==== 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 1LH3 . COMPND 2 MOLECULE: LEGHEMOGLOBIN (CYANO 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) . 8170.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 120 78.4 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 2.0 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 . 97 63.4 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 81 0, 0.0 2,-0.7 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 -21.2 36.8 48.9 31.5 2 2 A A - 0 0 82 1,-0.2 80,-0.1 5,-0.1 0, 0.0 -0.328 360.0 -81.4 86.8 -55.8 34.8 49.4 28.3 3 3 A L - 0 0 12 -2,-0.7 -1,-0.2 77,-0.0 2,-0.1 0.733 56.9-165.8 103.6 74.9 36.0 46.7 26.1 4 4 A T > - 0 0 57 -3,-0.3 4,-2.7 1,-0.1 5,-0.2 -0.314 40.3-100.9 -76.2 165.5 39.3 48.0 24.6 5 5 A E H > S+ 0 0 156 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.867 129.4 53.3 -61.6 -30.9 40.8 46.3 21.7 6 6 A S H > S+ 0 0 65 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.922 106.0 50.1 -73.9 -35.8 42.9 44.7 24.2 7 7 A Q H > S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.905 111.1 50.2 -65.8 -35.9 40.0 43.4 26.4 8 8 A A H X S+ 0 0 4 -4,-2.7 4,-2.6 1,-0.3 -1,-0.2 0.886 104.5 56.6 -70.1 -36.0 38.2 41.9 23.4 9 9 A A H X S+ 0 0 60 -4,-1.6 4,-2.1 -5,-0.2 -1,-0.3 0.878 104.9 53.4 -65.4 -35.3 41.2 40.2 22.3 10 10 A L H X S+ 0 0 62 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.877 108.7 47.4 -65.0 -41.5 41.2 38.6 25.8 11 11 A V H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 5,-0.2 0.933 112.5 49.8 -66.1 -37.8 37.5 37.2 25.6 12 12 A K H X S+ 0 0 80 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.942 109.3 50.5 -66.8 -46.5 38.0 35.7 22.1 13 13 A S H X S+ 0 0 59 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.896 112.0 46.4 -56.5 -46.1 41.0 34.1 23.1 14 14 A S H X S+ 0 0 2 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.889 110.7 54.2 -69.1 -25.2 39.3 32.5 26.3 15 15 A W H X S+ 0 0 35 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.908 103.8 53.6 -75.9 -34.0 36.2 31.3 24.3 16 16 A E H X S+ 0 0 98 -4,-2.2 4,-0.7 1,-0.2 3,-0.3 0.963 105.1 55.1 -66.2 -42.4 38.2 29.6 21.9 17 17 A E H >< S+ 0 0 61 -4,-2.0 3,-0.9 1,-0.2 -2,-0.2 0.899 108.1 49.6 -52.5 -41.9 39.7 27.9 24.9 