==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-MAR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PHOTOSYNTHESIS 04-SEP-12 4GXE . 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) . 15747.0 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 . 4 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 203 60.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 3.0 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 0 2 1 1 0 1 1 2 1 1 3 0 0 0 1 0 0 0 0 2 0 1 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 1 A M 0 0 26 0, 0.0 2,-0.6 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 137.8 62.4 -23.0 0.9 2 2 A K + 0 0 110 103,-0.1 103,-0.6 4,-0.1 106,-0.1 -0.526 360.0 144.9 -74.2 111.7 62.5 -21.7 -2.7 3 3 A T > - 0 0 1 -2,-0.6 4,-2.9 102,-0.1 5,-0.3 -0.917 62.7-102.8-136.5 160.6 62.8 -17.9 -2.8 4 4 A P H > S+ 0 0 28 0, 0.0 4,-1.8 0, 0.0 5,-0.1 0.915 124.0 46.6 -51.5 -43.3 64.6 -15.6 -5.3 5 5 A I H > S+ 0 0 1 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.954 114.3 45.3 -64.3 -52.2 67.3 -15.0 -2.7 6 6 A T H > S+ 0 0 5 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.810 109.0 55.6 -63.9 -32.8 67.7 -18.7 -1.7 7 7 A E H X S+ 0 0 99 -4,-2.9 4,-2.7 2,-0.2 -1,-0.2 0.951 107.2 51.7 -62.7 -46.4 67.7 -19.8 -5.4 8 8 A A H X S+ 0 0 10 -4,-1.8 4,-2.2 -5,-0.3 -2,-0.2 0.898 112.9 43.5 -53.9 -47.0 70.6 -17.4 -5.9 9 9 A I H X S+ 0 0 0 -4,-1.7 4,-3.6 2,-0.2 5,-0.3 0.940 110.9 55.9 -63.5 -49.9 72.5 -18.9 -2.9 10 10 A A H X S+ 0 0 34 -4,-2.9 4,-1.8 1,-0.2 -2,-0.2 0.885 109.3 47.5 -49.9 -45.0 71.6 -22.5 -4.0 11 11 A A H X S+ 0 0 42 -4,-2.7 4,-1.3 2,-0.2 -1,-0.2 0.971 114.6 44.5 -62.2 -54.6 73.2 -21.7 -7.4 12 12 A A H <>S+ 0 0 0 -4,-2.2 5,-2.0 1,-0.2 -2,-0.2 0.887 113.8 50.7 -57.9 -42.1 76.4 -20.3 -5.9 13 13 A D H ><5S+ 0 0 26 -4,-3.6 3,-1.3 1,-0.2 -1,-0.2 0.836 102.0 61.7 -67.6 -32.6 76.7 -23.0 -3.3 14 14 A T H 3<5S+ 0 0 122 -4,-1.8 -1,-0.2 -5,-0.3 -2,-0.2 0.927 111.1 37.7 -60.1 -44.7 76.3 -25.7 -6.0 15 15 A Q T 3<5S- 0 0 131 -4,-1.3 -1,-0.3 2,-0.1 -2,-0.2 0.193 111.0-120.4 -92.0 16.2 79.5 -24.6 -7.8 16 16 A G T < 5 + 0 0 41 -3,-1.3 2,-0.2 1,-0.2 -3,-0.2 0.723 69.6 129.7 54.2 26.7 81.3 -23.8 -4.5 17 17 A R < - 0 0 82 -5,-2.0 -1,-0.2 -6,-0.2 -2,-0.1 -0.722 63.1-105.8-111.7 161.2 81.8 -20.2 -5.5 18 18 A F - 0 0 31 -2,-0.2 2,-0.3 1,-0.2 -1,-0.1 -0.084 62.5 -68.9 -68.4-179.4 81.1 -16.9 -3.7 19 19 A L - 0 0 10 235,-0.1 -1,-0.2 185,-0.1 -10,-0.1 -0.575 50.8-138.8 -80.6 136.9 78.1 -14.9 -5.0 20 20 A S > - 0 0 38 -2,-0.3 4,-1.3 -3,-0.1 -1,-0.1 -0.046 21.7-111.7 -79.3-173.5 78.2 -13.3 -8.5 21 21 A N H > S+ 0 0 90 2,-0.2 4,-3.8 3,-0.1 5,-0.3 0.877 118.1 57.4 -84.6 -43.7 77.0 -9.9 -9.6 22 22 A T H > S+ 0 0 104 1,-0.2 4,-1.2 2,-0.2 -1,-0.1 0.879 108.9 47.0 -50.5 -44.5 74.3 -11.5 -11.7 23 23 A E H > S+ 0 0 17 2,-0.2 4,-1.7 1,-0.2 3,-0.4 0.942 112.2 48.9 -64.6 -50.7 73.1 -13.1 -8.5 24 24 A L H X S+ 0 0 10 -4,-1.3 4,-2.1 1,-0.3 -2,-0.2 0.916 107.7 54.4 -56.8 -45.5 73.3 -9.9 -6.6 25 25 A Q H X S+ 0 0 113 -4,-3.8 4,-1.6 1,-0.2 -1,-0.3 0.859 105.8 56.8 -57.1 -32.4 71.4 -8.1 -9.3 26 26 A A H X S+ 0 0 47 -4,-1.2 4,-1.9 -3,-0.4 -1,-0.2 0.907 104.0 48.6 -65.7 -46.6 68.7 -10.8 -8.9 27 27 A V H X S+ 0 0 0 -4,-1.7 4,-2.4 1,-0.2 -1,-0.2 0.922 109.3 55.2 -62.0 -42.4 68.2 -10.1 -5.2 28 28 A D H X S+ 0 0 42 -4,-2.1 4,-2.8 1,-0.2 -1,-0.2 0.878 104.9 51.8 -57.9 -39.7 67.9 -6.4 -5.9 29 29 A G H X S+ 0 0 19 -4,-1.6 4,-2.6 1,-0.2 -1,-0.2 0.918 109.5 51.0 -62.3 -39.8 65.2 -7.1 -8.4 30 30 A R H X S+ 0 0 2 -4,-1.9 4,-1.5 2,-0.2 -2,-0.2 0.902 110.2 48.3 -63.5 -41.8 63.4 -9.0 -5.7 31 31 A F H < S+ 0 0 11 -4,-2.4 4,-0.4 2,-0.2 -2,-0.2 0.919 112.3 49.4 -64.9 -43.7 63.8 -6.1 -3.2 32 32 A K H >< S+ 0 0 146 -4,-2.8 3,-1.1 1,-0.2 4,-0.4 0.947 113.3 45.6 -60.1 -46.9 62.4 -3.7 -5.8 33 33 A R H 3X S+ 0 0 139 -4,-2.6 4,-1.0 1,-0.2 -1,-0.2 0.755 97.5 78.9 -66.5 -24.6 59.5 -6.0 -6.5 34 34 A A H 3X S+ 0 0 0 -4,-1.5 4,-1.5 -5,-0.2 -1,-0.2 0.593 