==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXYGEN TRANSPORT 02-DEC-03 1UT0 . COMPND 2 MOLECULE: CYTOGLOBIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR D.DE SANCTIS,S.DEWILDE,A.PESCE,L.MOENS,P.ASCENZI,T.HANKELN, . 308 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16186.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 259 84.1 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 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 45 14.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 203 65.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.6 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 0 0 0 0 0 0 0 0 3 1 4 0 2 0 0 0 0 2 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 18 A E 0 0 196 0, 0.0 2,-0.2 0, 0.0 136,-0.0 0.000 360.0 360.0 360.0 163.3 44.1 0.5 45.2 2 19 A L - 0 0 11 77,-0.2 2,-0.1 1,-0.1 131,-0.0 -0.557 360.0-124.5 -73.4 139.6 44.2 3.6 43.1 3 20 A S > - 0 0 57 -2,-0.2 4,-2.8 1,-0.1 5,-0.2 -0.273 33.7 -97.5 -71.4 171.7 47.6 4.7 41.8 4 21 A E H > S+ 0 0 137 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.944 126.1 46.4 -60.5 -50.3 48.7 8.2 42.6 5 22 A A H > S+ 0 0 74 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.896 114.4 48.8 -58.7 -38.3 47.7 9.6 39.2 6 23 A E H > S+ 0 0 31 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.912 110.7 49.8 -69.8 -40.8 44.3 7.7 39.4 7 24 A R H X S+ 0 0 42 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.926 112.3 47.9 -62.7 -45.6 43.7 9.1 42.9 8 25 A K H X S+ 0 0 118 -4,-2.7 4,-2.2 -5,-0.2 -1,-0.2 0.890 111.0 51.9 -62.2 -39.1 44.5 12.5 41.7 9 26 A A H X S+ 0 0 20 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.911 112.6 44.9 -64.0 -44.5 42.2 12.1 38.7 10 27 A V H X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.866 112.8 49.9 -66.9 -38.2 39.3 10.9 40.9 11 28 A Q H X S+ 0 0 28 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.905 110.9 49.1 -72.5 -36.5 39.7 13.7 43.5 12 29 A A H X S+ 0 0 54 -4,-2.2 4,-1.2 2,-0.2 -1,-0.2 0.903 114.2 45.8 -67.7 -41.1 39.8 16.5 40.9 13 30 A M H >X S+ 0 0 6 -4,-1.8 4,-1.5 -5,-0.2 3,-0.6 0.955 112.5 51.3 -61.3 -53.3 36.7 15.1 39.2 14 31 A W H 3X S+ 0 0 3 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.801 101.4 60.8 -57.7 -34.6 35.0 14.7 42.6 15 32 A A H 3X S+ 0 0 58 -4,-2.0 4,-1.3 1,-0.2 -1,-0.2 0.905 105.1 49.2 -59.8 -42.6 35.8 18.3 43.6 16 33 A R H << S+ 0 0 120 -4,-1.2 4,-0.4 -3,-0.6 3,-0.2 0.887 112.4 48.3 -60.8 -46.2 33.7 19.5 40.6 17 34 A L H >< S+ 0 0 1 -4,-1.5 3,-1.5 1,-0.2 7,-0.2 0.948 110.9 50.9 -54.7 -50.5 30.9 17.3 41.6 18 35 A Y H >< S+ 0 0 83 -4,-2.7 3,-1.7 1,-0.3 4,-0.2 0.642 86.4 80.3 -76.3 -17.0 31.0 18.4 45.2 19 36 A A T 3< S+ 0 0 85 -4,-1.3 -1,-0.3 1,-0.3 -2,-0.1 0.773 115.7 22.2 -57.9 -29.9 30.9 22.2 44.4 20 37 A N T <> S+ 0 0 77 -3,-1.5 4,-1.9 -4,-0.4 -1,-0.3 -0.474 84.8 153.2-128.2 65.0 27.1 21.5 44.1 21 38 A S H <> + 0 0 17 -3,-1.7 4,-2.6 1,-0.2 5,-0.2 0.864 68.6 54.3 -55.9 -43.9 27.1 18.3 46.2 22 39 A E H > S+ 0 0 138 1,-0.2 4,-1.7 -4,-0.2 -1,-0.2 0.945 112.9 40.0 -61.1 -51.9 23.4 18.8 47.1 23 40 A D H > S+ 0 0 104 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.753 115.8 50.7 -70.5 -31.5 22.1 19.1 43.6 24 41 A V H X S+ 0 0 3 -4,-1.9 4,-2.6 -7,-0.2 5,-0.2 0.943 110.0 49.8 -74.2 -47.7 24.3 16.4 42.1 25 42 A G H X S+ 0 0 3 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.891 113.7 46.2 -53.9 -43.5 23.3 13.9 44.9 26 43 A V H X S+ 0 0 6 -4,-1.7 4,-2.5 -5,-0.2 -1,-0.2 0.883 110.7 51.3 -70.1 -40.3 19.7 14.6 44.3 27 44 A A H X S+ 0 0 48 -4,-1.7 4,-2.2 1,-0.2 5,-0.2 0.927 110.7 50.3 -65.6 -43.0 19.9 14.4 40.5 28 45 A I H X S+ 0 0 4 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.912 113.0 44.7 -55.7 -49.5 21.7 11.0 40.8 29 46 A L H X S+ 0 0 2 -4,-2.0 4,-2.7 2,-0.2 5,-0.2 0.898 111.0 