==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CONTRACTILE PROTEIN 03-JUL-99 1QUU . COMPND 2 MOLECULE: HUMAN SKELETAL MUSCLE ALPHA-ACTININ 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR K.DJINOVIC-CARUGO,P.YOUNG,M.GAUTEL,M.SARASTE . 248 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16076.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 214 86.3 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 . 5 2.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 177 71.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.2 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 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 1 2 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 0 110 0, 0.0 2,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 25.6 46.3 4.8 26.6 2 2 A S > + 0 0 75 1,-0.1 3,-2.2 0, 0.0 2,-0.6 -0.323 360.0 22.1 104.6 172.2 43.3 6.9 27.5 3 3 A S T 3> S+ 0 0 61 1,-0.3 4,-4.1 2,-0.2 5,-0.4 -0.062 124.4 45.3 35.5 -82.2 39.7 6.2 28.6 4 4 A N T 34 S+ 0 0 126 -2,-0.6 4,-0.4 1,-0.3 -1,-0.3 0.758 124.5 37.9 -55.2 -24.5 40.3 2.7 30.0 5 5 A E T <> S+ 0 0 68 -3,-2.2 4,-1.3 2,-0.2 -1,-0.3 0.668 114.1 57.1 -96.0 -24.7 43.4 4.2 31.7 6 6 A I H >> S+ 0 0 73 2,-0.2 4,-2.1 1,-0.2 3,-0.6 0.956 106.3 47.7 -69.5 -50.1 41.5 7.4 32.4 7 7 A R H 3X S+ 0 0 130 -4,-4.1 4,-1.8 1,-0.3 -1,-0.2 0.868 110.9 53.1 -57.6 -36.9 38.8 5.6 34.3 8 8 A R H 3> S+ 0 0 105 -4,-0.4 4,-1.1 -5,-0.4 -1,-0.3 0.822 110.7 46.3 -68.4 -30.9 41.5 3.8 36.1 9 9 A L H X S+ 0 0 85 -4,-2.7 4,-1.9 2,-0.2 3,-1.4 0.988 112.5 43.7 -53.9 -74.2 35.6 12.9 60.0 26 26 A H H 3X S+ 0 0 4 -4,-2.2 4,-2.1 1,-0.3 -2,-0.2 0.848 110.5 57.9 -40.5 -45.8 38.2 11.3 62.3 27 27 A E H 3< S+ 0 0 55 -4,-2.9 -1,-0.3 -5,-0.3 -2,-0.2 0.902 107.9 45.3 -56.5 -42.4 40.0 14.6 62.6 28 28 A T H X< S+ 0 0 107 -4,-1.8 3,-0.9 -3,-1.4 -1,-0.2 0.846 111.4 53.7 -72.4 -31.4 36.9 16.4 64.0 29 29 A W H 3< S+ 0 0 43 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.825 109.5 47.8 -71.2 -30.5 36.2 13.5 66.4 30 30 A A T 3X S+ 0 0 0 -4,-2.1 4,-0.6 -5,-0.3 3,-0.5 0.353 82.7 124.3 -92.6 8.6 39.7 13.7 67.9 31 31 A Y T <4 S- 0 0 