80.3 66.9 -60.2 -15.6 58.9 -6.5 -2.8 35 35 A V H X> S+ 0 0 102 -3,-1.1 4,-1.6 -4,-0.4 3,-0.7 0.996 104.0 36.6 -71.3 -72.7 57.2 -3.2 -2.3 36 36 A A H 3> S+ 0 0 18 -4,-0.4 4,-1.6 1,-0.2 -1,-0.2 0.769 119.2 55.9 -54.4 -23.1 53.9 -3.5 -4.2 37 37 A S H 3X S+ 0 0 2 -4,-1.0 4,-2.3 2,-0.2 -1,-0.2 0.846 103.5 49.0 -78.2 -38.2 54.0 -7.2 -3.0 38 38 A M H X S+ 0 0 29 -4,-2.7 4,-1.4 1,-0.2 3,-1.2 0.990 112.5 44.4 -53.9 -70.5 45.8 -5.6 2.0 44 44 A L H 3< S+ 0 0 5 -4,-2.1 3,-0.3 1,-0.3 4,-0.2 0.833 111.3 54.7 -44.7 -41.9 44.6 -9.2 1.7 45 45 A T H >< S+ 0 0 21 -4,-2.2 3,-0.7 -5,-0.3 -1,-0.3 0.874 107.5 50.1 -64.6 -34.2 45.6 -10.0 5.3 46 46 A N H << S+ 0 0 111 -4,-1.8 -1,-0.2 -3,-1.2 -2,-0.2 0.739 114.4 44.2 -74.7 -23.4 43.4 -7.1 6.5 47 47 A N T 3X S+ 0 0 76 -4,-1.4 4,-1.9 -3,-0.3 5,-0.3 0.265 81.3 121.8-100.7 7.8 40.5 -8.3 4.4 48 48 A A H <> S+ 0 0 18 -3,-0.7 4,-1.9 -5,-0.2 5,-0.2 0.852 70.6 45.1 -35.4 -63.1 41.1 -11.9 5.5 49 49 A Q H > S+ 0 0 128 -4,-0.2 4,-2.3 1,-0.2 5,-0.3 0.922 113.1 46.6 -56.2 -52.3 37.7 -12.6 7.1 50 50 A S H > S+ 0 0 73 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.847 113.2 49.8 -62.1 -34.6 35.4 -11.1 4.3 51 51 A L H X S+ 0 0 4 -4,-1.9 4,-1.1 2,-0.2 -1,-0.2 0.865 112.5 48.1 -71.6 -36.9 37.3 -12.8 1.5 52 52 A I H X S+ 0 0 11 -4,-1.9 4,-3.1 -5,-0.3 3,-0.4 0.995 118.8 37.6 -63.7 -63.2 37.1 -16.2 3.3 53 53 A D H X S+ 0 0 77 -4,-2.3 4,-2.1 1,-0.3 5,-0.2 0.887 116.8 51.1 -56.2 -45.9 33.4 -16.0 4.1 54 54 A G H X S+ 0 0 18 -4,-2.4 4,-1.4 -5,-0.3 -1,-0.3 0.820 114.2 46.8 -63.2 -27.5 32.6 -14.4 0.8 55 55 A A H X S+ 0 0 0 -4,-1.1 4,-0.9 -3,-0.4 -2,-0.3 0.891 106.0 58.4 -78.8 -42.4 34.6 -17.2 -0.7 56 56 A A H >< S+ 0 0 11 -4,-3.1 3,-1.4 1,-0.2 4,-0.4 0.962 109.9 42.7 -50.3 -59.8 32.8 -19.8 1.4 57 57 A Q H >X S+ 0 0 114 -4,-2.1 3,-4.0 1,-0.3 4,-0.7 0.947 105.1 62.2 -53.6 -56.8 29.4 -18.9 0.1 58 58 A A H 3X S+ 0 0 14 -4,-1.4 4,-1.4 1,-0.3 -1,-0.3 0.695 104.1 51.5 -45.1 -22.0 30.4 -18.5 -3.6 59 59 A V H << S+ 0 0 3 -3,-1.4 4,-0.5 -4,-0.9 -1,-0.3 0.545 104.1 56.0 -94.0 -8.3 31.4 -22.2 -3.5 60 60 A Y H <4 S+ 0 0 33 -3,-4.0 -2,-0.2 -4,-0.4 -1,-0.2 0.370 110.2 48.4 -98.5 0.5 27.9 -23.2 -2.1 61 61 A Q H < S+ 0 0 141 -4,-0.7 -2,-0.2 -3,-0.2 -3,-0.1 0.812 112.7 41.4-103.1 -52.5 26.4 -21.5 -5.1 62 62 A K S < S+ 0 0 124 -4,-1.4 -3,-0.1 1,-0.3 -2,-0.1 0.806 130.7 31.7 -66.9 -28.1 28.3 -22.9 -8.0 63 63 A F > + 0 0 36 -4,-0.5 3,-1.3 -5,-0.1 4,-0.3 -0.626 67.5 165.7-132.4 74.3 28.2 -26.3 -6.3 64 64 A P T >> + 0 0 70 0, 0.0 3,-2.0 0, 0.0 4,-0.7 0.806 68.3 72.6 -57.8 -35.7 24.9 -26.7 -4.3 65 65 A Y H 3> S+ 0 0 87 1,-0.3 4,-2.2 2,-0.2 3,-0.5 0.747 86.9 65.5 -54.3 -26.0 25.2 -30.4 -3.8 66 66 A T H <4 S+ 0 0 7 -3,-1.3 10,-0.8 1,-0.2 9,-0.3 0.792 100.4 50.8 -67.4 -28.6 28.0 -29.9 -1.3 67 67 A T H <4 S+ 0 0 58 -3,-2.0 -1,-0.2 -4,-0.3 -2,-0.2 0.642 123.8 27.2 -83.6 -17.0 25.5 -28.2 1.0 68 68 A T H < S+ 0 0 97 -4,-0.7 -2,-0.2 -3,-0.5 -3,-0.1 0.821 92.2 93.4-108.5 -57.4 23.0 -31.0 0.8 69 69 A M S < S- 0 0 85 -4,-2.2 7,-0.5 -5,-0.1 2,-0.1 -0.117 72.6-127.2 -46.8 128.7 24.7 -34.4 0.1 70 70 A Q + 0 0 159 5,-0.1 2,-0.1 6,-0.1 -1,-0.1 -0.448 60.5 97.5 -76.8 153.1 25.5 -36.3 3.3 71 71 A G S > S- 0 0 23 3,-0.2 3,-2.8 -2,-0.1 5,-0.3 -0.113 79.6 -99.4 131.7 129.2 29.0 -37.5 3.8 72 72 A S T 3 S+ 0 0 124 1,-0.3 5,-0.1 -2,-0.1 -1,-0.1 0.685 117.4 64.2 -45.9 -26.7 32.0 -36.1 5.8 73 73 A Q T 3 S+ 0 0 52 -3,-0.1 2,-0.3 2,-0.0 -1,-0.3 0.471 94.0 83.8 -79.6 1.8 33.6 -34.6 2.6 74 74 A Y S X S- 0 0 41 -3,-2.8 3,-0.6 1,-0.1 -3,-0.2 -0.812 76.0-138.1-111.6 147.9 30.6 -32.3 2.3 75 75 A A T 3 S+ 0 0 9 -2,-0.3 6,-0.4 -9,-0.3 -8,-0.2 0.335 72.7 116.8 -79.2 7.4 29.8 -29.0 3.9 76 76 A S T 3 S+ 0 0 26 -10,-0.8 -1,-0.2 -7,-0.5 -9,-0.1 0.622 77.9 39.6 -51.8 -13.6 26.3 -30.3 4.3 77 77 A T S <> S- 0 0 41 -3,-0.6 4,-2.5 -6,-0.1 5,-0.1 -0.751 95.3 -99.3-130.4 177.1 26.9 -30.0 8.0 78 78 A P H > S+ 0 0 86 0, 0.0 4,-3.5 0, 0.0 5,-0.2 0.990 121.3 44.7 -60.3 -65.0 28.6 -27.6 10.5 79 79 A E H > S+ 0 0 135 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.769 113.1 55.9 -51.8 -27.9 31.9 -29.4 11.0 80 80 A G H > S+ 0 0 10 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.985 111.2 41.1 -67.5 -56.5 31.8 -29.8 7.2 81 81 A K H X S+ 0 0 78 -4,-2.5 4,-3.0 -6,-0.4 5,-0.3 0.880 110.1 59.1 -55.5 -44.2 31.5 -26.1 6.8 82 82 A A H X S+ 0 0 60 -4,-3.5 4,-2.0 1,-0.2 -1,-0.2 0.947 106.1 49.8 -50.0 -52.9 34.1 -25.5 9.6 83 83 A K H X S+ 0 0 119 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.883 112.8 44.8 -52.9 -47.9 36.6 -27.6 7.5 84 84 A C H X S+ 0 0 23 -4,-1.7 4,-1.9 2,-0.2 5,-0.3 0.873 110.6 53.5 -68.8 -37.4 36.0 -25.6 4.3 85 85 A A H X S+ 0 0 43 -4,-3.0 4,-1.2 1,-0.2 -1,-0.2 0.877 111.0 49.8 -62.7 -35.3 36.1 -22.3 6.1 86 86 A R H X S+ 0 0 97 -4,-2.0 4,-2.4 -5,-0.3 -2,-0.2 0.890 108.2 52.0 -67.9 -43.6 39.5 -23.5 7.4 87 87 A D H X S+ 0 0 18 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.839 107.9 48.3 -66.0 -38.5 40.7 -24.5 3.9 88 88 A I H X S+ 0 0 4 -4,-1.9 4,-3.8 2,-0.2 5,-0.3 0.854 110.3 54.8 -70.2 -33.4 40.1 -21.2 2.2 89 89 A G H X S+ 0 0 13 -4,-1.2 4,-3.9 -5,-0.3 5,-0.3 0.967 109.8 46.3 -60.2 -50.9 41.8 -19.6 5.2 90 90 A Y H X S+ 0 0 99 -4,-2.4 4,-1.7 1,-0.2 -2,-0.2 0.910 114.6 47.3 -56.5 -45.6 44.7 -21.9 4.4 91 91 A Y H X S+ 0 0 16 -4,-2.7 4,-1.7 2,-0.2 -2,-0.2 0.944 116.4 43.2 -62.9 -46.4 44.5 -21.0 0.7 92 92 A L H X S+ 0 0 1 -4,-3.8 4,-1.6 1,-0.2 3,-0.5 0.977 111.9 52.9 -62.6 -53.4 44.3 -17.3 1.5 93 93 A R H X S+ 0 0 12 -4,-3.9 4,-1.2 -5,-0.3 -1,-0.2 0.820 107.8 55.1 -50.6 -32.9 47.0 -17.5 4.1 94 94 A M H X S+ 0 0 7 -4,-1.7 4,-2.3 -5,-0.3 13,-0.3 0.902 101.7 53.8 -70.7 -42.9 49.2 -19.2 1.4 95 95 A I H X S+ 0 0 1 -4,-1.7 4,-2.4 -3,-0.5 -2,-0.2 0.947 108.7 49.5 -57.6 -49.3 49.0 -16.5 -1.2 96 96 A T H X S+ 0 0 1 -4,-1.6 4,-2.4 1,-0.2 -1,-0.2 0.855 107.8 55.7 -60.7 -32.5 50.1 -13.8 1.2 97 97 A Y H X S+ 0 0 0 -4,-1.2 4,-2.0 -5,-0.3 -1,-0.2 0.953 108.1 46.8 -63.9 -46.2 53.0 -16.0 2.2 98 98 A C H X>S+ 0 0 0 -4,-2.3 4,-1.8 1,-0.2 5,-1.7 0.899 111.3 54.1 -60.3 -37.6 54.1 -16.2 -1.5 99 99 A L H <5S+ 0 0 1 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.908 110.0 45.3 -61.8 -43.6 53.6 -12.5 -1.6 100 100 A V H <5S+ 0 0 0 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.782 118.4 43.7 -70.8 -29.9 55.9 -11.9 1.4 101 101 A A H <5S- 0 0 0 -4,-2.0 -2,-0.2 2,-0.2 -1,-0.2 0.629 103.9-125.2 -93.6 -14.7 58.5 -14.3 0.1 102 102 A G T <5S+ 0 0 12 -4,-1.8 2,-0.3 1,-0.2 -3,-0.2 0.898 79.3 55.6 72.8 40.6 58.5 -13.2 -3.6 103 103 A G S S+ 0 0 20 -2,-0.3 4,-2.8 1,-0.2 3,-0.2 0.540 88.6 106.8 -87.3 -6.1 55.5 -19.7 -5.0 105 105 A G H > S+ 0 0 2 -103,-0.6 4,-2.7 1,-0.2 5,-0.3 0.857 75.2 49.2 -36.5 -62.0 57.8 -21.4 -2.6 106 106 A P H > S+ 0 0 0 0, 0.0 4,-2.8 0, 0.0 5,-0.4 0.935 116.7 43.0 -46.0 -56.1 55.6 -21.1 0.5 107 107 A M H >>S+ 0 0 0 -4,-0.3 5,-2.7 -13,-0.3 4,-1.9 0.853 113.1 53.6 -59.6 -39.4 52.6 -22.4 -1.5 108 108 A D H <>S+ 0 0 36 -4,-2.8 5,-2.7 3,-0.2 -1,-0.2 0.960 116.7 36.0 -60.1 -54.1 54.7 -25.1 -3.1 109 109 A E H <5S+ 0 0 100 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.1 0.916 125.8 35.7 -67.9 -48.7 56.0 -26.5 0.2 110 110 A Y H <5S+ 0 0 64 -4,-2.8 -3,-0.2 -5,-0.3 -2,-0.2 0.773 136.9 3.4 -82.5 -27.7 53.0 -26.1 2.4 111 111 A L T <5S+ 0 0 27 -4,-1.9 4,-0.3 -5,-0.4 -3,-0.2 0.726 120.8 54.0-122.7 -57.3 50.1 -26.8 -0.0 112 112 A I T > S+ 0 0 28 -2,-0.5 4,-2.0 3,-0.0 -1,-0.3 0.370 89.5 130.7 97.6 -4.7 50.9 -33.7 -2.0 115 115 A L H <> + 0 0 17 -3,-2.2 4,-2.1 -4,-0.3 5,-0.2 0.857 69.8 50.3 -47.3 -48.6 47.7 -31.8 -3.1 116 116 A S H >> S+ 0 0 80 -4,-0.3 4,-3.3 2,-0.2 3,-0.5 0.980 109.6 45.8 -58.2 -65.6 46.6 -34.6 -5.5 117 117 A E H 3> S+ 0 0 121 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.888 116.0 49.5 -45.6 -46.3 46.8 -37.6 -3.2 118 118 A I H 3X S+ 0 0 89 -4,-2.0 4,-1.8 2,-0.2 6,-0.3 0.848 113.4 43.5 -65.1 -38.4 45.1 -35.6 -0.5 119 119 A N H <<>S+ 0 0 15 -4,-2.1 