==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL BINDING PROTEIN 02-FEB-08 2K0E . COMPND 2 MOLECULE: CALMODULIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.GSPONER,J.CHRISTODOULOU,A.CAVALLI,J.M.BUI,B.RICHTER, . 148 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10867.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 93 62.8 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 . 5 3.4 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 . 4 2.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 8 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 74 50.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.7 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 1 3 2 0 0 2 0 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 A 0 0 116 0, 0.0 4,-0.1 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 168.2 -5.0 15.0 4.1 2 2 A D + 0 0 131 2,-0.1 2,-0.2 75,-0.0 75,-0.1 0.862 360.0 60.3 -91.0 -40.1 -6.4 12.5 6.5 3 3 A Q S S- 0 0 169 1,-0.1 2,-0.1 70,-0.0 0, 0.0 -0.486 92.6-107.7 -87.6 144.9 -9.9 13.8 6.0 4 4 A L - 0 0 37 -2,-0.2 2,-0.2 1,-0.1 -1,-0.1 -0.367 22.9-127.2 -78.7 151.0 -11.6 13.7 2.6 5 5 A T > - 0 0 70 -2,-0.1 4,-2.2 1,-0.1 3,-0.3 -0.492 30.9-105.3 -88.3 161.0 -12.4 16.6 0.4 6 6 A E H > S+ 0 0 163 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.853 122.4 53.5 -59.5 -35.5 -15.9 17.3 -1.1 7 7 A E H > S+ 0 0 156 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.836 109.8 45.7 -62.5 -36.3 -14.6 16.0 -4.5 8 8 A Q H > S+ 0 0 65 -3,-0.3 4,-1.2 2,-0.2 -2,-0.2 0.925 114.4 47.0 -78.0 -34.4 -13.4 12.7 -3.0 9 9 A I H X S+ 0 0 45 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.886 108.6 57.3 -69.4 -39.9 -16.6 12.1 -1.0 10 10 A A H X S+ 0 0 51 -4,-2.2 4,-1.9 -5,-0.3 -1,-0.2 0.924 112.1 40.2 -48.8 -52.6 -18.6 13.0 -4.1 11 11 A E H X S+ 0 0 142 -4,-1.6 4,-2.0 2,-0.3 -1,-0.2 0.713 110.6 56.0 -74.2 -19.6 -16.9 10.3 -6.0 12 12 A F H X S+ 0 0 15 -4,-1.2 4,-1.3 2,-0.2 -2,-0.2 0.780 109.6 49.7 -86.9 -22.9 -16.9 7.8 -3.1 13 13 A K H X S+ 0 0 129 -4,-2.5 4,-1.5 2,-0.2 -2,-0.3 0.924 110.5 48.9 -63.1 -45.7 -20.7 8.5 -3.2 14 14 A E H X S+ 0 0 137 -4,-1.9 4,-1.4 1,-0.2 -2,-0.2 0.892 114.5 45.9 -66.8 -36.5 -20.8 7.9 -7.0 15 15 A A H X S+ 0 0 25 -4,-2.0 4,-1.7 