201 -3,-0.9 2,-0.4 1,-0.2 -3,-0.0 -0.447 86.6 -5.9 -69.2 142.7 39.6 17.4 68.3 32 32 A G T > S+ 0 0 19 1,-0.2 4,-2.7 -2,-0.1 -1,-0.2 0.232 98.5 114.3 60.0 -13.8 40.3 18.5 71.9 33 33 A K H > S+ 0 0 39 -3,-0.5 4,-2.0 -2,-0.4 5,-0.2 0.868 73.8 56.2 -55.3 -36.1 40.3 14.9 73.1 34 34 A E H X S+ 0 0 32 -4,-0.6 4,-1.8 2,-0.2 3,-0.4 0.959 108.1 46.0 -58.9 -52.4 43.9 15.2 74.0 35 35 A Q H > S+ 0 0 113 1,-0.3 4,-0.8 2,-0.2 3,-0.4 0.930 110.9 53.9 -57.6 -44.3 43.3 18.2 76.2 36 36 A I H < S+ 0 0 90 -4,-2.7 3,-0.3 1,-0.2 -1,-0.3 0.857 112.1 45.5 -59.7 -32.3 40.4 16.3 77.7 37 37 A L H < S+ 0 0 11 -4,-2.0 -1,-0.2 -3,-0.4 -2,-0.2 0.687 110.6 50.7 -85.6 -19.3 42.8 13.4 78.5 38 38 A L H < S+ 0 0 104 -4,-1.8 -1,-0.2 -3,-0.4 -2,-0.2 0.465 87.3 118.0 -95.6 0.9 45.6 15.5 79.9 39 39 A Q < - 0 0 111 -4,-0.8 2,-0.5 -3,-0.3 3,-0.1 -0.294 59.8-142.7 -65.5 149.5 43.2 17.3 82.2 40 40 A K + 0 0 122 1,-0.1 3,-0.1 2,-0.0 -1,-0.1 -0.730 46.9 136.9-117.1 80.9 43.7 17.0 86.0 41 41 A D + 0 0 49 -2,-0.5 -1,-0.1 1,-0.1 4,-0.1 0.095 62.4 62.2-111.0 21.5 40.1 16.8 87.5 42 42 A Y + 0 0 17 2,-0.1 -1,-0.1 3,-0.1 8,-0.1 0.470 69.1 90.9-126.6 -3.5 40.7 14.1 90.1 43 43 A E S S+ 0 0 77 1,-0.2 160,-0.2 -3,-0.1 -2,-0.1 0.765 104.6 28.8 -67.2 -24.0 43.3 15.3 92.5 44 44 A S S S+ 0 0 102 2,-0.0 -1,-0.2 161,-0.0 -2,-0.1 0.600 98.8 117.7-108.4 -17.0 40.6 16.8 94.8 45 45 A A - 0 0 4 1,-0.1 2,-0.2 -4,-0.1 -3,-0.1 0.150 60.1-118.6 -47.5 164.4 37.8 14.3 93.9 46 46 A S > - 0 0 39 1,-0.1 4,-2.5 78,-0.0 5,-0.4 -0.518 30.7 -99.5-102.7 170.5 36.2 11.9 96.4 47 47 A L H > S+ 0 0 22 2,-0.2 4,-1.6 77,-0.2 78,-0.1 0.895 127.3 48.4 -55.5 -37.5 36.0 8.1 96.4 48 48 A T H > S+ 0 0 111 2,-0.2 4,-1.2 3,-0.1 3,-0.5 1.000 112.1 44.7 -63.5 -70.8 32.6 8.5 94.9 49 49 A E H >> S+ 0 0 111 1,-0.3 3,-2.4 2,-0.2 4,-1.8 0.888 111.4 52.5 -39.6 -61.7 33.5 11.0 92.1 50 50 A V H 3X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.3 3,-0.3 0.911 106.5 55.0 -46.5 -45.5 36.6 9.2 91.0 51 51 A R H 3X S+ 0 0 91 -4,-1.6 4,-1.3 -3,-0.5 -1,-0.3 0.810 104.2 55.2 -60.8 -23.2 34.5 6.1 90.7 52 52 A A H X S+ 0 0 53 -4,-0.8 4,-2.1 2,-0.2 3,-1.0 0.969 110.9 44.9 -65.6 -52.0 