==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXYGEN TRANSPORT 23-APR-82 1LH5 . COMPND 2 MOLECULE: LEGHEMOGLOBIN (FLUORO MET); . SOURCE 2 ORGANISM_SCIENTIFIC: LUPINUS LUTEUS; . AUTHOR B.K.VAINSHTEIN,E.H.HARUTYUNYAN,I.P.KURANOVA,V.V.BORISOV, . 153 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8211.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 119 77.8 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 . 1 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 2 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 96 62.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 0 0 0 0 0 0 0 1 0 0 2 1 0 0 0 0 0 0 0 1 1 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 G 0 0 84 0, 0.0 2,-0.5 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0 -24.4 36.7 48.8 31.6 2 2 A A - 0 0 86 1,-0.2 80,-0.1 5,-0.0 131,-0.0 -0.303 360.0 -78.5 89.9 -57.4 34.7 49.4 28.4 3 3 A L - 0 0 12 -2,-0.5 -1,-0.2 77,-0.0 79,-0.1 0.727 57.4-165.6 111.8 69.0 35.9 46.7 26.0 4 4 A T > - 0 0 57 -3,-0.2 4,-2.5 1,-0.1 5,-0.2 -0.303 38.3-104.4 -78.8 163.3 39.3 47.8 24.6 5 5 A E H > S+ 0 0 156 1,-0.2 4,-1.3 2,-0.2 -1,-0.1 0.866 127.2 52.0 -63.5 -28.2 40.7 46.2 21.7 6 6 A S H > S+ 0 0 64 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.868 106.1 50.5 -78.6 -30.1 42.9 44.6 24.1 7 7 A Q H > S+ 0 0 0 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.911 110.7 50.8 -67.3 -38.1 40.0 43.3 26.4 8 8 A A H X S+ 0 0 4 -4,-2.5 4,-2.2 1,-0.3 5,-0.2 0.870 104.7 57.0 -68.6 -31.3 38.1 41.7 23.4 9 9 A A H X S+ 0 0 61 -4,-1.3 4,-1.7 1,-0.3 -1,-0.3 0.850 104.3 52.9 -69.7 -35.4 41.1 40.0 22.3 10 10 A L H X S+ 0 0 64 -4,-1.4 4,-1.6 2,-0.2 -1,-0.3 0.795 108.0 47.8 -64.9 -43.6 41.2 38.4 25.7 11 11 A V H X S+ 0 0 0 -4,-1.6 4,-2.9 2,-0.2 5,-0.3 0.896 112.7 51.1 -63.8 -36.0 37.5 37.0 25.7 12 12 A K H X S+ 0 0 76 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.940 109.0 48.6 -68.0 -43.9 37.9 35.5 22.2 13 13 A S H X S+ 0 0 58 -4,-1.7 4,-2.0 -5,-0.2 -1,-0.2 0.887 112.5 47.7 -61.2 -46.5 40.9 33.9 23.1 14 14 A S H X S+ 0 0 2 -4,-1.6 4,-2.4 2,-0.2 -2,-0.2 0.874 110.3 52.8 -67.5 -28.2 39.3 32.4 26.3 15 15 A W H X S+ 0 0 36 -4,-2.9 4,-2.6 2,-0.2 5,-0.3 0.918 104.4 55.3 -74.7 -32.3 