==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXYGEN TRANSPORT 19-FEB-97 2VHB . COMPND 2 MOLECULE: HEMOGLOBIN; . SOURCE 2 ORGANISM_SCIENTIFIC: VITREOSCILLA STERCORARIA; . AUTHOR C.TARRICONE,A.GALIZZI,A.CODA,P.ASCENZI,M.BOLOGNESI . 274 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15148.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 229 83.6 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 . 3 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 47 17.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 177 64.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 0 0 0 0 0 2 0 0 0 2 2 4 0 0 0 0 0 0 0 0 0 0 0 0 2 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 2 A L 0 0 71 0, 0.0 112,-0.0 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 114.3 19.3 9.6 61.4 2 3 A D > - 0 0 88 1,-0.1 4,-2.4 139,-0.1 5,-0.1 -0.292 360.0-105.0 -75.2 165.2 16.1 10.9 62.8 3 4 A Q H > S+ 0 0 114 2,-0.2 4,-3.3 1,-0.2 5,-0.2 0.848 118.4 55.8 -59.3 -38.6 15.6 14.6 63.2 4 5 A Q H > S+ 0 0 116 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.889 108.5 49.0 -63.2 -37.0 16.2 14.7 67.0 5 6 A T H > S+ 0 0 7 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.960 112.4 47.9 -63.8 -52.7 19.5 13.0 66.5 6 7 A I H X S+ 0 0 21 -4,-2.4 4,-3.2 1,-0.2 5,-0.2 0.948 111.6 50.4 -57.2 -41.3 20.3 15.5 63.8 7 8 A N H X S+ 0 0 69 -4,-3.3 4,-2.5 1,-0.2 -1,-0.2 0.910 109.6 50.4 -62.6 -43.1 19.3 18.4 66.1 8 9 A I H X S+ 0 0 20 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.954 112.3 48.2 -61.7 -41.2 21.4 17.1 68.9 9 10 A I H X S+ 0 0 0 -4,-2.7 4,-2.1 1,-0.2 3,-0.3 0.957 111.9 47.1 -66.4 -49.7 24.3 16.9 66.6 10 11 A K H < S+ 0 0 95 -4,-3.2 -1,-0.2 1,-0.2 -2,-0.2 0.895 115.2 46.8 -60.0 -35.9 23.9 20.3 65.2 11 12 A A H < S+ 0 0 69 -4,-2.5 4,-0.3 -5,-0.2 -1,-0.2 0.795 118.1 39.5 -71.3 -37.4 23.5 21.8 68.7 12 13 A T H X S+ 0 0 17 -4,-2.0 4,-2.2 -3,-0.3 3,-0.4 0.622 90.1 81.9 -90.9 -20.1 26.4 20.1 70.3 13 14 A V H X S+ 0 0 2 -4,-2.1 4,-3.3 1,-0.2 5,-0.2 0.883 90.8 57.1 -51.9 -41.0 29.2 20.1 67.7 14 15 A P H > S+ 0 0 69 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.898 106.0 48.4 -62.5 -36.3 30.1 23.6 68.7 15 