 4,-2.5 2,-0.2 -2,-0.2 0.963 109.3 45.3 -67.8 -54.0 5.1 42.3 5.4 83 83 A K H X S+ 0 0 122 -4,-3.0 4,-2.4 1,-0.2 -2,-0.2 0.941 114.5 50.8 -52.4 -50.4 5.7 45.6 3.6 84 84 A C H X S+ 0 0 26 -4,-1.9 4,-1.9 1,-0.2 -1,-0.2 0.912 110.7 45.6 -56.5 -49.3 4.6 44.0 0.4 85 85 A A H X S+ 0 0 36 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.864 110.9 56.2 -63.6 -34.1 1.3 42.6 1.9 86 86 A R H X S+ 0 0 102 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.934 107.4 47.7 -60.5 -47.8 0.8 46.0 3.4 87 87 A D H X S+ 0 0 21 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.846 108.0 55.7 -62.6 -37.3 1.1 47.7 0.0 88 88 A I H X S+ 0 0 8 -4,-1.9 4,-2.4 2,-0.2 5,-0.2 0.934 107.0 49.0 -62.6 -45.9 -1.4 45.2 -1.5 89 89 A G H X S+ 0 0 11 -4,-2.1 4,-3.5 1,-0.2 5,-0.3 0.926 106.9 57.6 -58.4 -44.0 -4.0 46.1 1.1 90 90 A Y H X S+ 0 0 97 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.907 108.9 45.0 -52.2 -47.4 -3.4 49.7 0.3 91 91 A Y H X S+ 0 0 14 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.951 115.1 45.8 -63.7 -50.1 -4.2 49.1 -3.3 92 92 A L H X S+ 0 0 1 -4,-2.4 4,-1.7 1,-0.2 -2,-0.2 0.930 112.6 51.6 -58.7 -45.8 -7.3 47.0 -2.6 93 93 A R H X S+ 0 0 13 -4,-3.5 4,-1.6 -5,-0.2 -1,-0.2 0.921 108.9 51.8 -57.9 -44.2 -8.5 49.5 0.0 94 94 A M H X S+ 0 0 7 -4,-2.2 4,-2.1 -5,-0.3 -1,-0.2 0.915 105.8 52.2 -61.1 -46.3 -8.1 52.4 -2.5 95 95 A I H X S+ 0 0 2 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.875 109.4 51.0 -60.8 -34.6 -10.2 50.8 -5.2 96 96 A T H X S+ 0 0 1 -4,-1.7 4,-2.0 1,-0.2 -1,-0.2 0.854 107.4 53.7 -70.4 -31.2 -13.0 50.3 -2.7 97 97 A Y H X S+ 0 0 0 -4,-1.6 4,-2.9 2,-0.2 6,-0.2 0.881 108.0 50.6 -68.1 -36.4 -12.7 53.9 -1.8 98 98 A C H X>S+ 0 0 0 -4,-2.1 5,-1.5 2,-0.2 4,-0.7 0.935 110.2 48.2 -64.4 -47.2 -13.1 54.8 -5.5 99 99 A L H <5S+ 0 0 0 -4,-2.1 3,-0.4 1,-0.2 -2,-0.2 0.876 115.7 46.6 -60.1 -37.2 -16.2 52.6 -5.8 100 100 A V H <5S+ 0 0 0 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.907 116.4 42.0 -71.6 -44.2 -17.5 54.3 -2.6 101 101 A A H <5S- 0 0 0 -4,-2.9 -1,-0.2 2,-0.2 -2,-0.2 0.334 108.1-121.0 -87.4 5.9 -16.7 57.8 -3.7 102 102 A G T <5S+ 0 0 10 -4,-0.7 2,-0.3 -3,-0.4 -3,-0.2 0.685 80.5 40.0 65.1 19.2 -17.9 57.3 -7.2 103 103 A G S > S+ 0 0 17 -2,-0.3 4,-2.1 1,-0.2 3,-1.0 0.666 88.7 103.2 -84.3 -18.5 -10.8 58.1 -8.8 105 105 A G H 3> S+ 0 0 2 -103,-0.5 4,-2.4 1,-0.2 5,-0.3 0.784 79.3 50.8 -31.0 -54.7 -10.4 61.0 -6.5 106 106 A P H 3> S+ 0 