5,-2.5 -3,-0.5 4,-0.4 0.921 117.8 47.5 -70.9 -44.2 42.2 -34.4 -2.7 120 120 A S H <5S+ 0 0 93 -4,-3.3 -2,-0.2 -5,-0.2 -3,-0.2 0.835 114.5 46.2 -63.6 -36.6 41.9 -37.9 -4.2 121 121 A T H <5S+ 0 0 94 -4,-2.6 -2,-0.2 -5,-0.3 -3,-0.2 0.960 116.3 39.5 -74.7 -53.0 42.0 -39.6 -0.7 122 122 A F T <5S- 0 0 126 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.370 111.6-114.8 -80.4 6.9 39.5 -37.4 1.2 123 123 A D T 5 + 0 0 101 -4,-0.4 2,-0.3 1,-0.2 -3,-0.2 0.872 59.7 162.0 61.5 38.9 37.2 -37.2 -1.8 124 124 A L < - 0 0 38 -5,-2.5 -1,-0.2 -6,-0.3 3,-0.1 -0.672 32.7-134.7 -88.6 145.2 37.9 -33.5 -2.0 125 125 A S >> - 0 0 32 -2,-0.3 3,-1.1 1,-0.1 4,-0.8 -0.909 6.1-149.3-111.3 121.6 37.1 -31.8 -5.3 126 126 A P H >> S+ 0 0 44 0, 0.0 4,-2.7 0, 0.0 3,-1.2 0.872 95.9 68.6 -46.4 -47.3 39.4 -29.2 -7.0 127 127 A S H 3> S+ 0 0 37 1,-0.3 4,-2.1 2,-0.2 5,-0.2 0.886 93.8 57.2 -39.8 -52.4 36.4 -27.4 -8.5 128 128 A W H <> S+ 0 0 24 -3,-1.1 4,-2.2 1,-0.2 -1,-0.3 0.868 114.2 38.0 -50.3 -42.9 35.4 -26.3 -5.0 129 129 A Y H < S+ 0 0 3 -4,-1.5 3,-1.4 -3,-0.3 4,-0.2 0.881 103.4 57.6 -62.1 -39.5 39.3 -14.1 -4.3 137 137 A K H 3< S+ 0 0 82 -4,-1.9 3,-0.4 1,-0.3 -1,-0.2 0.850 112.7 39.3 -61.2 -36.2 40.8 -12.9 -7.6 138 138 A A T 3< S+ 0 0 83 -4,-0.9 -1,-0.3 -3,-0.3 -2,-0.2 -0.027 117.3 49.1-102.8 30.1 37.8 -10.7 -8.3 139 139 A N S < S+ 0 0 80 -3,-1.4 -1,-0.2 -88,-0.0 -2,-0.2 0.143 80.0 88.1-155.6 16.4 37.2 -9.5 -4.7 140 140 A H S S- 0 0 15 -3,-0.4 -2,-0.1 -4,-0.2 -3,-0.1 0.385 78.5-141.7-100.7 0.3 40.5 -8.3 -3.4 141 143 A G + 0 0 79 1,-0.1 2,-0.3 -4,-0.0 -3,-0.1 0.873 46.9 150.8 36.5 57.0 40.1 -4.8 -4.7 142 144 A L - 0 0 22 5,-0.1 2,-0.3 4,-0.1 -1,-0.1 -0.846 21.9-176.6-114.5 150.6 43.8 -4.6 -5.6 143 145 A T > + 0 0 117 -2,-0.3 3,-0.6 4,-0.0 4,-0.2 -0.982 45.8 10.4-146.3 158.2 45.2 -2.5 -8.5 144 146 A G T 3> S- 0 0 51 -2,-0.3 4,-1.6 1,-0.2 3,-0.4 -0.495 125.6 -20.4 74.0-145.6 48.5 -1.8 -10.2 145 147 A Q H 3> S+ 0 0 105 1,-0.2 4,-2.5 2,-0.2 5,-0.4 0.923 132.5 66.4 -63.5 -45.4 51.3 -4.2 -9.2 146 148 A A H <> S+ 0 0 5 -3,-0.6 4,-1.7 1,-0.3 -1,-0.2 0.853 110.6 38.2 -42.9 -41.5 49.7 -5.3 -5.9 147 149 A A H > S+ 0 0 10 -3,-0.4 4,-2.9 -4,-0.2 -1,-0.3 0.837 112.4 57.3 -79.9 -36.2 47.0 -6.9 -8.1 148 150 A V H X S+ 0 0 74 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.985 113.6 38.7 -55.7 -61.6 49.4 -8.1 -10.7 149 161 A E H X S+ 0 0 31 -4,-2.5 4,-1.6 1,-0.2 3,-0.3 0.958 116.6 51.8 -52.5 -60.6 51.5 -10.1 -8.2 150 162 A A H X S+ 0 0 0 -4,-1.7 4,-1.4 -5,-0.4 -1,-0.2 0.902 111.3 46.3 -43.6 -56.4 48.5 -11.2 -6.2 151 163 A N H X S+ 0 0 40 -4,-2.9 4,-2.5 1,-0.2 5,-0.3 0.874 105.1 61.8 -58.1 -40.1 46.8 -12.6 -9.3 152 164 A A H X S+ 0 0 51 -4,-2.2 4,-1.7 -3,-0.3 -1,-0.2 0.940 107.5 42.4 -51.5 -54.4 49.9 -14.3 -10.5 153 165 A Y H X S+ 0 0 27 -4,-1.6 4,-1.5 1,-0.2 -1,-0.2 0.794 111.3 57.3 -64.3 -30.3 50.1 -16.6 -7.5 154 166 A I H X S+ 0 0 5 -4,-1.4 4,-1.1 -5,-0.3 3,-0.3 0.940 106.5 47.1 -65.0 -50.8 46.3 -17.2 -7.6 155 167 A D H X S+ 0 0 58 -4,-2.5 4,-2.5 1,-0.2 3,-0.5 0.883 108.2 57.7 -59.0 -37.8 46.4 -18.6 -11.1 156 168 A Y H X S+ 0 0 83 -4,-1.7 4,-1.8 -5,-0.3 -1,-0.2 0.889 103.2 52.7 -58.7 -40.6 49.3 -20.7 -10.0 157 169 A A H < S+ 0 0 2 -4,-1.5 -1,-0.3 -3,-0.3 -2,-0.2 0.770 110.6 50.1 -66.2 -26.6 47.1 -22.2 -7.3 158 170 A I H >< S+ 0 0 26 -4,-1.1 3,-2.1 -3,-0.5 -2,-0.2 0.948 108.4 47.2 -77.2 -53.7 44.6 -23.0 -10.1 159 171 A N H >< S+ 0 0 112 -4,-2.5 3,-1.5 1,-0.3 -2,-0.2 0.857 109.7 57.3 -55.8 -34.8 46.9 -24.7 -12.6 160 172 A A T 3< S+ 0 0 32 -4,-1.8 -1,-0.3 -5,-0.3 -2,-0.2 0.656 104.2 52.5 -69.4 -17.5 48.2 -26.7 -9.6 161 173 A L T < 0 0 10 -3,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.258 360.0 360.0-100.6 9.2 44.5 -27.8 -9.0 162 174 A S < 0 0 122 -3,-1.5 -1,-0.2 -4,-0.1 -2,-0.1 0.090 360.0 360.0-101.3 360.0 44.3 -29.0 -12.6 163 !