18 18 A F H >< S+ 0 0 0 -4,-2.3 3,-2.4 1,-0.2 7,-0.3 0.916 107.1 51.5 -61.2 -43.7 36.1 26.7 26.1 19 19 A N H >< S+ 0 0 77 -4,-2.4 3,-0.6 1,-0.3 -1,-0.2 0.635 88.8 81.8 -76.6 -8.6 34.8 25.2 22.9 20 20 A A T << S+ 0 0 84 -3,-0.9 -1,-0.3 -4,-0.7 -2,-0.2 0.598 105.7 24.3 -70.2 -16.8 37.8 23.3 22.7 21 21 A N T <> + 0 0 55 -3,-2.4 4,-3.1 -4,-0.2 5,-0.3 -0.367 65.2 162.5-147.4 65.1 36.1 20.8 25.2 22 22 A I H <> S+ 0 0 38 -3,-0.6 4,-2.5 2,-0.2 5,-0.4 0.879 73.7 52.6 -52.4 -48.8 32.4 20.7 25.2 23 23 A P H > S+ 0 0 61 0, 0.0 4,-1.1 0, 0.0 -1,-0.2 0.914 120.9 37.8 -65.2 -32.1 31.5 17.4 26.9 24 24 A K H > S+ 0 0 123 2,-0.2 4,-2.3 -3,-0.2 -2,-0.2 0.956 118.4 42.7 -75.1 -59.5 33.8 18.4 29.8 25 25 A H H X S+ 0 0 25 -4,-3.1 4,-2.1 -7,-0.3 -3,-0.2 0.813 117.3 51.1 -62.9 -32.7 33.2 22.1 30.2 26 26 A T H X S+ 0 0 0 -4,-2.5 4,-1.8 -5,-0.3 -1,-0.2 0.831 109.8 44.7 -73.3 -32.5 29.4 21.5 29.7 27 27 A H H X S+ 0 0 41 -4,-1.1 4,-2.1 -5,-0.4 -2,-0.2 0.934 116.6 52.0 -79.1 -34.0 28.9 18.8 32.4 28 28 A R H X S+ 0 0 81 -4,-2.3 4,-2.5 1,-0.2 5,-0.2 0.887 103.4 54.0 -64.5 -48.6 31.1 21.0 34.7 29 29 A F H X S+ 0 0 4 -4,-2.1 4,-2.4 2,-0.2 3,-0.3 0.936 110.3 48.0 -47.3 -55.7 29.1 23.9 34.1 30 30 A F H X S+ 0 0 0 -4,-1.8 4,-2.1 1,-0.3 -2,-0.2 0.798 112.0 50.0 -60.1 -30.2 25.8 21.7 35.3 31 31 A I H X S+ 0 0 44 -4,-2.1 4,-2.2 2,-0.2 -1,-0.3 0.908 109.7 48.8 -71.1 -44.9 27.6 20.5 38.3 32 32 A L H X S+ 0 0 6 -4,-2.5 4,-1.1 -3,-0.3 -2,-0.2 0.865 112.5 52.8 -69.4 -30.4 28.6 24.2 39.3 33 33 A V H >X S+ 0 0 2 -4,-2.4 4,-2.2 -5,-0.2 3,-0.7 0.955 108.8 43.3 -56.2 -58.9 25.1 24.9 38.7 34 34 A L H 3< S+ 0 0 34 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.786 113.5 59.2 -66.9 -23.2 23.6 22.2 41.1 35 35 A E H 3< S+ 0 0 125 -4,-2.2 -1,-0.2 2,-0.2 -2,-0.2 0.753 109.2 38.7 -65.1 -40.7 26.4 23.3 43.6 36 36 A I H << S+ 0 0 74 -4,-1.1 -2,-0.2 -3,-0.7 -1,-0.2 0.843 142.3 6.5 -83.7 -34.4 25.3 26.8 43.9 37 37 A A >< - 0 0 28 -4,-2.2 3,-2.1 -5,-0.2 -2,-0.2 -0.699 58.4-174.6-157.2 89.2 21.5 25.5 43.8 38 38 A P G > S+ 0 0 98 0, 0.0 3,-2.0 0, 0.0 4,-0.2 0.830 81.4 68.2 -46.7 -40.8 20.4 21.8 44.0 39 39 A A G > S+ 0 0 81 1,-0.3 3,-0.9 2,-0.1 4,-0.2 0.666 80.1 81.7 -54.9 -24.2 16.7 22.3 43.5 40 40 A A G X> S+ 0 0 7 -3,-2.1 3,-1.4 1,-0.2 