52.8 -71.3 -35.1 19.0 9.6 43.2 30 47 A V H X S+ 0 0 20 -4,-2.5 4,-2.7 2,-0.2 5,-0.3 0.957 111.8 46.3 -63.2 -47.5 16.1 10.9 41.1 31 48 A R H X S+ 0 0 54 -4,-2.2 4,-2.6 -5,-0.2 5,-0.2 0.920 112.1 52.3 -61.3 -40.6 17.5 9.2 38.0 32 49 A F H X S+ 0 0 12 -4,-2.3 4,-1.9 -5,-0.2 7,-0.2 0.943 113.4 42.2 -57.3 -50.3 18.1 6.0 40.1 33 50 A F H < S+ 0 0 0 -4,-2.7 7,-0.2 2,-0.2 -2,-0.2 0.811 116.0 48.2 -73.9 -31.7 14.5 5.9 41.4 34 51 A V H < S+ 0 0 46 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.936 119.3 39.0 -68.3 -46.2 12.9 6.7 38.0 35 52 A N H < S+ 0 0 6 -4,-2.6 -2,-0.2 -5,-0.3 -3,-0.2 0.715 129.2 31.6 -82.9 -19.1 15.0 4.2 36.1 36 53 A F >< + 0 0 5 -4,-1.9 3,-1.7 -5,-0.2 4,-0.3 -0.643 66.5 172.5-137.2 75.1 14.9 1.5 38.8 37 54 A P G > S+ 0 0 48 0, 0.0 3,-1.5 0, 0.0 4,-0.3 0.769 73.7 70.3 -55.8 -29.4 11.5 1.9 40.6 38 55 A S G > S+ 0 0 35 1,-0.3 3,-1.6 2,-0.2 4,-0.1 0.824 87.3 65.5 -58.6 -31.9 12.1 -1.3 42.6 39 56 A A G X S+ 0 0 3 -3,-1.7 3,-1.1 1,-0.3 -1,-0.3 0.745 86.7 70.4 -65.5 -21.3 14.8 0.6 44.6 40 57 A K G X S+ 0 0 4 -3,-1.5 3,-2.2 -4,-0.3 -1,-0.3 0.677 74.0 88.0 -67.1 -18.3 12.1 2.9 46.1 41 58 A Q G < S+ 0 0 113 -3,-1.6 -1,-0.2 1,-0.3 -2,-0.1 0.664 83.5 55.3 -58.4 -18.7 10.7 -0.0 48.1 42 59 A Y G < S+ 0 0 56 -3,-1.1 2,-0.6 -4,-0.1 -1,-0.3 0.408 92.8 80.2 -93.5 3.1 13.2 0.7 51.0 43 60 A F X> - 0 0 30 -3,-2.2 3,-1.2 1,-0.1 4,-0.9 -0.931 61.9-162.2-122.9 110.4 12.1 4.3 51.4 44 61 A S T 34 S+ 0 0 68 -2,-0.6 3,-0.2 1,-0.3 -1,-0.1 0.799 86.8 49.7 -66.5 -37.0 8.9 4.9 53.4 45 62 A Q T 34 S+ 0 0 134 1,-0.2 -1,-0.3 2,-0.1 16,-0.1 0.523 126.5 22.7 -82.1 -6.4 8.1 8.4 52.3 46 63 A F T X4 S+ 0 0 4 -3,-1.2 3,-1.2 -6,-0.2 -2,-0.2 0.278 75.6 119.5-147.1 24.4 8.5 7.7 48.5 47 64 A K T 3< S+ 0 0 101 -4,-0.9 -7,-0.1 1,-0.3 -3,-0.1 0.645 94.5 30.9 -63.9 -22.0 8.0 4.0 47.8 48 65 A H T 3 S+ 0 0 156 -4,-0.1 2,-0.3 -8,-0.1 -1,-0.3 0.183 92.3 121.0-120.9 11.6 5.0 4.7 45.6 49 66 A M < + 0 0 37 -3,-1.2 -9,-0.1 1,-0.1 -3,-0.1 -0.631 25.5 164.4 -79.7 136.5 6.1 8.1 44.3 50 67 A E + 0 0 115 -2,-0.3 -1,-0.1 1,-0.0 5,-0.0 0.627 43.9 97.9-122.1 -33.7 6.5 8.4 40.6 51 68 A D > - 0 0 74 1,-0.2 4,-1.7 2,-0.1 3,-0.3 -0.504 59.7-154.4 -65.4 115.7 6.6 12.1 39.8 52 69 A P H > S+ 0 0 49 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.657 93.0 58.6 -65.9 -17.7 10.4 13.1 39.5 53 70 A L H > S+ 0 0 79 2,-0.2 4,-1.3 1,-0.2 5,-0.1 0.872 108.2 45.7 -78.3 -38.6 9.7 16.7 40.5 54 71 A E H > S+ 0 0 104 -3,-0.3 4,-0.5 2,-0.2 -1,-0.2 0.820 111.3 52.4 -67.3 -36.5 8.3 15.4 43.8 55 72 A M H >< S+ 0 0 2 -4,-1.7 3,-1.1 2,-0.2 -2,-0.2 0.930 107.8 51.9 -62.9 -45.0 11.2 13.1 44.2 56 73 A E H 3< S+ 0 0 94 -4,-1.7 -2,-0.2 1,-0.3 -1,-0.2 0.826 116.1 40.5 -58.7 -36.7 13.5 16.1 43.6 57 74 A R H 3< S+ 0 0 181 -4,-1.3 -1,-0.3 -5,-0.0 -2,-0.2 0.401 87.3 123.0 -92.4 -0.6 11.7 18.0 46.4 58 75 A S S+ 0 0 110 0, 0.0 4,-1.5 0, 0.0 -1,-0.1 0.910 98.0 45.6 -53.0 -46.9 12.9 15.6 52.2 60 77 A Q H > S+ 0 0 42 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.800 114.3 48.9 -70.5 -31.2 13.8 11.9 52.8 61 78 A L H > S+ 0 0 0 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.942 112.6 47.4 -67.8 -46.7 15.2 11.6 49.3 62 79 A R H X S+ 0 0 95 -4,-2.9 4,-1.8 1,-0.2 -2,-0.2 0.786 110.6 53.8 -69.2 -25.1 17.3 14.7 49.7 63 80 A K H X S+ 0 0 137 -4,-1.5 4,-1.9 -5,-0.2 -1,-0.2 0.936 109.7 44.9 -72.9 -50.4 18.5 13.5 53.0 64 81 A H H X S+ 0 0 40 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.895 111.2 55.7 -62.9 -37.0 19.7 10.1 51.6 65 82 A A H X S+ 0 0 2 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.920 107.3 49.3 -53.6 -46.1 21.3 12.1 48.8 66 83 A S H X S+ 0 0 74 -4,-1.8 4,-1.6 1,-0.2 -2,-0.2 0.882 113.1 46.5 -64.1 -36.1 23.2 14.2 51.3 67 84 A R H X S+ 0 0 186 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.776 111.7 50.2 -78.2 -32.3 24.4 