36.1 31.1 24.4 16 16 A E H X S+ 0 0 97 -4,-2.1 4,-0.9 -5,-0.3 -2,-0.2 0.977 104.9 52.5 -66.3 -43.3 38.2 29.4 21.9 17 17 A E H >< S+ 0 0 59 -4,-2.0 3,-0.9 1,-0.2 -2,-0.2 0.923 109.4 51.2 -56.1 -37.6 39.8 27.7 24.8 18 18 A F H >< S+ 0 0 0 -4,-2.4 3,-2.3 1,-0.3 7,-0.3 0.929 107.5 49.2 -60.2 -48.8 36.1 26.6 26.1 19 19 A N H >< S+ 0 0 76 -4,-2.6 3,-0.7 1,-0.3 -1,-0.3 0.643 89.3 83.5 -70.9 -12.9 34.8 25.1 22.9 20 20 A A T << S+ 0 0 84 -3,-0.9 -1,-0.3 -4,-0.9 -2,-0.2 0.601 105.7 22.9 -68.5 -13.0 37.8 23.2 22.7 21 21 A N T <> + 0 0 57 -3,-2.3 4,-3.0 -4,-0.2 -1,-0.2 -0.346 65.7 165.2-151.2 63.7 36.1 20.7 25.1 22 22 A I H <> S+ 0 0 39 -3,-0.7 4,-2.6 2,-0.2 5,-0.4 0.862 74.3 52.0 -46.9 -52.4 32.4 20.6 25.2 23 23 A P H > S+ 0 0 59 0, 0.0 4,-1.2 0, 0.0 -1,-0.2 0.921 120.0 40.0 -66.1 -32.3 31.5 17.3 27.0 24 24 A K H > S+ 0 0 123 -3,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.943 117.9 41.1 -70.3 -58.2 33.8 18.4 29.8 25 25 A H H X S+ 0 0 23 -4,-3.0 4,-2.4 -7,-0.3 -3,-0.2 0.852 118.1 51.2 -66.9 -32.9 33.2 22.0 30.2 26 26 A T H X S+ 0 0 0 -4,-2.6 4,-2.1 -5,-0.2 -1,-0.2 0.839 109.5 45.6 -71.4 -35.6 29.4 21.4 29.8 27 27 A H H X S+ 0 0 41 -4,-1.2 4,-2.1 -5,-0.4 -2,-0.2 0.956 116.9 50.2 -75.9 -32.1 29.0 18.6 32.4 28 28 A R H X S+ 0 0 79 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.843 104.9 53.7 -64.2 -52.5 31.2 21.0 34.7 29 29 A F H >X S+ 0 0 4 -4,-2.4 4,-2.3 2,-0.2 3,-0.7 0.957 110.4 48.9 -49.5 -52.4 29.1 23.9 34.1 30 30 A F H 3X S+ 0 0 0 -4,-2.1 4,-2.1 1,-0.3 -2,-0.2 0.843 111.4 49.1 -58.4 -34.8 25.9 21.6 35.3 31 31 A I H 3X S+ 0 0 44 -4,-2.1 4,-2.0 2,-0.2 -1,-0.3 0.856 110.0 49.9 -68.5 -42.6 27.6 20.4 38.4 32 32 A L H < - 0 0 27 -4,-2.5 3,-2.1 -5,-0.2 4,-0.2 -0.749 59.9-175.6-150.1 87.3 21.6 25.5 43.8 38 38 A P G > S+ 0 0 98 0, 0.0 3,-1.8 0, 0.0 -4,-0.1 0.828 81.8 66.9 -46.8 -35.6 20.5 21.7 44.0 39 39 A A G > S+ 0 0 80 1,-0.3 3,-1.0 2,-0.1 4,-0.2 0.707 80.5 82.9 -63.2 -22.6 16.8 22.2 43.5 40 40 A A G X S+ 0 0 6 -3,-2.1 3,-1.6 1,-0.2 4,-0.5 0.679 71.2 80.8 -61.8 -11.2 17.6 23.3 40.0 41 41 A K G X S+ 0 0 39 -3,-1.8 3,-1.8 1,-0.3 6,-0.3 0.912 76.7 63.0 -67.9 -37.1 17.7 19.7 38.9 42 42 A D G < S+ 0 0 110 -3,-1.0 -1,-0.3 1,-0.3 -2,-0.1 0.630 96.5 69.2 -58.5 -19.1 13.8 19.1 38.5 43 43 A L G < S+ 0 0 47 -3,-1.6 2,-0.6 -4,-0.2 -1,-0.3 0.650 83.0 72.2 -73.7 -26.8 14.0 21.7 35.7 44 44 A F X> - 0 0 44 -3,-1.8 3,-2.6 -4,-0.5 4,-2.4 -0.819 69.2-151.0-103.1 117.6 15.9 19.9 33.2 45 45 A S T 34 S+ 0 0 61 -2,-0.6 -1,-0.2 1,-0.3 -4,-0.0 0.852 102.7 51.4 -53.8 -36.8 14.0 16.9 31.3 46 46 A F T 34 S+ 0 0 17 1,-0.2 -1,-0.3 -3,-0.1 14,-0.1 0.415 112.8 41.8 -82.4 -6.3 17.2 15.3 30.9 47 47 A L T X4 S+ 0 0 0 -3,-2.6 3,-1.3 -6,-0.3 2,-0.2 0.585 92.3 100.0-103.3 -33.0 18.1 15.5 34.6 48 48 A K T 3< S+ 0 0 121 -4,-2.4 3,-0.1 1,-0.2 -6,-0.1 -0.456 90.9 16.3 -53.4 122.4 14.5 14.6 36.0 49 49 A G T 3 S+ 0 0 84 1,-0.5 -1,-0.2 -2,-0.2 -3,-0.1 0.022 108.4 104.1 102.0 -20.0 14.2 11.0 37.1 50 50 A T < - 0 0 50 -3,-1.3 -1,-0.5 1,-0.1 3,-0.1 -0.133 59.9-156.3 -77.0 174.6 17.9 10.8 37.1 51 51 A S S S+ 0 0 116 1,-0.4 2,-0.3 -3,-0.1 -1,-0.1 0.668 78.3 34.2-112.6 -47.9 20.0 10.8 40.4 52 52 A E S S- 0 0 142 1,-0.0 -1,-0.4 0, 0.0 3,-0.1 -0.762 97.4 -91.1-105.3 155.6 23.4 12.1 38.9 53 53 A V - 0 0 12 -2,-0.3 -6,-0.1 1,-0.1 -22,-0.0 -0.606 48.9-119.2 -68.5 117.3 24.1 14.5 36.1 54 54 A P - 0 0 31 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 -0.049 20.2-157.4 -51.4 142.2 24.4 12.5 32.9 55 55 A Q S S+ 0 0 105 1,-0.1 -28,-0.1 -3,-0.1 -29,-0.1 0.786 82.9 32.5-100.3 -22.9 27.8 12.8 31.3 56 56 A N S S+ 0 0 134 -29,-0.0 -1,-0.1 4,-0.0 3,-0.1 -0.279 75.5 133.0-133.2 55.2 27.1 11.8 27.7 57 57 A N > - 0 0 41 -3,-0.2 4,-2.1 1,-0.2 5,-0.1 -0.883 43.5-156.2-106.3 121.0 23.7 12.9 27.1 58 58 A P H > S+ 0 0 98 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.706 94.5 60.0 -72.1 -21.4 23.6 14.8 23.8 59 59 A E H > S+ 0 0 117 2,-0.2 4,-2.5 1,-0.2 -2,-0.0 0.945 106.9 46.2 -71.1 -46.8 20.6 16.7 24.9 60 60 A L H > S+ 0 0 2 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.915 114.3 47.1 -55.7 -45.1 22.7 18.1 27.8 61 61 A Q H X S+ 0 0 39 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.922 111.1 49.5 -67.9 -40.3 25.8 19.0 25.7 62 62 A A H X S+ 0 0 60 -4,-2.1 4,-1.5 1,-0.2 -1,-0.2 0.889 111.2 50.8 -66.7 -43.7 24.0 20.6 23.0 63 63 A H H X S+ 0 0 65 -4,-2.5 4,-1.5 -5,-0.2 3,-0.3 0.950 112.4 43.5 -54.2 -61.9 22.1 22.6 25.4 64 64 A A H X S+ 0 0 0 