* 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 0.0 164 1 B M 0 0 38 0, 0.0 2,-0.4 0, 0.0 -158,-0.1 0.000 360.0 360.0 360.0-175.2 67.4 -23.1 3.4 165 2 B L - 0 0 43 -159,-0.0 102,-0.5 -163,-0.0 2,-0.3 -0.953 360.0-163.5-126.4 143.0 65.7 -20.0 4.9 166 3 B D > - 0 0 0 -2,-0.4 4,-2.7 97,-0.1 5,-0.2 -0.772 47.5 -89.0-114.4 166.5 66.0 -16.3 4.2 167 4 B A H > S+ 0 0 10 95,-3.9 4,-1.3 -2,-0.3 96,-0.1 0.849 129.0 41.7 -42.1 -43.3 64.8 -13.4 6.4 168 5 B F H > S+ 0 0 3 94,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.934 113.5 49.1 -73.3 -47.7 61.4 -13.5 4.7 169 6 B A H > S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.809 107.4 60.0 -61.8 -28.7 61.0 -17.3 4.5 170 7 B K H X S+ 0 0 78 -4,-2.7 4,-2.0 2,-0.2 -1,-0.2 0.933 106.2 44.4 -64.1 -47.5 61.9 -17.4 8.2 171 8 B V H X S+ 0 0 21 -4,-1.3 4,-1.6 -5,-0.2 -2,-0.2 0.890 113.1 51.3 -65.1 -40.3 59.0 -15.2 9.2 172 9 B V H X S+ 0 0 0 -4,-2.1 4,-2.8 2,-0.2 5,-0.3 0.902 106.7 55.5 -64.0 -38.4 56.6 -17.1 7.0 173 10 B A H X S+ 0 0 23 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.964 107.7 48.1 -55.4 -54.6 57.9 -20.3 8.6 174 11 B Q H < S+ 0 0 97 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.778 114.4 46.8 -58.5 -31.6 57.0 -19.0 12.1 175 12 B A H >X>S+ 0 0 5 -4,-1.6 3,-2.5 2,-0.2 5,-1.7 0.953 108.1 52.6 -76.8 -50.6 53.5 -17.9 10.9 176 13 B D H ><5S+ 0 0 40 -4,-2.8 3,-1.3 1,-0.3 -2,-0.2 0.879 101.1 64.4 -50.4 -40.5 52.6 -21.1 9.1 177 14 B A T 3<5S+ 0 0 86 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.634 113.4 32.1 -61.2 -16.0 53.5 -23.0 12.3 178 15 B R T <45S- 0 0 160 -3,-2.5 -1,-0.3 2,-0.2 -2,-0.2 0.294 109.3-124.3-117.5 0.2 50.6 -21.2 14.0 179 16 B G T <<5 + 0 0 28 -3,-1.3 2,-0.3 -4,-0.8 -3,-0.2 0.747 67.8 135.6 59.0 26.1 48.5 -21.1 10.8 180 17 B E < - 0 0 68 -5,-1.7 -1,-0.2 -6,-0.1 -2,-0.2 -0.718 58.1-116.5-103.9 152.7 48.3 -17.3 11.3 181 18 B F - 0 0 44 -2,-0.3 -1,-0.1 1,-0.1 -88,-0.0 -0.402 52.7 -78.0 -79.4 161.9 48.8 -14.4 8.8 182 19 B L - 0 0 6 -89,-0.1 2,-0.2 -2,-0.1 -1,-0.1 -0.337 47.1-126.5 -64.2 143.3 51.7 -12.0 9.4 183 20 B T >> - 0 0 69 1,-0.1 4,-2.6 -3,-0.1 3,-0.8 -0.551 24.9-107.5 -86.9 156.7 51.1 -9.5 12.2 184 21 B N H 3> S+ 0 0 95 1,-0.3 4,-2.6 2,-0.2 5,-0.2 0.887 123.0 54.4 -49.0 -44.0 51.6 -5.8 11.4 185 22 B A H 3> S+ 0 0 70 1,-0.2 4,-1.5 2,-0.2 -1,-0.3 0.854 108.7 48.5 -60.2 -37.1 54.8 -5.9 13.5 186 23 B Q H <> S+ 0 0 44 -3,-0.8 4,-2.3 2,-0.2 5,-0.2 0.927 110.8 49.8 -69.6 -44.2 56.1 -8.7 11.3 187 24 B F H X S+ 0 0 2 -4,-2.6 4,-1.5 1,-0.2 -2,-0.2 0.886 109.3 53.3 -60.9 -37.0 55.2 -6.8 8.1 188 25 B D H X S+ 0 0 86 -4,-2.6 4,-1.1 -5,-0.3 -1,-0.2 0.882 108.3 50.2 -65.9 -36.9 57.0 -3.8 9.5 189 26 B A H >X S+ 0 0 51 -4,-1.5 4,-1.4 1,-0.2 3,-0.8 0.964 110.5 47.0 -67.0 -50.2 60.1 -5.9 10.0 190 27 B L H 3X S+ 0 0 3 -4,-2.3 4,-1.4 1,-0.2 -1,-0.2 0.781 111.1 54.2 -64.4 -23.2 60.2 -7.4 6.6 191 28 B S H 3X S+ 0 0 26 -4,-1.5 4,-1.6 -5,-0.2 -1,-0.2 0.718 104.4 51.4 -84.7 -20.2 59.7 -4.0 5.0 192 29 B N H < S+ 0 0 20 -4,-1.4 3,-1.9 1,-0.2 4,-0.3 0.934 113.0 50.9 -60.4 -48.5 63.8 -4.4 2.0 195 32 B K H 3< S+ 0 0 149 -4,-1.6 3,-0.4 1,-0.3 -1,-0.2 0.907 111.9 46.8 -55.3 -45.4 64.3 -0.6 2.5 196 33 B E T >X S+ 0 0 88 -4,-2.4 4,-1.3 1,-0.2 3,-0.5 0.352 86.3 113.3 -79.2 7.5 67.7 -1.2 4.0 197 34 B G H X> + 0 0 1 -3,-1.9 4,-1.8 1,-0.2 3,-1.4 0.910 64.5 54.9 -43.0 -69.5 68.3 -3.5 1.0 198 35 B N H 3> S+ 0 0 104 -3,-0.4 4,-2.1 -4,-0.3 -1,-0.2 0.820 104.8 55.9 -36.9 -47.0 71.0 -1.7 -0.9 199 36 B K H <> S+ 0 0 63 -3,-0.5 4,-1.8 1,-0.2 -1,-0.3 0.911 106.6 50.4 -56.6 -43.9 73.2 -1.6 2.2 200 37 B R H < S+ 0 0 0 -4,-3.3 3,-0.8 1,-0.2 4,-0.4 0.941 117.8 50.5 -59.4 -48.3 83.2 -8.8 1.6 208 45 B T H >< S+ 0 0 26 -4,-3.5 3,-1.1 -5,-0.3 4,-0.3 0.900 107.8 52.0 -56.1 -46.9 82.9 -11.1 -1.4 209 46 B S H 3< S+ 0 0 79 -4,-1.8 -1,-0.2 -5,-0.4 -2,-0.2 0.720 116.5 39.3 -66.0 -20.9 85.2 -8.9 -3.5 210 47 B N T S+ 0 0 6 -3,-1.1 4,-3.1 -4,-0.4 5,-0.3 0.866 74.5 52.7 -41.4 -53.3 87.5 -12.6 0.2 212 49 B S H > S+ 0 0 90 -4,-0.3 4,-2.6 1,-0.2 -1,-0.2 0.930 115.3 37.7 -53.1 -56.3 91.1 -13.4 -0.8 213 