32.6 5.2 77.8 60 60 A F H 3X S+ 0 0 27 -4,-2.2 4,-1.9 1,-0.3 -2,-0.2 0.896 112.0 53.1 -58.7 -40.5 35.5 7.1 76.2 61 61 A E H 3X S+ 0 0 59 -4,-1.6 4,-1.6 1,-0.2 -1,-0.3 0.690 108.8 49.8 -71.1 -15.9 37.5 3.9 75.9 62 62 A S H X S+ 0 0 20 -4,-1.9 3,-1.5 -5,-0.2 4,-0.9 0.990 104.3 50.6 -64.3 -65.2 38.0 4.8 71.1 65 65 A A H 3< S+ 0 0 75 -4,-1.6 4,-0.3 1,-0.3 -1,-0.2 0.686 107.9 60.1 -49.0 -18.3 38.2 1.1 70.4 66 66 A A H >< S+ 0 0 54 -4,-0.7 3,-0.8 1,-0.2 4,-0.4 0.855 101.2 49.2 -80.7 -37.5 35.5 1.7 67.9 67 67 A H H S+ 0 0 90 -3,-0.8 4,-2.6 -4,-0.3 -1,-0.2 0.948 104.4 51.4 -64.6 -51.6 38.7 0.6 62.4 70 70 A R H > S+ 0 0 109 -4,-0.4 4,-2.6 1,-0.2 -1,-0.2 0.888 110.2 52.9 -53.7 -38.5 38.2 4.1 60.9 71 71 A V H X S+ 0 0 8 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.926 108.8 46.6 -67.0 -43.4 41.9 4.6 61.5 72 72 A E H X S+ 0 0 113 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.863 112.0 52.0 -67.4 -32.1 43.0 1.4 59.7 73 73 A Q H X S+ 0 0 59 -4,-2.6 4,-2.4 2,-0.2 5,-0.3 0.981 109.2 49.5 -65.0 -53.0 40.7 2.2 56.8 74 74 A I H X S+ 0 0 0 -4,-2.6 4,-1.9 1,-0.3 5,-0.2 0.901 112.9 48.0 -49.0 -47.0 42.2 5.6 56.4 75 75 A A H X S+ 0 0 32 -4,-2.2 4,-1.8 1,-0.2 -1,-0.3 0.863 108.9 53.8 -63.0 -39.6 45.7 4.0 56.5 76 76 A A H X S+ 0 0 52 -4,-2.2 4,-2.5 -3,-0.2 -2,-0.2 0.927 109.2 46.9 -63.7 -46.4 44.7 1.4 53.9 77 77 A I H X S+ 0 0 15 -4,-2.4 4,-2.9 2,-0.2 5,-0.2 0.905 112.6 48.7 -64.1 -43.3 43.5 3.9 51.4 78 78 A A H X S+ 0 0 2 -4,-1.9 4,-1.1 -5,-0.3 -1,-0.2 0.849 111.2 53.9 -65.3 -30.5 46.6 6.1 51.8 79 79 A Q H X S+ 0 0 107 -4,-1.8 4,-1.9 -5,-0.2 -2,-0.2 0.939 110.2 44.2 -69.6 -44.4 48.5 3.0 51.4 80 80 A E H X S+ 0 0 59 -4,-2.5 4,-2.9 1,-0.2 5,-0.3 0.973 110.7 53.4 -63.0 -54.0 46.8 2.1 48.1 81 81 A L H <>S+ 0 0 0 -4,-2.9 5,-3.0 1,-0.2 -1,-0.2 0.764 109.5 50.8 -51.3 -28.2 47.1 5.6 46.8 82 82 A N H ><5S+ 0 0 56 -4,-1.1 3,-1.0 -5,-0.2 -1,-0.2 0.920 112.8 45.0 -75.4 -43.4 50.9 5.4 47.5 83 83 A E H 3<5S+ 0 0 135 -4,-1.9 -2,-0.2 1,-0.3 -3,-0.2 0.792 112.6 49.1 -72.1 -29.6 51.3 2.1 45.7 84 84 A L T 3<5S- 0 0 61 -4,-2.9 -1,-0.3 -5,-0.2 -2,-0.2 0.353 115.1-120.1 -90.8 10.2 49.2 3.2 42.7 85 