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.912 110.2 56.4 -57.7 -34.6 25.3 24.0 27.5 65 65 A G H X S+ 0 0 13 -4,-2.4 4,-2.0 -5,-0.3 -1,-0.2 0.899 103.4 53.2 -65.1 -36.9 27.4 24.8 24.3 66 66 A K H X S+ 0 0 144 -4,-1.5 4,-1.6 -3,-0.3 -1,-0.3 0.806 103.4 59.7 -65.7 -40.3 24.8 27.0 23.0 67 67 A V H X S+ 0 0 39 -4,-1.5 4,-1.9 2,-0.2 3,-0.3 0.976 109.3 39.7 -50.2 -49.8 24.9 28.8 26.4 68 68 A F H X S+ 0 0 0 -4,-2.0 4,-2.4 1,-0.3 -2,-0.2 0.888 110.5 58.5 -74.3 -29.1 28.7 29.9 26.2 69 69 A K H X S+ 0 0 85 -4,-2.0 4,-2.0 1,-0.2 -1,-0.3 0.863 102.7 52.9 -67.7 -38.7 28.6 30.7 22.5 70 70 A L H X S+ 0 0 35 -4,-1.6 4,-1.9 -3,-0.3 -1,-0.2 0.902 106.4 52.7 -65.2 -42.9 26.1 33.1 23.1 71 71 A V H X S+ 0 0 4 -4,-1.9 4,-1.7 1,-0.2 -2,-0.2 0.950 111.5 47.2 -56.6 -39.5 28.2 34.9 25.9 72 72 A Y H X S+ 0 0 30 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.915 107.2 53.6 -69.8 -40.5 31.3 35.3 23.7 73 73 A E H X S+ 0 0 93 -4,-2.0 4,-2.5 1,-0.2 -1,-0.2 0.883 104.5 58.6 -65.4 -33.5 29.5 36.6 20.7 74 74 A A H X S+ 0 0 2 -4,-1.9 4,-2.7 1,-0.2 -1,-0.2 0.861 102.3 52.6 -58.0 -44.4 28.1 39.2 23.0 75 75 A A H X S+ 0 0 0 -4,-1.7 4,-2.1 2,-0.2 -1,-0.2 0.894 110.7 46.0 -64.2 -34.2 31.7 40.5 24.0 76 76 A I H X S+ 0 0 48 -4,-1.7 4,-3.0 2,-0.2 5,-0.3 0.954 108.0 55.0 -76.7 -39.6 32.9 41.0 20.4 77 77 A Q H X>S+ 0 0 67 -4,-2.5 4,-2.7 1,-0.2 5,-0.7 0.937 107.6 52.4 -61.8 -36.5 29.8 42.7 19.5 78 78 A L H X5S+ 0 0 16 -4,-2.7 4,-1.6 4,-0.2 -2,-0.2 0.950 111.6 44.2 -63.3 -36.6 30.5 45.1 22.5 79 79 A E H <5S+ 0 0 57 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.939 121.4 38.5 -77.3 -35.3 34.2 46.0 21.4 80 80 A V H <5S+ 0 0 99 -4,-3.0 -1,-0.2 1,-0.1 -2,-0.2 0.806 135.9 16.2 -71.0 -50.8 33.3 46.5 17.8 81 81 A T H <5S- 0 0 81 -4,-2.7 -3,-0.2 -5,-0.3 -2,-0.2 0.556 93.8-121.7-104.5 -35.5 30.1 48.1 18.0 82 82 A G S < - 0 0 74 -2,-0.5 4,-1.8 1,-0.0 3,-0.1 -0.449 47.8 -77.2-114.2-168.5 17.4 39.0 17.7 88 88 A A H > S+ 0 0 79 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.913 126.2 53.3 -60.0 -35.0 14.6 36.1 17.0 89 89 A T H > S+ 0 0 75 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.909 104.8 49.3 -65.4 -40.4 16.6 33.7 18.8 90 90 A L H > S+ 0 0 11 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.847 