16 A V H > S+ 0 0 70 -3,-0.4 4,-2.1 -4,-0.3 -2,-0.2 0.955 113.1 48.2 -63.8 -49.9 30.7 22.6 72.3 16 17 A L H < S+ 0 0 0 -4,-2.2 7,-0.3 1,-0.2 -1,-0.2 0.934 110.5 51.7 -57.2 -45.4 32.8 19.7 71.2 17 18 A K H >< S+ 0 0 63 -4,-3.3 3,-1.5 1,-0.2 -1,-0.2 0.901 107.0 52.1 -58.7 -39.9 34.8 21.9 68.8 18 19 A E H 3< S+ 0 0 172 -4,-2.1 3,-0.3 1,-0.3 -1,-0.2 0.862 112.9 46.9 -65.0 -33.2 35.5 24.4 71.6 19 20 A H T >X S+ 0 0 86 -4,-2.1 4,-1.9 1,-0.2 3,-1.1 0.311 81.8 125.4 -87.9 14.0 36.7 21.4 73.5 20 21 A G H <> + 0 0 7 -3,-1.5 4,-3.1 1,-0.3 5,-0.3 0.773 63.7 52.9 -39.1 -53.9 38.8 20.2 70.6 21 22 A V H 3> S+ 0 0 110 -3,-0.3 4,-2.3 1,-0.2 5,-0.3 0.921 112.6 47.4 -61.9 -31.7 42.2 19.8 72.1 22 23 A T H <> S+ 0 0 60 -3,-1.1 4,-2.4 2,-0.2 5,-0.3 0.940 111.9 46.2 -74.6 -47.2 40.9 17.8 74.8 23 24 A I H X S+ 0 0 1 -4,-1.9 4,-2.6 -7,-0.3 -1,-0.2 0.949 114.4 50.8 -59.5 -46.8 38.8 15.4 72.8 24 25 A T H X S+ 0 0 11 -4,-3.1 4,-2.4 -5,-0.2 5,-0.3 0.946 113.2 41.3 -56.7 -55.0 41.7 15.0 70.4 25 26 A T H X S+ 0 0 67 -4,-2.3 4,-2.3 -5,-0.3 -1,-0.2 0.901 116.5 49.1 -64.7 -37.9 44.4 14.2 72.9 26 27 A T H X S+ 0 0 24 -4,-2.4 4,-2.7 -5,-0.3 5,-0.3 0.935 110.6 52.8 -68.6 -40.1 42.2 11.9 75.0 27 28 A F H X S+ 0 0 2 -4,-2.6 4,-2.5 -5,-0.3 -2,-0.2 0.969 114.4 38.7 -58.3 -53.7 41.1 10.1 71.9 28 29 A Y H X S+ 0 0 23 -4,-2.4 4,-2.2 1,-0.2 5,-0.3 0.898 114.5 56.3 -67.7 -36.4 44.6 9.3 70.6 29 30 A K H X S+ 0 0 157 -4,-2.3 4,-1.7 -5,-0.3 -1,-0.2 0.943 114.8 35.5 -55.4 -58.2 45.8 8.6 74.1 30 31 A N H X S+ 0 0 27 -4,-2.7 4,-2.5 -5,-0.2 5,-0.3 0.817 112.0 61.6 -69.8 -30.2 43.2 5.9 74.8 31 32 A L H X S+ 0 0 1 -4,-2.5 4,-1.5 -5,-0.3 7,-0.2 0.950 112.4 36.1 -58.7 -54.0 43.2 4.6 71.2 32 33 A F H < S+ 0 0 37 -4,-2.2 -1,-0.2 2,-0.2 -2,-0.2 0.817 118.2 50.4 -74.3 -29.8 46.8 3.6 71.4 33 34 A A H < S+ 0 0 63 -4,-1.7 -2,-0.2 -5,-0.3 -1,-0.2 0.923 120.1 35.0 -71.9 -44.2 46.8 2.5 75.1 34 35 A K H < S+ 0 0 121 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.703 129.6 33.9 -82.5 -20.5 43.7 0.2 74.7 35 36 A H >X + 0 0 27 -4,-1.5 3,-2.4 -5,-0.3 4,-0.5 -0.487 60.1 163.3-138.8 58.6 44.5 -1.0 71.1 36 37 A P G >4 + 0 0 58 0, 0.0 3,-1.1 0, 0.0 -1,-0.1 0.763 67.7 77.1 -50.1 -28.1 48.2 -1.2 70.7 37 38 A E G 34 S+ 0 0 115 1,-0.3 4,-0.2 2,-0.2 -5,-0.1 0.633 92.7 50.2 -59.1 -22.5 47.6 -3.4 67.6 38 39 A V G X> S+ 0 0 7 -3,-2.4 3,-1.3 -7,-0.2 4,-0.9 0.594 86.2 89.7 -91.6 -14.0 46.8 -0.3 65.5 39 40 A R G X< S+ 0 0 128 -3,-1.1 3,-1.0 -4,-0.5 -2,-0.2 0.899 80.4 56.5 -48.4 -46.1 49.8 1.6 66.5 40 41 A P G 34 S+ 0 0 104 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.825 95.7 66.4 -57.3 -33.1 51.9 0.2 63.7 41 42 A L G <4 0 0 65 -3,-1.3 -2,-0.2 1,-0.2 41,-0.1 0.859 360.0 360.0 -61.3 -35.4 49.5 1.5 61.1 42 43 A F << 0 0 131 -3,-1.0 -1,-0.2 -4,-0.9 -3,-0.1 0.869 360.0 360.0 -87.3 360.0 50.3 5.0 62.0 43 ! 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 44 52 A E 0 0 240 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 26.6 55.1 14.1 64.7 45 53 A Q - 0 0 129 1,-0.1 2,-0.1 2,-0.0 0, 0.0 -0.510 360.0 -98.8 -95.8 155.4 51.9 12.4 66.0 46 54 A P + 0 0 38 0, 0.0 -1,-0.1 0, 0.0 -18,-0.1 -0.557 48.9 157.3 -73.7 152.1 48.5 12.0 64.2 47 55 A K + 0 0 116 -2,-0.1 4,-0.4 -19,-0.0 3,-0.2 0.453 44.0 82.7-147.8 -13.1 45.9 14.7 65.2 48 56 A A > + 0 0 63 1,-0.2 4,-2.4 2,-0.1 5,-0.2 0.593 65.3 88.6 -82.1 -17.4 43.2 15.2 62.6 49 57 A L H > S+ 0 0 44 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.922 89.8 37.8 -51.8 -59.8 40.7 12.4 63.3 50 58 A A H > S+ 0 0 0 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.922 117.7 50.1 -65.6 -37.3 38.3 13.8 65.9 51 59 A M H > S+ 0 0 60 -4,-0.4 4,-2.1 1,-0.2 -1,-0.2 0.877 109.9 52.3 -70.9 -33.2 38.2 17.3 64.4 52 60 A T H X S+ 0 0 52 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.899 107.8 50.9 -68.8 -39.9 37.5 15.8 61.0 53 61 A V H X S+ 0 0 11 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.902 110.1 50.4 -63.8 -36.7 34.6 13.8 62.4 54 62 A L H X S+ 0 0 1 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.923 109.9 50.4 -67.0 -38.4 33.2 16.9 63.9 55 63 A A H X S+ 0 0 35 -4,-2.1 4,-1.0 2,-0.2 -1,-0.2 0.895 110.8 48.3 -63.5 -43.4 33.5 18.7 60.6 56 64 A A H < S+ 0 0 3 -4,-2.4 3,-0.5 1,-0.2 -2,-0.2 0.900 110.5 54.1 -64.4 -38.4 31.7 15.8 58.9 57 65 A A H >< S+ 0 0 0 -4,-2.8 3,-1.9 1,-0.3 -2,-0.2 0.880 100.8 56.0 -66.1 -32.5 29.1 16.0 61.6 