2,-0.2 -1,-0.2 0.907 106.3 60.6 -69.1 -36.8 -18.8 4.6 -6.5 16 16 A F H X S+ 0 0 20 -4,-1.3 4,-0.7 1,-0.2 3,-0.3 0.950 109.9 39.0 -57.0 -53.7 -21.0 3.6 -3.6 17 17 A S H < S+ 0 0 80 -4,-1.5 3,-0.3 1,-0.2 -1,-0.2 0.776 110.2 61.3 -65.4 -37.8 -24.3 3.5 -5.7 18 18 A L H < S+ 0 0 149 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.905 105.8 46.7 -61.5 -34.5 -22.5 2.0 -8.7 19 19 A F H < S+ 0 0 38 -4,-1.7 2,-0.4 -3,-0.3 -1,-0.2 0.734 89.4 101.3 -78.2 -24.4 -21.5 -1.1 -6.7 20 20 A D < - 0 0 14 -4,-0.7 7,-0.1 -3,-0.3 -4,-0.0 -0.585 47.2-175.0 -81.2 121.3 -24.9 -1.6 -5.3 21 21 A K S S+ 0 0 185 -2,-0.4 -1,-0.2 1,-0.1 6,-0.1 0.825 86.1 41.8 -78.9 -39.1 -26.9 -4.3 -7.0 22 22 A D S S- 0 0 124 4,-0.2 -1,-0.1 1,-0.0 -2,-0.1 0.876 104.6-126.1 -80.9 -27.8 -30.1 -3.8 -5.1 23 23 A G + 0 0 60 3,-0.1 -6,-0.1 -6,-0.1 -2,-0.1 0.571 67.8 120.3 84.7 30.8 -30.0 -0.1 -5.2 24 24 A D S S- 0 0 77 2,-0.3 -4,-0.1 -7,-0.0 3,-0.0 0.324 78.4 -95.4 -93.0-141.9 -30.3 0.4 -1.4 25 25 A G S S+ 0 0 42 -3,-0.0 2,-0.4 2,-0.0 40,-0.3 0.049 95.5 81.7-126.1 19.1 -27.8 2.2 0.9 26 26 A T - 0 0 39 38,-0.1 2,-0.5 39,-0.0 -2,-0.3 -0.973 64.2-146.9-127.1 134.2 -26.0 -0.9 2.1 27 27 A I B -A 63 0A 0 36,-3.0 36,-2.7 -2,-0.4 2,-0.1 -0.794 18.2-160.2 -96.6 136.0 -23.2 -2.8 0.5 28 28 A T > - 0 0 39 -2,-0.5 4,-1.5 34,-0.2 5,-0.1 -0.384 34.7 -98.1 -92.9-177.3 -23.0 -6.5 1.0 29 29 A T H > S+ 0 0 14 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.878 121.6 51.5 -60.2 -36.1 -20.3 -9.0 0.6 30 30 A K H > S+ 0 0 127 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.808 107.7 51.0 -80.7 -40.2 -21.5 -10.0 -2.8 31 31 A E H > S+ 0 0 10 2,-0.2 4,-0.8 1,-0.1 3,-0.3 0.922 114.0 42.6 -64.9 -52.6 -21.7 -6.5 -4.3 32 32 A L H >X S+ 0 0 5 -4,-1.5 4,-2.5 1,-0.2 3,-0.5 0.853 108.1 57.4 -73.7 -32.9 -18.2 -5.5 -3.3 33 33 A G H 3X S+ 0 0 6 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.790 100.1 60.6 -66.3 -22.7 -16.4 -8.8 -4.3 34 34 A T H 3X S+ 0 0 90 -4,-0.9 4,-1.5 -3,-0.3 -1,-0.2 0.863 108.8 42.4 -73.4 -33.8 -17.8 -8.3 -7.8 35 35 A V H S+ 0 0 42 -4,-2.5 5,-2.3 1,-0.2 4,-0.4 0.769 107.5 50.3 -54.6 -33.3 -12.9 -6.6 -6.4 37 37 A R H ><5S+ 0 0 130 -4,-2.0 3,-1.1 3,-0.2 -1,-0.2 0.936 111.3 49.3 -70.7 -38.2 -12.9 -9.4 -8.9 38 38 A S H 3<5S+ 0 0 99 -4,-1.5 -2,-0.2 1,-0.3 -3,-0.1 0.826 106.1 55.8 -72.9 -19.9 -13.0 -6.7 -11.7 39 39 A L T 3<5S- 0 0 130 -4,-2.3 -1,-0.3 -5,-0.1 -2,-0.2 0.600 129.9 -92.8 -91.5 -0.8 -10.2 -4.8 -10.3 40 40 A G T < 5S+ 0 0 59 -3,-1.1 -3,-0.2 -4,-0.4 -2,-0.1 0.330 87.6 105.5 118.6 3.5 -8.1 -7.8 -10.4 41 41 A Q < - 0 0 132 -5,-2.3 -1,-0.3 -6,-0.2 -8,-0.0 -0.045 50.6-146.9 -97.3-171.5 -8.3 -9.6 -7.1 42 42 A N + 0 0 119 2,-0.1 2,-0.3 -4,-0.0 -5,-0.1 -0.237 29.7 154.9-161.4 70.6 -10.0 -12.8 -6.0 43 43 A P - 0 0 21 0, 0.0 2,-0.2 0, 0.0 -6,-0.0 -0.611 36.6-127.9 -80.6 159.2 -11.2 -12.8 -2.5 44 44 A T > - 0 0 67 -2,-0.3 4,-2.4 1,-0.0 3,-0.3 -0.590 32.2 -99.7 -91.6 164.1 -14.1 -15.0 -1.5 45 45 A E H > S+ 0 0 82 1,-0.2 4,-2.6 2,-0.2 5,-0.1 0.749 124.1 55.3 -52.5 -34.5 -17.1 -13.8 0.4 46 46 A A H > S+ 0 0 69 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.840 107.2 45.9 -69.5 -41.6 -15.5 -15.1 3.6 47 47 A E H > S+ 0 0 125 -3,-0.3 4,-1.2 2,-0.2 -2,-0.2 0.789 116.2 50.1 -76.9 -34.9 -12.3 -13.2 3.2 48 48 A L H X S+ 0 0 4 -4,-2.4 4,-1.5 2,-0.2 -2,-0.2 0.965 106.4 52.6 -62.6 -51.5 -14.5 -10.2 2.3 49 49 A Q H X S+ 0 0 108 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.829 104.9 59.5 -62.8 -21.4 -16.8 -10.6 5.4 50 50 A D H X S+ 0 0 103 -4,-1.7 4,-1.4 1,-0.2 -1,-0.2 0.969 109.4 38.1 -65.6 -64.1 -13.7 -10.6 7.5 51 51 A M H X S+ 0 0 79 -4,-1.2 4,-1.0 1,-0.2 -1,-0.2 0.624 114.6 58.9 -68.8 -12.2 -12.4 -7.2 6.5 52 52 A I H X S+ 0 0 4 -4,-1.5 4,-1.0 2,-0.2 3,-0.2 0.968 103.1 50.0 -72.6 -55.0 -16.0 -6.0 6.5 53 53 A N H < S+ 0 0 78 -4,-2.4 3,-0.4 1,-0.2 -2,-0.2 0.810 107.3 54.9 -53.0 -37.7 -16.6 -6.8 10.1 54 54 A E H < S+ 0 0 150 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.973 113.5 40.5 -65.0 -46.8 -13.4 -5.0 11.3 55 55 A V H < S+ 0 0 40 -4,-1.0 2,-0.4 -3,-0.2 -1,-0.2 0.415 84.6 117.5 -90.5 -3.0 -14.3 -1.8 9.7 56 56 A D < - 0 0 17 -4,-1.0 7,-0.1 -3,-0.4 -3,-0.0 -0.500 42.9-169.9 -63.0 121.1 -18.0 -1.8 10.6 57 57 A A S S+ 0 0 87 -2,-0.4 -1,-0.2 1,-0.1 6,-0.0 0.958 90.5 36.4 -76.2 -58.3 -18.8 1.1 12.8 58 58 A D S S- 0 0 96 1,-0.1 -1,-0.1 0, 0.0 -2,-0.1 0.770 108.6-126.8 -65.8 -32.9 -22.3 0.0 13.7 59 59 A G S S+ 0 0 48 3,-0.1 -3,-0.1 -6,-0.0 -1,-0.1 0.228 70.9 123.6 114.7 -15.7 -21.2 -3.6 13.8 60 60 A N S S- 0 0 95 