110.8 54.3 -73.1 -32.3 16.9 35.6 22.0 91 91 A K H X S+ 0 0 105 -4,-1.8 4,-1.5 2,-0.2 -1,-0.2 0.908 107.9 45.8 -64.4 -39.0 13.3 36.2 21.9 92 92 A N H X S+ 0 0 106 -4,-2.5 4,-2.4 1,-0.3 -2,-0.2 0.897 108.6 62.5 -75.5 -26.6 12.3 32.4 21.6 93 93 A L H X S+ 0 0 40 -4,-2.7 4,-1.7 1,-0.3 -1,-0.3 0.825 96.5 53.1 -62.5 -41.4 14.8 31.9 24.3 94 94 A G H X S+ 0 0 0 -4,-1.4 4,-1.9 2,-0.2 -1,-0.3 0.908 109.4 51.9 -62.9 -38.2 13.0 33.9 26.7 95 95 A S H X S+ 0 0 53 -4,-1.5 4,-2.5 1,-0.2 -2,-0.2 0.943 106.6 50.7 -61.5 -49.3 9.7 31.7 25.9 96 96 A V H X S+ 0 0 54 -4,-2.4 4,-1.3 1,-0.2 -1,-0.2 0.892 107.1 54.8 -63.3 -32.6 11.1 28.5 26.5 97 97 A H H <>S+ 0 0 50 -4,-1.7 5,-2.5 1,-0.2 3,-0.3 0.903 106.9 49.9 -66.9 -41.2 12.6 29.6 29.9 98 98 A V H ><5S+ 0 0 49 -4,-1.9 3,-2.2 1,-0.2 -1,-0.2 0.960 107.9 53.8 -61.7 -42.3 9.3 30.6 31.1 99 99 A S H 3<5S+ 0 0 98 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.777 107.8 54.2 -57.5 -32.4 7.6 27.1 30.1 100 100 A K T 3<5S- 0 0 118 -4,-1.3 -1,-0.3 -3,-0.3 -2,-0.2 0.355 121.4-105.8 -91.6 5.7 10.1 25.4 31.9 101 101 A G T < 5 + 0 0 53 -3,-2.2 2,-0.3 -4,-0.3 -3,-0.2 0.686 64.0 154.0 80.6 23.2 9.6 27.1 35.2 102 102 A V < - 0 0 30 -5,-2.5 2,-0.2 -6,-0.1 -1,-0.2 -0.685 20.1-169.3 -84.3 131.6 13.0 29.5 35.1 103 103 A A > - 0 0 52 -2,-0.3 3,-1.4 0, 0.0 4,-0.4 -0.709 35.4-103.1-114.1 167.2 13.1 32.8 37.1 104 104 A D G > S+ 0 0 69 1,-0.3 3,-0.9 -2,-0.2 42,-0.1 0.718 116.5 63.9 -50.9 -35.0 15.7 36.0 37.2 105 105 A A G 3 S+ 0 0 84 1,-0.3 4,-0.4 2,-0.2 -1,-0.3 0.728 88.9 66.6 -79.0 -8.1 17.2 34.8 40.5 106 106 A H G X> S+ 0 0 64 -3,-1.4 4,-1.4 1,-0.2 3,-0.9 0.728 86.6 74.6 -72.1 -32.9 18.3 31.8 38.7 107 107 A F H <> S+ 0 0 22 -3,-0.9 4,-2.6 -4,-0.4 -1,-0.2 0.849 89.4 51.6 -57.0 -36.0 20.9 34.1 36.6 108 108 A P H 3> S+ 0 0 79 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.810 109.0 59.6 -69.9 -24.4 23.7 34.9 39.2 109 109 A V H <> S+ 0 0 25 -3,-0.9 4,-1.9 -4,-0.4 -2,-0.2 0.945 109.6 36.7 -63.5 -57.3 23.6 31.1 39.6 110 110 A V H X S+ 0 0 35 -4,-1.4 4,-2.5 2,-0.2 -1,-0.2 0.897 116.8 57.2 -67.7 -27.0 24.4 30.4 36.0 111 111 A K H X S+ 0 0 39 -4,-2.6 4,-2.8 2,-0.2 -2,-0.2 0.944 110.1 42.1 -65.9 -51.8 27.0 33.7 36.0 112 112 