4,-0.5 0.576 71.8 81.9 -63.4 -11.5 17.4 23.4 39.9 41 41 A K G X4 S+ 0 0 36 -3,-2.0 3,-1.4 1,-0.3 6,-0.3 0.918 77.4 61.9 -66.6 -38.8 17.6 19.8 38.8 42 42 A D G <4 S+ 0 0 108 -3,-0.9 -1,-0.3 1,-0.3 -2,-0.1 0.618 96.7 68.8 -55.6 -21.3 13.8 19.2 38.5 43 43 A L G <4 S+ 0 0 44 -3,-1.4 2,-0.5 -4,-0.2 -1,-0.3 0.707 83.1 71.9 -75.0 -30.7 13.9 21.9 35.7 44 44 A F S XX S- 0 0 43 -3,-1.4 3,-2.2 -4,-0.5 4,-2.1 -0.760 70.2-148.3 -97.3 129.2 15.8 20.2 33.1 45 45 A S T 34 S+ 0 0 59 -2,-0.5 -1,-0.1 1,-0.3 -4,-0.0 0.827 103.9 51.1 -64.1 -33.5 14.0 17.2 31.1 46 46 A F T 34 S+ 0 0 19 1,-0.2 -1,-0.3 -3,-0.1 14,-0.1 0.451 111.5 45.6 -85.9 -4.5 17.1 15.5 30.7 47 47 A L T X4 S+ 0 0 0 -3,-2.2 3,-1.2 -6,-0.3 -2,-0.2 0.643 89.1 101.8 -99.4 -29.1 17.9 15.8 34.5 48 48 A K T 3< S+ 0 0 122 -4,-2.1 3,-0.1 1,-0.2 -6,-0.1 -0.428 90.7 12.7 -58.9 122.7 14.4 14.7 35.9 49 49 A G T 3 S+ 0 0 86 1,-0.5 -1,-0.2 -2,-0.2 -3,-0.1 -0.052 106.6 110.5 101.0 -26.6 14.1 11.1 37.2 50 50 A T < - 0 0 45 -3,-1.2 -1,-0.5 1,-0.1 3,-0.1 -0.163 58.6-156.4 -66.1 166.0 17.9 10.9 37.0 51 51 A S S S+ 0 0 119 1,-0.4 2,-0.3 -3,-0.1 -1,-0.1 0.757 78.3 28.4-104.6 -43.8 19.9 10.8 40.2 52 52 A E S S- 0 0 144 1,-0.0 -1,-0.4 0, 0.0 3,-0.1 -0.800 98.3 -87.5-110.5 156.0 23.2 12.2 38.9 53 53 A V - 0 0 10 -2,-0.3 -6,-0.1 1,-0.1 -22,-0.0 -0.571 50.3-119.4 -65.8 111.9 24.0 14.7 36.0 54 54 A P - 0 0 31 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 -0.049 21.2-158.1 -47.4 138.1 24.3 12.5 32.9 55 55 A Q S S+ 0 0 107 1,-0.1 -28,-0.1 -3,-0.1 -29,-0.1 0.817 82.9 34.0 -97.0 -27.6 27.7 12.9 31.3 56 56 A N S S+ 0 0 132 -29,-0.0 -1,-0.1 4,-0.0 3,-0.1 -0.383 76.2 132.6-125.7 48.4 27.1 11.8 27.7 57 57 A N > - 0 0 42 -3,-0.2 4,-1.9 1,-0.2 5,-0.1 -0.910 44.9-154.2-101.4 127.7 23.7 13.0 27.1 58 58 A P H > S+ 0 0 94 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.750 95.7 58.7 -75.5 -21.6 23.5 14.8 23.7 59 59 A E H > S+ 0 0 111 1,-0.2 4,-2.8 2,-0.2 3,-0.1 0.961 106.9 45.8 -69.3 -53.3 20.7 16.7 24.8 60 60 A L H > S+ 0 0 2 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.886 114.4 48.1 -48.2 -49.5 22.6 18.2 27.7 61 61 A Q H X S+ 0 0 42 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.923 110.7 48.3 -65.3 -39.3 25.8 19.0 25.6 62 62 A A H X S+ 0 0 59 -4,-2.1 4,-1.6 2,-0.2 -2,-0.2 0.931 111.7 53.0 -73.7 -35.9 24.0 20.7 22.8 63 63 A H H X S+ 0 0 65 -4,-2.8 4,-1.7 -5,-0.2 3,-0.5 0.962 110.6 42.0 -54.9 -66.3 22.2 22.6 25.3 64 64 A A H X S+ 0 0 0 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.882 110.7 58.6 -56.3 -27.9 25.3 24.1 27.4 65 65 A G H X S+ 0 0 14 -4,-2.0 4,-2.1 -5,-0.3 -1,-0.2 0.922 102.3 52.7 -65.8 -40.1 27.4 24.8 24.2 66 66 A K H X S+ 0 0 143 -4,-1.6 4,-1.8 -3,-0.5 -1,-0.2 0.856 104.0 58.4 -65.9 -40.9 24.8 27.1 23.0 67 67 A V H X S+ 0 0 39 -4,-1.7 4,-1.7 1,-0.2 -2,-0.2 0.947 108.4 42.3 -51.6 -49.9 24.9 28.9 26.3 68 68 A F H X S+ 0 0 0 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.880 109.3 59.1 -71.3 -30.3 28.7 29.9 26.1 69 69 A K H X S+ 0 0 84 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.897 101.5 53.8 -63.9 -41.4 28.5 30.9 22.5 70 70 A L H X S+ 0 0 38 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.897 106.5 51.3 -63.2 -41.4 26.0 33.3 23.1 71 71 A V H X S+ 0 0 2 -4,-1.7 4,-2.1 1,-0.2 -2,-0.2 0.933 111.7 47.4 -61.9 -38.1 28.2 35.1 25.9 72 72 A Y H X S+ 0 0 31 -4,-2.2 4,-1.5 2,-0.2 -1,-0.2 0.896 108.1 53.1 -65.7 -42.8 31.3 35.4 23.7 73 73 A E H X S+ 0 0 93 -4,-2.1 4,-2.7 1,-0.2 3,-0.4 0.922 105.6 57.6 -68.5 -33.3 29.5 36.7 20.7 74 74 A A H X S+ 0 0 3 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.905 102.1 52.6 -55.4 -50.0 28.1 39.3 23.0 75 75 A A H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.860 111.9 44.8 -58.5 -35.1 31.7 40.7 24.1 76 76 A I H X S+ 0 0 45 -4,-1.5 4,-3.0 -3,-0.4 5,-0.3 0.952 106.8 57.2 -78.6 -40.5 32.9 41.2 20.5 77 77 A Q H X>S+ 0 0 67 -4,-2.7 4,-2.5 1,-0.2 5,-0.8 0.944 107.8 50.8 -56.0 -36.1 29.8 42.8 19.6 78 78 A L H X5S+ 0 0 16 -4,-2.6 4,-1.4 4,-0.2 -2,-0.2 0.963 111.5 45.0 -65.6 -35.0 30.6 45.3 22.5 79 79 A E H <5S+ 0 0 56 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.934 120.2 39.9 -75.1 -40.4 34.2 46.2 21.5 80 80 A V H <5S+ 0 0 97 -4,-3.0 -1,-0.2 1,-0.1 -2,-0.2 0.886 135.6 14.8 -66.8 -57.0 33.4 46.6 17.8 81 81 A T H <5S- 0 0 80 -4,-2.5 -3,-0.2 -5,-0.3 -2,-0.2 0.551 94.4-120.9 -97.4 -32.7 30.2 48.3 18.0 82 82 A G S < - 0 0 73 -2,-0.6 4,-2.1 1,-0.0 3,-0.3 -0.510 48.1 -77.2-115.6-166.8 17.5 39.2 17.7 88 88 A A H > S+ 0 0 80 1,-0.3 4,-2.3 2,-0.2 5,-0.2 