50 B T H > S+ 0 0 77 2,-0.2 4,-2.4 -3,-0.2 5,-0.3 0.870 114.5 57.3 -67.0 -36.5 92.8 -10.6 1.2 214 51 B I H X S+ 0 0 2 -4,-3.1 4,-1.6 -7,-0.2 -2,-0.2 0.957 114.2 37.8 -56.0 -54.7 90.3 -11.1 4.1 215 52 B V H X S+ 0 0 9 -4,-3.1 4,-2.4 -5,-0.2 3,-0.2 0.982 114.8 55.4 -59.3 -60.0 91.3 -14.8 4.4 216 53 B A H X S+ 0 0 33 -4,-2.6 4,-2.1 -5,-0.3 -2,-0.2 0.874 110.0 43.4 -37.8 -61.7 95.0 -14.1 3.7 217 54 B N H X S+ 0 0 92 -4,-2.4 4,-2.8 1,-0.2 -1,-0.2 0.887 110.6 55.0 -58.4 -43.2 95.5 -11.6 6.4 218 55 B A H X S+ 0 0 3 -4,-1.6 4,-3.0 -5,-0.3 -1,-0.2 0.923 107.6 51.5 -57.4 -44.8 93.5 -13.5 9.0 219 56 B A H X S+ 0 0 6 -4,-2.4 4,-2.5 2,-0.2 5,-0.4 0.977 109.9 47.9 -56.0 -58.7 95.8 -16.5 8.4 220 57 B R H X S+ 0 0 162 -4,-2.1 4,-1.6 1,-0.2 -2,-0.2 0.920 112.8 49.5 -47.5 -50.4 99.0 -14.4 8.9 221 58 B A H X S+ 0 0 31 -4,-2.8 4,-1.8 1,-0.2 3,-0.4 0.958 111.7 49.9 -53.6 -53.9 97.5 -12.9 12.1 222 59 B L H X S+ 0 0 3 -4,-3.0 4,-2.5 1,-0.3 3,-0.5 0.920 112.2 43.1 -50.6 -58.4 96.6 -16.4 13.4 223 60 B F H < S+ 0 0 25 -4,-2.5 -1,-0.3 1,-0.2 -2,-0.2 0.756 110.5 61.9 -64.7 -20.1 100.0 -18.1 12.8 224 61 B A H < S+ 0 0 77 -4,-1.6 -1,-0.2 -5,-0.4 -2,-0.2 0.889 112.2 33.1 -71.9 -41.3 101.5 -14.9 14.2 225 62 B E H < S+ 0 0 117 -4,-1.8 -2,-0.2 -3,-0.5 -1,-0.2 0.769 128.9 40.2 -84.6 -27.9 99.8 -15.3 17.6 226 63 B Q >< + 0 0 27 -4,-2.5 3,-1.8 -5,-0.3 4,-0.4 -0.550 60.6 163.5-121.8 67.9 100.0 -19.1 17.5 227 64 B P G > + 0 0 62 0, 0.0 3,-1.6 0, 0.0 -1,-0.1 0.763 67.1 77.6 -57.3 -22.1 103.3 -20.2 16.0 228 65 B Q G > S+ 0 0 107 1,-0.3 3,-1.0 2,-0.2 8,-0.1 0.743 83.2 64.4 -59.6 -24.6 102.8 -23.7 17.4 229 66 B L G < S+ 0 0 18 -3,-1.8 7,-2.9 1,-0.2 8,-0.6 0.770 105.4 44.2 -71.7 -24.0 100.4 -24.5 14.6 230 67 B I G < S+ 0 0 79 -3,-1.6 -1,-0.2 -4,-0.4 -2,-0.2 0.055 87.6 109.5-110.6 28.0 103.1 -24.1 12.0 231 68 B Q S < S- 0 0 118 -3,-1.0 2,-1.1 1,-0.1 3,-0.5 -0.239 96.1 -63.1 -79.2 178.8 105.8 -26.1 13.9 232 69 B P S S+ 0 0 109 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.630 128.2 1.3 -62.7 93.7 106.8 -29.4 12.4 233 70 B G S S+ 0 0 41 -2,-1.1 -3,-0.1 1,-0.3 -4,-0.1 0.174 89.8 134.9 110.5 -16.4 103.5 -31.3 12.8 234 71 B G S > S- 0 0 23 -3,-0.5 3,-0.8 1,-0.2 -1,-0.3 -0.236 79.2 -95.1 -56.8-179.3 101.3 -28.7 14.2 235 72 B X T 3 S+ 0 0 55 1,-0.3 -1,-0.2 49,-0.1 -5,-0.1 0.331 124.5 49.7 -87.6 -18.0 98.4 -29.0 12.4 236 75 B A T 3 S+ 0 0 7 -7,-2.9 6,-0.4 -5,-0.2 -1,-0.3 0.281 82.9 120.2 -98.3 2.2 99.1 -26.4 9.9 237 76 B Y < + 0 0 110 -3,-0.8 4,-0.4 -8,-0.6 -6,-0.1 -0.382 60.7 31.8 -65.5 137.9 102.6 -27.8 9.1 238 77 B T S > S- 0 0 51 3,-0.1 4,-3.0 -8,-0.1 5,-0.2 0.283 91.8 -96.1 89.2 141.3 103.2 -28.9 5.5 239 78 B N H > S+ 0 0 141 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.791 120.6 57.5 -61.7 -30.5 101.6 -27.3 2.4 240 79 B R H > S+ 0 0 181 2,-0.2 4,-2.5 3,-0.2 -1,-0.2 0.978 114.6 36.9 -64.7 -53.2 98.8 -29.9 2.2 241 80 B R H > S+ 0 0 60 -4,-0.4 4,-2.3 2,-0.2 -2,-0.2 0.942 118.9 49.4 -65.3 -46.0 97.6 -29.1 5.7 242 81 B M H X S+ 0 0 41 -4,-3.0 4,-2.3 -6,-0.4 5,-0.2 0.943 111.2 49.9 -57.8 -47.3 98.3 -25.4 5.4 243 82 B A H X S+ 0 0 53 -4,-2.8 4,-2.0 1,-0.2 -1,-0.2 0.945 109.6 53.4 -53.7 -48.7 96.4 -25.3 2.1 244 83 B A H X S+ 0 0 33 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.877 106.4 50.5 -54.1 -45.5 93.6 -27.1 3.9 245 84 B C H X S+ 0 0 33 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.947 108.7 52.4 -61.0 -47.0 93.4 -24.6 6.6 246 85 B L H X S+ 0 0 69 -4,-2.3 4,-1.7 1,-0.2 -1,-0.2 0.872 107.7 53.2 -55.3 -38.6 93.2 -21.8 4.1 247 86 B R H X S+ 0 0 147 -4,-2.0 4,-2.9 1,-0.2 -1,-0.2 0.899 107.3 50.9 -65.4 -40.2 90.4 -23.6 2.4 248 87 B D H X S+ 0 0 33 -4,-1.9 4,-2.9 2,-0.2 5,-0.2 0.896 105.9 53.9 -65.3 -40.3 88.4 -23.8 5.6 249 88 B M H X S+ 0 0 7 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.912 113.6 44.4 -61.7 -38.5 88.8 -20.1 6.3 250 89 B E H X S+ 0 0 74 -4,-1.7 4,-3.4 -5,-0.2 -2,-0.2 0.919 110.2 53.3 -72.0 -42.2 87.3 -19.5 