0 0 0, 0.0 4,-2.2 0, 0.0 5,-0.3 0.926 115.3 42.1 -54.7 -48.1 -9.5 58.8 -3.4 107 107 A M H <>>S+ 0 0 0 -3,-1.0 5,-3.0 -4,-0.2 4,-1.2 0.772 113.1 53.7 -71.6 -28.2 -6.9 56.9 -5.3 108 108 A D H <>S+ 0 0 38 -4,-2.1 5,-2.3 3,-0.2 -1,-0.2 0.941 115.2 38.9 -71.1 -46.9 -5.5 60.0 -7.0 109 109 A E H <5S+ 0 0 99 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.1 0.941 126.4 31.3 -68.7 -52.6 -5.0 61.9 -3.7 110 110 A Y H <5S+ 0 0 72 -4,-2.2 -3,-0.2 -5,-0.3 -2,-0.1 0.753 136.8 9.0 -83.9 -25.1 -3.7 59.1 -1.5 111 111 A L T <5S+ 0 0 22 -4,-1.2 -3,-0.2 -5,-0.3 -4,-0.1 0.755 119.8 50.6-124.9 -42.3 -1.9 56.8 -3.9 112 112 A I T > S+ 0 0 25 -2,-0.3 4,-2.4 3,-0.0 -1,-0.3 0.443 93.0 130.3 85.7 1.4 3.9 60.9 -6.0 115 115 A L H <> S+ 0 0 16 -3,-2.5 4,-2.4 1,-0.2 5,-0.2 0.925 71.0 46.1 -51.4 -54.9 3.6 57.3 -7.0 116 116 A S H > S+ 0 0 84 -4,-0.4 4,-2.8 1,-0.2 -1,-0.2 0.910 113.1 48.5 -57.1 -48.1 6.5 57.4 -9.5 117 117 A E H > S+ 0 0 106 1,-0.2 4,-3.0 2,-0.2 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85.5 -2.9 214 51 B I H X S+ 0 0 2 -4,-2.2 4,-2.0 -7,-0.2 -2,-0.2 0.930 113.3 44.9 -60.2 -47.9 -35.5 84.0 0.3 215 52 B V H X S+ 0 0 9 -4,-2.3 4,-2.5 -5,-0.2 -2,-0.2 0.967 115.7 46.1 -61.4 -54.7 -32.8 86.7 0.4 216 53 B A H X S+ 0 0 35 -4,-2.0 4,-2.4 1,-0.2 5,-0.2 0.949 114.7 44.9 -54.8 -56.7 -35.2 89.6 -0.3 217 54 B N H X S+ 0 0 82 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.888 114.3 50.3 -58.2 -38.0 -37.9 88.5 2.2 218 55 B A H X S+ 0 0 3 -4,-2.0 4,-2.7 -5,-0.3 -1,-0.2 0.889 109.3 52.4 -67.2 -36.7 -35.2 87.8 4.8 219 56 B A H X S+ 0 0 6 -4,-2.5 4,-2.4 2,-0.2 5,-0.3 0.948 109.9 46.7 -63.4 -50.3 -33.7 91.2 4.2 220 57 B R H X S+ 0 0 164 -4,-2.4 4,-1.9 1,-0.2 5,-0.2 0.911 113.6 50.9 -57.3 -43.3 -37.0 93.0 4.7 221 58 B A H X S+ 0 0 36 -4,-2.1 4,-1.6 -5,-0.2 -2,-0.2 0.950 111.0 46.9 -59.0 -53.1 -37.6 90.9 7.8 222 59 B L H X S+ 0 0 5 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.912 114.7 45.0 -56.4 -49.9 -34.1 91.8 9.3 223 60 B F H < S+ 0 0 25 -4,-2.4 7,-0.2 2,-0.2 -1,-0.2 0.817 111.4 51.9 -69.0 -30.3 -34.3 95.5 8.7 224 61 B A H < S+ 0 0 84 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.817 115.3 43.7 -73.5 -28.7 -37.9 95.8 10.0 225 62 B E H < S+ 0 0 105 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.771 125.7 33.6 -83.1 -30.9 -36.7 94.0 13.1 226 63 B Q >< + 0 0 25 -4,-2.0 3,-1.4 -5,-0.2 4,-0.4 -0.624 65.8 168.7-128.7 73.3 -33.5 96.1 13.3 227 64 