11.0 53.2 68 85 A V H X S+ 0 0 25 -4,-2.2 4,-2.9 2,-0.2 5,-0.2 0.974 114.3 44.5 -67.8 -53.8 25.4 9.2 49.9 69 86 A M H X S+ 0 0 3 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.834 114.8 49.8 -55.7 -38.3 27.4 12.2 48.8 70 87 A G H X S+ 0 0 21 -4,-1.6 4,-2.0 2,-0.2 -1,-0.2 0.903 112.4 45.1 -73.1 -42.1 29.0 12.7 52.2 71 88 A A H X S+ 0 0 32 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.934 115.5 48.0 -66.5 -44.7 30.0 9.0 52.6 72 89 A L H X S+ 0 0 28 -4,-2.9 4,-2.9 1,-0.2 -2,-0.2 0.924 109.9 54.0 -56.3 -43.9 31.4 9.1 49.0 73 90 A N H X S+ 0 0 34 -4,-2.2 4,-2.4 -5,-0.2 5,-0.2 0.900 106.7 50.6 -60.1 -39.7 33.2 12.3 49.9 74 91 A T H X S+ 0 0 44 -4,-2.0 4,-1.4 1,-0.2 -1,-0.2 0.926 112.2 47.6 -62.7 -44.8 34.8 10.7 52.9 75 92 A V H < S+ 0 0 1 -4,-2.1 -2,-0.2 2,-0.2 -1,-0.2 0.926 114.8 44.5 -62.3 -48.9 36.0 7.8 50.7 76 93 A V H >< S+ 0 0 2 -4,-2.9 3,-1.3 1,-0.2 -2,-0.2 0.935 112.8 48.3 -65.2 -52.7 37.4 10.0 47.9 77 94 A E H 3< S+ 0 0 85 -4,-2.4 3,-0.3 1,-0.3 -1,-0.2 0.797 117.6 44.3 -57.5 -29.9 39.2 12.6 50.1 78 95 A N T >< S+ 0 0 53 -4,-1.4 3,-1.0 -5,-0.2 7,-0.5 -0.103 72.5 116.4-108.9 33.5 40.8 9.7 52.1 79 96 A L T < S+ 0 0 17 -3,-1.3 -77,-0.2 1,-0.2 -1,-0.2 0.683 72.4 62.4 -74.6 -19.1 41.9 7.4 49.3 80 97 A H T 3 S+ 0 0 113 -3,-0.3 -1,-0.2 1,-0.2 -2,-0.1 0.624 101.4 57.1 -76.8 -14.9 45.5 7.9 50.3 81 98 A D S X> S- 0 0 79 -3,-1.0 4,-1.4 1,-0.1 3,-1.3 -0.783 70.6-176.2-117.3 81.9 44.6 6.3 53.7 82 99 A P H 3> S+ 0 0 56 0, 0.0 4,-1.8 0, 0.0 -1,-0.1 0.603 78.6 61.6 -62.0 -16.9 43.2 2.9 52.7 83 100 A D H 3> S+ 0 0 127 2,-0.2 4,-2.7 3,-0.2 5,-0.1 0.830 104.3 50.3 -75.6 -35.8 42.2 1.9 56.3 84 101 A K H <> S+ 0 0 85 -3,-1.3 4,-2.7 2,-0.2 5,-0.2 0.928 109.9 48.9 -62.4 -45.9 39.8 4.9 56.4 85 102 A V H X S+ 0 0 6 -4,-1.4 4,-2.2 -7,-0.5 5,-0.2 0.943 113.2 48.4 -64.5 -38.5 38.2 3.8 53.0 86 103 A S H X S+ 0 0 56 -4,-1.8 4,-2.0 1,-0.2 5,-0.2 0.969 111.2 51.5 -59.8 -50.2 37.9 0.3 54.4 87 104 A S H X S+ 0 0 56 -4,-2.7 4,-1.9 1,-0.2 3,-0.3 0.921 112.3 43.9 -50.2 -56.2 36.4 1.7 57.7 88 105 A V H X S+ 0 0 18 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.913 114.5 48.0 -60.5 -45.4 33.7 3.8 55.9 89 106 A L H X S+ 0 0 8 -4,-2.2 4,-2.6 -5,-0.2 -1,-0.2 0.725 108.9 53.2 -75.7 -23.6 32.6 1.2 53.4 90 107 A A H X S+ 0 0 31 -4,-2.0 4,-3.7 -3,-0.3 5,-0.4 0.964 109.8 48.3 -65.5 -56.7 32.3 -1.6 55.9 91 108 A L H X S+ 0 0 111 -4,-1.9 4,-2.0 1,-0.2 -2,-0.2 0.903 117.4 42.1 -54.1 -47.4 30.0 0.6 58.1 92 109 A V H X S+ 0 0 34 -4,-2.3 4,-2.5 2,-0.2 5,-0.3 0.977 115.1 51.2 -59.7 -55.0 28.0 1.5 55.0 93 110 A G H X S+ 0 0 0 -4,-2.6 4,-1.5 1,-0.3 -2,-0.2 0.887 114.6 41.0 -51.9 -50.0 28.1 -2.1 53.8 94 111 A K H X S+ 0 0 65 -4,-3.7 4,-3.0 2,-0.2 5,-0.3 0.904 112.6 55.4 -63.7 -47.0 26.9 -3.7 57.0 95 112 A A H X>S+ 0 0 29 -4,-2.0 4,-1.8 -5,-0.4 5,-1.8 0.899 110.5 44.7 -60.3 -41.3 24.3 -1.0 57.6 96 113 A H H <5S+ 0 0 32 -4,-2.5 6,-2.5 1,-0.2 -1,-0.3 0.802 115.2 48.8 -75.7 -26.4 22.7 -1.5 54.4 97 114 A A H <5S+ 0 0 5 -4,-1.5 -2,-0.2 -5,-0.3 -1,-0.2 0.903 124.7 25.4 -74.0 -38.2 22.8 -5.3 54.7 98 115 A L H <5S+ 0 0 101 -4,-3.0 -3,-0.2 3,-0.1 -2,-0.2 0.854 130.6 25.6-104.3 -50.6 21.4 -5.4 58.3 99 116 A K T <5S+ 0 0 168 -4,-1.8 -3,-0.2 -5,-0.3 -4,-0.1 0.930 132.8 31.4 -81.2 -57.6 19.2 -2.4 59.1 100 117 A H S - 0 0 94 -2,-0.5 3,-1.9 1,-0.1 4,-0.3 -0.357 26.9-128.5 -48.8 129.7 19.9 -6.3 48.0 104 121 A P T >> S+ 0 0 26 0, 0.0 3,-2.0 0, 0.0 4,-0.6 0.789 101.8 72.2 -65.0 -27.4 23.6 -5.6 47.3 105 122 A V H 3> S+ 0 0 24 1,-0.3 4,-2.3 2,-0.2 3,-0.5 0.772 82.3 71.9 -56.0 -28.5 23.1 -5.5 43.5 106 123 A Y H <> S+ 0 0 10 -3,-1.9 4,-2.8 1,-0.2 -1,-0.3 0.767 90.6 59.5 -61.1 -22.7 21.4 -2.1 44.0 107 124 A F H <> S+ 0 0 32 -3,-2.0 4,-2.1 -4,-0.3 -1,-0.2 0.896 106.1 46.9 -69.9 -38.5 24.9 -0.7 44.8 108 125 A K H X S+ 0 0 23 -4,-0.6 