==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL BINDING PROTEIN 28-DEC-07 2ZFB . COMPND 2 MOLECULE: HEMOGLOBIN SUBUNIT ALPHA; . SOURCE 2 ORGANISM_SCIENTIFIC: PSITTACULA KRAMERI; . AUTHOR S.M.JAIMOHAN,M.D.NARESH,A.B.MANDAL . 287 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14955.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 229 79.8 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 . 10 3.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 51 17.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 160 55.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 1 1 1 0 0 1 0 1 0 1 0 2 0 2 1 2 1 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 1 A V 0 0 204 0, 0.0 130,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 25.1 5.9 -18.6 -3.5 2 2 A L - 0 0 32 5,-0.0 122,-0.0 4,-0.0 129,-0.0 0.880 360.0-144.5 90.8 89.2 9.7 -19.1 -2.7 3 3 A S > - 0 0 52 1,-0.1 4,-2.1 4,-0.0 3,-0.0 -0.152 28.4-103.8 -72.4 168.0 11.7 -20.7 -5.5 4 4 A G H > S+ 0 0 55 1,-0.2 4,-2.0 2,-0.2 -1,-0.1 0.743 121.4 55.7 -64.6 -26.2 14.7 -23.1 -4.9 5 5 A T H 4 S+ 0 0 90 2,-0.2 -1,-0.2 1,-0.2 5,-0.1 0.889 106.7 47.0 -77.1 -43.5 17.1 -20.3 -5.8 6 6 A D H > S+ 0 0 17 3,-0.1 4,-1.8 1,-0.1 3,-0.4 0.912 112.4 53.8 -58.4 -44.6 15.7 -17.9 -3.1 7 7 A K H >X S+ 0 0 45 -4,-2.1 2,-3.4 1,-0.3 4,-2.8 0.981 104.3 49.9 -57.8 -62.6 15.8 -20.7 -0.6 8 8 A T H 3< S+ 0 0 111 -4,-2.0 -1,-0.3 1,-0.3 -4,-0.0 -0.325 115.9 48.5 -72.7 64.0 19.5 -21.7 -1.0 9 9 A N H 3> S+ 0 0 41 -2,-3.4 4,-1.4 -3,-0.4 -1,-0.3 0.148 111.1 44.8-174.0 -44.3 20.2 -18.0 -0.6 10 10 A V H > S+ 0 0 47 -5,-0.4 4,-0.8 1,-0.2 3,-0.7 0.899 107.0 45.9 -57.6 -51.6 22.9 -19.0 3.2 13 13 A I H 3X S+ 0 0 11 -4,-1.4 4,-2.0 1,-0.2 3,-0.5 0.861 109.6 56.0 -69.2 -29.0 22.5 -15.5 4.7 14 14 A F H 3< S+ 0 0 20 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.635 104.4 51.8 -78.7 -13.6 21.2 -16.8 8.1 15 15 A S H << S+ 0 0 97 -3,-0.7 -1,-0.2 -4,-0.7 4,-0.2 0.571 113.0 47.3 -91.0 -12.8 24.2 -19.0 8.6 16 16 A K H < S+ 0 0 143 -4,-0.8 -2,-0.2 -3,-0.5 -3,-0.1 0.766 119.7 35.9 -92.0 -32.1 26.4 -16.0 8.1 17 17 A I S >X S+ 0 0 3 -4,-2.0 3,-1.2 1,-0.1 4,-0.9 0.195 92.0 118.5-100.9 18.0 24.4 -13.6 10.4 18 18 A G G >4 S+ 0 0 29 1,-0.3 3,-1.8 2,-0.2 4,-0.3 0.928 71.4 35.4 -49.9 -76.7 23.7 -16.5 12.8 19 19 A G G 34 S+ 0 0 75 1,-0.3 -1,-0.3 -4,-0.2 4,-0.1 0.256 118.2 55.4 -72.2 15.3 25.3 -15.7 16.1 20 20 A Q G <> S+ 0 0 105 -3,-1.2 4,-2.2 2,-0.1 3,-0.4 0.474 74.7 101.0-116.5 -10.3 24.5 -12.0 15.7 21 21 A A H XX S+ 0 0 15 -3,-1.8 4,-1.8 -4,-0.9 3,-0.8 0.885 81.0 52.5 -31.4 -68.2 20.7 -12.5 15.1 22 22 A D H 3> S+ 0 0 77 -4,-0.3 4,-1.9 1,-0.3 3,-0.4 0.836 108.8 46.9 -43.6 -54.0 19.9 -11.5 18.7 23 23 A D H 3> S+ 0 0 110 -3,-0.4 4,-2.4 1,-0.2 -1,-0.3 0.856 111.8 51.6 -61.5 -35.2 21.8 -8.2 18.6 24 24 A Y H < + 0 0 14 -4,-2.5 3,-2.3 -5,-0.4 -1,-0.3 -0.639 68.1 178.0-135.9 76.3 8.3 5.2 13.3 37 37 A P G > S+ 0 0 75 0, 0.0 3,-1.3 0, 0.0 4,-0.2 0.671 74.3 72.4 -59.2 -23.2 7.1 6.5 16.7 38 38 A Q G > S+ 0 0 108 1,-0.3 3,-2.0 2,-0.2 4,-0.3 0.793 79.5 72.0 -60.2 -33.5 3.6 5.2 16.1 39 39 A T G X S+ 0 0 4 -3,-2.3 3,-1.2 -7,-0.3 4,-0.4 0.753 82.8 73.1 -61.2 -20.0 4.8 1.6 16.6 40 40 A K G < S+ 0 0 88 -3,-1.3 -1,-0.3 1,-0.3 3,-0.2 0.617 74.6 80.4 -68.7 -17.0 5.1 2.4 20.3 41 41 A T G < S+ 0 0 112 -3,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.868 93.5 50.5 -49.0 -40.2 1.2 2.4 20.6 42 42 A Y S < S+ 0 0 74 -3,-1.2 3,-0.2 -4,-0.3 -1,-0.2 0.769 108.5 49.9 -77.4 -30.3 1.5 -1.4 20.8 43 43 A F + 0 0 46 -4,-0.4 3,-0.4 -3,-0.2 -1,-0.2 -0.594 61.5 139.5-109.5 70.3 4.2 -1.6 23.5 44 44 A P S S+ 0 0 106 0, 0.0 -1,-0.2 0, 0.0 4,-0.1 0.675 70.2 60.0 -85.0 -15.5 2.8 0.6 26.3 45 45 A H S S+ 0 0 133 -3,-0.2 2,-0.2 2,-0.1 -2,-0.1 0.609 95.1 86.9 -84.9 -10.2 3.9 -1.7 29.1 46 46 A F S S- 0 0 34 -3,-0.4 2,-0.7 -6,-0.1 -3,-0.0 -0.489 82.0-120.5 -87.8 152.9 7.5 -1.4 28.0 47 47 A D - 0 0 78 -2,-0.2 8,-0.5 1,-0.1 7,-0.2 -0.874 34.8-178.5 -82.9 120.1 10.3 1.0 28.9 48 48 A V + 0 0 46 -2,-0.7 3,-0.1 6,-0.1 -1,-0.1 0.413 32.0 125.3-106.9 -0.3 11.0 2.3 25.4 49 49 A S S > S- 0 0 56 1,-0.2 3,-2.6 2,-0.1 6,-0.2 -0.320 79.7 -82.9 -63.9 143.4 13.9 4.7 26.0 50 50 A P T 3 S+ 0 0 114 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 -0.246 120.6 29.0 -47.0 113.6 17.1 4.1 24.0 51 51 A G T 3 S+ 0 0 54 1,-0.2 5,-0.1 -3,-0.1 -2,-0.1 0.070 81.1 156.2 121.7 -27.5 19.0 1.4 25.9 52 52 A S <> - 0 0 6 -3,-2.6 4,-1.4 1,-0.1 -1,-0.2 0.136 39.6-147.1 -43.6 143.9 16.1 -0.5 27.6 53 53 A A H > S+ 0 0 74 2,-0.2 4,-2.3 3,-0.2 -1,-0.1 0.644 101.8 58.9 -86.4 -19.4 16.6 -4.2 28.6 54 54 A Q H > S+ 0 0 81 -7,-0.2 4,-2.9 2,-0.2 5,-0.2 0.938 107.6 47.1 -65.3 -48.8 13.0 -5.0 27.9 55 55 A V H > S+ 0 0 3 -8,-0.5 4,-2.4 2,-0.2 -2,-0.2 0.869 115.1 46.1 -57.5 -41.4 13.8 -3.8 24.3 56 56 A K H X S+ 0 0 134 -4,-1.4 4,-1.2 2,-0.2 -1,-0.2 0.903 114.7 48.0 -63.5 -44.8 16.9 -6.0 24.4 57 57 A A H < S+ 0 0 44 -4,-2.3 4,-0.4 1,-0.2 -2,-0.2 0.814 113.3 47.8 -68.0 -32.1 14.9 -8.8 25.8 58 58 A H H >X S+ 0 0 39 -4,-2.9 3,-1.9 1,-0.2 4,-1.8 0.954 106.6 54.8 -75.3 -45.7 12.2 -8.4 23.2 59 59 A G H 3X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.3 -2,-0.2 0.740 99.1 64.5 -58.2 -28.2 14.6 -8.3 20.2 60 60 A K H 3X S+ 0 0 108 -4,-1.2 4,-1.0 2,-0.2 -1,-0.3 0.727 107.0 41.7 -67.4 -27.5 16.1 -11.6 21.3 61 61 A K H <> S+ 0 0 145 -3,-1.9 4,-1.9 -4,-0.4 -2,-0.2 0.830 109.4 55.7 -91.4 -33.7 12.7 -13.3 20.6 62 62 A V H X S+ 0 0 41 -4,-1.8 4,-1.6 2,-0.2 -2,-0.2 0.930 110.4 47.4 -57.5 -46.3 11.9 -11.5 17.4 63 63 A A H X S+ 0 0 4 -4,-2.2 4,-2.7 2,-0.2 5,-0.3 0.965 106.5 