B P T 3 + 0 0 65 0, 0.0 3,-0.2 0, 0.0 4,-0.2 0.595 68.3 75.8 -60.5 -14.4 -34.3 99.6 12.0 228 65 B Q T > S+ 0 0 107 1,-0.2 3,-1.4 2,-0.2 8,-0.1 0.869 85.8 62.1 -68.2 -35.0 -30.9 100.9 13.3 229 66 B L T < S+ 0 0 20 -3,-1.4 7,-1.7 1,-0.3 8,-0.7 0.864 106.1 44.3 -60.1 -36.7 -29.1 99.2 10.5 230 67 B I T 3 S+ 0 0 62 -4,-0.4 -1,-0.3 -3,-0.2 8,-0.2 0.362 89.7 107.0 -92.5 9.5 -30.9 101.3 7.9 231 68 B Q S X S- 0 0 100 -3,-1.4 3,-2.4 -4,-0.2 6,-0.4 -0.540 92.4 -81.3 -80.4 150.5 -30.5 104.6 9.8 232 69 B P T 3 S+ 0 0 102 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.303 122.6 24.9 -54.0 131.2 -28.0 107.0 8.3 233 70 B G T 3 S+ 0 0 71 1,-0.4 2,-0.3 -3,-0.1 -3,-0.1 0.449 96.9 120.9 91.1 -0.7 -24.6 105.9 9.5 234 71 B G S X S- 0 0 14 -3,-2.4 3,-1.9 -5,-0.1 -1,-0.4 -0.730 80.4-100.2 -95.5 167.0 -25.6 102.4 10.0 235 72 B X T 3 S+ 0 0 61 1,-0.3 -5,-0.1 -2,-0.3 -6,-0.1 0.555 118.5 41.4 -67.0 -11.2 -24.0 99.5 8.4 236 75 B A T 3 S+ 0 0 6 -7,-1.7 -1,-0.3 -5,-0.2 6,-0.2 0.484 85.3 113.7-113.5 -3.4 -26.7 99.1 5.8 237 76 B Y < + 0 0 108 -3,-1.9 4,-0.4 -8,-0.7 5,-0.2 -0.098 59.5 41.1 -57.9 162.0 -27.3 102.6 4.9 238 77 B T S > S- 0 0 46 -8,-0.2 4,-2.1 3,-0.2 3,-0.4 0.484 92.4 -98.4 68.1 146.2 -26.5 103.9 1.4 239 78 B N H > S+ 0 0 144 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.746 119.4 57.4 -66.7 -24.9 -27.2 101.7 -1.6 240 79 B R H > S+ 0 0 177 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.843 110.7 42.6 -77.2 -29.6 -23.6 100.3 -1.9 241 80 B R H > S+ 0 0 76 -4,-0.4 4,-2.4 -3,-0.4 -2,-0.2 0.901 115.5 49.1 -79.5 -39.5 -23.7 98.9 1.6 242 81 B M H X S+ 0 0 40 -4,-2.1 4,-2.6 -6,-0.2 5,-0.3 0.932 111.3 50.4 -63.0 -42.9 -27.2 97.6 1.2 243 82 B A H X S+ 0 0 56 -4,-2.1 4,-1.5 1,-0.2 -1,-0.2 0.882 110.9 49.9 -62.0 -35.2 -26.2 96.0 -2.1 244 83 B A H X S+ 0 0 26 -4,-1.2 4,-2.0 2,-0.2 -1,-0.2 0.867 110.6 49.0 -70.2 -37.2 -23.2 94.5 -0.3 245 84 B C H X S+ 0 0 33 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.912 111.0 48.4 -69.2 -43.2 -25.4 93.1 2.5 246 85 B L H X S+ 0 0 61 -4,-2.6 4,-1.6 1,-0.2 -1,-0.2 0.854 111.5 53.2 -63.8 -34.0 -27.9 91.6 0.1 247 86 B R H X S+ 0 0 138 -4,-1.5 4,-2.3 -5,-0.3 -2,-0.2 0.909 106.2 51.1 -67.3 -44.6 -24.9 90.1 -1.7 248 87 B D H X S+ 0 0 32 -4,-2.0 4,-2.8 1,-0.2 5,-0.2 0.941 108.0 52.3 -59.0 -48.5 -23.5 88.5 1.5 249 88 B M H X S+ 0 0 9 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.884 111.1 48.1 -55.7 -39.1 -26.8 86.9 