4,-1.6 -3,-0.5 -2,-0.2 0.924 113.4 48.8 -65.6 -46.7 26.0 -1.8 41.3 109 126 A I H X S+ 0 0 0 -4,-2.3 4,-1.8 2,-0.2 3,-0.5 0.956 111.9 48.1 -57.8 -52.9 22.9 -0.3 39.8 110 127 A L H X S+ 0 0 23 -4,-2.8 4,-2.7 1,-0.2 -1,-0.2 0.890 108.8 54.9 -56.5 -41.6 23.3 3.0 41.7 111 128 A S H X S+ 0 0 15 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.851 105.4 52.6 -62.0 -34.0 27.0 3.2 40.6 112 129 A G H X S+ 0 0 2 -4,-1.6 4,-2.3 -3,-0.5 -1,-0.2 0.864 110.5 47.1 -66.4 -38.9 26.0 2.8 37.0 113 130 A V H X S+ 0 0 4 -4,-1.8 4,-2.8 2,-0.2 5,-0.2 0.898 109.1 54.2 -67.0 -41.3 23.6 5.8 37.4 114 131 A I H X S+ 0 0 13 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.930 110.1 48.2 -56.1 -43.6 26.4 7.7 39.1 115 132 A L H X S+ 0 0 25 -4,-2.1 4,-3.0 1,-0.2 5,-0.2 0.929 110.7 50.2 -64.3 -47.8 28.6 7.0 36.0 116 133 A E H X S+ 0 0 11 -4,-2.3 4,-1.7 2,-0.2 -1,-0.2 0.918 112.9 46.3 -55.4 -46.8 25.8 8.1 33.6 117 134 A V H X S+ 0 0 6 -4,-2.8 4,-2.8 2,-0.2 5,-0.3 0.938 113.6 48.2 -67.4 -41.7 25.2 11.3 35.5 118 135 A V H X S+ 0 0 1 -4,-2.5 4,-2.2 -5,-0.2 -2,-0.2 0.934 110.8 51.0 -62.8 -45.4 29.0 12.1 35.8 119 136 A A H < S+ 0 0 39 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.809 116.9 41.7 -60.7 -32.9 29.5 11.4 32.1 120 137 A E H >< S+ 0 0 81 -4,-1.7 3,-0.6 -5,-0.2 -2,-0.2 0.929 119.9 38.7 -76.5 -48.2 26.6 13.7 31.2 121 138 A E H 3< S+ 0 0 114 -4,-2.8 -2,-0.2 1,-0.2 -3,-0.2 0.743 130.4 26.2 -83.2 -22.6 27.3 16.6 33.6 122 139 A F T >< S+ 0 0 28 -4,-2.2 3,-1.2 -5,-0.3 -1,-0.2 -0.187 74.6 134.0-137.5 39.7 31.0 16.7 33.4 123 140 A A G X S+ 0 0 59 -3,-0.6 3,-2.2 1,-0.3 -2,-0.1 0.928 71.5 56.0 -62.9 -53.6 31.8 15.3 29.9 124 141 A S G 3 S+ 0 0 126 1,-0.3 -1,-0.3 -3,-0.1 -5,-0.1 0.539 112.3 47.0 -55.0 -9.5 34.4 17.9 28.9 125 142 A D G < S+ 0 0 69 -3,-1.2 -1,-0.3 1,-0.1 -2,-0.2 0.047 94.1 87.7-115.9 28.8 36.3 17.0 32.2 126 143 A F < + 0 0 14 -3,-2.2 -1,-0.1 -7,-0.1 -2,-0.1 -0.477 50.8 168.0-133.9 63.0 36.1 13.2 31.7 127 144 A P >> - 0 0 49 0, 0.0 4,-2.4 0, 0.0 3,-0.7 -0.234 53.0 -97.1 -68.3 163.3 39.0 11.9 29.6 128 145 A P H 3> S+ 0 0 91 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.758 123.3 57.7 -50.6 -37.0 39.7 8.1 29.4 129 146 A E H 3> S+ 0 0 135 2,-0.2 4,-2.0 1,-0.2 -120,-0.1 0.876 112.3 42.5 -60.0 -41.6 42.4 8.2 32.2 130 147 A T H <> S+ 0 0 15 -3,-0.7 4,-2.7 2,-0.2 -1,-0.2 0.864 111.3 53.8 -73.4 -41.8 39.8 9.7 34.5 131 148 A Q H X S+ 0 0 87 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.913 111.5 46.7 -56.6 -46.1 37.0 7.3 33.3 132 149 A R H X S+ 0 0 136 -4,-2.6 4,-1.8 2,-0.2 -2,-0.2 0.921 112.1 50.0 -64.3 -45.6 39.4 4.4 34.1 133 150 A A H X S+ 0 0 0 -4,-2.0 4,-2.0 1,-0.2 3,-0.2 0.943 111.5 48.5 -56.9 -48.0 40.2 5.9 37.5 134 151 A W H X S+ 0 0 14 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.855 107.7 55.4 -59.8 -37.8 36.5 6.4 38.3 135 152 A A H X S+ 0 0 53 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.846 106.1 51.6 -67.3 -34.7 35.8 2.8 37.3 136 153 A K H X S+ 0 0 114 -4,-1.8 4,-2.7 -3,-0.2 -2,-0.2 0.905 108.2 51.5 -65.7 -42.4 38.5 1.5 39.8 137 154 A L H X S+ 0 0 7 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.884 109.6 50.5 -56.9 -40.8 36.8 3.6 42.5 138 155 A R H X S+ 0 0 36 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.901 111.2 47.7 -65.5 -43.1 33.5 1.9 41.6 139 156 A G H X S+ 0 0 38 -4,-2.0 4,-2.3 2,-0.2 5,-0.2 0.899 110.4 52.7 -63.5 -43.7 35.0 -1.5 41.7 140 157 A L H X S+ 0 0 26 -4,-2.7 4,-2.2 2,-0.2 5,-0.2 0.938 111.1 46.7 -54.5 -49.6 36.6 -0.7 45.0 141 158 A I H X S+ 0 0 17 -4,-2.4 4,-2.6 1,-0.2 5,-0.3 0.950 114.2 46.4 -61.2 -49.4 33.2 0.4 46.4 142 159 A Y H X S+ 0 0 66 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.811 113.2 48.2 -67.6 -33.1 31.3 -2.6 45.2 143 160 A S H X S+ 0 0 62 -4,-2.3 4,-1.6 2,-0.2 -1,-0.2 0.911 114.8 44.9 -74.5 -42.6 