==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL BINDING PROTEIN 20-AUG-03 1Q80 . COMPND 2 MOLECULE: SARCOPLASMIC CALCIUM-BINDING PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: NEANTHES DIVERSICOLOR; . AUTHOR G.RABAH,R.POPESCU,J.A.COX,Y.ENGELBORGHS,C.T.CRAESCU . 174 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8721.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 123 70.7 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 . 5 2.9 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 . 8 4.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 82 47.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 3.4 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 1 0 0 1 1 0 2 0 1 2 1 0 0 0 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 . 1 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 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 1 A S > 0 0 68 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 109.2 9.0 19.5 -1.0 2 2 A D H > + 0 0 131 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.904 360.0 51.0 -56.4 -49.1 8.4 18.5 -4.7 3 3 A L H > S+ 0 0 58 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.928 111.7 48.7 -58.5 -45.5 8.6 14.7 -3.9 4 4 A W H > S+ 0 0 9 2,-0.2 4,-2.5 1,-0.2 5,-0.4 0.949 112.7 45.3 -61.1 -55.0 6.0 15.1 -1.0 5 5 A V H X S+ 0 0 49 -4,-2.5 4,-2.1 3,-0.2 5,-0.2 0.909 116.3 48.2 -58.1 -40.5 3.4 17.2 -3.1 6 6 A Q H X S+ 0 0 77 -4,-2.4 4,-1.9 -5,-0.2 168,-0.5 0.965 117.9 37.8 -64.2 -53.9 3.8 14.6 -6.1 7 7 A K H X S+ 0 0 5 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.919 120.6 45.2 -67.9 -41.8 3.4 11.3 -3.9 8 8 A M H X S+ 0 0 2 -4,-2.5 4,-2.6 -5,-0.3 -1,-0.2 0.890 113.2 50.0 -69.5 -39.2 0.6 12.8 -1.5 9 9 A K H X S+ 0 0 66 -4,-2.1 4,-2.7 -5,-0.4 5,-0.3 0.893 109.0 55.9 -61.4 -38.1 -1.3 14.3 -4.6 10 10 A T H X S+ 0 0 2 -4,-1.9 4,-2.1 -5,-0.2 -2,-0.2 0.978 110.5 42.9 -52.0 -58.1 -0.9 10.7 -6.2 11 11 A Y H X S+ 0 0 4 -4,-2.3 4,-2.9 2,-0.2 5,-0.2 0.908 114.9 49.7 -57.2 -48.5 -2.7 9.1 -3.0 12 12 A F H X S+ 0 0 10 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.951 114.3 43.7 -56.1 -54.7 -5.5 12.0 -2.9 13 13 A N H < S+ 0 0 88 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.800 118.9 44.9 -61.2 -32.8 -6.3 11.6 -6.7 14 14 A R H < S+ 0 0 34 -4,-2.1 -2,-0.2 -5,-0.3 -1,-0.2 0.859 