63.2 -52.3 -50.3 15.3 -12.8 16.0 64 64 A G H X S+ 0 0 32 -4,-1.0 4,-2.5 1,-0.2 -2,-0.2 0.853 103.4 43.3 -36.7 -64.4 14.1 -16.1 17.4 65 65 A G H X S+ 0 0 19 -4,-1.9 4,-3.6 2,-0.2 -1,-0.2 0.878 114.5 52.2 -51.0 -45.7 11.1 -16.5 15.1 66 66 A L H X S+ 0 0 21 -4,-1.6 4,-2.2 -3,-0.2 -2,-0.2 0.970 110.4 45.5 -60.0 -57.7 13.2 -15.3 12.2 67 67 A S H X S+ 0 0 39 -4,-2.7 4,-1.4 1,-0.2 -1,-0.2 0.886 117.1 47.9 -49.2 -46.1 16.0 -17.8 12.7 68 68 A E H >X S+ 0 0 93 -4,-2.5 4,-1.1 -5,-0.3 3,-0.6 0.954 106.0 53.6 -62.6 -54.4 13.4 -20.5 13.2 69 69 A A H >< S+ 0 0 0 -4,-3.6 3,-0.5 1,-0.3 -1,-0.2 0.854 108.6 53.7 -52.7 -34.7 11.3 -19.6 10.1 70 70 A A H >< S+ 0 0 5 -4,-2.2 3,-1.0 1,-0.2 -1,-0.3 0.856 102.5 56.5 -67.6 -39.0 14.5 -19.9 8.2 71 71 A N H << S+ 0 0 102 -4,-1.4 -1,-0.2 -3,-0.6 -2,-0.2 0.668 117.8 34.9 -58.8 -23.8 15.2 -23.5 9.6 72 72 A H T X< S+ 0 0 100 -4,-1.1 3,-1.5 -3,-0.5 -1,-0.3 -0.281 71.6 149.4-130.1 48.6 11.8 -24.6 8.2 73 73 A I T < S+ 0 0 12 -3,-1.0 3,-0.3 1,-0.3 -1,-0.1 0.634 72.5 57.3 -63.9 -15.7 11.6 -22.5 5.0 74 74 A D T 3 S+ 0 0 137 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.774 120.3 27.8 -79.6 -29.3 9.5 -25.3 3.4 75 75 A D X> + 0 0 93 -3,-1.5 4,-1.8 -6,-0.2 3,-1.4 -0.305 69.4 152.5-129.2 53.7 6.8 -25.1 6.2 76 76 A I H 3> S+ 0 0 16 -3,-0.3 4,-1.5 1,-0.3 -1,-0.1 0.737 70.7 59.5 -58.4 -25.8 6.9 -21.4 7.5 77 77 A A H 34 S+ 0 0 54 2,-0.2 -1,-0.3 1,-0.2 7,-0.1 0.723 108.4 40.8 -80.1 -25.5 3.2 -21.5 8.6 78 78 A T H X4 S+ 0 0 91 -3,-1.4 3,-0.7 -6,-0.2 4,-0.2 0.798 113.1 57.5 -85.0 -35.4 3.4 -24.5 11.0 79 79 A S H 3< S+ 0 0 37 -4,-1.8 -2,-0.2 1,-0.2 3,-0.2 0.877 120.5 26.9 -56.7 -42.0 6.7 -23.1 12.3 80 80 A L T >X S+ 0 0 11 -4,-1.5 4,-0.9 -5,-0.2 3,-0.8 0.196 84.4 123.5-110.0 14.3 5.2 -19.8 13.3 81 81 A S T <4 S+ 0 0 59 -3,-0.7 4,-0.5 1,-0.3 3,-0.1 0.715 73.1 48.3 -59.5 -29.7 1.6 -20.9 13.9 82 82 A K T >> S+ 0 0 179 -4,-0.2 4,-1.3 -3,-0.2 3,-0.7 0.855 106.2 59.1 -77.7 -31.3 1.2 -19.6 17.5 83 83 A L H <> S+ 0 0 64 -3,-0.8 4,-1.7 1,-0.2 -2,-0.2 0.711 93.3 66.9 -65.2 -24.2 2.6 -16.2 16.6 84 84 A S H 3X>S+ 0 0 5 -4,-0.9 4,-1.5 2,-0.2 5,-0.5 0.791 102.1 46.5 -69.9 -28.1 -0.2 -15.6 14.0 85 85 A D H <>>S+ 0 0 61 -3,-0.7 5,-2.1 -4,-0.5 4,-1.4 0.940 108.1 54.9 -73.7 -52.3 -2.9 -15.4 16.8 86 86 A L H <>S+ 0 0 63 -4,-1.3 5,-2.9 1,-0.2 6,-0.3 0.937 118.3 34.6 -44.6 -52.8 -1.0 -13.2 19.0 87 87 A H H <5S+ 0 0 44 -4,-1.7 6,-2.7 3,-0.2 -1,-0.2 0.844 132.7 24.6 -78.6 -34.5 -0.5 -10.6 16.2 88 88 A A H <5S+ 0 0 4 -4,-1.5 -3,-0.2 4,-0.2 -2,-0.2 0.872 130.4 32.7 -97.3 -50.0 -3.8 -10.9 14.3 89 89 A Q T < - 0 0 88 -2,-0.2 3,-1.4 1,-0.1 4,-0.2 -0.278 26.1-135.5 -47.3 129.3 -2.1 -2.9 11.5 95 95 A P T >> S+ 0 0 66 0, 0.0 3,-2.2 0, 0.0 4,-0.6 0.831 99.7 72.2 -66.9 -31.3 -0.5 -4.9 8.6 96 96 A V H 3> S+ 0 0 71 1,-0.3 