33.9 -5.2 46.3 144 161 A H H X S+ 0 0 59 -4,-2.2 4,-1.4 -5,-0.2 -2,-0.2 0.878 116.6 45.4 -66.4 -41.8 34.2 -3.7 49.9 145 162 A V H X S+ 0 0 1 -4,-2.6 4,-1.6 -5,-0.2 -2,-0.2 0.912 113.9 50.6 -66.2 -40.6 30.4 -3.4 50.2 146 163 A T H X S+ 0 0 46 -4,-1.8 4,-1.5 -5,-0.3 -2,-0.2 0.775 108.7 51.4 -67.1 -31.4 30.0 -6.9 48.8 147 164 A A H X S+ 0 0 55 -4,-1.6 4,-2.0 2,-0.2 -1,-0.2 0.818 106.3 55.1 -74.2 -34.0 32.5 -8.3 51.3 148 165 A A H X S+ 0 0 4 -4,-1.4 4,-0.7 2,-0.2 -2,-0.2 0.857 106.2 51.1 -68.3 -35.1 30.6 -6.6 54.2 149 166 A Y H ><>S+ 0 0 5 -4,-1.6 5,-1.8 1,-0.2 3,-1.0 0.942 110.9 48.1 -64.7 -47.8 27.4 -8.4 53.1 150 167 A K H ><5S+ 0 0 158 -4,-1.5 3,-1.8 1,-0.2 -2,-0.2 0.874 102.7 64.9 -57.2 -40.2 29.3 -11.8 53.1 151 168 A E H 3<5S+ 0 0 146 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.722 106.1 41.1 -57.7 -29.0 30.8 -11.1 56.5 152 169 A V T <<5S- 0 0 62 -3,-1.0 -1,-0.3 -4,-0.7 -2,-0.2 -0.016 120.3-105.0-111.8 29.4 27.3 -11.1 58.2 153 170 A G T < 5 0 0 65 -3,-1.8 -3,-0.2 1,-0.2 -2,-0.1 0.860 360.0 360.0 49.1 49.6 26.0 -14.1 56.3 154 171 A W < 0 0 146 -5,-1.8 -1,-0.2 0, 0.0 -56,-0.0 -0.380 360.0 360.0 -58.0 360.0 23.7 -12.3 53.9 155 !* 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 0.0 156 18 B E 0 0 131 0, 0.0 6,-0.1 0, 0.0 78,-0.0 0.000 360.0 360.0 360.0 -45.5 -3.0 -7.8 29.1 157 19 B L - 0 0 26 134,-0.1 131,-0.0 4,-0.1 5,-0.0 0.260 360.0 -73.7 63.1 128.6 -2.3 -3.6 29.6 158 20 B S > - 0 0 62 1,-0.1 4,-1.6 4,-0.0 5,-0.1 -0.047 40.8-113.9 -49.7 162.8 -5.2 -1.3 28.9 159 21 B E H > S+ 0 0 120 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.884 121.4 48.5 -68.7 -43.0 -6.2 -0.8 25.3 160 22 B A H > S+ 0 0 71 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.851 113.0 47.4 -65.5 -37.0 -5.2 2.9 25.6 161 23 B E H > S+ 0 0 39 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.828 110.5 53.6 -72.2 -32.8 -1.9 1.8 27.2 162 24 B R H X S+ 0 0 43 -4,-1.6 4,-2.4 2,-0.2 -2,-0.2 0.960 111.2 44.1 -63.3 -52.7 -1.5 -0.8 24.4 163 25 B K H X S+ 0 0 138 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.876 111.9 55.6 -58.8 -39.8 -1.9 1.9 21.7 164 26 B A H X S+ 0 0 21 -4,-1.8 4,-1.6 1,-0.2 -1,-0.2 0.915 111.4 42.0 -59.9 -46.4 0.4 4.2 23.8 165 27 B V H X S+ 0 0 0 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.862 114.0 51.2 -71.6 -40.6 3.2 1.7 23.8 166 28 B Q H X S+ 0 0 60 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.828 109.9 51.0 -67.4 -32.3 2.7 0.7 20.1 167 29 B A H X S+ 0 0 66 -4,-2.1 4,-0.6 -5,-0.2 -2,-0.2 0.828 113.1 44.8 -76.1 -32.6 2.8 4.4 19.1 168 30 B M H >X S+ 0 0 2 -4,-1.6 4,-1.5 -5,-0.2 3,-1.0 0.925 112.6 52.3 -67.1 -46.8 6.1 4.9 21.0 169 31 B W H 3X S+ 0 0 6 -4,-2.6 4,-3.0 1,-0.3 5,-0.2 0.843 100.8 59.6 -62.2 -38.3 7.6 1.7 19.7 170 32 B A H 3X S+ 0 0 62 -4,-1.7 4,-1.2 1,-0.2 -1,-0.3 0.813 105.2 51.9 -59.4 -30.0 6.8 2.6 16.1 171 33 B R H < S+ 0 0 1 -4,-1.5 3,-0.6 1,-0.2 7,-0.3 0.864 114.0 54.4 -62.5 -41.0 12.0 3.6 18.0 173 35 B Y H >< S+ 0 0 94 -4,-3.0 3,-1.7 1,-0.2 -2,-0.2 0.768 91.3 70.1 -75.8 -27.0 11.5 0.9 15.4 174 36 B A H 3< S+ 0 0 90 -4,-1.2 -1,-0.2 1,-0.3 3,-0.1 0.894 116.3 27.7 -52.7 -40.1 11.7 3.2 12.3 175 37 B N T + 0 0 13 -3,-1.7 4,-2.4 1,-0.2 5,-0.2 0.839 64.8 48.6 -53.0 -44.4 15.5 0.1 14.8 177 39 B E H > S+ 0 0 92 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.906 111.7 45.5 -72.0 -45.6 19.2 -0.6 14.3 178 40 B D H > S+ 0 0 86 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.838 114.4 50.0 -66.7 -38.2 20.6 2.7 15.6 179 41 B V H X S+ 0 0 1 -4,-2.0 4,-2.6 -7,-0.3 -2,-0.2 0.937 110.2 49.6 -65.5 -46.7 18.3 2.7 18.6 180 42 B G H X S+ 0 0 2 -4,-2.4 4,-2.4 -5,-0.2 -2,-0.2 0.879 113.1 46.5 -57.5 -44.0 19.3 -0.9 19.5 181 43 B V H X S+ 0 0 7 -4,-1.9 4,-2.5 2,-0.2 5,-0.2 0.879 110.5 52.2 -68.0 -41.3 23.0 -0.2 19.3 182 44 B A H X S+ 0 0 30 