58 66 A Q H 3< S+ 0 0 78 -4,-2.0 3,-0.3 1,-0.3 -1,-0.3 0.834 115.3 42.3 -66.8 -26.7 28.4 19.7 61.1 59 67 A N T >< S+ 0 0 55 -4,-1.0 3,-1.9 -3,-0.5 -1,-0.3 0.029 76.4 123.9 -96.3 16.9 27.8 18.6 57.5 60 68 A I G X S+ 0 0 16 -3,-1.9 3,-0.6 1,-0.3 -1,-0.2 0.817 70.6 56.6 -56.5 -28.0 25.8 15.6 58.4 61 69 A E G 3 S+ 0 0 123 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.667 119.9 27.5 -79.1 -16.5 22.8 16.8 56.3 62 70 A N G X + 0 0 52 -3,-1.9 3,-1.4 1,-0.1 4,-0.3 -0.433 66.6 165.1-144.8 71.7 24.8 17.1 53.1 63 71 A L G X + 0 0 31 -3,-0.6 3,-1.8 1,-0.3 4,-0.4 0.806 69.9 71.1 -55.6 -33.5 27.7 14.6 53.2 64 72 A P G > S+ 0 0 23 0, 0.0 3,-1.7 0, 0.0 -1,-0.3 0.842 84.9 72.2 -52.9 -34.4 28.4 14.9 49.5 65 73 A A G < S+ 0 0 36 -3,-1.4 -2,-0.2 1,-0.3 199,-0.0 0.818 101.0 42.0 -56.1 -27.1 29.8 18.4 50.2 66 74 A I G X> S+ 0 0 37 -3,-1.8 4,-2.5 -4,-0.3 3,-1.2 0.429 79.7 111.7-105.4 13.2 32.9 17.0 51.9 67 75 A L H <> S+ 0 0 22 -3,-1.7 4,-3.4 -4,-0.4 5,-0.3 0.824 70.8 60.0 -50.1 -42.5 33.6 14.2 49.4 68 76 A P H 3> S+ 0 0 65 0, 0.0 4,-1.1 0, 0.0 -1,-0.3 0.898 111.7 40.2 -61.2 -32.0 36.7 15.8 48.1 69 77 A A H <> S+ 0 0 54 -3,-1.2 4,-2.6 2,-0.2 3,-0.4 0.952 115.7 51.6 -74.6 -51.8 38.2 15.6 51.6 70 78 A V H X S+ 0 0 4 -4,-2.5 4,-3.3 1,-0.2 5,-0.2 0.948 109.2 51.7 -47.6 -48.9 36.7 12.2 52.2 71 79 A K H X S+ 0 0 101 -4,-3.4 4,-1.6 1,-0.2 -1,-0.2 0.864 110.6 45.2 -56.5 -44.4 38.2 10.9 49.0 72 80 A K H X S+ 0 0 145 -4,-1.1 4,-1.3 -3,-0.4 -1,-0.2 0.883 113.9 50.0 -71.2 -37.0 41.7 12.1 49.7 73 81 A I H >X S+ 0 0 50 -4,-2.6 4,-2.7 2,-0.2 3,-0.8 0.966 106.0 57.6 -65.8 -45.1 41.5 10.7 53.3 74 82 A A H 3X S+ 0 0 0 -4,-3.3 4,-3.1 1,-0.3 5,-0.3 0.892 102.4 55.2 -51.1 -41.9 40.3 7.3 51.9 75 83 A V H 3X S+ 0 0 65 -4,-1.6 4,-2.4 -5,-0.2 -1,-0.3 0.907 109.1 46.1 -60.5 -41.4 43.4 7.1 49.8 76 84 A K H S+ 0 0 50 -4,-2.7 5,-2.7 2,-0.2 4,-1.0 0.930 113.1 45.6 -60.6 -44.9 43.5 5.0 54.8 78 86 A C H <5S+ 0 0 25 -4,-3.1 3,-0.4 1,-0.2 -2,-0.2 0.883 112.2 51.6 -70.1 -35.8 43.8 2.4 51.9 79 87 A Q H <5S+ 0 0 162 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.879 112.0 47.7 -65.5 -33.7 47.4 3.1 51.6 80 88 A A H <5S- 0 0 41 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.617 