85 A D T < 5 - 0 0 138 -3,-1.0 -3,-0.2 -5,-0.3 -2,-0.1 0.829 33.8-163.5 57.9 37.9 51.3 6.3 42.6 86 86 A Y > < - 0 0 10 -5,-3.0 3,-1.0 -6,-0.2 4,-0.1 -0.181 24.5-123.4 -44.7 148.4 48.5 8.7 43.1 87 87 A H T 3 S+ 0 0 149 1,-0.2 3,-0.2 2,-0.1 -1,-0.2 0.705 109.0 42.7 -74.9 -19.1 49.9 12.1 42.1 88 88 A D T 3> S+ 0 0 51 1,-0.1 4,-2.0 2,-0.1 -1,-0.2 -0.078 79.6 123.3-114.9 32.5 49.1 13.8 45.4 89 89 A A H <> + 0 0 11 -3,-1.0 4,-3.2 1,-0.2 5,-0.2 0.825 63.5 58.8 -67.5 -35.2 50.2 10.9 47.5 90 90 A V H > S+ 0 0 125 -3,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.911 109.3 48.6 -60.8 -40.4 52.8 12.6 49.6 91 91 A N H > S+ 0 0 98 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.971 114.5 41.4 -64.2 -56.4 50.0 14.9 50.8 92 92 A V H X S+ 0 0 2 -4,-2.0 4,-3.2 1,-0.2 5,-0.2 0.904 114.4 54.0 -61.0 -37.9 47.5 12.1 51.7 93 93 A N H X S+ 0 0 61 -4,-3.2 4,-3.1 1,-0.2 -1,-0.2 0.933 109.3 48.8 -60.0 -43.2 50.3 10.1 53.2 94 94 A D H X S+ 0 0 103 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.841 111.4 47.9 -64.0 -38.1 51.2 13.0 55.4 95 95 A R H X S+ 0 0 48 -4,-2.2 4,-1.9 2,-0.2 5,-0.2 0.955 113.6 48.4 -69.3 -48.3 47.6 13.6 56.5 96 96 A C H X S+ 0 0 10 -4,-3.2 4,-2.9 -5,-0.2 -2,-0.2 0.934 112.3 49.4 -56.0 -44.4 47.3 9.8 57.2 97 97 A Q H X S+ 0 0 90 -4,-3.1 4,-2.5 1,-0.2 -1,-0.2 0.866 107.9 51.7 -60.7 -41.6 50.6 9.9 59.1 98 98 A K H X S+ 0 0 127 -4,-1.9 4,-1.4 2,-0.2 -1,-0.2 0.829 113.4 48.0 -66.0 -30.4 49.7 12.9 61.3 99 99 A I H X S+ 0 0 2 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.931 112.1 46.1 -74.2 -48.3 46.4 10.9 62.1 100 100 A C H X S+ 0 0 31 -4,-2.9 4,-2.3 2,-0.2 -2,-0.2 0.888 110.7 53.7 -63.7 -37.1 48.1 7.7 62.9 101 101 A D H X S+ 0 0 79 -4,-2.5 4,-1.6 1,-0.2 -1,-0.2 0.926 109.9 48.1 -63.6 -42.1 50.7 9.4 65.1 102 102 A Q H X S+ 0 0 29 -4,-1.4 4,-2.7 2,-0.2 5,-0.3 0.909 106.2 58.3 -63.1 -41.6 47.9 11.1 67.0 103 103 A W H X S+ 0 0 23 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.974 103.5 51.7 -54.6 -51.7 46.2 7.8 67.4 104 104 A D H X S+ 0 0 110 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.882 111.0 47.9 -55.2 -37.0 49.2 6.3 69.1 105 105 A R H