2,-0.2 3,-0.1 1,-0.2 -7,-0.1 0.753 73.3-121.8 -67.6 -19.7 -23.7 -4.9 11.4 61 61 A G S S+ 0 0 12 1,-0.4 2,-0.3 -9,-0.2 -1,-0.2 0.401 81.4 98.9 92.7 0.3 -21.5 -6.5 8.8 62 62 A T S S- 0 0 36 -10,-0.1 2,-0.6 -34,-0.1 -1,-0.4 -0.908 77.9-113.3-113.2 152.2 -23.0 -4.5 5.8 63 63 A I B -A 27 0A 3 -36,-2.7 -36,-3.0 -2,-0.3 2,-0.2 -0.722 31.4-173.4 -99.1 116.9 -21.2 -1.4 4.6 64 64 A D >> - 0 0 42 -2,-0.6 4,-1.5 -38,-0.2 3,-1.0 -0.491 40.2 -96.7 -92.9 171.1 -22.8 2.0 5.1 65 65 A F H 3> S+ 0 0 42 -40,-0.3 4,-2.5 1,-0.3 3,-0.3 0.902 119.0 53.1 -66.6 -37.0 -21.4 5.2 3.6 66 66 A P H 3> S+ 0 0 85 0, 0.0 4,-1.3 0, 0.0 -1,-0.3 0.688 113.3 48.1 -72.7 -9.5 -19.5 6.6 6.5 67 67 A E H <> S+ 0 0 4 -3,-1.0 4,-2.1 2,-0.2 -2,-0.2 0.633 108.8 51.8 -99.8 -20.7 -17.7 3.2 6.6 68 68 A F H X S+ 0 0 2 -4,-1.5 4,-3.2 -3,-0.3 5,-0.3 0.825 111.5 48.3 -74.2 -34.7 -17.1 3.3 3.0 69 69 A L H X S+ 0 0 29 -4,-2.5 4,-2.2 -5,-0.2 5,-0.3 0.955 113.2 47.2 -73.2 -40.8 -15.6 6.7 3.5 70 70 A T H X S+ 0 0 60 -4,-1.3 4,-1.2 -5,-0.2 -2,-0.2 0.883 117.6 44.3 -56.6 -36.6 -13.6 5.3 6.3 71 71 A M H X S+ 0 0 13 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.947 117.0 41.4 -69.8 -56.9 -12.6 2.4 4.1 72 72 A M H X S+ 0 0 31 -4,-3.2 4,-2.6 1,-0.2 5,-0.2 0.813 111.8 56.9 -74.2 -29.1 -11.8 4.2 1.0 73 73 A A H X S+ 0 0 18 -4,-2.2 4,-1.2 -5,-0.3 5,-0.3 0.892 108.0 48.2 -47.5 -52.7 -10.0 7.0 2.9 74 74 A R H X S+ 0 0 185 -4,-1.2 4,-0.8 -5,-0.3 -2,-0.2 0.893 118.5 42.3 -69.1 -29.9 -7.7 4.5 4.4 75 75 A K H X S+ 0 0 82 -4,-1.9 4,-2.4 3,-0.1 3,-0.3 0.997 113.5 45.8 -62.9 -74.2 -7.1 3.0 1.0 76 76 A M H < S+ 0 0 94 -4,-2.6 -3,-0.2 1,-0.2 -2,-0.2 0.432 111.7 52.8 -58.0 -14.7 -6.7 6.1 -1.3 77 77 A K H < S+ 0 0 135 -4,-1.2 -1,-0.2 -5,-0.2 -3,-0.1 0.903 116.8 36.4 -87.3 -52.6 -4.4 7.9 1.1 78 78 A D H < S+ 0 0 114 -4,-0.8 2,-0.4 -5,-0.3 -2,-0.2 0.976 106.8 66.3 -57.5 -71.1 -1.9 5.0 1.4 79 79 A T < + 0 0 67 -4,-2.4 2,-0.4 -5,-0.2 -1,-0.1 -0.546 53.4 170.5 -72.2 120.9 -1.9 3.5 -2.1 80 80 A D S > S- 0 0 94 -2,-0.4 2,-2.7 2,-0.0 4,-1.4 -0.987 71.3 -41.9-118.4 119.4 -0.5 5.6 -4.9 81 81 A S T 4 S- 0 0 97 -2,-0.4 -2,-0.1 1,-0.2 0, 0.0 -0.229 75.5-105.9 81.6 -57.7 0.0 3.8 -8.2 82 82 A E T > S+ 0 0 104 -2,-2.7 4,-2.2 0, 0.0 3,-0.4 -0.419 119.4 81.5 105.1 -32.6 1.4 0.6 -6.8 83 83 A E H > S+ 0 0 108 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.882 83.3 58.1 -59.2 -33.2 4.6 2.0 -8.1 84 84 A E H X S+ 0 0 92 -4,-1.4 4,-1.2 2,-0.2 -1,-0.2 0.846 105.0 51.3 -64.0 -34.6 4.8 4.1 -5.0 85 85 A I H > S+ 0 0 34 -5,-0.4 4,-2.8 -3,-0.4 -2,-0.2 0.909 109.7 49.9 -68.8 -46.6 4.7 0.9 -2.9 86 86 A R H X S+ 0 0 76 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.938 112.0 44.9 -61.5 -52.6 7.5 -0.6 -5.0 87 87 A E H < S+ 0 0 99 -4,-2.5 -1,-0.2 2,-0.2 -2,-0.2 0.829 114.5 50.3 -60.8 -24.8 9.8 2.4 -4.7 88 88 A A H >X S+ 0 0 34 -4,-1.2 4,-1.9 -5,-0.2 3,-0.6 0.841 107.5 54.4 -86.2 -26.2 9.0 2.6 -1.0 89 89 A F H 3X S+ 0 0 18 -4,-2.8 4,-2.7 1,-0.2 -2,-0.2 0.922 111.5 44.2 -60.0 -47.6 9.8 -1.1 -0.6 90 90 A R H 3< S+ 0 0 176 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.260 109.6 55.5 -91.2 12.5 13.2 -0.5 -2.3 91 91 A V H <4 S+ 0 0 98 -3,-0.6 -1,-0.2 -5,-0.1 -2,-0.2 0.707 111.3 46.1 -91.3 -46.6 13.8 2.6 -0.2 92 92 A F H < S+ 0 0 27 -4,-1.9 2,-0.3 -5,-0.1 -2,-0.2 0.895 97.9 77.2 -65.9 -41.5 13.1 0.3 2.9 93 93 A D S < S- 0 0 2 -4,-2.7 7,-0.1 1,-0.2 6,-0.0 -0.521 76.5-155.4 -67.9 115.1 15.4 -2.4 1.6 94 94 A K S S+ 0 0 166 -2,-0.3 -1,-0.2 5,-0.2 6,-0.1 0.994 86.6 25.3 -65.7 -65.6 18.8 -1.0 2.3 95 95 A D S S- 0 0 100 4,-0.2 -1,-0.1 1,-0.1 -2,-0.1 0.961 100.2-138.9 -57.9 -45.9 21.1 -2.7 -0.2 96 96 A G + 0 0 35 3,-0.2 -3,-0.1 -7,-0.1 -1,-0.1 0.185 65.1 116.8 103.8 -5.6 18.2 -3.2 -2.5 97 97 A N S S- 0 0 150 2,-0.1 -7,-0.0 1,-0.0 -4,-0.0 0.612 90.4 -52.9 -78.9 -14.2 18.7 -6.7 -3.9 98 98 A G S S+ 0 0 23 1,-0.2 2,-0.4 38,-0.1 40,-0.2 0.030 100.9 46.8-177.5 -74.9 15.6 -8.4 -2.6 99 99 A Y - 0 0 109 38,-0.1 2,-1.0 39,-0.0 -5,-0.2 -0.795 55.5-133.1-114.0 148.3 14.5 -8.5 0.9 100 100 A I E -B 136 0B 0 36,-2.6 36,-2.4 -2,-0.4 -7,-0.1 -0.748 35.3-146.5 -90.1 105.2 14.0 -6.2 3.8 101 101 A S E > -B 135 0B 27 -2,-1.0 4,-2.9 34,-0.2 5,-0.3 -0.439 27.4-104.5 -61.2 148.3 15.6 -8.0 6.8 102 102 A A H > S+ 0 0 25 32,-1.8 4,-1.6 1,-0.2 5,-0.1 0.819 124.5 51.5 -32.7 -43.5 14.1 -7.7 10.3 103 103 A A H > S+ 0 0 72 2,-0.2 4,-2.1 3,-0.2 -1,-0.2 0.933 111.0 43.3 -65.6 -49.2 17.0 -5.4 10.9 104 104 A E H > S+ 0 0 32 -3,-0.2 4,-2.2 1,-0.2 5,-0.3 0.987 114.7 51.9 -62.7 -48.3 16.6 -3.2 8.0 105 105 A L H