115.9 45.5 -79.4 -39.2 -6.3 7.7 -6.4 15 15 A I H < S+ 0 0 1 -4,-2.9 2,-2.6 -5,-0.2 3,-0.3 0.756 88.0 85.3 -78.6 -25.1 -8.3 7.5 -3.1 16 16 A D >< + 0 0 37 -4,-2.1 3,-0.7 -5,-0.2 -1,-0.2 -0.327 53.2 150.2 -73.9 64.1 -11.2 10.1 -4.0 17 17 A F T 3 + 0 0 58 -2,-2.6 -1,-0.2 1,-0.2 -2,-0.1 0.874 63.6 55.4 -65.6 -40.3 -13.1 7.1 -5.8 18 18 A D T 3 S- 0 0 37 -3,-0.3 -1,-0.2 4,-0.1 -2,-0.1 0.631 100.3-135.8 -69.9 -13.9 -16.7 8.5 -5.2 19 19 A K < + 0 0 158 -3,-0.7 -2,-0.1 1,-0.1 -1,-0.1 0.524 65.5 127.8 67.7 10.0 -15.7 11.9 -7.0 20 20 A D S S- 0 0 84 2,-0.2 3,-0.1 1,-0.1 -1,-0.1 0.769 81.1-113.1 -64.7 -17.5 -17.4 14.4 -4.3 21 21 A G S S+ 0 0 39 1,-0.2 51,-0.5 -5,-0.1 2,-0.3 0.387 88.9 76.9 98.7 -1.3 -13.9 16.2 -4.2 22 22 A A E S-A 71 0A 19 49,-0.2 2,-0.8 50,-0.1 49,-0.3 -0.992 84.1-114.5-140.2 148.3 -13.1 15.2 -0.5 23 23 A I E +A 70 0A 4 47,-2.8 47,-1.4 -2,-0.3 2,-0.2 -0.723 63.1 138.8 -82.7 110.1 -11.8 12.0 1.3 24 24 A T S > S- 0 0 15 -2,-0.8 4,-1.2 45,-0.2 3,-0.5 -0.816 72.3 -79.0-140.6 179.9 -15.0 11.1 3.5 25 25 A R H > S+ 0 0 85 -2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.860 123.7 65.4 -54.0 -34.6 -17.1 8.0 4.6 26 26 A M H > S+ 0 0 85 2,-0.2 4,-3.0 1,-0.2 5,-0.3 0.908 99.0 50.5 -55.4 -48.3 -18.8 8.2 1.1 27 27 A D H > S+ 0 0 2 -3,-0.5 4,-2.9 -5,-0.2 5,-0.2 0.928 113.0 45.7 -58.8 -46.0 -15.5 7.2 -0.8 28 28 A F H X S+ 0 0 0 -4,-1.2 4,-2.2 2,-0.2 -2,-0.2 0.913 119.8 38.9 -64.1 -47.1 -14.8 4.2 1.5 29 29 A E H X S+ 0 0 68 -4,-2.5 4,-1.9 2,-0.2 5,-0.3 0.949 120.5 45.7 -69.8 -47.6 -18.5 2.8 1.3 30 30 A S H X S+ 0 0 48 -4,-3.0 4,-2.4 -5,-0.2 5,-0.2 0.924 115.2 48.7 -58.7 -48.3 -18.9 3.7 -2.5 31 31 A M H X S+ 0 0 7 -4,-2.9 4,-3.1 -5,-0.3 5,-0.3 0.923 108.6 54.6 -58.8 -47.8 -15.3 2.2 -3.2 32 32 A A H X S+ 0 0 1 -4,-2.2 4,-2.5 -5,-0.2 5,-0.2 0.968 116.4 34.2 -54.4 -59.4 -16.2 -1.1 -1.2 33 33 A E H X S+ 0 0 137 -4,-1.9 4,-1.7 1,-0.2 -2,-0.2 0.908 122.9 46.4 -64.6 -41.3 -19.5 -1.9 -3.2 34 34 A R H X S+ 0 0 137 -4,-2.4 4,-2.0 -5,-0.3 -1,-0.2 0.878 113.6 49.2 -68.0 -36.8 -18.0 -0.6 -6.6 35 35 A F H X S+ 0 0 7 -4,-3.1 4,-0.9 -5,-0.2 -2,-0.2 0.959 112.1 48.8 -64.6 -50.3 -14.6 -2.5 -6.1 36 36 A A H < S+ 0 0 26 -4,-2.5 -2,-0.2 -5,-0.3 5,-0.2 0.841 118.9 39.1 -56.0 -38.5 -16.5 -5.8 -5.2 37 37 A K H < S+ 0 0 148 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.788 108.2 57.3 -84.9 -33.3 -18.8 -5.5 -8.4 38 38 A E H < S+ 0 0 90 -4,-2.0 2,-0.2 -5,-0.1 -2,-0.1 0.742 103.3 39.1 -77.7 -27.7 -16.4 -4.1 -11.3 39 39 A S S < S- 0 0 38 -4,-0.9 2,-0.8 1,-0.0 80,-0.0 -0.717 92.3 -82.5-120.1 175.0 -13.5 -6.8 -11.5 40 40 A E S S+ 0 0 181 -2,-0.2 2,-0.3 2,-0.0 78,-0.1 -0.626 71.4 129.7 -77.9 106.9 -12.9 -10.7 -11.3 41 41 A M - 0 0 40 -2,-0.8 2,-1.0 -5,-0.2 65,-0.2 -0.935 68.6 -68.2-150.2 171.1 -12.7 -11.6 -7.5 42 42 A K > - 0 0 98 63,-2.6 3,-2.5 -2,-0.3 65,-0.1 -0.558 48.8-137.7 -70.8 100.1 -14.0 -14.0 -4.7 43 43 A A T > S+ 0 0 86 -2,-1.0 3,-1.0 1,-0.3 -1,-0.1 0.645 94.4 65.6 -25.5 -47.6 -17.8 -12.9 -4.5 44 44 A E T >> S+ 0 0 119 1,-0.2 3,-1.1 2,-0.1 4,-0.5 0.720 75.7 90.9 -52.3 -31.5 -18.0 -13.0 -0.6 45 45 A H H <> + 0 0 9 -3,-2.5 4,-3.3 1,-0.2 -1,-0.2 0.605 60.2 85.4 -46.3 -23.6 -15.5 -10.1 -0.1 46 46 A A H <> S+ 0 0 39 -3,-1.0 4,-2.8 1,-0.2 -1,-0.2 0.863 95.0 42.4 -50.9 -44.5 -18.1 -7.2 -0.1 47 47 A K H <> S+ 0 0 139 -3,-1.1 4,-2.3 2,-0.2 -1,-0.2 0.946 118.7 45.1 -65.9 -49.5 -18.8 -7.6 3.8 48 48 A V H X S+ 0 0 47 -4,-0.5 4,-2.5 2,-0.2 5,-0.2 0.930 116.5 46.9 -55.6 -49.7 -14.9 -8.0 4.5 49 49 A L H X S+ 0 0 6 -4,-3.3 4,-2.7 2,-0.2 5,-0.3 0.989 112.7 48.0 -59.1 -60.0 -14.2 -5.0 2.2 50 50 A M H X S+ 0 0 60 -4,-2.8 4,-2.3 -5,-0.2 5,-0.2 0.841 112.6 51.2 -52.9 -36.4 -17.0 -2.8 3.8 51 51 A D H X S+ 0 0 76 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.953 115.1 39.3 -67.8 -50.4 -15.7 -3.7 7.3 52 52 A S H X S+ 0 0 14 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.911 119.4 48.2 -67.8 -37.4 -11.9 -2.8 6.6 53 53 A L H X S+ 0 0 3 -4,-2.7 4,-1.7 2,-0.2 -2,-0.2 0.923 113.6 45.1 -67.7 -47.6 -13.0 0.4 4.5 54 54 A T H X S+ 0 0 24 -4,-2.3 4,-2.4 -5,-0.3 5,-0.2 0.929 114.8 51.6 -60.9 -41.5 -15.5 1.7 7.2 55 55 A G H X S+ 0 0 10 -4,-2.3 4,-2.5 -5,-0.2 5,-0.5 0.899 105.2 54.5 -60.6 -44.3 -12.6 0.9 9.8 56 56 A V H X>S+ 0 0 1 -4,-2.5 5,-2.1 3,-0.2 4,-1.1 0.914 117.9 36.0 -55.3 -48.6 -9.9 2.9 7.8 57 57 A W H <>S+ 0 0 9 -4,-1.7 5,-2.2 3,-0.2 3,-0.5 0.996 121.8 44.5 -69.7 -60.2 -12.2 6.1 7.9 58 58 A D H <5S+ 0 0 78 -4,-2.4 -3,-0.2 1,-0.2 -2,-0.2 0.786 125.2 30.0 -52.2 -46.2 -13.8 5.5 11.5 59 59 A N H <5S+ 0 0 120 -4,-2.5 -1,-0.2 -5,-0.2 -3,-0.2 0.680 136.8 8.9 -90.9 -21.8 -10.4 4.6 13.4 60 60 A F T ><5S+ 0 0 59 -4,-1.1 3,-1.1 -3,-0.5 4,-0.2 0.701 123.3 41.0-127.3 -65.0 -7.8 6.7 11.3 61 61 A L G > 5S- 0 0 43 -4,-0.5 3,-0.8 3,-0.4 -1,-0.2 0.107 108.1-111.8-104.1 20.9 -11.0 17.0 10.9 66 66 A G T 3 5S- 0 0 60 -4,-0.4 -3,-0.2 1,-0.2 -4,-0.1 0.719 89.0 -20.2 58.0 21.2 -12.7 15.2 14.0 67 67 A G T 3 -A 22 0A 63 -2,-0.4 4,-2.8 -49,-0.3 5,-0.2 -0.292 37.2-102.8 -77.7 167.5 -10.4 18.4 0.7 72 72 A E H > S+ 0 0 46 -51,-0.5 4,-2.7 2,-0.2 5,-0.2 0.896 123.4 51.0 -60.2 -37.0 -6.9 18.4 -1.2 73 73 A T H > S+ 0 0 110 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.964 114.3 41.8 -60.6 -55.3 -6.0 21.8 0.5 74 74 A T H > S+ 0 0 60 2,-0.2 4,-2.5 1,-0.2 5,-0.4 0.889 115.4 51.6 -61.7 -42.2 -6.8 20.5 4.1 75 75 A F H X S+ 0 0 13 -4,-2.8 4,-2.3 2,-0.2 5,-0.4 0.962 116.3 39.2 -59.9 -52.8 -5.1 17.1 3.3 76 76 A I H X S+ 0 0 36 -4,-2.7 4,-2.2 -5,-0.2 5,-0.3 0.946 120.1 45.7 -64.5 -49.7 -1.7 18.8 2.0 77 77 A N H X S+ 0 0 136 -4,-3.0 4,-1.1 -5,-0.2 5,-0.2 0.937 120.5 38.2 -58.6 -52.6 -1.8 21.6 4.9 78 78 A S H X S+ 0 0 34 -4,-2.5 4,-2.0 -5,-0.2 -2,-0.2 0.953 122.8 39.9 -66.5 -52.4 -2.6 19.1 7.8 79 79 A M H X S+ 0 0 12 -4,-2.3 4,-1.9 -5,-0.4 -3,-0.2 0.884 110.0 58.1 -69.9 -38.5 -0.4 16.1 6.7 80 80 A K H < S+ 0 0 72 -4,-2.2 4,-0.3 -5,-0.4 -1,-0.2 0.879 116.3 35.4 -59.7 -39.2 2.7 18.2 5.4 81 81 A E H >< S+ 0 0 107 -4,-1.1 3,-1.3 -5,-0.3 4,-0.3 0.899 114.6 56.7 -79.9 -42.2 3.2 19.8 8.9 82 82 A M H >< S+ 0 0 93 -4,-2.0 3,-0.8 1,-0.2 6,-0.3 0.797 98.3 62.2 -60.0 -29.3 2.1 16.6 11.0 83 83 A V T 3< S+ 0 0 40 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.1 0.722 88.8 71.0 -70.2 -20.0 4.9 14.4 9.2 84 84 A K T < S+ 0 0 147 -3,-1.3 -1,-0.2 -4,-0.3 -2,-0.1 0.610 81.0 84.3 -70.9 -10.5 7.7 16.7 10.8 85 85 A N S X S- 0 0 83 -3,-0.8 3,-1.1 -4,-0.3 4,-0.2 -0.841 78.4-145.2 -86.9 112.9 6.9 15.3 14.3 86 86 A P T 3 S+ 0 0 100 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 0.726 96.2 45.7 -58.8 -20.8 8.9 11.9 14.6 87 87 A E T 3 S+ 0 0 143 1,-0.1 3,-0.4 2,-0.1 -4,-0.1 0.481 85.1 84.7-104.3 -0.7 6.0 10.3 16.7 88 88 A A X> + 0 0 17 -3,-1.1 3,-1.2 -6,-0.3 4,-0.8 0.483 60.4 112.8 -76.8 3.6 2.8 11.2 14.6 89 89 A K H >> + 0 0 74 -3,-0.2 4,-3.3 1,-0.2 3,-1.2 0.809 63.4 58.3 -41.3 -54.6 3.4 8.1 12.4 90 90 A S H 3> S+ 0 0 66 -3,-0.4 4,-2.0 1,-0.2 -1,-0.2 0.765 99.1 57.7 -59.6 -29.5 0.3 5.9 13.3 91 91 A V H <4 S+ 0 0 67 -3,-1.2 -1,-0.2 2,-0.2 -2,-0.2 0.839 121.2 30.2 -69.0 -28.9 -2.3 8.6 12.3 92 92 A V H << S+ 0 0 13 -3,-1.2 -2,-0.2 -4,-0.8 -1,-0.2 0.806 126.0 43.7 -94.8 -36.6 -0.7 8.5 8.7 93 93 A E H >< S+ 0 0 52 -4,-3.3 3,-2.2 1,-0.2 -3,-0.2 0.818 89.9 89.7 -77.8 -30.0 0.5 4.7 8.7 94 94 A G T 3X S+ 0 0 6 -4,-2.0 4,-0.6 -5,-0.3 -1,-0.2 0.685 75.7 63.4 -40.1 -40.3 -2.8 3.2 10.2 95 95 A P H 3> S+ 0 0 3 0, 0.0 4,-2.4 0, 0.0 -1,-0.3 0.729 85.3 77.0 -62.2 -22.6 -4.7 2.6 6.8 96 96 A L H <> S+ 0 0 4 -3,-2.2 4,-2.2 2,-0.2 -2,-0.1 0.932 92.8 47.1 -57.6 -53.3 -2.0 -0.1 5.6 97 97 A P H > S+ 0 0 57 0, 0.0 4,-1.0 0, 0.0 -1,-0.2 0.871 118.7 41.5 -55.9 -39.0 -3.2 -3.2 7.8 98 98 A L H X S+ 0 0 51 -4,-0.6 4,-0.9 2,-0.2 -2,-0.2 0.838 113.9 52.3 -77.8 -34.4 -7.0 -2.6 6.9 99 99 A F H X S+ 0 0 6 -4,-2.4 4,-2.3 2,-0.2 5,-0.2 0.843 101.7 63.0 -65.3 -34.9 -6.1 -1.8 3.1 100 100 A F H X S+ 0 0 4 -4,-2.2 4,-1.0 1,-0.2 -2,-0.2 0.943 105.8 42.8 -54.1 -52.2 -4.1 -5.2 2.9 101 101 A R H < S+ 0 0 59 -4,-1.0 -1,-0.2 1,-0.2 -2,-0.2 0.745 111.9 57.2 -67.0 -25.1 -7.3 -7.3 3.6 102 102 A A H < S+ 0 0 9 -4,-0.9 -2,-0.2 1,-0.2 -1,-0.2 0.931 108.5 43.6 -69.6 -49.0 -9.3 -5.0 1.1 103 103 A V H < S+ 0 0 3 -4,-2.3 2,-2.8 1,-0.2 -2,-0.2 0.693 85.7 103.0 -69.1 -20.1 -6.9 -5.7 -1.9 104 104 A D >< + 0 0 0 -4,-1.0 3,-2.0 -5,-0.2 4,-0.2 -0.150 41.2 160.0 -63.2 54.9 -6.9 -9.6 -1.0 105 105 A T T 3 + 0 0 12 -2,-2.8 -63,-2.6 1,-0.3 -1,-0.2 0.592 66.6 56.8 -55.0 -20.1 -9.3 -10.5 -3.9 106 106 A N T 3 S- 0 0 58 4,-0.2 -1,-0.3 -65,-0.2 -2,-0.1 0.590 105.9-122.4 -88.4 -14.8 -8.3 -14.3 -3.9 107 107 A E S < S+ 0 0 91 -3,-2.0 -2,-0.1 -6,-0.1 -6,-0.0 0.920 80.7 107.0 68.3 50.2 -9.1 -15.0 -0.1 108 108 A D S S- 0 0 90 2,-0.2 3,-0.1 -4,-0.2 -3,-0.1 0.588 85.3-115.7-124.8 -23.4 -5.6 -16.2 1.0 109 109 A N S S+ 0 0 81 1,-0.2 38,-0.3 -5,-0.1 2,-0.3 0.601 93.0 84.5 83.5 18.9 -4.1 -13.3 3.2 110 110 A N S S- 0 0 55 36,-0.1 2,-0.4 -9,-0.1 36,-0.2 -0.974 73.3-137.6-145.2 134.3 -1.2 -12.7 0.6 111 111 A I B -B 145 0B 0 34,-2.2 34,-2.8 -2,-0.3 2,-0.1 -0.790 17.6-150.3-100.0 131.8 -1.7 -10.4 -2.7 112 112 A S > - 0 0 28 -2,-0.4 4,-2.5 32,-0.2 5,-0.2 -0.390 29.4 -98.6 -94.5 172.8 -0.2 -11.6 -6.1 113 113 A R H > S+ 0 0 101 30,-0.5 4,-1.8 1,-0.2 21,-0.1 0.920 123.0 41.6 -58.0 -49.0 1.1 -9.6 -9.2 114 114 A D H > S+ 0 0 65 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.796 113.1 55.4 -72.3 -26.5 -2.2 -9.8 -11.4 115 115 A E H > S+ 0 0 28 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.955 111.3 43.6 -66.4 -49.5 -4.4 -9.1 -8.1 116 116 A Y H X S+ 0 0 1 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.879 113.3 54.5 -58.2 -38.2 -2.4 -5.9 -7.5 117 117 A G H X S+ 0 0 0 -4,-1.8 4,-2.8 -5,-0.2 -2,-0.2 0.876 105.9 49.3 -62.1 -44.0 -2.8 -5.3 -11.4 118 118 A I H X S+ 0 0 40 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.899 110.3 52.4 -64.1 -40.5 -6.7 -5.6 -11.1 119 119 A F H X S+ 0 0 5 -4,-2.2 4,-1.7 2,-0.2 3,-0.2 0.980 112.2 45.3 -54.6 -54.0 -6.5 -3.0 -8.1 120 120 A F H X>S+ 0 0 1 -4,-2.5 5,-1.9 1,-0.2 4,-0.8 0.914 110.7 54.6 -53.8 -48.4 -4.4 -0.7 -10.6 121 121 A G H ><5S+ 0 0 39 -4,-2.8 3,-0.8 3,-0.2 -1,-0.2 0.887 105.9 51.6 -53.2 -44.4 -7.1 -1.4 -13.4 122 122 A M H 3<5S+ 0 0 38 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.887 107.6 51.5 -62.1 -42.5 -10.0 -0.2 -11.1 123 123 A L H 3<5S- 0 0 39 -4,-1.7 -1,-0.2 -5,-0.1 -2,-0.2 0.651 130.4 -98.7 -63.6 -16.8 -8.1 3.1 -10.3 124 124 A G T <<5S+ 0 0 64 -4,-0.8 2,-0.2 -3,-0.8 -3,-0.2 0.756 81.4 127.7 99.6 36.0 -7.8 3.6 -14.2 125 125 A L < - 0 0 30 -5,-1.9 2,-0.4 -8,-0.2 -1,-0.3 -0.770 60.3-104.1-120.0 163.1 -4.1 2.2 -14.7 126 126 A D >> - 0 0 101 -2,-0.2 3,-1.9 1,-0.1 4,-0.6 -0.692 21.4-131.3 -89.1 136.5 -2.3 -0.4 -17.0 127 127 A K G >4 S+ 0 0 85 -2,-0.4 3,-0.9 1,-0.3 -1,-0.1 0.822 104.5 69.6 -54.4 -33.8 -1.2 -3.8 -15.5 128 128 A T G 34 S+ 0 0 123 1,-0.2 4,-0.3 2,-0.2 -1,-0.3 0.755 96.8 53.9 -56.1 -26.9 2.4 -3.3 -17.1 129 129 A M G X> S+ 0 0 82 -3,-1.9 3,-0.8 1,-0.2 4,-0.6 0.779 89.7 77.8 -77.8 -29.4 2.9 -0.4 -14.5 130 130 A A H XX S+ 0 0 1 -3,-0.9 4,-2.8 -4,-0.6 3,-1.0 0.827 81.2 65.2 -51.8 -41.8 2.1 -2.7 -11.4 131 131 A P H 3>>S+ 0 0 41 0, 0.0 4,-2.2 0, 0.0 5,-0.5 0.867 93.0 63.1 -50.0 -40.9 5.6 -4.6 -11.3 132 132 A A H <45S+ 0 0 55 -3,-0.8 4,-0.3 -4,-0.3 -2,-0.2 0.849 118.0 26.7 -52.0 -41.2 7.5 -1.2 -10.4 133 133 A S H < + 0 0 27 -4,-2.0 3,-0.8 1,-0.2 -1,-0.1 -0.271 46.7 160.3 -64.2 70.8 8.2 -7.9 -1.9 139 139 A T T 3 S+ 0 0 90 -2,-2.4 -1,-0.2 1,-0.2 6,-0.1 0.857 71.5 47.4 -59.5 -43.0 10.9 -7.5 0.9 140 140 A N T 3 S- 0 0 72 6,-0.0 -1,-0.2 1,-0.0 -2,-0.1 0.591 107.0-123.2 -77.9 -11.7 11.1 -11.3 1.8 141 141 A N < + 0 0 141 -3,-0.8 -2,-0.1 3,-0.1 -3,-0.0 0.851 68.7 130.1 69.1 42.8 11.4 -12.5 -2.0 142 