==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-MAR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER UNKNOWN FUNCTION 26-JAN-10 3LJN . COMPND 2 MOLECULE: HYPOTHETICAL PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: LEISHMANIA MAJOR; . AUTHOR M.A.HOLMES,E.A.MERRITT,STRUCTURAL GENOMICS OF PATHOGENIC . 304 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14595.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 206 67.8 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 . 9 3.0 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 . 4 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 1.0 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 . 18 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 13.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 120 39.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 2.6 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 2 0 4 2 1 4 0 0 1 1 0 0 0 1 0 0 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 . 2 0 1 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 . 1 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 12 A S 0 0 113 0, 0.0 4,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -98.5 11.4 6.8 78.7 2 13 A D >> + 0 0 119 2,-0.2 4,-1.7 1,-0.2 3,-0.9 0.881 360.0 50.7 -67.3 -40.7 10.0 6.2 75.1 3 14 A D H 3> S+ 0 0 113 1,-0.3 4,-1.0 2,-0.2 -1,-0.2 0.724 101.6 60.4 -73.1 -23.8 12.3 9.1 74.0 4 15 A E H 3> S+ 0 0 131 2,-0.2 4,-0.5 1,-0.2 -1,-0.3 0.677 108.3 46.6 -73.9 -19.1 15.3 7.5 75.7 5 16 A N H <> S+ 0 0 64 -3,-0.9 4,-1.9 -4,-0.4 3,-0.3 0.842 106.1 53.5 -90.1 -41.5 14.8 4.5 73.4 6 17 A X H X S+ 0 0 20 -4,-1.7 4,-2.0 1,-0.2 5,-0.2 0.811 104.5 60.7 -63.4 -26.5 14.3 6.3 70.1 7 18 A E H X S+ 0 0 108 -4,-1.0 4,-1.4 1,-0.2 -1,-0.2 0.899 105.9 45.6 -64.5 -41.6 17.6 7.9 70.8 8 19 A K H X S+ 0 0 107 -4,-0.5 4,-2.0 -3,-0.3 -2,-0.2 0.903 112.9 48.3 -67.4 -43.7 19.4 4.6 70.9 9 20 A I H X S+ 0 0 0 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.897 111.0 49.4 -71.3 -40.7 17.8 3.2 67.8 10 21 A H H X S+ 0 0 14 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.866 111.0 51.4 -61.4 -41.6 18.5 6.3 65.6 11 22 A V H X S+ 0 0 55 -4,-1.4 4,-1.6 -5,-0.2 -2,-0.2 0.924 111.5 46.7 -60.3 -45.8 22.1 6.4 66.8 12 23 A A H X>S+ 0 0 2 -4,-2.0 5,-2.6 2,-0.2 4,-0.6 0.898 111.0 51.9 -67.0 -42.0 22.6 2.7 65.8 