X S+ 0 0 0 -4,-2.9 4,-1.5 1,-0.2 5,-0.3 0.836 108.4 51.8 -56.6 -35.4 12.8 -3.1 8.6 106 106 A R H X S+ 0 0 95 -4,-1.6 4,-2.8 -5,-0.3 10,-0.3 0.984 109.5 47.4 -69.3 -53.1 13.2 -2.1 12.1 107 107 A H H X S+ 0 0 102 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.893 116.2 41.8 -54.0 -46.9 15.5 0.8 11.4 108 108 A V H X S+ 0 0 32 -4,-2.2 4,-0.8 2,-0.2 -1,-0.2 0.801 115.0 49.2 -79.6 -25.6 13.4 2.4 8.6 109 109 A M H X S+ 0 0 22 -4,-1.5 4,-1.7 -5,-0.3 3,-0.3 0.880 110.7 52.4 -81.4 -28.7 10.1 1.9 10.3 110 110 A T H < S+ 0 0 36 -4,-2.8 -2,-0.2 -5,-0.3 -3,-0.2 0.929 108.9 49.6 -63.5 -35.3 11.5 3.4 13.4 111 111 A N H < S+ 0 0 102 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.689 106.0 59.1 -70.3 -21.3 12.7 6.4 11.3 112 112 A L H < S- 0 0 132 -4,-0.8 -2,-0.2 -3,-0.3 -1,-0.2 0.911 125.4 -80.5 -75.9 -49.9 9.3 6.8 9.8 113 113 A G S < S+ 0 0 53 -4,-1.7 2,-0.3 1,-0.5 -3,-0.1 0.267 99.9 73.6 179.1 -52.4 7.4 7.3 13.1 114 114 A E S S- 0 0 165 -5,-0.3 -1,-0.5 1,-0.0 2,-0.5 -0.629 75.7-126.0 -75.3 135.0 6.3 4.5 15.5 115 115 A K - 0 0 180 -2,-0.3 2,-0.4 -3,-0.1 -5,-0.1 -0.737 27.2-161.0 -87.5 129.3 9.4 3.2 17.4 116 116 A L - 0 0 15 -2,-0.5 2,-0.1 -10,-0.3 -6,-0.1 -0.891 6.0-153.1-115.6 142.5 9.7 -0.6 17.1 117 117 A T > - 0 0 90 -2,-0.4 4,-1.7 1,-0.0 5,-0.1 -0.274 41.9 -89.4 -96.7-173.8 11.7 -2.9 19.3 118 118 A D H > S+ 0 0 98 1,-0.2 4,-2.7 2,-0.2 5,-0.1 0.923 126.3 43.3 -65.9 -41.3 13.0 -6.2 18.1 119 119 A E H > S+ 0 0 156 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.753 108.7 58.1 -78.6 -26.6 10.1 -8.3 18.9 120 120 A E H > S+ 0 0 92 2,-0.2 4,-1.4 1,-0.1 -1,-0.2 0.905 111.3 44.4 -66.8 -38.6 7.7 -5.7 17.6 121 121 A V H >X S+ 0 0 1 -4,-1.7 4,-2.1 1,-0.2 3,-0.6 0.982 111.6 52.0 -68.8 -57.1 9.5 -6.0 14.3 122 122 A D H 3X S+ 0 0 85 -4,-2.7 4,-3.2 1,-0.2 -1,-0.2 0.857 109.3 51.2 -41.2 -43.5 9.6 -9.8 14.4 123 123 A E H 3X S+ 0 0 130 -4,-1.6 4,-1.1 2,-0.2 -1,-0.2 0.850 107.4 51.1 -72.0 -32.4 5.9 -10.0 15.0 124 124 A M H << S+ 0 0 48 -4,-1.4 4,-0.5 -3,-0.6 -2,-0.2 0.875 118.7 39.6 -64.9 -49.0 5.0 -7.7 12.1 125 125 A I H >X S+ 0 0 4 -4,-2.1 3,-1.8 -5,-0.2 4,-0.7 0.981 108.1 60.6 -60.6 -57.9 7.2 -10.0 9.9 126 126 A R H >< S+ 0 0 209 -4,-3.2 3,-0.6 1,-0.3 -3,-0.2 0.750 99.3 54.4 -51.4 -41.9 6.2 -13.4 