2.3 250 89 B E H X S+ 0 0 81 -4,-1.6 4,-2.9 2,-0.2 -1,-0.2 0.881 109.8 52.3 -70.6 -36.9 -26.8 85.5 -1.2 251 90 B I H X S+ 0 0 49 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.940 111.1 46.5 -62.4 -49.3 -23.2 84.2 -0.8 252 91 B I H X S+ 0 0 4 -4,-2.8 4,-1.9 2,-0.2 -2,-0.2 0.961 114.3 47.8 -57.6 -52.4 -24.0 82.4 2.4 253 92 B L H X S+ 0 0 0 -4,-2.2 4,-2.5 -5,-0.2 3,-0.4 0.942 109.3 53.4 -54.5 -51.5 -27.1 80.9 0.9 254 93 B R H X S+ 0 0 26 -4,-2.9 4,-1.6 1,-0.2 -1,-0.2 0.919 110.8 45.9 -51.6 -47.7 -25.3 79.8 -2.2 255 94 B Y H X S+ 0 0 24 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.804 109.3 56.4 -68.2 -26.7 -22.6 78.0 -0.1 256 95 B V H X S+ 0 0 0 -4,-1.9 4,-2.2 -3,-0.4 -2,-0.2 0.948 105.3 49.6 -68.1 -47.2 -25.4 76.4 2.0 257 96 B T H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.874 108.0 57.6 -58.8 -33.0 -27.0 74.9 -1.0 258 97 B Y H X S+ 0 0 0 -4,-1.6 4,-1.4 -5,-0.3 -1,-0.2 0.943 106.4 46.2 -61.7 -47.2 -23.5 73.7 -1.9 259 98 B A H X>S+ 0 0 0 -4,-1.9 4,-1.9 1,-0.2 5,-1.1 0.842 109.9 54.7 -65.8 -32.6 -23.3 71.8 1.4 260 99 B I H <5S+ 0 0 0 -4,-2.2 -1,-0.2 2,-0.2 -2,-0.2 0.939 107.2 49.4 -65.3 -45.9 -26.8 70.3 1.0 261 100 B L H <5S+ 0 0 1 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.832 118.0 41.6 -62.4 -31.0 -25.9 68.9 -2.4 262 101 B A H <5S- 0 0 3 -4,-1.4 -95,-3.2 2,-0.2 -94,-0.2 0.710 97.9-133.9 -89.9 -24.1 -22.7 67.4 -0.9 263 102 B G T <5S+ 0 0 14 -4,-1.9 2,-0.3 -97,-0.2 -3,-0.2 0.770 79.3 84.3 74.2 21.8 -24.1 66.1 2.4 264 103 B D S S+ 0 0 19 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.366 73.8 102.9 -88.3 6.3 -20.3 71.2 5.4 266 105 B S H > S+ 0 0 12 -101,-0.2 4,-3.2 1,-0.2 5,-0.4 0.924 81.5 47.3 -55.6 -50.9 -16.6 71.3 4.3 267 106 B V H > S+ 0 0 1 -102,-0.5 4,-2.1 -3,-0.4 5,-0.4 0.894 114.4 49.4 -58.2 -39.7 -17.2 73.5 1.2 268 107 B L H >>S+ 0 0 0 -4,-0.3 5,-1.9 2,-0.2 4,-1.3 0.924 117.3 40.0 -64.2 -46.3 -19.3 75.8 3.3 269 108 B D H <>S+ 0 0 33 -4,-2.6 5,-2.8 3,-0.2 4,-0.2 0.966 119.8 43.1 -67.3 -55.5 -16.7 76.0 6.1 270 109 B D H <5S+ 0 0 102 -4,-3.2 -3,-0.2 -5,-0.2 -2,-0.2 0.860 124.7 30.5 -62.8 -42.7 -13.6 76.2 3.9 271 110 B R H <5S+ 0 0 114 -4,-2.1 -1,-0.2 -5,-0.4 -3,-0.2 0.737 136.1 12.3 -89.5 -20.9 -14.7 78.7 1.3 272 111 B C T <5S+ 0 0 14 -4,-1.3 -3,-0.2 -5,-0.4 -2,-0.1 0.765 121.8 41.2-130.8 -45.4 -17.1 80.8 3.3 273 112 B L T >> S+ 0 0 29 1,-0.1 4,-2.0 -2,-0.1 3,-0.3 0.297 97.0 121.0 77.7 -9.8 -12.3 83.8 8.9 