X S+ 0 0 123 -4,-1.6 4,-3.3 2,-0.2 5,-0.3 0.916 106.2 55.2 -69.6 -41.6 49.3 9.2 71.6 106 106 A L H X S+ 0 0 2 -4,-2.7 4,-3.3 1,-0.2 5,-0.3 0.938 108.0 54.1 -54.8 -40.5 45.6 9.0 72.4 107 107 A G H X S+ 0 0 37 -4,-2.5 4,-2.5 -5,-0.3 5,-0.3 0.972 111.9 41.6 -55.5 -57.2 46.4 5.5 73.2 108 108 A T H X S+ 0 0 85 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.973 116.8 46.7 -55.1 -62.8 49.2 6.5 75.6 109 109 A L H X S+ 0 0 32 -4,-3.3 4,-2.7 1,-0.2 3,-0.3 0.919 112.2 51.6 -46.3 -51.5 47.2 9.3 77.2 110 110 A T H X S+ 0 0 4 -4,-3.3 4,-2.0 -5,-0.3 -1,-0.2 0.927 110.3 46.6 -54.9 -49.1 44.2 7.2 77.6 111 111 A Q H X S+ 0 0 107 -4,-2.5 4,-1.5 -5,-0.3 -1,-0.3 0.825 112.8 54.2 -62.7 -28.5 46.0 4.4 79.3 112 112 A K H X S+ 0 0 119 -4,-2.2 4,-2.5 -3,-0.3 -2,-0.2 0.915 104.8 49.9 -71.5 -45.1 47.6 7.1 81.4 113 113 A R H X S+ 0 0 31 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.887 109.9 53.2 -61.4 -38.3 44.3 8.7 82.6 114 114 A R H X S+ 0 0 54 -4,-2.0 4,-2.7 -5,-0.3 -1,-0.2 0.902 109.5 47.8 -63.6 -41.3 43.1 5.2 83.6 115 115 A E H X S+ 0 0 63 -4,-1.5 4,-1.5 2,-0.2 5,-0.2 0.908 109.9 50.8 -68.4 -40.7 46.2 4.5 85.7 116 116 A A H X S+ 0 0 12 -4,-2.5 4,-1.5 1,-0.2 -1,-0.2 0.908 115.7 45.1 -63.5 -36.0 46.0 7.9 87.4 117 117 A L H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.889 109.1 53.1 -71.1 -43.4 42.3 7.1 88.2 118 118 A E H X S+ 0 0 100 -4,-2.7 4,-0.9 1,-0.2 -1,-0.2 0.772 114.6 43.6 -65.5 -23.7 42.8 3.5 89.3 119 119 A R H X S+ 0 0 141 -4,-1.5 4,-2.0 2,-0.2 -1,-0.2 0.776 110.4 52.7 -92.0 -29.2 45.4 4.7 91.8 120 120 A M H X S+ 0 0 3 -4,-1.5 4,-2.5 -5,-0.2 -2,-0.2 0.837 108.5 53.9 -72.4 -28.4 43.5 7.7 93.0 121 121 A E H X S+ 0 0 51 -4,-2.1 4,-3.6 1,-0.2 -1,-0.2 0.910 108.2 48.8 -69.9 -40.6 40.6 5.3 93.7 122 122 A K H X S+ 0 0 150 -4,-0.9 4,-2.9 2,-0.2 -2,-0.2 0.866 112.5 47.0 -67.7 -37.5 42.9 3.1 95.7 123 123 A L H X S+ 0 0 41 -4,-2.0 4,-3.0 2,-0.2 5,-0.3 0.995 117.7 43.1 -67.0 -57.2 44.2 6.0 97.8 124 124 A L H X S+ 0 0 19 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.904 116.8 46.6 -52.3 -46.9 40.7 7.2 98.3 125 125 A E H X S+ 0 0 67 -4,-3.6 4,-2.6 2,-0.2 5,-0.3 0.984 112.7 