13 24 A A H ><5S+ 0 0 0 -4,-2.4 3,-1.3 1,-0.2 -1,-0.2 0.945 108.4 52.2 -58.2 -47.7 20.9 3.3 62.5 14 25 A R H 3<5S+ 0 0 103 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.872 112.3 45.2 -56.3 -38.0 23.3 6.1 61.8 15 26 A K H 3<5S- 0 0 107 -4,-1.6 -1,-0.2 -5,-0.1 -2,-0.2 0.412 113.1-111.9 -91.1 2.5 26.3 4.0 62.6 16 27 A G T <<5 + 0 0 31 -3,-1.3 2,-1.0 -4,-0.6 3,-0.2 0.909 61.0 156.3 66.5 42.2 25.3 0.9 60.6 17 28 A Q >< + 0 0 87 -5,-2.6 4,-2.1 1,-0.2 -1,-0.2 -0.678 5.0 161.0-101.3 75.5 24.8 -1.1 63.7 18 29 A T H > S+ 0 0 37 -2,-1.0 4,-3.0 1,-0.2 5,-0.3 0.908 74.5 56.5 -64.7 -46.9 22.3 -3.8 62.4 19 30 A D H > S+ 0 0 134 -3,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.957 111.6 42.7 -37.3 -60.5 23.2 -6.1 65.3 20 31 A E H > S+ 0 0 67 1,-0.2 4,-1.5 2,-0.2 -2,-0.2 0.766 114.0 49.9 -72.4 -31.3 22.2 -3.3 67.8 21 32 A V H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.872 110.1 50.4 -69.9 -45.3 19.1 -2.2 65.9 22 33 A R H X S+ 0 0 106 -4,-3.0 4,-3.2 1,-0.2 5,-0.2 0.913 109.7 53.1 -55.5 -46.6 17.8 -5.8 65.6 23 34 A R H X S+ 0 0 107 -4,-2.1 4,-1.9 -5,-0.3 -2,-0.2 0.907 108.8 47.4 -58.4 -45.8 18.4 -6.1 69.4 24 35 A L H <>S+ 0 0 2 -4,-1.5 5,-2.3 2,-0.2 -1,-0.2 0.898 115.4 46.2 -64.6 -39.2 16.3 -3.0 70.1 25 36 A I H ><5S+ 0 0 26 -4,-2.2 3,-1.5 3,-0.2 -2,-0.2 0.882 108.7 53.3 -73.6 -42.1 13.5 -4.2 67.9 26 37 A E H 3<5S+ 0 0 129 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.924 108.5 52.3 -55.7 -42.7 13.4 -7.8 69.2 27 38 A T T 3<5S- 0 0 98 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.379 131.0 -96.1 -79.2 4.4 13.1 -6.2 72.7 28 39 A G T < 5S+ 0 0 63 -3,-1.5 2,-0.6 1,-0.3 -3,-0.2 0.670 70.7 145.8 98.6 19.0 10.1 -4.1 71.5 29 40 A V < - 0 0 12 -5,-2.3 -1,-0.3 -24,-0.1 -2,-0.0 -0.782 58.3-115.3 -75.8 121.6 11.2 -0.7 70.4 30 41 A S > - 0 0 63 -2,-0.6 3,-1.1 1,-0.1 31,-0.1 -0.424 18.3-137.5 -64.5 132.5 8.9 0.1 67.5 31 42 A P T 3 S+ 0 0 26 0, 0.0 10,-0.6 0, 0.0 11,-0.2 0.831 97.1 53.3 -57.6 -39.7 11.0 0.5 64.3 32 43 A T T 3 S+ 0 0 51 8,-0.1 2,-0.3 28,-0.1 32,-0.2 -0.013 74.8 146.1 -91.9 30.3 9.2 3.5 62.9 33 44 A I < - 0 0 38 -3,-1.1 8,-0.3 1,-0.1 2,-0.2 -0.506 35.1-147.5 -79.2 130.9 9.6 5.7 66.0 34 45 A Q - 0 0 107 -2,-0.3 2,-0.2 6,-0.1 6,-0.2 -0.521 12.6-140.6-108.9 160.6 10.1 9.4 65.2 35 46 A N > - 0 0 39 4,-1.1 3,-2.9 -2,-0.2 4,-0.3 -0.651 54.7 -79.7-107.2 170.0 