0.906 126.0 52.7 -60.8 -35.4 14.7 36.2 17.0 89 89 A T H > S+ 0 0 79 2,-0.2 4,-3.0 1,-0.2 -1,-0.3 0.879 105.2 50.0 -63.3 -44.2 16.7 33.8 18.7 90 90 A L H > S+ 0 0 10 -3,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.849 111.4 52.1 -74.1 -31.2 17.1 35.8 21.9 91 91 A K H X S+ 0 0 103 -4,-2.1 4,-1.6 2,-0.2 -1,-0.2 0.904 107.7 47.6 -68.1 -35.7 13.4 36.3 21.9 92 92 A N H X S+ 0 0 102 -4,-2.3 4,-2.3 1,-0.2 3,-0.4 0.968 109.4 61.2 -71.3 -31.3 12.5 32.5 21.5 93 93 A L H X S+ 0 0 38 -4,-3.0 4,-1.8 1,-0.3 -2,-0.2 0.870 97.1 52.9 -55.5 -47.8 15.0 32.0 24.3 94 94 A G H X S+ 0 0 0 -4,-2.0 4,-1.8 1,-0.2 -1,-0.3 0.887 109.4 51.6 -58.6 -36.1 13.1 34.1 26.6 95 95 A S H X S+ 0 0 53 -4,-1.6 4,-2.5 -3,-0.4 -2,-0.2 0.927 105.8 52.0 -65.3 -47.8 9.7 31.9 25.9 96 96 A V H X S+ 0 0 55 -4,-2.3 4,-1.4 2,-0.2 -1,-0.2 0.914 106.5 55.2 -63.8 -31.0 11.2 28.6 26.5 97 97 A H H <>S+ 0 0 51 -4,-1.8 5,-2.3 1,-0.2 4,-0.3 0.895 106.8 49.5 -73.5 -34.4 12.6 29.8 29.9 98 98 A V H ><5S+ 0 0 47 -4,-1.8 3,-2.2 1,-0.2 -1,-0.2 0.966 107.3 54.2 -63.7 -45.3 9.3 30.8 31.0 99 99 A S H 3<5S+ 0 0 99 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.795 108.3 55.2 -53.4 -30.4 7.6 27.2 30.0 100 100 A K T 3<5S- 0 0 105 -4,-1.4 -1,-0.3 -3,-0.3 -2,-0.2 0.367 120.0-106.2 -91.1 0.2 10.1 25.6 32.0 101 101 A G T < 5 + 0 0 54 -3,-2.2 2,-0.2 -4,-0.3 -3,-0.2 0.691 63.9 153.8 85.7 17.9 9.6 27.3 35.3 102 102 A V < - 0 0 30 -5,-2.3 2,-0.2 -6,-0.1 -1,-0.2 -0.654 19.3-171.4 -82.6 132.2 13.0 29.7 35.2 103 103 A A > - 0 0 53 -2,-0.2 3,-1.6 1,-0.0 4,-0.4 -0.692 35.8-103.2-115.7 169.7 13.1 33.1 37.2 104 104 A D G > S+ 0 0 66 1,-0.3 3,-0.8 -2,-0.2 42,-0.1 0.735 116.8 62.3 -57.9 -29.1 15.7 36.2 37.3 105 105 A A G 3 S+ 0 0 86 1,-0.3 4,-0.3 2,-0.2 -1,-0.3 0.673 91.4 67.3 -82.7 -4.1 17.2 35.1 40.6 106 106 A H G X> S+ 0 0 65 -3,-1.6 3,-1.3 1,-0.2 4,-1.2 0.740 85.9 75.8 -71.1 -36.2 18.2 32.1 38.8 107 107 A F H <> S+ 0 0 24 -3,-0.8 4,-2.3 -4,-0.4 -1,-0.2 0.776 88.3 51.1 -52.8 -36.8 20.8 34.4 36.6 108 108 A P H 3> S+ 0 0 76 0, 0.0 4,-2.5 0, 0.0 -1,-0.3 0.798 108.1 61.1 -74.8 -20.0 23.7 35.0 39.2 109 109 A V H <> S+ 0 0 23 -3,-1.3 4,-1.7 -4,-0.3 -2,-0.2 0.962 108.5 37.6 -65.6 -56.0 23.5 31.1 39.5 110 110 A V H X S+ 0 0 38 -4,-1.2 4,-2.6 2,-0.2 -1,-0.2 