2.9 251 90 B I H X S+ 0 0 56 -4,-2.9 4,-2.1 2,-0.2 -2,-0.2 0.955 113.1 45.4 -53.9 -53.1 84.5 -22.1 3.2 252 91 B I H X S+ 0 0 5 -4,-2.9 4,-2.5 2,-0.2 3,-0.3 0.963 114.6 47.6 -53.1 -57.9 83.5 -20.4 6.5 253 92 B L H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 5,-0.2 0.926 109.8 53.1 -49.6 -51.7 83.7 -16.9 4.9 254 93 B R H X S+ 0 0 18 -4,-3.4 4,-1.5 1,-0.2 -1,-0.2 0.874 110.3 46.8 -55.4 -41.5 81.8 -18.0 1.9 255 94 B Y H X S+ 0 0 20 -4,-2.1 4,-2.1 -3,-0.3 -1,-0.2 0.928 108.2 56.3 -69.0 -40.4 78.9 -19.4 4.0 256 95 B V H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 3,-0.5 0.956 106.1 50.1 -54.2 -52.8 78.9 -16.2 6.1 257 96 B T H X S+ 0 0 0 -4,-2.6 4,-2.0 1,-0.3 -1,-0.2 0.891 106.5 56.3 -55.3 -37.7 78.4 -14.0 3.0 258 97 B Y H X S+ 0 0 0 -4,-1.5 4,-1.5 -5,-0.2 -1,-0.3 0.927 108.9 47.0 -58.2 -42.0 75.5 -16.4 2.1 259 98 B A H X>S+ 0 0 0 -4,-2.1 4,-2.3 -3,-0.5 5,-1.1 0.876 105.8 58.4 -65.4 -40.0 74.0 -15.6 5.4 260 99 B I H <5S+ 0 0 0 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.907 111.1 43.4 -55.0 -45.5 74.6 -11.8 5.0 261 100 B L H <5S+ 0 0 1 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.783 113.2 50.4 -72.6 -31.2 72.5 -11.9 1.9 262 101 B A H <5S- 0 0 3 -4,-1.5 -95,-3.9 2,-0.3 -94,-0.3 0.820 95.0-133.6 -79.0 -31.8 69.7 -14.2 3.2 263 102 B G T <5S+ 0 0 14 -4,-2.3 2,-0.3 1,-0.3 -3,-0.1 0.736 82.3 82.6 79.8 21.3 69.0 -12.2 6.3 264 103 B D S S+ 0 0 19 -2,-0.3 4,-3.3 1,-0.2 3,-0.5 0.415 72.6 104.0-100.0 3.3 71.8 -18.1 9.3 266 105 B S H > S+ 0 0 12 1,-0.2 4,-3.1 -101,-0.2 5,-0.3 0.920 81.9 48.9 -49.5 -49.7 70.0 -21.2 8.3 267 106 B V H > S+ 0 0 0 -102,-0.5 4,-1.5 -3,-0.2 -1,-0.2 0.845 115.0 45.2 -60.7 -34.6 72.3 -21.8 5.3 268 107 B L H >>S+ 0 0 0 -3,-0.5 5,-2.4 -4,-0.2 4,-1.1 0.937 116.4 45.3 -72.7 -49.2 75.4 -21.2 7.5 269 108 B D H <>S+ 0 0 28 -4,-3.3 5,-2.1 3,-0.2 -2,-0.2 0.927 121.0 37.9 -59.5 -49.0 74.1 -23.4 10.3 270 109 B D H <5S+ 0 0 96 -4,-3.1 -3,-0.2 -5,-0.3 -2,-0.2 0.947 126.5 28.8 -72.0 -53.6 73.0 -26.3 8.1 271 110 B R H <5S+ 0 0 119 -4,-1.5 -1,-0.2 -5,-0.3 -2,-0.2 0.473 135.6 17.2 -85.6 -2.1 75.6 -26.5 5.3 272 111 B C T <5S+ 0 0 15 -4,-1.1 -3,-0.2 -5,-0.1 -4,-0.1 0.652 121.1 39.3-137.9 -55.8 78.6 -25.2 7.2 273 112 B L T > S+ 0 0 34 -2,-0.1 4,-2.5 58,-0.1 -1,-0.3 0.457 96.8 120.9 75.3 -0.5 78.9 -31.3 13.0 276 115 B L H <> + 0 0 24 -3,-1.6 4,-1.8 1,-0.2 5,-0.2 0.867 69.2 54.8 -62.5 -35.0 81.8 -29.0 12.3 277 116 B R H > S+ 0 0 88 -4,-0.4 4,-1.8 56,-0.3 -1,-0.2 0.896 110.0 44.6 -66.5 -41.1 83.0 -29.4 15.9 278 117 B E H > S+ 0 0 104 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.957 108.7 57.6 -66.7 -51.1 83.1 -33.2 15.8 279 118 B T H X S+ 0 0 76 -4,-2.5 4,-2.0 1,-0.2 6,-0.2 0.929 110.0 42.9 -43.0 -61.3 84.8 -33.2 12.4 280 119 B Y H X>S+ 0 0 11 -4,-1.8 4,-1.5 1,-0.2 5,-1.1 0.912 111.9 55.0 -55.2 -45.8 87.8 -31.1 13.7 281 120 B Q H ><5S+ 0 0 125 -4,-1.8 3,-0.9 1,-0.2 -1,-0.2 0.941 107.0 49.3 -52.8 -54.1 88.0 -33.1 16.9 282 121 B A H 3<5S+ 0 0 92 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.925 113.8 47.6 -50.8 -47.5 88.3 -36.4 15.1 283 122 B L H 3<5S- 0 0 109 -4,-2.0 -1,-0.3 -5,-0.3 -2,-0.2 0.667 111.7-120.2 -68.5 -21.5 91.0 -34.8 12.9 284 123 B G T <<5 + 0 0 53 -4,-1.5 -3,-0.2 -3,-0.9 -2,-0.1 0.249 62.8 148.3 95.9 -12.4 92.9 -33.4 15.9 285 124 B T < - 0 0 28 -5,-1.1 2,-0.7 -6,-0.2 -1,-0.3 -0.376 53.7-117.2 -59.7 126.6 92.4 -29.9 14.5 286 125 B P > - 0 0 47 0, 0.0 4,-1.6 0, 0.0 3,-0.2 -0.575 21.0-161.8 -72.4 108.1 92.1 -27.4 17.4 287 126 B G H > S+ 0 0 16 -2,-0.7 4,-2.9 1,-0.2 3,-0.3 0.935 87.2 61.7 -53.4 -53.8 88.7 -25.7 17.3 288 127 B S H > S+ 0 0 71 1,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.889 105.3 48.2 -38.6 -54.4 89.7 -22.8 19.5 289 128 B S H > S+ 0 0 11 -3,-0.2 4,-2.5 1,-0.2 -1,-0.3 0.909 108.6 52.3 -58.9 -44.0 92.3 -21.8 16.9 290 129 B V H X S+ 0 0 20 -4,-1.6 4,-1.7 -3,-0.3 -1,-0.2 0.948 108.2 53.0 -57.3 -43.6 89.8 -22.1 14.1 291 130 B A H X S+ 0 0 9 -4,-2.9 4,-3.1 1,-0.2 -1,-0.2 0.883 107.0 52.3 -58.5 -37.5 87.6 -19.8 16.2 292 131 B V H X S+ 0 0 33 -4,-1.9 4,-1.7 -5,-0.3 -1,-0.2 0.946 107.3 50.7 -61.8 -48.4 90.5 -17.4 16.4 293 132 B A H X S+ 0 0 3 -4,-2.5 4,-1.2 2,-0.2 -1,-0.2 0.786 113.5 47.2 -60.4 -28.1 90.9 -17.4 12.6 294 133 B I H >X S+ 0 0 3 -4,-1.7 4,-2.5 -5,-0.2 3,-0.5 0.952 107.5 53.7 -76.5 -54.6 87.2 -16.7 12.4 295 134 B Q H 3X S+ 0 0 74 -4,-3.1 4,-1.3 1,-0.3 -2,-0.2 0.792 111.9 49.0 -49.4 -29.3 87.2 -13.9 15.0 296 135 B K H 3X S+ 0 0 53 -4,-1.7 4,-1.9 2,-0.2 -1,-0.3 0.846 106.4 51.3 -83.2 -34.4 90.0 -12.3 12.9 297 136 B M H < S+ 0 0 44 -4,-1.5 3,-1.7 2,-0.2 -2,-0.2 0.968 116.2 45.8 -64.3 -59.7 85.9 -3.5 4.6 305 144 B A H 3< S+ 0 0 6 -4,-2.6 -3,-0.2 1,-0.3 -1,-0.2 0.902 120.1 40.5 -51.4 -47.2 82.1 -3.7 4.5 306 145 B N T 3< S+ 0 0 77 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.216 81.4 133.5 -90.4 12.0 81.7 -0.6 6.7 307 146 B D < - 0 0 58 -3,-1.7 -3,-0.1 1,-0.1 -4,-0.0 -0.492 50.5-147.5 -65.6 124.6 84.5 1.4 5.1 308 147 B P > + 0 0 104 0, 0.0 3,-0.9 0, 0.0 2,-0.2 0.657 67.4 101.0 -69.2 -14.9 83.1 5.0 4.5 309 148 B N T 3 S+ 0 0 122 1,-0.2 3,-0.1 3,-0.0 -2,-0.1 -0.516 90.3 4.3 -77.6 136.8 85.2 5.5 1.4 310 149 B G T 3 S+ 0 0 89 -2,-0.2 2,-0.3 1,-0.2 -1,-0.2 0.619 108.9 97.2 72.3 16.4 83.6 5.1 -2.0 311 150 B I S < S- 0 0 56 -3,-0.9 -1,-0.2 3,-0.0 3,-0.1 -0.982 82.8 -97.3-139.3 144.2 80.1 4.5 -0.6 312 151 B T - 0 0 124 -2,-0.3 -3,-0.0 1,-0.1 0, 0.0 -0.426 53.9-104.1 -60.6 125.6 77.0 6.8 -0.1 313 152 B P + 0 0 124 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.134 65.2 115.9 -53.4 143.8 77.0 8.0 3.6 314 153 B G - 0 0 65 -3,-0.1 2,-0.7 -115,-0.0 -3,-0.0 -0.895 66.5 -62.2 166.3 166.4 74.4 6.4 5.9 315 154 B D + 0 0 109 -2,-0.2 4,-0.2 1,-0.2 3,-0.1 -0.587 42.0 164.1 -79.1 111.8 74.0 4.2 9.0 316 155 B C > + 0 0 30 -2,-0.7 4,-2.5 1,-0.1 5,-0.3 0.488 46.4 105.1-101.6 -5.6 75.4 0.7 8.7 317 156 B S H > S+ 0 0 65 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.879 76.2 52.0 -41.3 -59.6 75.4 -0.2 12.4 318 157 B A H > S+ 0 0 80 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.936 114.7 43.3 -43.9 -60.1 72.4 -2.5 12.4 319 158 B L H > S+ 0 0 14 1,-0.2 4,-3.3 2,-0.2 5,-0.2 0.899 111.3 51.6 -54.0 -52.7 73.8 -4.6 9.6 320 159 B M H X S+ 0 0 15 -4,-2.5 4,-2.8 1,-0.2 -1,-0.2 0.914 108.5 54.1 -55.2 -42.4 77.4 -4.8 10.8 321 160 B S H X S+ 0 0 87 -4,-2.5 4,-2.4 -5,-0.3 -1,-0.2 0.941 111.1 45.2 -56.0 -48.5 76.0 -5.9 14.1 322 161 B E H X S+ 0 0 56 -4,-2.0 4,-2.0 -5,-0.2 -2,-0.2 0.954 110.9 52.3 -60.5 -50.8 74.1 -8.7 12.2 323 162 B I H X S+ 0 0 0 -4,-3.3 4,-1.9 1,-0.2 -1,-0.2 0.895 110.6 48.9 -52.4 -41.6 77.2 -9.6 10.2 324 163 B A H X S+ 0 0 19 -4,-2.8 4,-2.8 -5,-0.2 5,-0.3 0.921 104.2 60.7 -65.0 -43.1 79.2 -9.9 13.4 325 164 B G H X S+ 0 0 36 -4,-2.4 4,-3.1 -5,-0.2 -2,-0.2 0.953 105.6 47.1 -45.6 -61.2 76.4 -12.0 14.8 326 165 B Y H X S+ 0 0 21 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.915 112.6 47.4 -47.5 -56.9 77.0 -14.6 12.0 327 166 B F H X S+ 0 0 0 -4,-1.9 4,-2.2 1,-0.2 3,-0.4 0.946 114.8 46.5 -52.1 -53.5 80.8 -14.7 12.4 328 167 B D H X S+ 0 0 61 -4,-2.8 4,-2.3 1,-0.3 -1,-0.2 0.896 107.2 58.1 -55.4 -44.4 80.5 -15.1 16.2 329 168 B R H < S+ 0 0 117 -4,-3.1 4,-0.3 -5,-0.3 -1,-0.3 0.915 109.0 46.6 -52.7 -42.5 77.8 -17.7 15.7 330 169 B A H >< S+ 0 0 0 -4,-2.1 3,-1.7 -3,-0.4 -2,-0.2 0.936 110.2 49.4 -67.4 -48.0 80.4 -19.7 13.7 331 170 B A H >X S+ 0 0 4 -4,-2.2 4,-1.2 1,-0.3 3,-1.0 0.821 109.4 54.7 -61.7 -29.5 83.3 -19.3 16.1 332 171 B A T 3< S+ 0 0 70 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.581 101.6 60.5 -79.4 -9.0 81.0 -20.4 18.8 333 172 B A T <4 S+ 0 0 23 -3,-1.7 -56,-0.3 -4,-0.3 -1,-0.2 0.269 116.1 27.5-101.3 10.2 80.2 -23.5 16.8 334 173 B V T <4 0 0 5 -3,-1.0 -2,-0.2 -4,-0.1 -44,-0.2 0.417 360.0 360.0-144.3 -10.6 83.8 -24.9 16.7 335 174 B A < 0 0 73 -4,-1.2 -48,-0.1 -48,-0.2 -58,-0.0 -0.257 360.0 360.0 -78.6 360.0 85.5 -23.5 19.9