4,-1.1 2,-0.2 3,-0.3 0.763 87.3 71.6 -44.9 -25.6 1.4 -1.9 7.2 97 97 A N H <> S+ 0 0 20 -3,-1.4 4,-1.5 1,-0.2 -1,-0.3 0.766 83.1 62.9 -74.3 -23.7 3.5 -2.5 10.3 98 98 A F H <> S+ 0 0 44 -3,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.895 101.6 52.6 -68.0 -38.8 5.2 -5.7 9.1 99 99 A K H X S+ 0 0 110 -4,-0.6 4,-3.0 -3,-0.3 -1,-0.2 0.875 105.7 55.6 -51.2 -47.6 6.9 -3.7 6.3 100 100 A L H X S+ 0 0 17 -4,-1.1 4,-2.1 2,-0.2 -2,-0.2 0.931 110.4 42.3 -62.4 -44.3 8.2 -1.2 8.7 101 101 A L H X S+ 0 0 41 -4,-1.5 4,-2.9 2,-0.2 -1,-0.2 0.922 115.4 49.7 -67.0 -44.8 10.1 -3.7 10.9 102 102 A G H X S+ 0 0 12 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.925 109.5 52.3 -59.4 -46.3 11.4 -5.7 8.0 103 103 A Q H X S+ 0 0 19 -4,-3.0 4,-2.0 1,-0.2 -1,-0.2 0.928 111.7 46.2 -55.0 -45.7 12.6 -2.4 6.4 104 104 A C H X S+ 0 0 0 -4,-2.1 4,-1.7 1,-0.2 -2,-0.2 0.879 108.0 58.0 -64.9 -38.0 14.4 -1.7 9.7 105 105 A F H X S+ 0 0 11 -4,-2.9 4,-1.7 1,-0.2 -2,-0.2 0.876 105.6 47.8 -58.9 -44.6 15.7 -5.2 9.8 106 106 A L H X S+ 0 0 2 -4,-2.2 4,-2.6 2,-0.2 5,-0.2 0.911 106.2 58.9 -59.3 -45.5 17.4 -4.8 6.3 107 107 A V H X S+ 0 0 0 -4,-2.0 4,-1.4 1,-0.2 -2,-0.2 0.900 107.0 48.1 -50.3 -43.7 19.0 -1.4 7.4 108 108 A V H X S+ 0 0 0 -4,-1.7 4,-2.2 2,-0.2 5,-0.2 0.897 110.6 48.0 -68.4 -43.3 20.7 -3.3 10.3 109 109 A V H X S+ 0 0 0 -4,-1.7 4,-2.0 1,-0.2 7,-0.2 0.938 111.9 51.6 -65.6 -38.1 22.1 -6.1 8.2 110 110 A A H < S+ 0 0 3 -4,-2.6 -1,-0.2 2,-0.2 -2,-0.2 0.810 110.4 50.4 -65.1 -29.8 23.4 -3.5 5.7 111 111 A I H < S+ 0 0 12 -4,-1.4 -2,-0.2 -5,-0.2 -1,-0.2 0.975 121.7 28.9 -69.4 -55.2 25.1 -1.6 8.5 112 112 A H H < S+ 0 0 67 -4,-2.2 -2,-0.2 1,-0.2 -3,-0.1 0.553 135.8 26.6 -85.1 -11.7 27.0 -4.6 10.1 113 113 A N >X + 0 0 48 -4,-2.0 3,-2.0 -5,-0.2 4,-1.2 -0.359 62.1 168.4-152.5 64.8 27.4 -6.7 6.9 114 114 A P T 34 S+ 0 0 79 0, 0.0 144,-0.1 0, 0.0 -4,-0.1 0.715 79.7 51.1 -60.9 -26.1 27.5 -4.5 3.7 115 115 A S T 34 S+ 0 0 100 1,-0.2 3,-0.3 143,-0.1 -5,-0.1 0.466 97.8 60.6 -95.8 -8.7 28.7 -7.4 1.6 116 116 A A T <4 S+ 0 0 18 -3,-2.0 2,-1.7 -7,-0.2 5,-0.2 0.858 96.7 68.7 -76.5 -34.1 26.1 -10.1 2.5 117 117 A L < + 0 0 4 -4,-1.2 -1,-0.2 -8,-0.2 141,-0.1 -0.315 67.9 160.7 -88.7 56.7 23.4 -7.8 1.2 118 118 A T > - 0 0 70 -2,-1.7 4,-2.5 -3,-0.3 5,-0.2 -0.166 61.6 -93.2 -55.5 160.0 24.2 -7.8 -2.6 119 119 A P H > S+ 0 0 18 0, 0.0 4,-1.1 0, 0.0 -1,-0.1 0.947 128.0 47.0 -39.1 -55.0 21.4 -6.7 -4.9 120 120 A E H > S+ 0 0 107 2,-0.2 4,-2.4 1,-0.2 3,-0.2 0.879 111.2 47.9 -59.9 -47.6 20.3 -10.5 -5.2 121 121 A A H > S+ 0 0 6 1,-0.2 4,-3.4 2,-0.2 5,-0.4 0.936 107.8 57.9 -55.5 -46.0 20.4 -11.4 -1.5 122 122 A H H X S+ 0 0 2 -4,-2.5 4,-1.5 1,-0.2 -1,-0.2 0.854 108.3 48.0 -51.6 -34.7 18.5 -8.2 -1.0 123 123 A A H X S+ 0 0 8 -4,-1.1 4,-1.8 -3,-0.2 -2,-0.2 0.955 113.4 43.0 -73.7 -52.0 15.9 -9.7 -3.3 124 124 A S H X S+ 0 0 2 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.888 117.0 48.6 -61.3 -38.5 15.7 -13.2 -1.7 125 125 A L H X S+ 0 0 0 -4,-3.4 4,-2.8 1,-0.2 -1,-0.2 0.890 107.3 56.0 -73.7 -35.3 15.6 -11.6 1.8 126 126 A D H X S+ 0 0 32 -4,-1.5 4,-1.1 -5,-0.4 -1,-0.2 0.840 110.9 42.0 -68.7 -35.4 13.0 -9.2 0.8 127 127 A K H < S+ 0 0 93 -4,-1.8 -1,-0.2 2,-0.2 -2,-0.2 0.845 113.4 53.6 -78.9 -30.7 10.6 -11.9 -0.3 128 128 A F H >X S+ 0 0 0 -4,-2.3 3,-1.6 -5,-0.2 4,-1.6 0.944 107.1 53.0 -60.8 -48.5 11.4 -14.1 2.7 129 129 A L H 3X S+ 0 0 22 -4,-2.8 4,-1.6 1,-0.3 -1,-0.2 0.846 112.8 42.4 -55.5 -41.2 10.6 -11.2 5.1 130 130 A C H 3< S+ 0 0 69 -4,-1.1 -1,-0.3 2,-0.2 -2,-0.2 -0.013 107.5 58.4-106.6 32.3 7.2 -10.5 3.7 131 131 A A H <> S+ 0 0 31 -3,-1.6 4,-0.9 3,-0.1 -2,-0.2 0.366 108.1 49.4-105.1 -25.9 6.3 -14.2 3.4 132 132 A V H X S+ 0 0 15 -4,-1.6 4,-1.4 2,-0.2 3,-0.3 0.882 108.5 52.4 -66.9 -42.3 7.0 -14.1 7.2 133 133 A G H < S+ 0 0 6 -4,-1.6 4,-0.2 1,-0.2 -1,-0.2 0.543 106.4 55.7 -71.9 -7.4 4.7 -11.0 7.5 134 134 A L H 4 S+ 0 0 92 2,-0.2 -1,-0.2 -3,-0.1 -2,-0.2 0.752 103.9 50.5 -94.1 -27.9 2.0 -13.0 5.6 135 135 A V H >< S+ 0 0 22 -4,-0.9 3,-0.8 -3,-0.3 4,-0.2 0.861 111.9 50.1 -72.3 -32.6 2.0 -15.9 8.0 136 136 A L T 3< S+ 0 0 19 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.589 116.6 39.3 -84.2 -12.1 1.6 -13.4 10.9 137 137 A T T > S+ 0 0 8 -4,-0.2 3,-1.3 -3,-0.1 -1,-0.2 0.138 85.0 115.7-116.3 16.7 -1.3 -11.5 9.3 138 138 A A G X + 0 0 38 -3,-0.8 3,-2.5 1,-0.3 -2,-0.1 0.838 62.2 61.7 -62.4 -45.4 -2.9 -14.7 8.0 139 139 A K G 3 S+ 0 0 109 1,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 0.566 89.0 71.4 -64.5 -9.7 -6.2 -14.7 9.9 140 140 A Y G < 0 0 90 -3,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.526 360.0 360.0 -75.8 -7.9 -7.2 -11.4 8.3 141 141 A R < 0 0 194 -3,-2.5 -2,-0.2 -4,-0.1 -1,-0.2 -0.049 360.0 360.0-140.2 360.0 -7.7 -13.5 5.1 142 !* 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 0.0 143 1 B V 0 0 102 0, 0.0 2,-0.5 0, 0.0 80,-0.1 0.000 360.0 360.0 360.0 146.9 7.1 19.6 6.4 144 2 B H - 0 0 158 0, 0.0 2,-0.3 0, 0.0 77,-0.0 -0.942 360.0-156.0-102.6 126.2 8.7 21.6 9.3 145 3 B W - 0 0 12 -2,-0.5 2,-0.1 1,-0.0 3,-0.0 -0.787 6.6-135.6-104.7 140.3 12.5 20.8 10.0 146 4 B S > - 0 0 34 -2,-0.3 4,-1.4 1,-0.1 5,-0.1 -0.392 24.6-114.6 -84.8 166.9 14.4 21.3 13.2 147 5 B A H > S+ 0 0 70 1,-0.2 4,-1.1 2,-0.2 3,-0.3 0.944 118.9 47.0 -63.5 -47.5 17.9 22.9 13.5 148 6 B E H > S+ 0 0 146 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.642 107.2 59.6 -72.2 -15.6 19.4 19.6 14.7 149 7 B E H > S+ 0 0 46 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.878 102.1 51.0 -80.9 -44.8 17.6 17.7 11.8 150 8 B K H X S+ 0 0 67 -4,-1.4 4,-2.9 -3,-0.3 5,-0.3 0.748 