11.8 12.5 66.5 36 47 A R T 3 S+ 0 0 225 1,-0.3 -2,-0.0 -2,-0.2 0, 0.0 0.651 132.0 51.9 -51.6 -20.3 10.2 15.9 66.4 37 48 A F T 3 S- 0 0 97 2,-0.1 31,-0.4 30,-0.0 -1,-0.3 0.184 119.3-105.9 -96.2 12.6 11.0 16.3 62.6 38 49 A G < + 0 0 9 -3,-2.9 2,-0.2 1,-0.2 -2,-0.1 0.693 69.3 151.5 68.2 18.8 9.5 13.0 61.6 39 50 A C - 0 0 2 -4,-0.3 -4,-1.1 4,-0.1 2,-0.3 -0.606 20.9-175.7 -80.4 143.1 12.9 11.4 61.1 40 51 A T > - 0 0 1 -2,-0.2 4,-1.9 -6,-0.2 5,-0.2 -0.844 41.9 -93.8-132.1 171.2 13.1 7.6 61.7 41 52 A A H > S+ 0 0 0 -10,-0.6 4,-2.3 -8,-0.3 5,-0.2 0.872 122.7 52.0 -53.6 -42.9 15.9 5.0 61.7 42 53 A L H > S+ 0 0 13 -11,-0.2 4,-2.7 1,-0.2 5,-0.2 0.920 104.6 54.1 -67.4 -44.2 15.3 4.1 58.1 43 54 A H H > S+ 0 0 0 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.936 113.5 45.8 -47.3 -48.0 15.6 7.7 56.9 44 55 A L H X S+ 0 0 21 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.837 108.8 53.2 -69.9 -38.1 18.9 7.8 58.7 45 56 A A H X S+ 0 0 0 -4,-2.3 4,-0.6 1,-0.2 -1,-0.2 0.939 111.5 47.8 -59.5 -46.1 20.1 4.5 57.3 46 57 A C H < S+ 0 0 0 -4,-2.7 3,-0.4 1,-0.2 -2,-0.2 0.823 110.8 50.1 -67.9 -32.3 19.4 5.7 53.8 47 58 A K H < S+ 0 0 104 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.869 116.7 41.6 -70.3 -34.3 21.2 9.0 54.3 48 59 A F H < S- 0 0 98 -4,-1.7 2,-0.8 1,-0.2 -2,-0.2 0.314 108.0-112.1-104.3 9.2 24.3 7.4 55.7 49 60 A G < + 0 0 18 -4,-0.6 -1,-0.2 -3,-0.4 5,-0.1 -0.882 56.5 152.2 99.9-106.0 24.9 4.3 53.5 50 61 A C > + 0 0 26 -2,-0.8 4,-2.6 -36,-0.1 5,-0.2 0.856 16.9 178.6 48.2 53.8 24.2 1.4 55.8 51 62 A V H > S+ 0 0 43 1,-0.2 4,-2.7 2,-0.2 5,-0.1 0.890 77.0 43.0 -53.0 -47.4 23.0 -1.1 53.2 52 63 A D H > S+ 0 0 118 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.902 114.2 48.5 -74.0 -44.3 22.5 -4.0 55.6 53 64 A T H > S+ 0 0 2 2,-0.2 4,-3.0 1,-0.2 -1,-0.2 0.878 114.2 49.2 -56.5 -41.2 20.7 -2.0 58.3 54 65 A A H X S+ 0 0 0 -4,-2.6 4,-2.8 2,-0.2 5,-0.2 0.954 108.4 51.8 -65.7 -50.8 18.5 -0.5 55.6 55 66 A K H X S+ 0 0 77 -4,-2.7 4,-0.8 -5,-0.2 -2,-0.2 0.912 114.7 44.8 -49.0 -48.3 17.7 -3.9 54.1 56 67 A Y H >X S+ 0 0 47 -4,-2.5 3,-1.6 2,-0.2 4,-0.7 0.984 113.6 45.6 -62.7 -60.1 16.7 -5.0 57.6 57 68 A L H >X S+ 0 0 5 -4,-3.0 4,-1.6 1,-0.3 3,-0.9 0.829 107.7 59.8 -56.9 -34.0 14.6 -2.0 58.6 58 69 A A H 3< S+ 0 0 2 -4,-2.8 -1,-0.3 1,-0.2 -2,-0.2 0.784 104.6 51.7 -61.2 -28.5 12.8 -2.0 55.2 59 