A E H X S+ 0 0 80 -4,-2.2 4,-3.2 2,-0.2 -1,-0.2 0.904 113.2 53.5 -61.6 -37.9 29.1 32.5 38.8 113 113 A A H X S+ 0 0 0 -4,-1.9 4,-2.0 1,-0.2 -2,-0.2 0.829 112.9 44.0 -69.2 -32.6 29.0 29.0 37.3 114 114 A I H X S+ 0 0 2 -4,-2.5 4,-3.4 2,-0.2 5,-0.2 0.913 116.4 45.7 -76.8 -35.7 30.3 30.5 33.9 115 115 A L H X S+ 0 0 18 -4,-2.8 4,-2.6 2,-0.2 -2,-0.2 0.919 117.1 46.0 -71.5 -44.5 33.1 32.8 35.6 116 116 A K H X S+ 0 0 94 -4,-3.2 4,-2.2 2,-0.2 -2,-0.2 0.938 112.7 48.8 -66.2 -40.0 34.1 30.0 37.7 117 117 A T H X S+ 0 0 2 -4,-2.0 4,-2.8 2,-0.2 -2,-0.2 0.883 115.1 45.2 -61.5 -52.5 34.0 27.7 34.6 118 118 A I H X S+ 0 0 3 -4,-3.4 4,-2.6 2,-0.2 5,-0.4 0.940 110.7 53.1 -67.4 -25.9 36.2 30.3 32.5 119 119 A K H X S+ 0 0 104 -4,-2.6 4,-1.4 1,-0.2 -2,-0.2 0.936 113.9 44.5 -74.5 -33.2 38.7 30.8 35.4 120 120 A E H < S+ 0 0 101 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.862 112.7 49.8 -72.6 -43.8 38.9 27.1 35.3 121 121 A V H < S+ 0 0 19 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.859 119.4 34.6 -61.7 -43.2 39.2 27.0 31.5 122 122 A V H >< S+ 0 0 8 -4,-2.6 3,-1.6 1,-0.2 2,-0.3 0.658 81.3 178.0 -95.5 -17.6 42.2 29.8 31.2 123 123 A G G >< + 0 0 42 -4,-1.4 3,-1.7 -5,-0.4 -1,-0.2 -0.266 61.6 9.9 51.5-125.7 44.1 29.1 34.2 124 124 A A G 3 S+ 0 0 110 1,-0.3 -1,-0.2 -2,-0.3 -2,-0.0 0.559 118.9 69.1 -70.4 -10.3 47.4 31.3 34.8 125 125 A K G < S+ 0 0 124 -3,-1.6 -1,-0.3 2,-0.1 -2,-0.1 0.307 72.8 123.5 -78.2 -3.6 46.5 33.6 32.1 126 126 A W < + 0 0 85 -3,-1.7 2,-0.3 -7,-0.1 3,-0.1 -0.320 38.5 170.9 -65.0 140.5 43.8 34.8 34.2 127 127 A S > - 0 0 41 1,-0.1 4,-2.0 -2,-0.0 5,-0.1 -0.937 49.4-113.8-140.9 164.8 44.0 38.6 34.8 128 128 A E H > S+ 0 0 169 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.847 119.9 60.2 -61.7 -44.9 41.9 41.2 36.3 129 129 A E H > S+ 0 0 84 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.850 108.6 44.7 -53.6 -35.7 41.6 42.6 32.8 130 130 A L H > S+ 0 0 6 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.932 111.6 49.0 -76.2 -41.8 40.0 39.2 31.6 131 131 A N H X S+ 0 0 50 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.881 112.3 52.3 -62.6 -38.2 37.6 38.6 34.5 132 132 A S H X S+ 0 0 34 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.889 