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.921 110.9 49.2 -62.7 -41.5 22.6 3.0 21.3 183 45 B I H X S+ 0 0 7 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.946 113.6 45.1 -59.1 -47.3 20.8 1.0 24.0 184 46 B L H X S+ 0 0 1 -4,-2.4 4,-2.8 1,-0.2 5,-0.2 0.870 111.3 50.9 -72.5 -38.4 23.5 -1.7 24.1 185 47 B V H X S+ 0 0 20 -4,-2.5 4,-2.3 2,-0.2 5,-0.3 0.936 112.3 47.6 -63.7 -45.4 26.5 0.6 24.1 186 48 B R H X S+ 0 0 67 -4,-1.9 4,-2.5 -5,-0.2 5,-0.2 0.916 113.1 49.8 -58.1 -45.9 24.9 2.5 27.0 187 49 B F H X S+ 0 0 11 -4,-2.4 4,-2.3 1,-0.2 7,-0.2 0.909 114.1 44.1 -57.9 -48.2 24.2 -0.8 28.8 188 50 B F H < S+ 0 0 1 -4,-2.8 7,-0.3 2,-0.2 -1,-0.2 0.803 115.3 47.0 -70.2 -34.7 27.8 -2.1 28.3 189 51 B V H < S+ 0 0 53 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.917 119.6 38.8 -72.1 -46.3 29.5 1.2 29.2 190 52 B N H < S+ 0 0 7 -4,-2.5 -2,-0.2 -5,-0.3 -3,-0.2 0.814 128.6 33.8 -78.2 -25.0 27.4 1.7 32.4 191 53 B F >X + 0 0 5 -4,-2.3 3,-2.2 -5,-0.2 4,-0.6 -0.633 63.5 172.0-128.1 73.7 27.5 -2.0 33.3 192 54 B P H >> S+ 0 0 52 0, 0.0 3,-0.8 0, 0.0 4,-0.6 0.777 76.8 69.3 -50.3 -31.6 30.8 -3.5 32.3 193 55 B S H >4 S+ 0 0 36 1,-0.2 3,-0.8 2,-0.2 4,-0.3 0.816 92.7 59.9 -58.8 -31.4 29.9 -6.8 34.1 194 56 B A H X4 S+ 0 0 1 -3,-2.2 3,-1.2 -7,-0.2 -1,-0.2 0.837 94.1 64.2 -63.5 -34.5 27.2 -7.2 31.3 195 57 B K H X< S+ 0 0 19 -3,-0.8 3,-2.0 -4,-0.6 6,-0.3 0.731 83.0 78.6 -59.4 -26.0 30.0 -7.3 28.7 196 58 B Q T << S+ 0 0 85 -3,-0.8 -1,-0.2 -4,-0.6 -2,-0.2 0.764 84.8 59.5 -61.4 -26.8 31.4 -10.4 30.1 197 59 B Y T < S+ 0 0 82 -3,-1.2 2,-0.8 -4,-0.3 -1,-0.3 0.593 93.1 75.8 -73.9 -12.0 28.8 -12.6 28.5 198 60 B F X> - 0 0 32 -3,-2.0 3,-1.6 -4,-0.2 4,-1.0 -0.832 58.7-173.4-109.2 95.0 29.8 -11.4 25.0 199 61 B S T 34 S+ 0 0 96 -2,-0.8 4,-0.2 1,-0.3 3,-0.2 0.802 82.9 66.5 -54.3 -33.6 33.1 -13.1 24.0 200 62 B Q T 34 S+ 0 0 82 1,-0.2 -1,-0.3 -3,-0.1 15,-0.1 0.781 122.8 5.7 -58.3 -38.0 33.1 -10.8 20.9 201 63 B F T X4 S+ 0 0 3 -3,-1.6 3,-0.9 -6,-0.3 -1,-0.2 0.126 82.7 121.8-142.1 28.7 33.6 -7.5 22.9 202 64 B K T 3< S+ 0 0 73 -4,-1.0 -3,-0.1 1,-0.3 -2,-0.1 0.733 89.0 41.5 -68.0 -19.9 34.2 -8.3 26.5 203 65 B H T 3 S+ 0 0 138 -4,-0.2 -1,-0.3 -8,-0.1 2,-0.2 0.485 90.2 114.8 -97.7 -8.5 37.6 -6.5 26.3 204 66 B M < + 0 0 48 -3,-0.9 -3,-0.1 1,-0.1 -9,-0.0 -0.475 30.0 163.1 -70.8 129.2 36.2 -3.7 24.2 205 67 B E + 0 0 152 -2,-0.2 -1,-0.1 1,-0.0 3,-0.0 0.670 44.3 90.3-115.7 -30.0 36.3 -0.3 26.0 206 68 B D > - 0 0 71 1,-0.2 4,-2.1 2,-0.0 3,-0.3 -0.623 59.0-155.4 -81.5 115.1 35.8 2.4 23.3 207 69 B P H > S+ 0 0 52 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.810 94.6 58.0 -57.9 -32.0 32.1 3.2 22.8 208 70 B L H > S+ 0 0 119 1,-0.2 4,-0.7 2,-0.2 -2,-0.0 0.883 109.3 45.0 -65.9 -38.7 32.8 4.5 19.2 209 71 B E H >> S+ 0 0 100 -3,-0.3 4,-0.7 2,-0.2 3,-0.6 0.886 108.5 58.2 -64.3 -41.9 34.3 1.1 18.4 210 72 B M H >< S+ 0 0 2 -4,-2.1 3,-1.3 1,-0.3 7,-0.2 0.924 105.0 48.8 -58.4 -46.9 31.3 -0.7 20.2 211 73 B E H 3< S+ 0 0 87 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.732 113.8 47.6 -68.3 -22.2 28.8 1.0 17.9 212 74 B R H << S+ 0 0 168 -4,-0.7 -1,-0.3 -3,-0.6 -2,-0.2 0.461 91.4 111.5 -91.1 -2.2 30.9 0.0 14.8 213 75 B S S+ 0 0 103 0, 0.0 4,-0.6 0, 0.0 -1,-0.1 0.833 97.5 42.5 -75.1 -34.3 29.7 -6.7 14.3 215 77 B Q H > S+ 0 0 78 2,-0.2 4,-1.7 1,-0.1 5,-0.1 0.765 113.1 49.9 -90.3 -29.2 28.5 -8.8 17.3 216 78 B L H > S+ 0 0 0 2,-0.2 4,-2.1 -6,-0.2 5,-0.2 0.938 109.9 53.0 -65.6 -50.7 27.1 -5.9 19.4 217 79 B R H X S+ 0 0 75 -4,-1.4 4,-1.9 -7,-0.2 -2,-0.2 0.777 108.0 54.1 -52.6 -31.6 25.2 -4.8 16.3 218 80 B K H X S+ 0 0 110 -4,-0.6 4,-2.3 2,-0.2 5,-0.2 0.931 108.0 45.2 -68.7 -50.8 23.9 -8.4 16.1 219 81 B H H X S+ 0 0 48 -4,-1.7 4,-2.2 1,-0.2 -2,-0.2 0.839 114.0 53.4 -65.9 -30.5 22.5 -8.6 19.6 220 82 B A H X S+ 0 0 0 -4,-2.1 