70 A S H << S+ 0 0 25 -3,-1.6 -1,-0.2 -4,-0.8 -2,-0.2 0.653 112.9 42.9 -83.1 -16.0 11.6 -5.5 56.0 60 71 A V H << S+ 0 0 55 -3,-0.9 2,-0.3 -4,-0.7 -2,-0.2 0.705 117.2 21.6-105.4 -24.0 10.2 -4.6 59.5 61 72 A G < - 0 0 11 -4,-1.6 2,-0.6 -30,-0.1 -1,-0.3 -0.929 55.8-138.0-159.0 125.7 8.3 -1.3 59.0 62 73 A E - 0 0 72 -2,-0.3 2,-0.5 -3,-0.1 -30,-0.1 -0.720 35.2-130.1 -74.6 118.9 6.7 0.9 56.4 63 74 A V - 0 0 11 -2,-0.6 -1,-0.0 1,-0.1 -23,-0.0 -0.658 26.2-178.4 -73.9 120.4 7.8 4.5 57.2 64 75 A H + 0 0 146 -2,-0.5 2,-0.3 -32,-0.2 -1,-0.1 -0.094 54.4 79.0-110.0 30.5 4.6 6.8 57.3 65 76 A S - 0 0 15 -27,-0.1 2,-0.3 5,-0.0 -25,-0.1 -0.932 67.7-133.0-135.6 162.6 6.3 10.1 58.0 66 77 A L - 0 0 58 -2,-0.3 2,-0.5 5,-0.1 5,-0.2 -0.875 6.1-152.9-117.6 144.1 8.3 12.6 56.0 67 78 A W B > S-A 70 0A 33 3,-2.5 3,-1.4 -2,-0.3 -29,-0.1 -0.972 88.5 -18.6-121.7 116.9 11.6 14.3 56.9 68 79 A H T 3 S- 0 0 130 -2,-0.5 -1,-0.2 -31,-0.4 3,-0.1 0.924 133.2 -52.6 45.6 44.0 12.0 17.7 55.3 69 80 A G T 3 S+ 0 0 17 1,-0.2 39,-2.1 -3,-0.1 2,-0.3 0.527 116.2 116.1 79.3 8.4 9.2 16.4 53.1 70 81 A Q B < -A 67 0A 6 -3,-1.4 -3,-2.5 37,-0.2 -1,-0.2 -0.823 53.1-146.7-123.8 153.6 11.0 13.1 52.1 71 82 A K >> - 0 0 27 -2,-0.3 3,-1.4 -5,-0.2 4,-1.1 -0.773 42.1 -99.3-108.5 154.4 10.6 9.4 52.5 72 83 A P H 3> S+ 0 0 8 0, 0.0 4,-1.3 0, 0.0 5,-0.1 0.711 120.6 57.3 -53.3 -28.8 13.6 7.0 52.8 73 84 A I H 3> S+ 0 0 7 1,-0.2 4,-1.6 2,-0.2 3,-0.2 0.923 103.7 53.9 -62.8 -43.7 13.6 6.0 49.2 74 85 A H H <> S+ 0 0 3 -3,-1.4 4,-1.7 1,-0.2 -1,-0.2 0.860 109.2 47.4 -61.9 -38.5 13.9 9.7 48.1 75 86 A L H X S+ 0 0 23 -4,-1.1 4,-1.1 1,-0.2 -1,-0.2 0.779 107.8 56.1 -73.2 -30.3 17.0 10.2 50.3 76 87 A A H <>S+ 0 0 0 -4,-1.3 5,-0.8 -3,-0.2 4,-0.5 0.844 107.5 50.1 -65.9 -34.0 18.6 7.0 49.0 77 88 A V H ><5S+ 0 0 2 -4,-1.6 3,-1.5 1,-0.2 -2,-0.2 0.938 107.8 49.5 -75.2 -48.3 18.3 8.2 45.4 78 89 A X H 3<5S+ 0 0 52 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.750 103.4 62.9 -62.9 -24.7 19.9 11.6 46.0 79 90 A A T 3<5S- 0 0 49 -4,-1.1 -1,-0.3 -5,-0.1 -2,-0.2 0.715 97.4-148.0 -68.5 -22.7 22.8 9.8 47.7 80 91 A N T < 5 + 0 0 56 -3,-1.5 2,-0.6 -4,-0.5 -3,-0.1 0.770 51.1 133.1 59.8 30.1 23.4 8.1 44.3 81 92 A K >< - 0 0 132 -5,-0.8 4,-0.6 1,-0.1 3,-0.5 -0.960 41.1-161.9-109.3 114.2 24.7 4.8 45.8 82 93 A T H >> S+ 0 0 41 -2,-0.6 4,-1.5 1,-0.2 3,-0.7 0.780 79.4 62.0 -74.5 -33.6 22.9 2.1 43.9 83 94 A D H 3> S+ 0 0 95 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.867 100.1 57.6 -62.2 -34.8 23.3 -1.0 46.2 84 95 A L H 3> S+ 0 0 2 -3,-0.5 4,-2.0 1,-0.2 -1,-0.2 0.777 103.7 52.7 -65.7 -28.7 21.4 0.8 48.9 85 96 A V H S+ 0 0 1 -4,-1.8 5,-1.2 1,-0.2 4,-0.8 0.803 108.0 59.5 -71.4 -32.6 10.3 -4.1 51.2 93 104 A K H ><5S+ 0 0 107 -4,-2.2 3,-1.4 1,-0.2 -1,-0.2 0.951 103.3 51.7 -57.1 -52.5 9.7 -7.2 49.0 94 105 A E H 3<5S+ 0 0 150 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.858 108.3 54.0 -48.9 -40.1 10.1 -9.5 52.0 95 106 A R H 3<5S- 0 0 73 -4,-1.1 -1,-0.3 -5,-0.2 -2,-0.2 0.638 121.2-105.5 -76.1 -18.6 7.5 -7.4 53.8 96 107 A G T <<5S+ 0 0 51 -3,-1.4 2,-0.4 -4,-0.8 -3,-0.2 0.170 80.3 119.6 116.4 -19.2 4.9 -7.7 51.1 97 108 A Q < - 0 0 22 -5,-1.2 -1,-0.4 1,-0.1 -2,-0.1 -0.677 59.6-128.8 -82.2 133.6 4.9 -4.3 49.4 98 109 A X > - 0 0 97 -2,-0.4 4,-2.2 1,-0.1 5,-0.2 -0.372 16.3-115.5 -84.0 158.0 5.9 -4.4 45.7 99 110 A P H > S+ 0 0 17 0, 0.0 4,-4.2 0, 0.0 5,-0.3 0.855 113.0 56.6 -63.8 -37.1 8.6 -2.2 44.1 100 111 A E H > S+ 0 0 107 2,-0.2 4,-1.8 1,-0.2 50,-0.2 0.977 108.9 46.4 -55.5 -57.5 6.2 -0.3 41.9 101 112 A S H 4 S+ 0 0 73 1,-0.2 -1,-0.2 2,-0.2 3,-0.1 0.923 121.8 38.1 -48.7 -50.1 4.1 0.8 45.0 102 113 A L H >< S+ 0 0 23 -4,-2.2 3,-1.4 1,-0.2 -2,-0.2 0.951 116.2 47.6 -69.0 -54.3 7.4 1.8 46.8 103 114 A L H 3< S+ 0 0 8 -4,-4.2 23,-0.3 1,-0.3 24,-0.3 0.650 107.6 56.7 -68.8 -15.9 9.5 3.3 44.0 104 115 A N T 3< S+ 0 0 48 -4,-1.8 -1,-0.3 -5,-0.3 -2,-0.1 0.258 75.7 132.1-102.9 14.3 6.7 5.5 42.7 105 116 A E < - 0 0 66 -3,-1.4 21,-0.4 -5,-0.1 2,-0.4 -0.288 51.3-131.7 -59.9 148.0 6.0 7.4 46.0 106 117 A C - 0 0 27 19,-0.1 19,-0.3 20,-0.1 -1,-0.1 -0.864 10.5-138.7-107.7 135.9 5.8 11.2 45.8 107 118 A D - 0 0 0 17,-2.7 -37,-0.2 -2,-0.4 -38,-0.1 -0.231 10.8-135.4 -77.8 176.2 7.6 13.6 48.1 108 119 A E + 0 0 108 -39,-2.1 2,-0.5 15,-0.2 15,-0.2 -0.449 56.0 133.8-130.8 58.4 5.9 16.7 49.5 109 120 A R - 0 0 84 -40,-0.1 14,-0.2 15,-0.1 2,-0.2 -0.923 47.1-143.8-122.0 106.7 8.7 19.1 48.9 110 121 A E + 0 0 76 -2,-0.5 2,-0.3 12,-0.2 12,-0.3 -0.469 29.1 177.0 -71.5 136.4 8.1 22.6 47.3 111 122 A V E -B 121 0B 20 10,-2.4 10,-1.3 -2,-0.2 3,-0.1 -0.908 34.9-170.0-141.3 161.1 10.9 23.7 45.0 112 123 A N E S+B 120 0B 116 1,-0.4 8,-0.2 -2,-0.3 2,-0.2 -0.016 84.4 30.9-141.3 34.3 12.0 