==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-MAR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL BINDING PROTEIN/EXOCYTOSIS 19-JAN-09 2KDU . COMPND 2 MOLECULE: CALMODULIN; . SOURCE 2 ORGANISM_SCIENTIFIC: XENOPUS LAEVIS; . AUTHOR F.A.RODRIGUEZ-CASTANEDA,M.MAESTRE-MARTINEZ,N.COUDEVYLLE, . 184 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12019.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 122 66.3 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 . 6 3.3 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 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 88 47.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 2.7 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 1 0 0 0 1 1 3 2 0 0 1 0 0 0 0 0 1 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 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 1 A A 0 0 135 0, 0.0 78,-0.0 0, 0.0 77,-0.0 0.000 360.0 360.0 360.0 82.5 -16.0 7.9 -7.1 2 2 A D + 0 0 89 1,-0.2 2,-0.2 76,-0.0 74,-0.1 0.936 360.0 175.9 53.8 47.3 -12.3 9.1 -7.1 3 3 A Q - 0 0 151 1,-0.1 -1,-0.2 70,-0.0 3,-0.1 -0.598 29.7-113.6 -85.4 146.0 -12.6 10.1 -10.8 4 4 A L - 0 0 42 -2,-0.2 2,-0.2 1,-0.1 -1,-0.1 -0.192 39.8 -89.8 -69.4 168.7 -9.7 11.8 -12.6 5 5 A T > - 0 0 72 1,-0.1 4,-2.2 4,-0.0 5,-0.3 -0.562 31.1-121.8 -79.9 143.4 -9.9 15.5 -13.7 6 6 A E H > S+ 0 0 122 1,-0.2 4,-2.8 -2,-0.2 5,-0.3 0.874 114.4 55.3 -53.6 -34.6 -11.2 15.9 -17.3 7 7 A E H > S+ 0 0 153 2,-0.2 4,-2.4 3,-0.2 -1,-0.2 0.937 107.4 47.7 -65.8 -44.3 -8.0 17.7 -18.1 8 8 A Q H > S+ 0 0 83 -3,-0.3 4,-1.5 2,-0.2 -2,-0.2 0.963 119.6 37.9 -62.7 -49.8 -5.8 14.8 -16.9 9 9 A I H X S+ 0 0 28 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.960 115.0 54.4 -66.8 -48.9 -7.8 12.2 -18.9 10 10 A A H X S+ 0 0 46 -4,-2.8 4,-2.0 -5,-0.3 5,-0.2 0.921 107.0 51.5 -51.8 -45.1 -8.4 14.5 -21.9 11 11 A E H X S+ 0 0 121 -4,-2.4 4,-2.4 -5,-0.3 -1,-0.2 0.916 108.5 51.7 -61.1 -39.2 -4.6 15.1 -22.2 12 12 A F H X S+ 0 0 50 -4,-1.5 4,-2.9 -5,-0.2 -1,-0.2 0.905 105.0 56.8 -64.7 -38.1 -4.1 11.3 -22.1 13 13 A K H X S+ 0 0 115 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.940 109.0 45.0 -59.9 -44.7 -6.6 11.0 -25.0 14 14 A E H X S+ 0 0 146 -4,-2.0 4,-2.3 1,-0.2 5,-0.3 0.953 115.0 47.5 -65.1 -45.2 -4.6 13.3 -27.2 15 15 A A H X S+ 0 0 51 -4,-2.4 4,-3.6 1,-0.2 5,-0.4 0.885 110.6 54.8 -63.0 -34.0 -1.4 11.5 -26.3 