0.900 117.7 55.9 -64.4 -25.5 24.3 30.6 35.9 111 111 A K H X S+ 0 0 39 -4,-2.3 4,-2.9 1,-0.2 5,-0.2 0.958 109.8 41.6 -71.1 -50.8 26.9 33.8 36.0 112 112 A E H X S+ 0 0 75 -4,-2.5 4,-3.2 1,-0.2 -1,-0.2 0.897 113.0 55.3 -63.4 -34.8 29.0 32.6 38.7 113 113 A A H X S+ 0 0 0 -4,-1.7 4,-2.1 1,-0.2 -2,-0.2 0.848 112.5 43.3 -70.3 -34.8 28.8 29.1 37.2 114 114 A I H X S+ 0 0 2 -4,-2.6 4,-3.2 2,-0.2 5,-0.3 0.890 115.7 46.5 -76.6 -35.2 30.2 30.6 33.9 115 115 A L H X S+ 0 0 18 -4,-2.9 4,-2.2 2,-0.2 -2,-0.2 0.928 117.4 45.3 -74.4 -36.8 33.1 33.0 35.6 116 116 A K H X S+ 0 0 84 -4,-3.2 4,-2.2 -5,-0.2 -2,-0.2 0.936 111.7 50.7 -70.5 -43.5 34.1 30.1 37.6 117 117 A T H X S+ 0 0 1 -4,-2.1 4,-2.8 2,-0.2 -2,-0.2 0.922 115.2 43.5 -54.6 -55.3 33.9 27.8 34.5 118 118 A I H X S+ 0 0 4 -4,-3.2 4,-2.7 2,-0.3 5,-0.4 0.908 109.7 56.4 -66.1 -23.8 36.2 30.4 32.5 119 119 A K H X S+ 0 0 104 -4,-2.2 4,-1.3 -5,-0.3 -1,-0.2 0.941 112.6 43.3 -74.4 -30.2 38.5 30.9 35.4 120 120 A E H < S+ 0 0 103 -4,-2.2 -2,-0.3 1,-0.2 -1,-0.2 0.859 111.9 51.4 -75.8 -49.5 38.9 27.2 35.2 121 121 A V H < S+ 0 0 18 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.927 119.1 34.0 -51.0 -46.7 39.2 27.1 31.4 122 122 A V H >< S+ 0 0 7 -4,-2.7 3,-1.4 1,-0.2 -2,-0.2 0.691 81.5 178.4 -91.7 -17.5 42.2 30.0 31.2 123 123 A G G >< + 0 0 39 -4,-1.3 3,-1.9 -5,-0.4 -1,-0.2 -0.234 62.6 8.6 45.7-127.7 44.0 29.2 34.3 124 124 A A G 3 S+ 0 0 111 1,-0.3 -1,-0.2 -2,-0.1 -2,-0.0 0.477 119.6 69.5 -63.8 -12.3 47.3 31.5 35.0 125 125 A K G < S+ 0 0 125 -3,-1.4 -1,-0.3 2,-0.1 -2,-0.1 0.311 72.9 123.5 -78.8 -5.2 46.5 33.7 32.2 126 126 A W < + 0 0 86 -3,-1.9 2,-0.3 -7,-0.1 3,-0.1 -0.239 39.4 173.2 -62.8 140.7 43.8 34.9 34.2 127 127 A S > - 0 0 38 1,-0.2 4,-2.0 0, 0.0 5,-0.1 -0.979 48.1-116.1-139.6 167.7 43.9 38.7 34.8 128 128 A E H > S+ 0 0 166 -2,-0.3 4,-2.9 1,-0.2 3,-0.3 0.923 119.2 59.0 -68.6 -46.6 41.9 41.2 36.3 129 129 A E H > S+ 0 0 86 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.822 108.9 45.5 -49.0 -40.1 41.6 42.7 32.9 130 130 A L H > S+ 0 0 6 2,-0.2 4,-2.5 1,-0.2 5,-0.3 0.888 111.8 49.6 -72.0 -38.8 40.0 39.3 31.6 131 131 A N H X S+ 0 0 51 -4,-2.0 4,-1.8 -3,-0.3 -2,-0.2 0.927 111.6 50.9 -69.3 -37.7 37.6 38.8 34.5 132 132 A S H X S+ 0 0 36 -4,-2.9 4,-2.5 