11.4 127 127 A E T 3< S+ 0 0 177 -4,-1.1 -1,-0.3 1,-0.2 -2,-0.1 0.862 121.1 32.3 -68.3 -28.0 2.5 -13.2 10.6 128 128 A A T <4 S+ 0 0 9 -3,-1.8 2,-0.8 -4,-0.5 -1,-0.2 0.481 91.5 110.1-102.5 0.1 3.3 -12.6 7.0 129 129 A D << + 0 0 25 -4,-0.7 7,-0.1 -3,-0.6 -4,-0.0 -0.599 36.3 177.1 -98.7 111.5 6.5 -14.6 6.6 130 130 A I S S+ 0 0 143 -2,-0.8 -1,-0.2 1,-0.2 -4,-0.0 0.952 80.0 44.3 -79.4 -45.6 6.1 -17.7 4.4 131 131 A D S S- 0 0 101 4,-0.2 -1,-0.2 1,-0.1 -2,-0.1 0.761 97.4-129.3 -63.1 -37.7 9.7 -18.9 4.4 132 132 A G + 0 0 62 3,-0.2 -1,-0.1 -6,-0.1 -2,-0.1 0.760 68.3 133.5 86.5 29.8 10.3 -18.4 8.0 133 133 A D S S- 0 0 61 2,-0.3 3,-0.1 1,-0.0 -32,-0.0 0.767 70.3-121.5 -96.2 -19.6 13.4 -16.5 6.9 134 134 A G S S+ 0 0 33 1,-0.5 -32,-1.8 -33,-0.1 2,-0.3 0.429 81.2 102.3 92.7 -2.7 13.1 -13.5 9.1 135 135 A Q E -B 101 0B 63 -34,-0.2 -1,-0.5 -33,-0.1 2,-0.5 -0.846 66.9-134.4-109.2 152.4 13.0 -11.2 6.1 136 136 A V E -B 100 0B 0 -36,-2.4 -36,-2.6 -2,-0.3 2,-0.1 -0.945 22.7-163.5-104.7 118.6 10.1 -9.5 4.4 137 137 A N > - 0 0 37 -2,-0.5 4,-3.1 -38,-0.2 5,-0.2 -0.329 36.9 -91.9 -97.0-178.9 9.8 -9.7 0.6 138 138 A Y H > S+ 0 0 51 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.912 126.3 40.1 -65.3 -47.7 7.8 -7.7 -1.8 139 139 A E H > S+ 0 0 153 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.809 119.2 48.2 -69.5 -30.1 4.7 -10.0 -1.9 140 140 A E H > S+ 0 0 6 2,-0.2 4,-2.6 3,-0.2 -2,-0.2 0.930 112.1 50.2 -72.7 -42.4 5.1 -10.5 1.8 141 141 A F H X S+ 0 0 8 -4,-3.1 4,-3.5 2,-0.2 5,-0.3 0.937 110.6 49.4 -56.7 -50.6 5.4 -6.6 2.3 142 142 A V H X S+ 0 0 45 -4,-2.5 4,-0.8 1,-0.3 -1,-0.2 0.918 115.4 43.6 -67.5 -33.2 2.3 -6.0 0.2 143 143 A Q H X S+ 0 0 123 -4,-1.7 4,-0.7 2,-0.2 -1,-0.3 0.825 114.6 50.0 -63.4 -43.0 0.5 -8.5 2.2 144 144 A M H >X S+ 0 0 6 -4,-2.6 4,-1.1 2,-0.2 3,-0.9 0.925 108.5 49.9 -62.8 -49.1 1.9 -7.3 5.5 145 145 A M H 3< S+ 0 0 68 -4,-3.5 -1,-0.2 1,-0.3 -2,-0.2 0.767 106.7 58.7 -67.2 -21.1 1.1 -3.7 4.9 146 146 A T H 3< S+ 0 0 98 -4,-0.8 -1,-0.3 -5,-0.3 -2,-0.2 0.763 108.3 45.5 -68.2 -30.1 -2.5 -4.6 4.0 147 147 A A H << 0 0 87 -3,-0.9 -2,-0.2 -4,-0.7 -3,-0.1 0.999 360.0 360.0 -89.4 -68.2 -3.1 -6.3 7.3 148 148 A K < 0 0 227 -4,-1.1 -3,-0.1 -24,-0.1 -4,-0.1 0.639 360.0 360.0-126.2 360.0 -2.0 -4.3 10.3