107.6 50.8 -67.1 -45.0 36.6 42.1 33.9 133 133 A A H X S+ 0 0 0 -4,-1.8 4,-2.3 -5,-0.2 -2,-0.2 0.947 113.3 41.0 -59.9 -44.0 36.0 41.4 30.3 134 134 A W H X S+ 0 0 2 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.853 114.3 55.9 -73.6 -27.0 33.6 38.1 30.7 135 135 A T H X S+ 0 0 28 -4,-1.9 4,-2.6 -5,-0.2 5,-0.2 0.939 107.6 46.1 -69.4 -44.2 31.8 39.8 33.5 136 136 A I H X S+ 0 0 36 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.891 114.3 47.5 -60.4 -53.6 31.1 42.6 31.3 137 137 A A H X S+ 0 0 0 -4,-2.3 4,-2.2 -5,-0.2 -1,-0.2 0.881 114.7 44.3 -59.0 -37.3 29.9 40.4 28.4 138 138 A Y H X S+ 0 0 18 -4,-2.2 4,-3.0 2,-0.2 5,-0.2 0.955 114.3 49.9 -71.9 -50.1 27.5 38.0 30.6 139 139 A D H X S+ 0 0 56 -4,-2.6 4,-1.6 1,-0.2 -2,-0.2 0.860 112.1 47.6 -55.4 -47.0 26.1 40.8 32.5 140 140 A E H X S+ 0 0 80 -4,-2.3 4,-1.1 -5,-0.2 -1,-0.2 0.882 115.6 44.6 -61.3 -43.7 25.4 42.6 29.2 141 141 A L H X S+ 0 0 10 -4,-2.2 4,-2.4 -5,-0.2 -2,-0.2 0.889 111.8 51.9 -66.4 -40.1 23.8 39.3 27.6 142 142 A A H X S+ 0 0 5 -4,-3.0 4,-2.7 1,-0.2 5,-0.3 0.869 101.8 61.2 -68.0 -30.3 21.6 38.4 30.7 143 143 A I H X S+ 0 0 100 -4,-1.6 4,-1.0 -5,-0.2 -1,-0.2 0.899 106.8 45.6 -60.8 -41.9 20.3 41.8 30.7 144 144 A V H X S+ 0 0 12 -4,-1.1 4,-1.8 2,-0.2 -2,-0.2 0.928 115.1 44.1 -69.6 -41.8 19.0 41.1 27.2 145 145 A I H X S+ 0 0 17 -4,-2.4 4,-2.1 1,-0.3 5,-0.2 0.941 111.0 53.0 -69.7 -41.6 17.4 37.5 27.9 146 146 A K H X S+ 0 0 67 -4,-2.7 4,-1.5 1,-0.3 -1,-0.3 0.770 105.2 56.9 -63.1 -31.5 15.8 38.5 31.2 147 147 A K H X S+ 0 0 111 -4,-1.0 4,-1.9 -5,-0.3 -1,-0.3 0.898 107.3 46.6 -63.4 -48.9 14.3 41.1 29.2 148 148 A E H X S+ 0 0 23 -4,-1.8 4,-1.0 1,-0.2 -2,-0.2 0.808 109.8 53.8 -68.1 -22.1 12.7 38.5 26.8 149 149 A M H X S+ 0 0 5 -4,-2.1 4,-1.0 2,-0.3 -1,-0.2 0.877 104.5 53.2 -75.4 -41.1 11.3 36.2 29.6 150 150 A D H >< S+ 0 0 100 -4,-1.5 3,-0.9 1,-0.2 -2,-0.2 0.942 110.0 49.8 -61.5 -41.5 9.6 38.9 31.2 151 151 A D H 3< S+ 0 0 129 -4,-1.9 -2,-0.3 1,-0.2 -1,-0.2 0.743 109.3 50.4 -65.4 -26.3 8.1 39.5 27.9 152 152 A A H 3< 0 0 40 -4,-1.0 -1,-0.2 1,-0.1 -2,-0.2 0.641 360.0 360.0 -86.5 -12.6 7.1 35.7 27.4 153 153 A A << 0 0 124 -4,-1.0 -1,-0.1 -3,-0.9 -58,-0.0 -0.746 360.0 360.0 -82.6 360.0 5.3 35.3 30.7