4,-2.7 2,-0.2 5,-0.2 0.956 109.4 45.0 -66.9 -54.5 20.9 -5.1 19.0 221 83 B S H X S+ 0 0 56 -4,-1.9 4,-1.4 1,-0.2 -2,-0.2 0.907 118.4 44.2 -56.3 -44.7 19.1 -6.1 15.9 222 84 B R H X S+ 0 0 154 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.832 111.4 52.7 -74.8 -32.8 17.9 -9.3 17.4 223 85 B V H X S+ 0 0 26 -4,-2.2 4,-2.3 -5,-0.2 -2,-0.2 0.945 111.3 47.4 -63.6 -47.0 16.9 -7.6 20.7 224 86 B M H X S+ 0 0 2 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.798 110.6 53.7 -63.2 -29.9 14.9 -5.1 18.8 225 87 B G H X S+ 0 0 26 -4,-1.4 4,-1.8 2,-0.2 -1,-0.2 0.893 110.0 44.6 -74.0 -42.4 13.3 -7.9 16.8 226 88 B A H X S+ 0 0 35 -4,-2.1 4,-1.6 2,-0.2 -2,-0.2 0.900 114.4 50.1 -66.7 -40.4 12.1 -9.9 19.8 227 89 B L H X S+ 0 0 31 -4,-2.3 4,-2.5 1,-0.2 3,-0.3 0.939 107.3 55.5 -63.2 -44.9 10.9 -6.7 21.4 228 90 B N H X S+ 0 0 29 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.894 105.7 50.9 -53.8 -43.0 9.0 -5.9 18.1 229 91 B T H X S+ 0 0 51 -4,-1.8 4,-1.2 2,-0.2 -1,-0.2 0.875 110.6 50.1 -62.3 -38.8 7.2 -9.2 18.3 230 92 B V H >< S+ 0 0 4 -4,-1.6 3,-0.5 -3,-0.3 -2,-0.2 0.974 113.8 43.0 -65.3 -53.4 6.1 -8.5 21.9 231 93 B V H >< S+ 0 0 4 -4,-2.5 3,-1.5 1,-0.2 -2,-0.2 0.892 112.8 51.7 -60.1 -43.8 4.8 -5.0 21.1 232 94 B E H 3< S+ 0 0 118 -4,-2.6 -1,-0.2 1,-0.3 3,-0.2 0.756 115.2 44.1 -68.5 -24.0 3.0 -6.0 17.9 233 95 B N T X< S+ 0 0 43 -4,-1.2 3,-1.7 -3,-0.5 7,-0.3 -0.020 73.2 117.9-106.9 26.9 1.3 -8.8 19.7 234 96 B L T < S+ 0 0 3 -3,-1.5 -1,-0.1 1,-0.3 -2,-0.1 0.717 71.8 62.2 -66.3 -22.0 0.3 -7.0 23.0 235 97 B H T 3 S+ 0 0 116 -3,-0.2 -1,-0.3 1,-0.2 -2,-0.1 0.495 96.8 66.7 -77.5 -4.3 -3.4 -7.6 22.2 236 98 B D X> - 0 0 50 -3,-1.7 4,-1.8 1,-0.1 3,-1.2 -0.804 65.1-173.2-122.0 83.6 -2.6 -11.3 22.4 237 99 B P H 3> S+ 0 0 49 0, 0.0 4,-2.1 0, 0.0 -1,-0.1 0.791 85.7 50.8 -47.8 -36.6 -1.7 -12.2 26.1 238 100 B D H 3> S+ 0 0 118 2,-0.2 4,-1.0 1,-0.2 5,-0.1 0.748 108.0 51.7 -78.7 -25.6 -0.7 -15.8 25.2 239 101 B K H <> S+ 0 0 79 -3,-1.2 4,-1.8 -6,-0.2 -1,-0.2 0.824 111.8 46.7 -76.1 -34.3 1.5 -14.7 22.4 240 102 B V H X S+ 0 0 6 -4,-1.8 4,-2.3 -7,-0.3 5,-0.2 0.925 111.6 52.0 -69.7 -42.1 3.3 -12.2 24.7 241 103 B S H X S+ 0 0 53 -4,-2.1 4,-1.4 -5,-0.2 -2,-0.2 0.797 112.4 45.5 -62.2 -30.8 3.6 -14.9 27.4 242 104 B S H X S+ 0 0 64 -4,-1.0 4,-1.8 2,-0.2 -1,-0.2 0.903 112.1 48.8 -83.2 -45.6 5.2 -17.4 25.0 243 105 B V H X S+ 0 0 21 -4,-1.8 4,-2.1 1,-0.2 -2,-0.2 0.927 116.0 44.4 -57.1 -47.2 7.7 -15.1 23.4 244 106 B L H X S+ 0 0 5 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.871 108.9 54.8 -71.6 -39.0 8.9 -13.8 26.8 245 107 B A H X S+ 0 0 25 -4,-1.4 4,-2.4 -5,-0.2 5,-0.2 0.901 111.4 46.7 -57.9 -39.7 9.1 -17.3 28.4 246 108 B L H X S+ 0 0 117 -4,-1.8 4,-2.2 2,-0.2 5,-0.2 0.898 109.8 51.7 -73.9 -43.2 11.4 -18.4 25.5 247 109 B V H X S+ 0 0 40 -4,-2.1 4,-1.5 -5,-0.2 -1,-0.2 0.940 113.8 47.7 -51.0 -46.4 13.6 -15.3 25.7 248 110 B G H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.918 112.5 44.1 -69.2 -41.6 13.9 -16.1 29.4 249 111 B K H X>S+ 0 0 65 -4,-2.4 4,-3.6 1,-0.2 5,-0.5 0.932 110.8 55.5 -69.9 -44.0 14.7 -19.8 29.3 250 112 B A H X>S+ 0 0 32 -4,-2.2 4,-2.1 1,-0.2 5,-1.8 0.886 112.6 42.9 -52.7 -38.5 17.1 -19.3 26.5 251 113 B H H <>S+ 0 0 34 -4,-1.5 6,-2.2 3,-0.2 5,-0.6 0.782 115.2 48.1 -80.5 -34.5 19.0 -16.8 28.5 252 114 B A H <5S+ 0 0 5 -4,-2.2 -2,-0.2 4,-0.2 -3,-0.2 0.926 128.0 23.2 -65.4 -47.8 18.8 -18.8 31.7 253 115 B L H <5S+ 0 0 104 -4,-3.6 -2,-0.2 -5,-0.2 -3,-0.2 0.809 133.0 28.9 -96.2 -39.6 20.0 -22.1 30.1 254 116 B K T < - 0 0 103 -2,-0.4 3,-1.6 1,-0.1 4,-0.2 -0.477 29.1-126.2 -63.6 137.3 21.7 -13.7 35.8 259 121 B P T >> S+ 0 0 27 0, 0.0 3,-1.7 0, 0.0 4,-0.7 0.693 101.3 74.1 -66.6 -22.1 18.1 -12.5 35.5 260 122 B V H >> S+ 0 0 27 1,-0.3 4,-2.1 2,-0.2 3,-0.5 0.779 82.4 72.4 -61.3 -25.7 18.7 -9.2 37.3 261 