117.3-108.1 -81.6 -17.1 47.8 2.5 55.4 81 89 A G T <5 + 0 0 39 -4,-1.0 2,-0.3 -3,-0.4 -3,-0.2 0.774 52.0 175.4 94.9 27.6 45.8 -0.7 55.5 82 90 A V < - 0 0 23 -5,-2.7 2,-0.3 -8,-0.1 -1,-0.2 -0.568 12.7-156.4 -70.1 132.8 42.8 0.6 57.3 83 91 A A >> - 0 0 42 -2,-0.3 3,-2.3 1,-0.1 4,-0.7 -0.773 28.3-119.3-110.8 154.3 40.0 -1.9 57.7 84 92 A A G >4 S+ 0 0 58 -2,-0.3 3,-1.3 1,-0.3 -1,-0.1 0.873 114.3 59.9 -54.7 -35.0 36.2 -1.7 58.1 85 93 A A G 34 S+ 0 0 79 1,-0.3 4,-0.4 2,-0.2 -1,-0.3 0.600 93.9 65.2 -74.6 -11.2 36.6 -3.6 61.5 86 94 A H G <> S+ 0 0 48 -3,-2.3 4,-2.0 1,-0.1 3,-0.4 0.744 86.1 74.7 -74.3 -28.3 38.9 -0.8 62.8 87 95 A Y H S+ 0 0 86 0, 0.0 4,-2.7 0, 0.0 -1,-0.2 0.884 109.0 51.5 -65.4 -32.6 34.1 0.5 65.7 89 97 A I H > S+ 0 0 30 -4,-0.4 4,-2.0 -3,-0.4 5,-0.2 0.915 111.5 45.8 -69.8 -39.3 37.2 0.7 67.8 90 98 A V H X S+ 0 0 26 -4,-2.0 4,-3.1 1,-0.2 5,-0.2 0.950 113.0 52.3 -66.5 -40.1 37.9 4.3 66.7 91 99 A G H X S+ 0 0 6 -4,-2.8 4,-2.6 -5,-0.2 5,-0.3 0.933 106.4 53.3 -61.5 -45.0 34.2 5.0 67.4 92 100 A Q H X S+ 0 0 113 -4,-2.7 4,-1.7 1,-0.2 -1,-0.2 0.931 113.0 42.0 -57.3 -45.6 34.4 3.5 70.8 93 101 A E H X S+ 0 0 5 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.896 112.7 54.3 -72.9 -32.0 37.4 5.8 71.8 94 102 A L H X S+ 0 0 2 -4,-3.1 4,-2.1 1,-0.2 5,-0.2 0.952 109.8 46.5 -62.7 -47.3 35.9 8.8 70.2 95 103 A L H X S+ 0 0 31 -4,-2.6 4,-2.6 -5,-0.2 -1,-0.2 0.868 107.2 58.1 -62.4 -36.6 32.7 8.5 72.1 96 104 A G H X S+ 0 0 25 -4,-1.7 4,-2.5 -5,-0.3 -1,-0.2 0.962 110.0 45.0 -56.3 -48.1 34.7 7.9 75.3 97 105 A A H X S+ 0 0 0 -4,-2.1 4,-2.9 2,-0.2 -2,-0.2 0.843 112.4 48.9 -62.4 -41.8 36.3 11.3 74.7 98 106 A I H X S+ 0 0 2 -4,-2.1 4,-3.2 2,-0.2 5,-0.2 0.908 110.0 53.6 -68.3 -40.3 33.0 13.2 73.9 99 107 A K H X S+ 0 0 127 -4,-2.6 4,-1.5 -5,-0.2 -2,-0.2 0.971 108.8 49.2 -59.1 -54.4 31.5 11.7 77.0 100 108 A E H >< S+ 0 0 124 -4,-2.5 3,-0.7 1,-0.2 -2,-0.2 0.961 115.0 43.3 -53.4 -49.8 34.4 13.0 79.0 101 109 A V H 3< S+ 0 0 22 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.898 106.1 59.2 -69.5 -33.3 34.1 16.5 77.6 102 110 A L H >< S+ 0 0 14 -4,-3.2 3,-2.9 1,-0.2 -1,-0.2 0.806 78.0 169.5 -61.7 -22.7 30.3 16.7 77.7 103 111 A G G X< S+ 0 0 48 -4,-1.5 3,-1.4 -3,-0.7 -1,-0.2 -0.320 72.1 4.1 52.5-118.0 30.6 16.2 81.5 104 112 A D G 3 S+ 0 0 172 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.611 132.2 59.0 -69.1 -20.3 27.1 16.9 82.8 105 113 A A G < S+ 0 0 48 -3,-2.9 2,-2.8 1,-0.2 -1,-0.3 0.397 75.2 104.3 -89.4 -4.0 25.6 17.4 79.4 106 114 A A < + 0 0 21 -3,-1.4 -1,-0.2 -4,-0.2 -3,-0.1 -0.266 53.2 168.1 -75.6 59.3 26.7 13.8 78.4 107 115 A T > - 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0 0 115 -2,-1.2 2,-0.1 0, 0.0 0, 0.0 -0.924 49.9-103.3-125.4 146.5 18.7 8.3 21.9 186 54 B P + 0 0 35 0, 0.0 -19,-0.1 0, 0.0 -5,-0.0 -0.535 46.6 158.4 -77.6 148.4 19.4 8.6 25.7 187 55 B K + 0 0 120 -2,-0.1 4,-0.4 -20,-0.0 3,-0.2 0.401 47.7 78.3-142.9 -13.5 17.8 5.9 27.8 188 56 B A > + 0 0 62 1,-0.2 4,-2.3 2,-0.1 5,-0.2 0.644 65.3 88.0 -87.3 -10.9 19.6 5.4 31.2 189 57 B L H > S+ 0 0 44 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.915 91.1 41.5 -53.2 -56.8 18.5 8.3 33.4 190 58 B A H > S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.910 117.1 46.3 -63.2 -41.3 15.4 6.9 35.0 191 59 B M H > S+ 0 0 62 -4,-0.4 4,-2.3 1,-0.2 -1,-0.2 0.845 109.2 56.6 -72.2 -29.7 16.7 3.4 35.6 192 60 B T H X S+ 0 0 51 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.917 106.6 48.8 -66.3 -39.0 19.9 4.9 37.0 193 61 B V H X S+ 0 0 10 -4,-1.9 4,-3.0 -5,-0.2 -2,-0.2 0.922 111.1 50.9 -64.7 -41.2 17.8 6.9 39.6 194 62 B L H X S+ 0 0 5 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.902 108.4 51.9 -64.0 -38.0 16.0 3.6 40.4 195 63 B A H X S+ 0 0 43 -4,-2.3 4,-0.7 2,-0.2 -2,-0.2 0.938 110.7 47.9 -63.9 -39.9 19.3 1.9 40.9 196 64 B A H >< S+ 0 0 1 -4,-2.5 3,-1.3 1,-0.2 6,-0.2 0.948 112.7 49.5 -61.3 -47.4 20.4 4.7 43.2 197 65 B A H >< S+ 0 0 0 -4,-3.0 3,-1.8 1,-0.3 -1,-0.2 0.803 98.4 64.4 -62.0 -34.7 17.0 4.4 45.1 198 66 B Q H 3< S+ 0 0 68 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.811 114.5 35.7 -60.4 -24.6 17.4 0.7 45.4 199 67 B N T X< S+ 0 0 61 -3,-1.3 3,-1.5 -4,-0.7 -1,-0.3 -0.248 76.3 140.6-120.3 41.1 20.4 1.7 47.6 200 68 B I T < S+ 0 0 8 -3,-1.8 3,-0.4 1,-0.3 -1,-0.1 0.720 72.1 53.2 -59.7 -23.6 18.9 4.8 49.1 