26.6 42.6 113 124 A E E - 0 0 54 6,-0.7 2,-0.9 5,-0.2 -1,-0.4 -0.523 65.2-154.1 164.2 110.3 15.1 25.2 41.0 114 125 A I E > -B 117 0B 0 3,-0.6 3,-1.3 -2,-0.2 2,-1.2 -0.822 65.7 -62.7-109.9 90.4 15.7 21.5 40.3 115 126 A G T 3 S- 0 0 58 -2,-0.9 18,-0.1 1,-0.2 14,-0.0 -0.591 125.7 -4.9 71.5 -95.8 19.4 21.0 40.2 116 127 A S T 3 S+ 0 0 106 -2,-1.2 -1,-0.2 16,-0.7 2,-0.2 0.425 123.7 73.6-109.9 -3.5 20.4 23.1 37.2 117 128 A H E < S-B 114 0B 63 -3,-1.3 -3,-0.6 15,-0.1 2,-0.5 -0.511 76.8-119.4-113.6 176.0 17.0 24.2 36.0 118 129 A V E + 0 0 136 -5,-0.3 2,-0.4 -2,-0.2 -5,-0.2 -0.738 51.2 142.1-124.3 79.9 14.3 26.6 37.1 119 130 A K E - 0 0 15 -2,-0.5 -6,-0.7 2,-0.0 2,-0.5 -0.969 43.2-138.2-123.7 135.4 11.0 24.7 37.8 120 131 A H E +B 112 0B 130 -2,-0.4 2,-0.3 -8,-0.2 -8,-0.2 -0.805 34.5 163.7 -87.5 128.2 8.4 25.2 40.5 121 132 A C E -B 111 0B 3 -10,-1.3 -10,-2.4 -2,-0.5 3,-0.1 -0.986 29.8-167.8-150.4 137.0 7.2 21.9 41.9 122 133 A K S S+ 0 0 52 -2,-0.3 -12,-0.2 1,-0.3 2,-0.2 0.294 79.0 8.3-107.3 7.0 5.3 20.9 45.1 123 134 A G + 0 0 0 -15,-0.2 33,-1.7 -14,-0.2 -1,-0.3 -0.715 66.9 176.4 167.7 132.6 5.8 17.1 45.1 124 135 A Q - 0 0 0 31,-0.2 -17,-2.7 -2,-0.2 2,-0.2 -0.997 28.6-122.6-155.6 141.6 7.9 14.7 43.1 125 136 A T >> - 0 0 0 -2,-0.3 4,-1.2 -19,-0.3 3,-0.5 -0.489 39.3-112.6 -77.7 162.0 8.9 11.0 42.6 126 137 A A H 3> S+ 0 0 5 -21,-0.4 4,-2.0 -23,-0.3 5,-0.2 0.696 115.9 64.5 -71.3 -21.3 12.6 10.3 42.8 127 138 A L H 3> S+ 0 0 3 -24,-0.3 4,-1.4 2,-0.2 -1,-0.2 0.855 100.5 52.9 -69.8 -32.6 12.7 9.4 39.1 128 139 A H H <> S+ 0 0 0 -3,-0.5 4,-1.2 2,-0.2 -2,-0.2 0.911 108.6 49.7 -61.8 -50.3 11.7 13.0 38.3 129 140 A W H >X S+ 0 0 20 -4,-1.2 3,-2.1 2,-0.2 4,-1.6 0.985 107.5 52.5 -51.1 -65.0 14.7 14.3 40.4 130 141 A C H 3< S+ 0 0 0 -4,-2.0 3,-0.2 1,-0.3 7,-0.2 0.847 105.6 56.6 -37.3 -46.4 17.2 12.0 38.7 131 142 A V H 3< S+ 0 0 1 -4,-1.4 3,-0.4 1,-0.2 -1,-0.3 0.843 112.3 41.5 -60.6 -34.0 16.0 13.4 35.4 132 143 A G H << S+ 0 0 2 -3,-2.1 -16,-0.7 -4,-1.2 -1,-0.2 0.723 99.4 73.5 -83.3 -23.1 16.8 16.9 36.6 133 144 A L S < S- 0 0 47 -4,-1.6 3,-0.4 -3,-0.2 -1,-0.2 0.199 96.6-121.6 -88.1 18.0 20.1 16.3 38.3 134 145 A G > - 0 0 23 -3,-0.4 3,-1.3 1,-0.2 -1,-0.2 -0.118 49.0 -43.1 76.9-173.8 22.3 15.8 35.2 135 146 A P G > S+ 0 0 100 0, 0.0 3,-1.6 0, 0.0 4,-0.4 0.574 117.2 79.3 -76.0 -12.4 24.4 12.8 34.0 136 147 A E G 3 