123 B Y H <> S+ 0 0 20 -3,-1.6 4,-2.7 1,-0.3 -1,-0.3 0.773 89.6 60.6 -62.1 -25.4 20.5 -8.0 34.1 262 124 B F H <> S+ 0 0 27 -3,-1.7 4,-2.3 -4,-0.2 -1,-0.3 0.898 104.5 47.3 -62.7 -43.1 17.1 -7.8 32.5 263 125 B K H < + 0 0 27 -4,-2.4 3,-1.1 -5,-0.3 2,-0.9 -0.210 67.2 146.0-117.6 39.3 12.4 10.6 22.1 278 140 B A T 3 S+ 0 0 68 -3,-0.4 -4,-0.1 1,-0.2 -3,-0.0 -0.746 73.9 45.7 -75.2 107.3 11.6 13.4 24.6 279 141 B S T 3 S+ 0 0 125 -2,-0.9 -1,-0.2 0, 0.0 -2,-0.1 -0.299 112.4 49.8 143.0 -44.4 8.6 14.8 22.6 280 142 B D S < S+ 0 0 57 -3,-1.1 -2,-0.2 1,-0.2 -109,-0.1 0.178 99.4 75.9 -97.9 16.5 7.0 11.4 21.9 281 143 B F + 0 0 14 -4,-0.2 -1,-0.2 -7,-0.1 5,-0.0 -0.404 58.5 162.9-130.6 57.5 7.3 10.4 25.6 282 144 B P >> - 0 0 67 0, 0.0 4,-2.2 0, 0.0 3,-1.0 -0.231 56.2 -91.4 -73.2 164.6 4.6 12.1 27.7 283 145 B P H 3> S+ 0 0 66 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.812 124.4 54.2 -47.2 -40.3 3.6 10.9 31.2 284 146 B E H 3> S+ 0 0 123 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.861 111.5 45.7 -68.8 -33.3 0.8 8.6 30.0 285 147 B T H <> S+ 0 0 19 -3,-1.0 4,-3.1 2,-0.2 -1,-0.2 0.873 110.1 54.7 -72.6 -36.4 3.2 6.8 27.6 286 148 B Q H X S+ 0 0 80 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.961 110.3 45.7 -59.5 -50.6 5.9 6.6 30.3 287 149 B R H X S+ 0 0 119 -4,-2.6 4,-1.7 2,-0.2 -2,-0.2 0.919 114.5 48.4 -60.6 -43.3 3.4 4.9 32.6 288 150 B A H X S+ 0 0 0 -4,-1.9 4,-1.9 -5,-0.2 3,-0.2 0.947 112.1 48.4 -59.6 -49.7 2.3 2.5 29.8 289 151 B W H X S+ 0 0 18 -4,-3.1 4,-2.1 1,-0.2 -2,-0.2 0.878 108.4 54.7 -60.0 -38.0 5.9 1.7 28.8 290 152 B A H X S+ 0 0 48 -4,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.835 105.2 54.3 -65.3 -32.4 6.7 1.0 32.5 291 153 B K H X S+ 0 0 113 -4,-1.7 4,-2.3 -3,-0.2 -2,-0.2 0.920 107.5 50.1 -65.7 -40.4 3.8 -1.5 32.6 292 154 B L H X S+ 0 0 5 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.911 108.3 52.9 -61.9 -41.4 5.4 -3.2 29.6 293 155 B R H X S+ 0 0 33 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.927 109.8 47.4 -61.4 -43.5 8.7 -3.3 31.4 294 156 B G H X S+ 0 0 35 -4,-1.9 4,-2.6 2,-0.2 -1,-0.2 0.882 109.8 53.4 -66.6 -39.0 7.2 -5.0 34.5 295 157 B L H X S+ 0 0 37 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.923 110.2 48.9 -56.5 -44.9 5.4 -7.5 32.3 296 158 B I H X S+ 0 0 20 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.920 113.8 44.3 -62.5 -46.8 8.7 -8.3 30.7 297 159 B Y H X S+ 0 0 64 -4,-2.4 4,-2.5 2,-0.2 5,-0.2 0.868 113.3 51.7 -71.9 -35.9 10.5 -8.8 34.0 298 160 B S H X S+ 0 0 74 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.943 113.9 43.1 -57.8 -52.0 7.6 -10.8 35.5 299 161 B H H X S+ 0 0 43 -4,-2.4 4,-1.5 2,-0.2 -2,-0.2 0.813 116.9 46.7 -68.7 -31.2 7.5 -13.2 32.5 300 162 B V H X S+ 0 0 0 -4,-1.9 4,-1.8 -5,-0.2 -2,-0.2 0.927 112.3 49.2 -80.0 -43.0 11.3 -13.5 32.4 301 163 B T H X S+ 0 0 57 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.911 110.3 51.7 -56.2 -45.2 11.7 -14.1 36.1 302 164 B A H X S+ 0 0 61 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.934 107.9 51.8 -63.1 -41.5 9.0 -16.7 36.0 303 165 B A H X S+ 0 0 5 -4,-1.5 4,-0.9 1,-0.2 -1,-0.2 0.852 107.8 52.1 -65.4 -33.7 10.7 -18.6 33.2 304 166 B Y H >< S+ 0 0 6 -4,-1.8 3,-0.5 1,-0.2 5,-0.3 0.914 111.0 47.5 -63.7 -41.9 14.0 -18.6 35.2 305 167 B K H >< S+ 0 0 167 -4,-2.1 3,-0.6 1,-0.2 -2,-0.2 0.795 102.7 63.6 -71.4 -30.3 12.2 -20.1 38.2 306 168 B E H 3< S+ 0 0 126 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.821 110.7 37.9 -60.0 -34.8 10.5 -22.7 36.0 307 169 B V T << S- 0 0 57 -4,-0.9 -1,-0.2 -3,-0.5 -2,-0.2 0.349 115.3-114.0-103.4 0.7 13.9 -24.2 35.1 308 170 B G < 0 0 61 -3,-0.6 -3,-0.2 -4,-0.3 -2,-0.1 0.985 360.0 360.0 64.4 85.1 15.5 -23.7 38.6 309 171 B W 0 0 140 -5,-0.3 -1,-0.2 0, 0.0 -56,-0.0 -0.568 360.0 360.0 -84.9 360.0 18.3 -21.2 38.1