2,-0.2 5,-0.2 0.902 107.9 51.6 -64.0 -49.3 36.6 42.3 33.9 133 133 A A H X S+ 0 0 0 -4,-2.1 4,-2.4 -5,-0.2 -2,-0.2 0.946 114.6 40.2 -54.8 -43.3 36.0 41.6 30.2 134 134 A W H X S+ 0 0 2 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.843 114.1 56.0 -78.6 -23.7 33.6 38.3 30.7 135 135 A T H X S+ 0 0 29 -4,-1.8 4,-2.6 -5,-0.3 5,-0.2 0.975 108.6 45.5 -73.7 -40.7 31.8 40.0 33.5 136 136 A I H X S+ 0 0 34 -4,-2.5 4,-2.2 1,-0.2 5,-0.2 0.896 113.6 48.1 -64.2 -52.0 31.0 42.8 31.4 137 137 A A H X S+ 0 0 0 -4,-2.4 4,-2.3 -5,-0.2 -1,-0.2 0.865 113.9 46.0 -59.0 -34.7 29.9 40.6 28.5 138 138 A Y H X S+ 0 0 18 -4,-2.0 4,-3.0 -3,-0.2 5,-0.2 0.977 113.1 49.8 -71.3 -49.6 27.5 38.2 30.7 139 139 A D H X S+ 0 0 54 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.880 111.7 48.2 -58.2 -41.7 26.0 41.1 32.5 140 140 A E H X S+ 0 0 79 -4,-2.2 4,-1.4 -5,-0.2 -1,-0.2 0.918 115.6 43.7 -65.7 -38.3 25.3 42.8 29.2 141 141 A L H X S+ 0 0 11 -4,-2.3 4,-2.5 -5,-0.2 -2,-0.2 0.916 112.3 52.2 -73.8 -34.7 23.8 39.6 27.6 142 142 A A H X S+ 0 0 5 -4,-3.0 4,-2.8 1,-0.2 5,-0.4 0.919 102.0 60.4 -70.8 -33.5 21.7 38.7 30.7 143 143 A I H X S+ 0 0 96 -4,-2.2 4,-1.3 -5,-0.2 -1,-0.2 0.919 106.5 47.0 -58.1 -41.2 20.3 42.1 30.7 144 144 A V H X S+ 0 0 13 -4,-1.4 4,-2.1 2,-0.2 -2,-0.2 0.922 114.1 43.9 -67.4 -44.8 19.0 41.3 27.2 145 145 A I H X S+ 0 0 15 -4,-2.5 4,-1.8 2,-0.2 -1,-0.2 0.925 110.2 53.9 -67.9 -42.5 17.3 37.7 28.0 146 146 A K H X S+ 0 0 67 -4,-2.8 4,-2.0 1,-0.2 3,-0.3 0.879 105.1 57.2 -60.4 -33.2 15.8 38.7 31.2 147 147 A K H X S+ 0 0 108 -4,-1.3 4,-2.1 -5,-0.4 -2,-0.2 0.960 107.0 44.7 -63.8 -49.7 14.3 41.3 29.2 148 148 A E H X S+ 0 0 25 -4,-2.1 4,-1.0 1,-0.2 -1,-0.2 0.755 111.6 55.9 -64.6 -17.7 12.7 38.8 26.7 149 149 A M H X S+ 0 0 6 -4,-1.8 4,-0.9 -3,-0.3 -1,-0.2 0.913 103.9 50.5 -78.9 -43.4 11.4 36.5 29.6 150 150 A D H >< S+ 0 0 98 -4,-2.0 3,-1.3 1,-0.3 -2,-0.2 0.968 111.3 50.6 -62.4 -40.3 9.6 39.1 31.3 151 151 A D H 3< S+ 0 0 133 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.799 109.4 49.1 -62.3 -29.5 8.1 39.7 27.9 152 152 A A H 3< 0 0 38 -4,-1.0 -1,-0.2 1,-0.1 -2,-0.2 0.593 360.0 360.0 -86.0 -4.9 7.1 35.8 27.4 153 153 A A << 0 0 127 -3,-1.3 -1,-0.1 -4,-0.9 -58,-0.0 -0.725 360.0 360.0 -83.2 360.0 5.5 35.6 30.8