16 16 A F H X S+ 0 0 33 -4,-2.9 4,-3.8 -5,-0.2 -2,-0.2 0.965 107.2 47.8 -64.5 -50.4 -3.2 8.3 -27.0 17 17 A S H < S+ 0 0 94 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.936 121.0 37.7 -57.7 -44.3 -4.2 9.3 -30.5 18 18 A L H < S+ 0 0 157 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.933 124.5 39.8 -73.4 -45.2 -0.6 10.5 -31.2 19 19 A F H < S+ 0 0 59 -4,-3.6 2,-0.6 -5,-0.3 -3,-0.2 0.900 105.9 72.2 -71.2 -41.4 1.1 7.7 -29.3 20 20 A D < + 0 0 12 -4,-3.8 7,-0.1 -5,-0.4 -1,-0.0 -0.651 48.0 163.8 -80.6 120.9 -1.3 4.9 -30.4 21 21 A K + 0 0 106 -2,-0.6 -1,-0.2 1,-0.1 -4,-0.1 0.518 61.8 80.2-111.4 -9.7 -0.8 4.0 -34.1 22 22 A D S S- 0 0 80 4,-0.1 3,-0.1 2,-0.1 -1,-0.1 0.819 96.9-127.7 -67.3 -27.9 -2.7 0.6 -34.1 23 23 A G + 0 0 72 1,-0.3 2,-0.2 3,-0.1 -1,-0.1 0.598 68.9 120.5 90.7 10.8 -6.0 2.6 -34.3 24 24 A D S S- 0 0 49 2,-0.2 -1,-0.3 1,-0.1 -2,-0.1 -0.609 74.2-120.1-104.0 167.7 -7.5 0.7 -31.3 25 25 A G S S+ 0 0 52 -2,-0.2 40,-1.1 -3,-0.1 2,-0.3 0.327 93.0 69.3 -88.0 10.5 -8.7 2.2 -28.0 26 26 A T E S-A 64 0A 44 38,-0.2 2,-0.4 39,-0.1 38,-0.3 -0.803 81.9-116.6-123.1 167.3 -6.1 0.1 -26.0 27 27 A I E -A 63 0A 17 36,-2.2 36,-1.7 -2,-0.3 2,-0.3 -0.861 26.2-161.1-106.2 137.1 -2.3 0.2 -25.7 28 28 A T E > -A 62 0A 18 -2,-0.4 4,-1.4 34,-0.2 3,-0.4 -0.879 28.5-122.8-117.5 149.3 -0.1 -2.7 -26.9 29 29 A T H > S+ 0 0 18 32,-0.6 4,-3.0 -2,-0.3 5,-0.1 0.807 110.1 67.4 -59.5 -25.8 3.5 -3.5 -26.0 30 30 A K H > S+ 0 0 161 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.985 100.4 48.2 -58.4 -51.0 4.3 -3.4 -29.8 31 31 A E H > S+ 0 0 1 -3,-0.4 4,-2.4 1,-0.3 -1,-0.2 0.897 110.9 52.3 -54.9 -36.3 3.6 0.4 -29.6 32 32 A L H X>S+ 0 0 0 -4,-1.4 4,-2.9 2,-0.2 5,-0.5 0.917 104.1 56.9 -66.4 -39.9 5.9 0.4 -26.5 33 33 A G H X5S+ 0 0 18 -4,-3.0 4,-2.2 1,-0.2 5,-0.2 0.966 110.0 43.8 -55.7 -52.3 8.6 -1.4 -28.5 34 34 A T H X5S+ 0 0 78 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.935 118.4 43.3 -62.0 -45.9 8.6 1.4 -31.0 35 35 A V H X5S+ 0 0 41 -4,-2.4 4,-1.9 -5,-0.2 6,-0.2 0.989 116.3 44.6 -66.7 -57.3 8.5 4.2 -28.4 36 36 A M H <>S+ 0 0 19 -4,-2.9 5,-3.1 1,-0.2 -1,-0.2 0.904 113.8 53.0 -55.1 -36.4 11.1 2.8 -26.0 37 37 A R H >< - 0 0 78 1,-0.1 4,-2.2 4,-0.0 5,-0.2 -0.346 34.5-105.0 -78.0 164.1 13.6 -8.1 -25.7 45 45 A E H > S+ 0 0 139 1,-0.2 4,-2.5 2,-0.2 5,-0.3 0.887 120.8 57.6 -57.9 -36.5 10.1 -9.5 -26.7 46 46 A A H > S+ 0 0 52 