S+ 0 0 70 -3,-0.4 3,-0.3 1,-0.2 4,-0.1 0.806 101.2 46.6 -58.6 -24.9 26.0 12.0 37.4 137 148 A Y G <> S+ 0 0 40 -3,-1.3 4,-1.7 -7,-0.2 -1,-0.2 0.134 79.3 100.9-104.2 16.4 22.6 10.3 38.0 138 149 A L H <> S+ 0 0 25 -3,-1.6 4,-1.9 1,-0.2 -1,-0.2 0.923 79.7 56.2 -66.0 -42.4 22.3 8.4 34.7 139 150 A E H > S+ 0 0 98 -4,-0.4 4,-1.7 -3,-0.3 -1,-0.2 0.814 107.9 49.3 -57.7 -35.5 23.4 5.1 36.3 140 151 A X H > S+ 0 0 0 2,-0.2 4,-3.5 1,-0.2 5,-0.3 0.913 104.2 57.5 -69.4 -47.6 20.5 5.5 38.9 141 152 A I H X S+ 0 0 0 -4,-1.7 4,-2.1 1,-0.2 -2,-0.2 0.926 107.8 49.6 -48.5 -47.6 17.9 6.1 36.2 142 153 A K H X S+ 0 0 73 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.956 114.3 42.9 -57.2 -54.9 18.9 2.8 34.7 143 154 A I H X S+ 0 0 24 -4,-1.7 4,-1.9 1,-0.2 -2,-0.2 0.888 112.2 53.2 -61.4 -41.9 18.6 0.9 37.9 144 155 A L H X>S+ 0 0 3 -4,-3.5 5,-2.6 1,-0.2 4,-0.9 0.913 110.6 47.5 -61.4 -39.2 15.4 2.6 39.0 145 156 A V H <5S+ 0 0 2 -4,-2.1 3,-0.3 -5,-0.3 -1,-0.2 0.850 110.9 50.1 -76.5 -35.0 13.7 1.7 35.8 146 157 A Q H <5S+ 0 0 113 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.826 108.1 55.9 -62.9 -35.6 14.8 -2.0 35.9 147 158 A L H <5S- 0 0 46 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.725 131.4 -88.2 -72.4 -23.3 13.5 -2.2 39.4 148 159 A G T <5S+ 0 0 21 -4,-0.9 2,-0.4 1,-0.3 -3,-0.2 0.485 73.5 149.1 123.1 7.2 10.0 -1.1 38.5 149 160 A A < - 0 0 2 -5,-2.6 -1,-0.3 -6,-0.2 -49,-0.1 -0.614 47.8-125.5 -69.3 127.2 10.1 2.7 38.7 150 161 A S > - 0 0 24 -2,-0.4 3,-2.0 -50,-0.2 -23,-0.1 -0.623 10.8-149.7 -88.7 124.3 7.6 3.9 36.1 151 162 A P T 3 S+ 0 0 3 0, 0.0 11,-1.6 0, 0.0 -1,-0.1 0.540 102.8 50.8 -66.4 -1.3 8.7 6.4 33.5 152 163 A T T 3 S+ 0 0 1 34,-0.2 2,-0.1 8,-0.2 -2,-0.0 0.006 76.7 141.3-120.3 24.3 5.1 7.7 33.5 153 164 A A < - 0 0 10 -3,-2.0 2,-0.5 1,-0.1 9,-0.1 -0.405 50.7-122.8 -61.5 142.9 4.8 8.2 37.3 154 165 A K - 0 0 74 6,-0.1 6,-0.2 -50,-0.1 -1,-0.1 -0.808 18.3-157.4 -96.7 129.2 2.8 11.3 38.1 155 166 A D > - 0 0 6 4,-2.2 3,-1.2 -2,-0.5 -31,-0.2 -0.165 47.7 -85.0 -77.5-173.9 4.1 14.2 40.3 156 167 A K T 3 S+ 0 0 110 -33,-1.7 -32,-0.1 1,-0.3 -2,-0.0 0.370 131.3 54.9 -81.7 5.8 1.6 16.5 42.0 157 168 A A T 3 S- 0 0 44 -34,-0.3 37,-0.7 2,-0.2 -1,-0.3 0.002 120.4-109.0-115.8 21.9 1.3 18.7 38.8 158 169 A D S < S+ 0 0 67 -3,-1.2 2,-0.4 1,-0.2 -2,-0.1 0.741 74.1 137.4 53.1 34.3 0.3 15.6 36.8 159 