105.6 59.0 -60.7 -33.0 19.2 19.7 9.0 151 9 B Q H X S+ 0 0 140 -4,-1.1 4,-3.1 2,-0.2 5,-0.3 0.980 106.6 44.1 -62.6 -57.5 22.6 19.0 10.6 152 10 B L H X S+ 0 0 58 -4,-1.3 4,-0.6 1,-0.2 -2,-0.2 0.856 119.7 44.2 -51.6 -41.6 22.3 15.2 10.3 153 11 B I H X S+ 0 0 0 -4,-1.6 4,-2.2 2,-0.2 3,-0.5 0.966 119.9 38.0 -71.6 -51.8 20.9 15.6 6.8 154 12 B T H X S+ 0 0 74 -4,-2.9 4,-1.5 1,-0.2 -2,-0.2 0.874 112.3 56.0 -69.5 -43.3 23.4 18.2 5.5 155 13 B G H < S+ 0 0 34 -4,-3.1 -1,-0.2 -5,-0.3 -2,-0.2 0.746 113.3 43.4 -58.6 -25.4 26.5 16.8 7.3 156 14 B L H >< S+ 0 0 11 -4,-0.6 3,-1.6 -3,-0.5 4,-0.5 0.816 105.1 58.2 -96.6 -44.1 25.8 13.3 5.6 157 15 B W H >< S+ 0 0 52 -4,-2.2 3,-1.5 1,-0.2 -2,-0.2 0.874 96.1 71.0 -45.2 -39.1 25.0 14.6 2.1 158 16 B G T 3< S+ 0 0 66 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.745 103.4 38.1 -55.5 -27.3 28.5 16.1 2.3 159 17 B K T < S+ 0 0 154 -3,-1.6 2,-0.3 -4,-0.1 -1,-0.3 0.445 87.7 118.6-108.6 1.5 30.2 12.7 2.1 160 18 B V < - 0 0 21 -3,-1.5 2,-0.9 -4,-0.5 3,-0.1 -0.517 55.9-141.1 -81.5 130.2 28.0 10.8 -0.5 161 19 B N > - 0 0 76 -2,-0.3 4,-2.1 1,-0.2 5,-0.4 -0.772 16.5-167.7 -84.4 104.3 29.3 9.5 -3.8 162 20 B V H > S+ 0 0 39 -2,-0.9 4,-2.2 1,-0.2 5,-0.2 0.846 82.8 51.1 -69.0 -32.8 26.4 10.1 -6.2 163 21 B A H > S+ 0 0 54 2,-0.2 4,-1.3 3,-0.2 -1,-0.2 0.911 113.2 45.4 -70.9 -41.0 27.7 8.0 -9.0 164 22 B E H >> S+ 0 0 120 2,-0.2 4,-1.2 1,-0.1 3,-0.7 0.998 122.2 34.1 -62.4 -66.1 28.2 5.0 -6.8 165 23 B C H 3X S+ 0 0 4 -4,-2.1 4,-3.1 1,-0.2 3,-0.4 0.856 109.7 64.9 -56.2 -46.1 24.9 5.1 -4.9 166 24 B G H 3X S+ 0 0 1 -4,-2.2 4,-1.8 -5,-0.4 -1,-0.2 0.906 107.9 42.3 -42.3 -49.5 22.9 6.4 -7.9 167 25 B A H < S- 0 0 34 -4,-2.4 3,-3.0 -5,-0.4 4,-0.3 -0.564 72.5-177.7-121.3 75.4 10.7 -4.9 -7.9 178 36 B P G > S+ 0 0 73 0, 0.0 3,-1.0 0, 0.0 4,-0.2 0.575 74.5 69.1 -57.1 -15.5 10.8 -6.4 -11.4 179 37 B W G > S+ 0 0 130 1,-0.2 3,-1.0 2,-0.2 4,-0.3 0.716 83.9 70.4 -71.8 -24.8 7.6 -4.6 -12.6 180 38 B T G X S+ 0 0 7 -3,-3.0 3,-0.9 -7,-0.3 4,-0.3 0.727 82.9 81.5 -59.5 -18.9 9.4 -1.2 -12.4 181 39 B Q G X S+ 0 0 50 -3,-1.0 3,-1.9 -4,-0.3 -1,-0.2 0.824 75.1 65.8 -55.9 -40.3 11.2 -2.6 -15.4 182 40 B R G X S+ 0 0 177 -3,-1.0 3,-0.7 1,-0.3 -1,-0.2 0.821 91.8 62.9 -61.4 -28.5 8.6 -1.8 -18.0 183 41 B F G < S+ 0 0 69 -3,-0.9 -1,-0.3 -4,-0.3 3,-0.2 0.730 103.6 50.2 -62.8 -21.7 9.1 1.9 -17.6 184 42 B F G X + 0 0 40 -3,-1.9 3,-1.2 -4,-0.3 -1,-0.2 -0.314 65.4 127.6-115.3 45.4 12.7 1.7 -18.8 185 43 B T G X + 0 0 107 -3,-0.7 3,-1.5 1,-0.3 -1,-0.2 0.868 63.5 69.8 -80.1 -35.1 12.4 -0.3 -22.1 186 44 B S G 3 S+ 0 0 114 1,-0.3 -1,-0.3 -3,-0.2 3,-0.1 0.606 85.6 75.8 -47.6 -15.0 14.3 2.2 -24.1 187 45 B F G < S- 0 0 32 -3,-1.2 -1,-0.3 1,-0.3 14,-0.2 0.231 99.2-129.6 -87.2 11.5 17.4 1.0 -22.1 188 46 B G < + 0 0 50 -3,-1.5 -1,-0.3 