201 69 B E T 3 S+ 0 0 112 1,-0.2 -1,-0.3 -3,-0.2 2,-0.1 0.637 115.9 36.2 -88.1 -17.0 20.6 3.9 52.4 202 70 B N X + 0 0 59 -3,-1.5 3,-1.5 -6,-0.2 4,-0.3 -0.437 63.7 158.9-134.7 68.4 24.1 3.5 51.0 203 71 B L G > S+ 0 0 21 -3,-0.4 3,-1.7 1,-0.3 4,-0.5 0.794 70.4 69.6 -63.5 -27.9 24.5 6.2 48.2 204 72 B P G > S+ 0 0 28 0, 0.0 3,-1.4 0, 0.0 -1,-0.3 0.830 85.3 71.9 -59.9 -24.5 28.3 6.0 48.5 205 73 B A G < S+ 0 0 33 -3,-1.5 -2,-0.2 1,-0.3 4,-0.2 0.808 97.9 47.7 -61.3 -26.8 28.0 2.5 47.0 206 74 B I G X> S+ 0 0 33 -3,-1.7 4,-2.6 -4,-0.3 3,-1.2 0.543 81.3 103.2 -96.7 6.2 27.1 4.1 43.6 207 75 B L H <> S+ 0 0 15 -3,-1.4 4,-3.3 -4,-0.5 5,-0.2 0.815 72.8 59.8 -51.5 -41.2 29.9 6.7 43.6 208 76 B P H 3> S+ 0 0 62 0, 0.0 4,-0.8 0, 0.0 -1,-0.3 0.898 113.5 38.7 -60.0 -36.1 32.0 4.9 41.2 209 77 B A H <> S+ 0 0 56 -3,-1.2 4,-2.3 -4,-0.2 3,-0.4 0.889 115.4 52.1 -74.9 -44.0 29.2 5.1 38.7 210 78 B V H X S+ 0 0 2 -4,-2.6 4,-3.0 1,-0.3 5,-0.2 0.944 105.8 57.0 -56.8 -44.0 28.2 8.7 39.7 211 79 B K H X S+ 0 0 47 -4,-3.3 4,-0.9 1,-0.3 -1,-0.3 0.820 111.1 41.3 -55.5 -40.1 31.8 9.8 39.3 212 80 B K H X S+ 0 0 119 -4,-0.8 4,-1.2 -3,-0.4 -1,-0.3 0.844 112.8 51.5 -76.2 -41.7 31.8 8.6 35.7 213 81 B I H >X S+ 0 0 46 -4,-2.3 4,-2.2 1,-0.2 3,-0.9 0.957 107.4 57.5 -59.3 -46.8 28.4 9.9 34.8 214 82 B A H 3X S+ 0 0 0 -4,-3.0 4,-3.0 1,-0.3 5,-0.3 0.823 99.3 56.5 -49.2 -41.2 29.5 13.3 36.2 215 83 B V H 3X S+ 0 0 78 -4,-0.9 4,-1.7 -5,-0.2 -1,-0.3 0.921 111.1 44.7 -61.0 -41.2 32.5 13.5 33.9 216 84 B K H S+ 0 0 53 -4,-2.2 5,-2.1 2,-0.2 4,-0.9 0.955 111.1 47.2 -67.4 -50.6 27.6 15.7 32.6 218 86 B C H ><5S+ 0 0 23 -4,-3.0 3,-0.6 1,-0.2 -2,-0.2 0.885 111.7 53.0 -60.2 -36.4 30.3 18.3 33.1 219 87 B Q H 3<5S+ 0 0 164 -4,-1.7 -1,-0.2 -5,-0.3 -2,-0.2 0.834 111.0 45.5 -66.4 -33.7 31.4 17.6 29.5 220 88 B A H 3<5S- 0 0 39 -4,-1.4 -1,-0.2 -3,-0.4 -2,-0.2 0.489 119.2-108.5 -82.7 -17.3 27.9 18.3 28.2 221 89 B G T <<5 + 0 0 38 -4,-0.9 2,-0.3 -3,-0.6 -3,-0.2 0.790 50.5 175.9 90.5 33.7 27.4 21.4 30.3 222 90 B V < - 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0 0 59 -2,-2.6 4,-2.6 1,-0.1 5,-0.2 -0.121 41.9-113.7 -62.7 162.5 -0.7 8.2 46.7 248 116 B D H > S+ 0 0 129 1,-0.2 