170 A E - 0 0 26 34,-0.1 -4,-2.2 35,-0.0 -1,-0.2 -0.860 42.9-142.7-107.6 143.5 3.6 15.4 34.9 160 171 A T > - 0 0 0 -2,-0.4 4,-2.2 -6,-0.2 -8,-0.2 -0.457 28.9-105.6 -96.3 165.9 5.5 12.2 34.2 161 172 A P H > S+ 0 0 0 0, 0.0 4,-1.9 0, 0.0 5,-0.2 0.886 122.4 53.5 -62.1 -33.0 9.3 11.7 34.2 162 173 A L H >> S+ 0 0 0 -11,-1.6 4,-2.4 2,-0.2 3,-0.6 0.972 108.3 49.5 -60.1 -53.0 9.2 11.5 30.4 163 174 A X H 3> S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.882 110.3 53.0 -49.3 -41.6 7.4 14.9 30.3 164 175 A R H 3X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.853 107.4 48.9 -64.2 -38.2 10.1 16.2 32.7 165 176 A A H <<>S+ 0 0 0 -4,-1.9 5,-3.2 -3,-0.6 -2,-0.2 0.873 111.2 51.3 -72.9 -39.1 13.0 15.1 30.5 166 177 A X H ><5S+ 0 0 0 -4,-2.4 3,-1.9 3,-0.2 -2,-0.2 0.948 109.3 50.0 -54.3 -53.6 11.3 16.7 27.5 167 178 A E H 3<5S+ 0 0 70 -4,-2.5 -2,-0.2 1,-0.3 -3,-0.1 0.951 117.0 39.6 -57.4 -52.4 10.9 20.0 29.4 168 179 A F T 3<5S- 0 0 24 -4,-2.3 -1,-0.3 -5,-0.1 -2,-0.2 0.254 109.6-129.4 -77.2 13.6 14.6 20.1 30.5 169 180 A R T < 5 + 0 0 149 -3,-1.9 2,-0.8 1,-0.2 -3,-0.2 0.844 50.6 158.8 36.2 51.1 15.4 18.8 27.0 170 181 A N >< + 0 0 30 -5,-3.2 4,-1.3 1,-0.2 -1,-0.2 -0.855 13.2 174.2-101.5 95.3 17.5 16.0 28.5 171 182 A R H > S+ 0 0 85 -2,-0.8 4,-2.4 2,-0.2 3,-0.4 0.949 70.9 59.7 -71.6 -51.9 17.7 13.4 25.7 172 183 A E H > S+ 0 0 137 1,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.853 109.4 48.0 -43.9 -41.1 20.2 10.8 27.3 173 184 A A H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 -1,-0.3 0.914 111.1 49.9 -65.6 -44.2 17.7 10.4 30.1 174 185 A L H X S+ 0 0 0 -4,-1.3 4,-1.9 -3,-0.4 -2,-0.2 0.875 113.2 43.9 -66.6 -41.8 14.7 10.0 27.8 175 186 A D H X S+ 0 0 63 -4,-2.4 4,-2.6 2,-0.2 5,-0.3 0.956 112.9 52.1 -66.4 -51.7 16.3 7.3 25.6 176 187 A L H X S+ 0 0 40 -4,-1.8 4,-2.9 -5,-0.3 5,-0.3 0.907 110.3 49.6 -50.2 -47.0 17.7 5.4 28.5 177 188 A X H X S+ 0 0 0 -4,-2.3 4,-1.4 1,-0.2 -1,-0.2 0.929 115.8 41.3 -60.3 -47.0 14.2 5.4 30.1 178 189 A X H < S+ 0 0 7 -4,-1.9 -1,-0.2 2,-0.2 -2,-0.2 0.731 121.4 41.5 -75.0 -24.7 12.4 4.2 27.0 179 190 A D H < S+ 0 0 106 -4,-2.6 -2,-0.2 -5,-0.1 -3,-0.2 0.789 117.2 46.1 -92.9 -31.0 15.2 1.6 26.1 180 191 A T H < S+ 0 0 25 -4,-2.9 -2,-0.2 -5,-0.3 -3,-0.2 0.762 84.2 111.4 -75.8 -29.4 15.8 0.4 29.7 181 192 A V < - 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