13,-0.1 11,-0.0 -0.248 68.3 16.6 63.0-159.4 17.7 -2.3 -24.1 189 47 B N + 0 0 109 -3,-0.1 2,-0.1 1,-0.1 3,-0.0 -0.111 57.8 147.3 -61.9 125.5 17.9 -5.6 -22.1 190 48 B L + 0 0 12 1,-0.0 5,-0.1 5,-0.0 -1,-0.1 -0.038 32.7 106.2-110.5-134.5 17.0 -5.8 -18.5 191 49 B S S S+ 0 0 83 -2,-0.1 2,-0.3 -13,-0.1 3,-0.1 0.182 74.5 59.3 89.3 -26.0 15.4 -9.3 -17.4 192 50 B S S > S- 0 0 50 1,-0.1 4,-2.4 -3,-0.0 3,-0.4 -0.990 82.1-121.9-139.9 137.9 18.4 -10.7 -15.4 193 51 B A H > S+ 0 0 26 -2,-0.3 4,-2.0 1,-0.2 5,-0.1 0.866 115.4 46.3 -36.8 -50.6 20.3 -9.4 -12.4 194 52 B S H > S+ 0 0 93 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.893 108.4 54.7 -72.2 -34.1 23.6 -9.3 -14.3 195 53 B A H 4 S+ 0 0 26 -3,-0.4 4,-0.2 1,-0.2 -2,-0.2 0.971 110.3 48.2 -54.7 -52.2 22.0 -7.6 -17.4 196 54 B V H >< S+ 0 0 0 -4,-2.4 3,-1.0 1,-0.2 -2,-0.2 0.873 111.4 50.5 -53.0 -46.1 20.8 -4.8 -15.0 197 55 B L H 3< S+ 0 0 65 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.2 0.888 111.5 45.6 -64.7 -42.2 24.2 -4.5 -13.4 198 56 B G T 3< S+ 0 0 64 -4,-2.2 -1,-0.2 -3,-0.2 -2,-0.2 0.176 83.8 114.8 -93.9 17.7 26.2 -4.2 -16.6 199 57 B N X> - 0 0 16 -3,-1.0 4,-1.3 -4,-0.2 3,-0.6 -0.786 55.0-153.8 -89.3 119.1 23.9 -1.7 -18.4 200 58 B P H 3> S+ 0 0 95 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.817 94.6 58.9 -61.4 -29.2 25.5 1.8 -19.0 201 59 B N H 3> S+ 0 0 70 2,-0.2 4,-3.6 -14,-0.2 5,-0.4 0.878 100.1 56.7 -64.4 -37.5 22.1 3.5 -19.0 202 60 B V H <> S+ 0 0 1 -3,-0.6 4,-2.4 1,-0.2 -1,-0.2 0.922 109.3 45.3 -64.8 -41.9 21.4 2.2 -15.5 203 61 B R H X S+ 0 0 136 -4,-1.3 4,-2.0 2,-0.2 -1,-0.2 0.941 117.4 44.1 -62.2 -48.9 24.6 3.9 -14.2 204 62 B A H X S+ 0 0 66 -4,-2.2 4,-1.1 2,-0.2 -2,-0.2 0.936 118.2 42.4 -66.6 -48.0 23.9 7.2 -16.1 205 63 B H H >X S+ 0 0 62 -4,-3.6 4,-2.2 1,-0.2 3,-1.0 0.954 111.5 56.8 -60.0 -50.9 20.2 7.4 -15.2 206 64 B G H 3X S+ 0 0 0 -4,-2.4 4,-2.0 -5,-0.4 -2,-0.2 0.864 104.9 51.3 -45.2 -49.3 20.9 6.3 -11.6 207 65 B K H 3X S+ 0 0 106 -4,-2.0 4,-2.2 2,-0.2 -1,-0.3 0.795 108.6 52.0 -60.3 -33.0 23.3 9.3 -11.1 208 66 B K H X S+ 0 0 31 -4,-1.6 4,-0.8 -3,-0.3 3,-0.6 0.968 100.5 50.0 -58.9 -58.8 17.8 15.2 -8.0 213 71 B F H >X S+ 0 0 20 -4,-1.5 4,-1.8 1,-0.2 3,-0.5 0.774 101.4 69.5 -43.9 -31.8 17.6 14.3 -4.3 214 72 B G H >X S+ 0 0 4 -4,-1.8 4,-1.8 1,-0.2 3,-0.6 0.985 90.9 55.7 -49.2 -61.6 20.5 16.7 -4.2 215 73 B E H < + 0 0 68 -4,-2.0 3,-2.4 -5,-0.2 2,-1.8 0.537 68.9 163.3 -87.2 -6.4 16.3 23.8 -0.7 220 78 B L T 3< S+ 0 0 8 -4,-1.8 3,-0.4 1,-0.3 -1,-0.2 0.150 78.0 42.6 3.7 -47.2 15.0 22.0 2.5 221 79 B D T 3 S+ 0 0 132 -2,-1.8 2,-0.5 1,-0.2 -1,-0.3 0.796 112.2 53.7 -74.2 -29.7 12.1 24.5 3.0 222 80 B N < + 0 0 72 -3,-2.4 4,-0.3 1,-0.2 -1,-0.2 -0.344 63.0 140.3-103.3 49.9 11.1 24.8 -0.7 223 81 B I > + 0 0 6 -2,-0.5 4,-0.6 -3,-0.4 