4,-3.4 2,-0.2 5,-0.2 0.936 115.6 50.6 -63.0 -49.1 0.6 11.6 47.9 249 117 B D H > S+ 0 0 105 2,-0.2 4,-3.2 1,-0.2 -1,-0.2 0.880 108.8 52.6 -52.8 -46.0 3.0 10.2 50.3 250 118 B I H > S+ 0 0 30 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.983 112.4 45.1 -58.1 -47.8 4.3 7.9 47.7 251 119 B L H X S+ 0 0 20 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.919 113.4 49.8 -59.9 -42.8 4.9 10.8 45.4 252 120 B D H X S+ 0 0 99 -4,-3.4 4,-2.8 1,-0.2 -1,-0.2 0.932 106.9 54.5 -69.7 -31.9 6.4 12.9 48.1 253 121 B A H X S+ 0 0 2 -4,-3.2 4,-2.7 -5,-0.2 -1,-0.2 0.928 110.0 46.8 -61.1 -46.5 8.7 10.2 49.1 254 122 B W H X S+ 0 0 3 -4,-2.3 4,-2.5 2,-0.2 5,-0.3 0.867 107.9 56.9 -63.5 -37.7 10.0 10.0 45.5 255 123 B G H X S+ 0 0 34 -4,-2.6 4,-2.1 -5,-0.2 -2,-0.2 0.983 111.3 43.4 -58.4 -50.6 10.3 13.7 45.3 256 124 B K H X S+ 0 0 115 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.909 112.3 51.5 -61.0 -44.8 12.6 13.6 48.4 257 125 B A H X S+ 0 0 0 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.915 108.8 50.8 -56.7 -45.1 14.6 10.6 47.2 258 126 B Y H X S+ 0 0 23 -4,-2.5 4,-3.8 1,-0.2 5,-0.3 0.947 107.1 56.6 -61.1 -42.4 15.3 12.2 43.8 259 127 B G H X S+ 0 0 26 -4,-2.1 4,-2.8 1,-0.3 -1,-0.2 0.941 109.0 44.0 -51.7 -53.3 16.4 15.3 45.7 260 128 B V H X S+ 0 0 39 -4,-2.2 4,-1.0 1,-0.2 -1,-0.3 0.811 115.1 48.4 -64.5 -33.2 19.1 13.5 47.7 261 129 B I H >X S+ 0 0 5 -4,-2.0 4,-1.4 -5,-0.2 3,-0.8 0.945 110.3 50.5 -73.4 -44.8 20.2 11.6 44.7 262 130 B A H >X S+ 0 0 6 -4,-3.8 4,-3.0 1,-0.3 3,-0.6 0.926 103.8 62.5 -57.9 -42.1 20.5 14.7 42.5 263 131 B D H 3X S+ 0 0 67 -4,-2.8 4,-2.3 1,-0.3 -1,-0.3 0.806 100.0 52.6 -51.8 -36.9 22.5 16.3 45.4 264 132 B V H X S+ 0 0 88 -4,-3.2 4,-0.8 2,-0.2 3,-0.5 0.939 112.0 45.7 -64.3 -39.8 33.9 22.0 37.3 274 142 B A H >< S+ 0 0 65 -4,-2.4 3,-1.3 -5,-0.3 -2,-0.2 0.957 108.9 55.1 -66.1 -47.1 36.1 23.6 39.9 275 143 B Q H 3< S+ 0 0 155 -4,-2.7 -1,-0.3 1,-0.2 -2,-0.2 0.742 98.1 65.7 -58.3 -26.1 38.9 21.1 39.3 276 144 B A H << 0 0 90 -4,-1.2 -1,-0.2 -3,-0.5 -2,-0.2 0.789 360.0 360.0 -67.3 -24.7 38.8 22.0 35.6 277 145 B V << 0 0 172 -3,-1.3 -2,-0.2 -4,-0.8 -3,-0.1 0.488 360.0 360.0-130.8 360.0 40.0 25.6 36.2