142 A D S S- 0 0 115 2,-0.4 3,-0.1 4,-0.0 -3,-0.0 0.574 74.7-115.7 -96.9 -10.3 8.2 -14.9 -2.1 143 143 A G S S+ 0 0 39 1,-0.3 -30,-0.5 -5,-0.1 2,-0.3 0.572 91.4 81.5 79.9 10.2 6.5 -13.5 -5.3 144 144 A L S S- 0 0 49 -32,-0.1 2,-0.7 -31,-0.1 -2,-0.4 -0.950 83.9-113.9-139.9 157.3 3.5 -12.4 -3.1 145 145 A L B -B 111 0B 0 -34,-2.8 -34,-2.2 -2,-0.3 2,-0.1 -0.849 34.0-167.3-100.1 113.5 2.8 -9.3 -0.9 146 146 A S > - 0 0 23 -2,-0.7 4,-2.2 -36,-0.2 5,-0.2 -0.428 37.2 -99.9 -89.8 172.1 2.5 -10.2 2.9 147 147 A L H > S+ 0 0 75 -38,-0.3 4,-2.4 2,-0.2 5,-0.2 0.946 123.2 51.1 -57.5 -48.9 1.2 -7.9 5.7 148 148 A E H > S+ 0 0 118 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.910 111.5 48.3 -54.1 -46.6 4.8 -7.0 6.9 149 149 A E H > S+ 0 0 13 2,-0.2 4,-2.5 1,-0.2 5,-0.3 0.939 111.9 48.2 -59.5 -52.8 5.8 -6.0 3.3 150 150 A F H X S+ 0 0 4 -4,-2.2 4,-2.3 1,-0.2 5,-0.2 0.910 114.5 45.7 -57.5 -47.0 2.7 -3.8 2.7 151 151 A V H X S+ 0 0 41 -4,-2.4 4,-2.5 -5,-0.2 -2,-0.2 0.903 114.4 48.2 -67.1 -40.5 3.1 -1.9 6.1 152 152 A I H X S+ 0 0 81 -4,-2.4 4,-2.2 -5,-0.2 -2,-0.2 0.980 116.7 42.2 -62.3 -56.7 7.0 -1.4 5.5 153 153 A A H X S+ 0 0 1 -4,-2.5 4,-2.5 -16,-0.2 -2,-0.2 0.891 117.9 45.9 -57.0 -44.9 6.6 -0.1 1.9 154 154 A G H X S+ 0 0 0 -4,-2.3 4,-3.0 -5,-0.3 5,-0.3 0.933 109.9 54.7 -64.4 -46.2 3.5 2.1 2.8 155 155 A S H X>S+ 0 0 43 -4,-2.5 4,-2.1 -5,-0.2 5,-0.6 0.900 112.1 45.0 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166 A N T 3 S+ 0 0 29 1,-0.2 -1,-0.2 -3,-0.2 -9,-0.1 0.314 75.7 91.8 -81.6 13.5 9.1 2.6 -2.6 167 167 A K T 3 S+ 0 0 66 -3,-0.5 2,-0.4 -4,-0.1 -1,-0.2 0.592 79.6 61.5 -79.6 -14.0 8.0 6.2 -3.9 168 168 A V < + 0 0 27 -3,-0.8 -11,-0.1 -36,-0.2 -161,-0.0 -0.654 54.2 138.4-110.5 86.3 5.5 4.6 -6.2 169 169 A F S S+ 0 0 3 -2,-0.4 -1,-0.1 2,-0.2 -2,-0.1 0.083 82.0 36.1 -98.8 -3.2 3.1 2.8 -3.8 170 170 A W S S- 0 0 7 1,-0.4 -2,-0.1 -3,-0.1 -40,-0.1 0.227 110.8-103.8-138.3 18.5 -0.1 4.0 -6.0 171 171 A G S S+ 0 0 1 -42,-0.1 -1,-0.4 -41,-0.1 -2,-0.2 -0.620 79.0 18.0 95.4-155.0 0.9 4.0 -9.8 172 172 A P S S- 0 0 52 0, 0.0 2,-0.3 0, 0.0 -43,-0.0 -0.246 79.3-111.8 -58.1 135.7 1.9 7.0 -12.2 173 173 A L 0 0 77 1,-0.1 -166,-0.1 -163,-0.0 -167,-0.1 -0.515 360.0 360.0 -71.9 123.3 2.9 10.4 -10.5 174 174 A V 0 0 90 -168,-0.5 -1,-0.1 -2,-0.3 -168,-0.1 0.866 360.0 360.0 -72.2 360.0 0.3 13.2 -11.1