3,-0.3 0.895 65.2 53.9 -75.1 -38.0 10.6 21.0 -1.6 224 82 B K T 4 S+ 0 0 50 -3,-0.2 2,-2.2 2,-0.2 58,-0.1 -0.102 103.7 41.8 -63.1-178.3 7.5 21.6 -3.8 225 83 B N T 4 S+ 0 0 115 1,-0.3 4,-0.2 57,-0.1 -1,-0.2 0.224 110.6 65.0 63.4 -26.5 8.0 24.1 -6.6 226 84 B T T 4 S+ 0 0 44 -2,-2.2 -1,-0.3 -3,-0.3 4,-0.2 0.702 108.7 34.2 -97.1 -25.6 11.3 22.4 -7.0 227 85 B F S X S+ 0 0 4 -4,-0.6 4,-2.5 55,-0.1 5,-0.2 0.338 90.4 103.7-104.6 6.0 9.8 19.1 -8.1 228 86 B A H > S+ 0 0 29 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.908 85.1 40.2 -54.0 -54.2 6.8 20.6 -10.0 229 87 B Q H > S+ 0 0 160 -4,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.952 116.8 51.6 -63.4 -46.5 8.1 20.1 -13.5 230 88 B L H > S+ 0 0 60 -4,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.812 106.8 55.2 -55.6 -36.4 9.5 16.6 -12.5 231 89 B S H X S+ 0 0 1 -4,-2.5 4,-3.1 2,-0.2 5,-0.4 0.948 104.6 51.8 -61.2 -52.7 6.0 15.8 -11.1 232 90 B E H X>S+ 0 0 89 -4,-2.0 4,-1.2 1,-0.2 5,-1.0 0.884 111.7 49.2 -47.8 -43.1 4.2 16.6 -14.4 233 91 B L H X>S+ 0 0 66 -4,-1.5 5,-2.0 3,-0.2 4,-0.7 0.943 115.5 39.4 -68.5 -51.6 6.7 14.2 -16.2 234 92 B H H <>S+ 0 0 51 -4,-2.3 6,-1.9 3,-0.2 5,-1.1 0.912 129.6 31.7 -65.3 -42.9 6.4 11.2 -13.8 235 93 B C H X5S+ 0 0 3 -4,-3.1 4,-0.6 4,-0.2 -3,-0.2 0.988 126.7 32.8 -78.2 -68.1 2.6 11.7 -13.5 236 94 B D H <5S+ 0 0 93 -4,-1.2 -3,-0.2 -5,-0.4 -2,-0.1 0.800 130.6 26.4 -61.6 -42.4 1.2 13.2 -16.8 237 95 B K T < - 0 0 99 -2,-0.6 3,-1.9 1,-0.1 4,-0.3 -0.483 20.5-125.4 -61.9 129.0 2.0 5.0 -9.7 242 100 B P T >> S+ 0 0 44 0, 0.0 3,-1.9 0, 0.0 4,-1.0 0.697 101.8 75.4 -49.7 -31.7 3.2 7.1 -6.6 243 101 B E H 3> S+ 0 0 96 1,-0.3 4,-1.9 2,-0.2 3,-0.1 0.765 89.0 59.9 -56.8 -29.5 3.6 3.9 -4.4 244 102 B N H <> S+ 0 0 21 -3,-1.9 4,-2.5 2,-0.2 -1,-0.3 0.746 94.8 63.3 -69.1 -25.9 6.9 3.2 -6.4 245 103 B F H <> S+ 0 0 23 -3,-1.9 4,-1.5 -4,-0.3 -1,-0.2 0.873 103.9 48.0 -66.9 -36.3 8.2 6.6 -5.2 246 104 B R H >X S+ 0 0 73 -4,-1.0 4,-2.5 2,-0.2 3,-0.7 0.975 107.6 54.6 -63.4 -52.0 8.1 5.1 -1.8 247 105 B L H 3X S+ 0 0 14 -4,-1.9 4,-2.1 1,-0.3 -2,-0.2 0.906 109.1 48.8 -48.7 -43.4 9.8 1.9 -2.9 248 106 B L H 3X S+ 0 0 34 -4,-2.5 4,-1.6 2,-0.2 -1,-0.3 0.850 110.1 52.1 -66.3 -31.8 12.7 4.0 -4.3 249 107 B G H < S- 0 0 40 -4,-1.8 3,-1.8 -5,-0.2 2,-0.2 0.527 83.8-173.7-105.6 -9.4 28.0 4.6 5.9 261 119 B G G >< + 0 0 15 -4,-1.1 3,-0.9 1,-0.3 -1,-0.2 -0.287 69.9 4.8 55.0-112.9 28.0 1.7 8.5 262 120 B K G 3 S+ 0 0 174 1,-0.2 -1,-0.3 -2,-0.2 -151,-0.1 0.692 120.0 72.2 -81.2 -16.2 27.9 2.9 12.1 263 121 B D G < S+ 0 0 125 -3,-1.8 2,-1.3 1,-0.2 -1,-0.2 0.548 75.3 84.9 -79.5 -7.5 27.5 6.5 11.2 264 122 B F S < S- 0 0 0 -3,-0.9 -1,-0.2 -7,-0.2 -3,-0.1 -0.562 73.1-177.8 -86.5 66.7 24.0 5.9 10.1 265 123 B T > - 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