276 115 B L H <> + 0 0 20 -3,-1.8 4,-2.0 1,-0.2 5,-0.2 0.861 69.2 57.7 -54.5 -41.8 -15.7 85.4 8.3 277 116 B R H X S+ 0 0 83 -4,-0.5 4,-1.8 56,-0.4 -1,-0.2 0.940 108.7 45.6 -54.5 -49.3 -16.1 86.5 11.9 278 117 B E H > S+ 0 0 98 -3,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.895 108.2 57.9 -61.5 -41.8 -12.8 88.4 11.7 279 118 B T H X S+ 0 0 74 -4,-2.0 4,-0.8 1,-0.2 -1,-0.2 0.890 109.3 43.3 -57.4 -43.9 -13.8 90.0 8.4 280 119 B Y H X>S+ 0 0 11 -4,-2.0 4,-1.2 2,-0.2 5,-1.1 0.849 111.4 54.1 -72.6 -33.9 -16.9 91.6 9.8 281 120 B Q H <5S+ 0 0 132 -4,-1.8 3,-0.2 1,-0.2 -2,-0.2 0.896 107.5 51.4 -65.5 -39.4 -15.2 92.7 13.0 282 121 B A H <5S+ 0 0 87 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.742 113.6 45.0 -68.1 -24.5 -12.6 94.5 10.9 283 122 B L H <5S- 0 0 107 -4,-0.8 -1,-0.2 -3,-0.2 -2,-0.2 0.617 110.8-116.8 -94.7 -15.6 -15.3 96.3 8.9 284 123 B G T <5 + 0 0 57 -4,-1.2 -3,-0.2 1,-0.3 -49,-0.1 0.386 65.6 145.9 93.2 -4.4 -17.5 97.2 11.8 285 124 B T < - 0 0 27 -5,-1.1 2,-0.5 -6,-0.2 -1,-0.3 -0.555 55.0-118.6 -71.0 123.6 -20.3 95.0 10.5 286 125 B P >> - 0 0 46 0, 0.0 4,-1.0 0, 0.0 3,-0.7 -0.504 20.0-160.0 -68.2 112.7 -22.2 93.5 13.5 287 126 B G H >> S+ 0 0 17 -2,-0.5 4,-2.0 1,-0.2 3,-0.6 0.866 88.6 61.0 -61.1 -39.8 -22.0 89.7 13.3 288 127 B S H 3> S+ 0 0 74 1,-0.3 4,-1.3 2,-0.2 -1,-0.2 0.828 104.5 51.9 -57.8 -32.1 -25.0 89.1 15.5 289 128 B S H <> S+ 0 0 11 -3,-0.7 4,-1.5 2,-0.2 -1,-0.3 0.785 104.8 53.7 -75.8 -28.4 -27.0 90.9 12.9 290 129 B V H < S+ 0 0 53 -4,-1.5 3,-0.6 1,-0.2 -2,-0.2 0.896 115.4 45.1 -71.7 -42.0 -40.0 76.3 0.7 305 144 B A H 3< S+ 0 0 7 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.813 117.1 43.0 -74.7 -30.6 -38.1 73.0 0.6 306 145 B N T 3< S+ 0 0 80 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.286 79.9 132.0-100.3 11.8 -40.5 71.1 2.8 307 146 B D < - 0 0 60 -3,-0.6 -3,-0.1 -4,-0.2 -4,-0.0 -0.432 52.0-146.0 -63.4 129.3 -43.7 72.4 1.2 308 147 B P > + 0 0 103 0, 0.0 3,-0.8 0, 0.0 2,-0.2 0.605 66.4 103.7 -75.6 -9.7 -46.0 69.5 0.4 309 148 B N T 3 S+ 0 0 120 1,-0.2 3,-0.1 3,-0.1 -2,-0.1 -0.508 87.1 4.8 -78.0 139.9 -47.4 71.0 -2.8 310 149 B G T 3 S+ 0 0 89 -2,-0.2 2,-0.3 1,-0.2 -1,-0.2 0.736 110.2 93.9 65.0 26.7 -46.2 69.8 -6.2 311 150 B I S < S- 0 0 51 -3,-0.8 -1,-0.2 3,-0.0 3,-0.0 -0.990 85.0 -94.2-147.9 150.7 -44.1 67.0 -4.8 312 151 B T - 0 0 127 -2,-0.3 -3,-0.1 1,-0.1 0, 0.0 -0.534 52.8-111.5 -67.5 115.3 -44.5 63.2 -4.1 313 152 B P + 0 0 123 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.127 61.2 122.3 -50.3 134.3 -45.5 62.9 -0.4 314 153 B G - 0 0 63 -3,-0.0 2,-0.3 -115,-0.0 -3,-0.0 -0.931 63.5 -66.1-179.5 164.9 -42.8 61.3 1.8 315 154 B D + 0 0 115 -2,-0.3 -116,-0.1 1,-0.1 4,-0.0 -0.475 47.6 154.9 -68.8 128.0 -40.7 61.8 4.9 316 155 B C > + 0 0 29 -2,-0.3 4,-1.6 -10,-0.1 -1,-0.1 0.002 35.8 113.2-138.0 22.6 -38.1 64.5 4.6 317 156 B S H > S+ 0 0 74 1,-0.2 4,-0.8 2,-0.2 5,-0.1 0.716 73.5 54.9 -75.5 -22.0 -37.6 65.4 8.1 318 157 B A H > S+ 0 0 74 2,-0.2 4,-1.9 1,-0.1 3,-0.3 0.916 108.8 48.6 -77.4 -43.9 -34.0 64.1 8.4 319 158 B L H > S+ 0 0 14 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.907 107.8 53.8 -61.6 -45.9 -32.9 66.3 5.5 320 159 B M H X S+ 0 0 17 -4,-1.6 4,-2.0 1,-0.2 -1,-0.2 0.802 108.8 49.8 -62.3 -27.7 -34.6 69.4 6.8 321 160 B S H X S+ 0 0 85 -4,-0.8 4,-2.3 -3,-0.3 -1,-0.2 0.890 110.3 50.0 -75.8 -39.2 -32.7 69.0 10.1 322 161 B E H X S+ 0 0 55 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.920 112.7 47.6 -62.1 -43.3 -29.5 68.5 8.2 323 162 B I H X S+ 0 0 0 -4,-2.7 4,-1.8 1,-0.2 -2,-0.2 0.906 110.2 50.9 -66.3 -42.2 -30.3 71.7 6.3 324 163 B A H X S+ 0 0 19 -4,-2.0 4,-2.9 1,-0.2 5,-0.3 0.896 105.8 58.6 -62.3 -38.5 -31.1 73.6 9.4 325 164 B G H X S+ 0 0 32 -4,-2.3 4,-2.8 1,-0.2 -1,-0.2 0.940 104.1 49.7 -55.6 -49.2 -27.8 72.5 10.9 326 165 B Y H X S+ 0 0 20 -4,-1.7 4,-1.4 2,-0.2 -1,-0.2 0.903 113.6 45.1 -57.7 -45.3 -25.9 74.1 8.0 327 166 B F H X S+ 0 0 0 -4,-1.8 4,-2.3 2,-0.2 3,-0.5 0.947 114.6 48.1 -63.6 -49.0 -27.7 77.4 8.4 328 167 B D H X S+ 0 0 62 -4,-2.9 4,-2.0 1,-0.3 -2,-0.2 0.881 110.5 52.8 -58.0 -39.4 -27.3 77.3 12.2 329 168 B R H < S+ 0 0 118 -4,-2.8 4,-0.5 -5,-0.3 -1,-0.3 0.794 108.9 49.7 -66.0 -31.0 -23.6 76.5 11.7 330 169 B A H < S+ 0 0 0 -4,-1.4 3,-0.4 -3,-0.5 -2,-0.2 0.876 111.1 48.8 -75.9 -37.6 -23.3 79.5 9.5 331 170 B A H >X S+ 0 0 9 -4,-2.3 4,-1.5 1,-0.2 3,-1.1 0.837 107.6 54.7 -69.7 -34.4 -24.9 81.8 12.0 332 171 B A T 3< S+ 0 0 66 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.665 99.1 63.8 -74.1 -15.8 -22.8 80.5 14.9 333 172 B A T 34 S+ 0 0 24 -4,-0.5 -56,-0.4 -3,-0.4 -1,-0.2 0.542 117.7 24.7 -84.6 -6.8 -19.7 81.4 12.8 334 173 B V T <4 0 0 3 -3,-1.1 -2,-0.2 -4,-0.2 -44,-0.2 0.484 360.0 360.0-131.8 -9.2 -20.5 85.1 12.9 335 174 B A < 0 0 70 -4,-1.5 -47,-0.1 -47,-0.1 -48,-0.1 -0.324 360.0 360.0 -62.7 360.0 -22.7 85.6 16.0