50.5 -57.6 -58.6 39.4 3.7 99.0 126 126 A T H X S+ 0 0 51 -4,-2.9 4,-1.6 1,-0.2 -2,-0.2 0.886 109.1 50.6 -43.4 -55.9 42.3 3.0 101.4 127 127 A I H >X S+ 0 0 19 -4,-3.0 4,-2.5 1,-0.2 3,-0.6 0.937 110.7 50.6 -50.1 -51.5 41.7 6.2 103.3 128 128 A D H 3X S+ 0 0 33 -4,-2.2 4,-2.6 -5,-0.3 5,-0.2 0.957 107.0 52.3 -52.5 -56.4 38.0 5.4 103.6 129 129 A Q H 3X S+ 0 0 108 -4,-2.6 4,-1.3 1,-0.2 -1,-0.3 0.766 111.1 49.4 -55.9 -25.8 38.7 1.8 104.9 130 130 A L H S+ 0 0 93 -4,-1.3 4,-2.1 -5,-0.2 5,-0.6 0.977 107.5 54.4 -52.0 -66.2 38.0 1.3 111.3 134 134 A F H X5S+ 0 0 3 -4,-2.6 4,-2.1 1,-0.3 -1,-0.2 0.854 114.9 41.6 -33.6 -55.4 39.0 4.1 113.5 135 135 A A H X5S+ 0 0 13 -4,-2.5 4,-1.4 2,-0.2 -1,-0.3 0.894 110.6 57.4 -63.2 -40.6 35.3 4.9 114.1 136 136 A K H <5S+ 0 0 134 -4,-3.0 3,-0.3 -3,-0.5 -2,-0.2 0.946 120.1 28.7 -55.1 -52.4 34.3 1.2 114.4 137 137 A R H X5S+ 0 0 53 -4,-2.1 4,-1.3 1,-0.2 -1,-0.2 0.706 114.9 64.5 -82.0 -21.8 36.8 0.6 117.3 138 138 A A H X S+ 0 0 70 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.928 113.9 53.9 -54.9 -40.1 33.1 1.1 121.9 141 141 A F H X S+ 0 0 10 -4,-1.3 4,-2.4 1,-0.2 5,-0.3 0.949 104.2 51.6 -58.1 -53.0 36.2 2.8 123.4 142 142 A N H X S+ 0 0 24 -4,-1.8 4,-1.2 1,-0.2 -1,-0.2 0.910 111.4 52.5 -50.0 -42.9 34.4 6.1 123.9 143 143 A N H >X S+ 0 0 106 -4,-2.2 4,-3.4 2,-0.2 3,-2.6 0.987 106.7 48.0 -55.6 -69.6 31.8 3.9 125.7 144 144 A W H 3< S+ 0 0 73 -4,-2.4 4,-0.3 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> - 0 0 22 3,-0.2 3,-0.6 1,-0.1 -1,-0.1 -0.684 20.5-162.5 -84.0 119.6 36.4 11.3 110.0 211 211 A P T 3 S+ 0 0 99 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.530 92.6 52.9 -74.3 -7.7 32.9 11.5 108.4 212 212 A Y T 3 S+ 0 0 117 1,-0.2 2,-0.4 -81,-0.0 -2,-0.0 0.587 110.5 47.5-102.7 -16.5 32.0 8.2 110.0 213 213 A S < - 0 0 23 -3,-0.6 -3,-0.2 1,-0.1 -1,-0.2 -0.985 48.5-172.7-131.9 137.8 32.9 9.2 113.6 214 214 A T S S+ 0 0 131 -2,-0.4 2,-0.5 -79,-0.1 -1,-0.1 0.765 73.4 85.5 -93.9 -32.7 32.1 12.3 115.7 215 215 A V S S- 0 0 13 -80,-0.1 2,-0.1 4,-0.1 -5,-0.1 -0.601 75.1-154.4 -69.1 119.0 34.4 11.3 118.5 216 216 A T > - 0 0 65 -2,-0.5 4,-0.5 1,-0.1 -2,-0.1 -0.386 23.9-114.2 -86.9 173.8 37.7 12.7 117.4 217 217 A M H > S+ 0 0 25 2,-0.2 4,-0.9 3,-0.1 5,-0.1 0.783 113.5 58.9 -78.9 -28.5 41.0 11.2 118.5 218 218 A D H >> S+ 0 0 120 1,-0.2 3,-2.1 2,-0.2 4,-1.9 0.997 110.8 39.2 -60.6 -64.5 41.9 14.4 120.4 219 219 A E H 3> S+ 0 0 73 1,-0.3 4,-1.5 2,-0.2 -1,-0.2 0.685 109.5 64.9 -59.4 -18.0 38.8 14.3 122.6 220 220 A L H 3X S+ 0 0 1 -4,-0.5 4,-0.9 2,-0.2 -1,-0.3 0.730 104.5 44.1 -78.2 -21.7 39.3 10.5 122.8 221 221 A R H X S+ 0 0 14 -4,-1.7 4,-2.1 -3,-0.2 3,-0.6 0.905 90.2 75.0 -86.0 -44.1 40.2 9.2 138.6 231 231 A V H 3X S+ 0 0 11 -4,-1.7 4,-1.8 1,-0.3 -2,-0.2 0.807 102.2 43.3 -33.7 -46.2 41.7 5.8 139.4 232 232 A P H 3> S+ 0 0 62 0, 0.0 4,-1.8 0, 0.0 -1,-0.3 0.908 108.7 54.3 -71.1 -43.8 43.7 7.4 142.2 233 233 A I H X S+ 0 0 109 -4,-1.8 4,-2.9 1,-0.2 3,-0.8 0.969 112.3 44.5 -47.8 -69.4 41.7 7.1 148.5 237 237 A S H 3X S+ 0 0 45 -4,-1.5 4,-1.2 1,-0.3 -1,-0.2 0.843 115.1 48.3 -47.8 -43.8 38.0 7.1 149.1 238 238 A L H 3X S+ 0 0 1 -4,-3.0 4,-1.4 2,-0.2 -1,-0.3 0.833 112.6 49.7 -70.4 -29.1 37.7 3.4 149.1 239 239 A Q H XX S+ 0 0 125 -4,-2.4 4,-2.3 -3,-0.8 3,-1.1 0.993 109.0 51.0 -66.9 -61.6 40.7 3.2 151.5 240 240 A E H 3< S+ 0 0 97 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.706 106.7 56.1 -47.1 -26.8 39.1 5.7 153.8 241 241 A E H >X S+ 0 0 36 -4,-1.2 3,-0.9 -5,-0.3 4,-0.8 0.891 106.4 48.2 -76.0 -39.8 35.9 3.7 153.8 242 242 A L H XX S+ 0 0 58 -4,-1.4 4,-2.0 -3,-1.1 2,-1.1 0.903 102.2 66.0 -63.5 -38.9 37.7 0.5 155.0 243 243 A A H 3< S+ 0 0 69 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.1 -0.013 108.9 38.9 -73.8 34.5 39.3 2.8 157.6 244 244 A R H <4 S+ 0 0 153 -2,-1.1 -1,-0.3 -3,-0.9 -2,-0.2 0.314 109.0 56.3-154.7 -18.8 35.8 3.2 159.1 245 245 A Q H << S+ 0 0 24 -3,-1.1 3,-0.3 -4,-0.8 -84,-0.2 0.724 118.2 35.7 -91.8 -28.1 34.4 -0.3 158.7 246 246 A H S < S+ 0 0 129 -4,-2.0 -1,-0.1 1,-0.2 -3,-0.1 0.371 113.4 64.1 -99.2 0.1 37.2 -1.8 160.7 247 247 A A 0 0 57 -5,-0.3 -2,-0.2 1,-0.2 -1,-0.2 0.294 360.0 360.0-102.2 4.8 37.1 1.4 162.7 248 248 A N 0 0 168 -3,-0.3 -1,-0.2 0, 0.0 -2,-0.1 -0.203 360.0 360.0-154.6 360.0 33.6 0.6 164.0