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.963 108.5 43.9 -60.8 -49.7 10.0 -11.4 -23.4 47 47 A E H > S+ 0 0 106 2,-0.2 4,-3.2 1,-0.2 5,-0.4 0.894 111.4 56.8 -63.5 -36.1 10.3 -8.2 -21.3 48 48 A L H X S+ 0 0 27 -4,-2.2 4,-2.1 1,-0.2 5,-0.3 0.976 111.1 40.4 -60.1 -53.7 7.9 -6.5 -23.6 49 49 A Q H X S+ 0 0 96 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.876 120.0 48.2 -63.6 -34.7 5.1 -9.0 -23.0 50 50 A D H X S+ 0 0 82 -4,-2.2 4,-1.8 -5,-0.3 5,-0.3 0.987 113.1 42.9 -69.8 -59.8 6.0 -9.1 -19.3 51 51 A M H X S+ 0 0 19 -4,-3.2 4,-1.2 1,-0.2 -2,-0.2 0.872 120.5 44.7 -55.9 -38.0 6.2 -5.4 -18.6 52 52 A I H X S+ 0 0 1 -4,-2.1 4,-1.1 -5,-0.4 10,-0.3 0.908 111.3 50.0 -76.5 -42.4 3.0 -4.8 -20.6 53 53 A N H < S+ 0 0 56 -4,-2.1 8,-0.3 -5,-0.3 -2,-0.2 0.768 114.5 47.0 -70.0 -20.0 0.9 -7.7 -19.2 54 54 A E H < S+ 0 0 66 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.794 107.3 54.3 -89.8 -29.4 1.8 -6.6 -15.7 55 55 A V H < S+ 0 0 0 -4,-1.2 2,-0.4 -5,-0.3 -2,-0.2 0.740 99.8 72.1 -76.8 -20.8 1.0 -2.9 -16.1 56 56 A D S >< S- 0 0 5 -4,-1.1 3,-0.6 -5,-0.1 5,-0.2 -0.797 92.3-109.4 -99.3 136.2 -2.5 -3.5 -17.4 57 57 A A G > S+ 0 0 35 -2,-0.4 2,-1.5 1,-0.2 3,-0.6 -0.217 105.1 18.8 -56.9 147.8 -5.3 -4.8 -15.1 58 58 A D G 3 S- 0 0 110 1,-0.2 -1,-0.2 -4,-0.1 -5,-0.1 -0.199 106.8-115.2 80.7 -45.1 -6.3 -8.4 -15.7 59 59 A G G < + 0 0 33 -2,-1.5 -1,-0.2 -3,-0.6 -2,-0.1 0.855 59.6 154.9 86.0 38.3 -3.0 -9.0 -17.5 60 60 A N S < S- 0 0 80 -3,-0.6 -7,-0.1 2,-0.3 3,-0.1 0.570 72.0-101.4 -73.8 -2.4 -4.2 -9.6 -21.1 61 61 A G S S+ 0 0 17 1,-0.3 -32,-0.6 -8,-0.3 -8,-0.3 0.733 98.0 76.5 91.0 24.1 -0.8 -8.3 -22.2 62 62 A T E S-A 28 0A 30 -10,-0.3 2,-0.7 -5,-0.2 -2,-0.3 -0.977 74.6-126.5-160.4 147.8 -2.0 -4.9 -23.2 63 63 A I E -A 27 0A 0 -36,-1.7 -36,-2.2 -2,-0.3 -7,-0.1 -0.856 23.1-156.6-108.0 110.9 -3.0 -1.7 -21.3 64 64 A D E > -A 26 0A 35 -2,-0.7 4,-2.7 -38,-0.3 5,-0.4 -0.270 34.6-101.0 -74.3 166.8 -6.5 -0.3 -22.1 65 65 A F H > S+ 0 0 43 -40,-1.1 4,-2.4 1,-0.2 5,-0.2 0.949 124.9 40.9 -54.6 -50.9 -7.3 3.4 -21.5 66 66 A P H > S+ 0 0 81 0, 0.0 4,-3.2 0, 0.0 5,-0.3 0.900 113.6 54.1 -66.7 -40.2 -9.2 2.6 -18.3 67 67 A E H > S+ 0 0 21 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.971 114.4 39.3 -59.8 -52.5 -6.6 0.0 -17.1 68 68 A F H X S+ 0 0 27 -4,-2.7 4,-2.3 2,-0.2 5,-0.2 0.954 118.4 48.5 -63.6 -46.9 -3.6 2.4 -17.4 69 69 A L H X S+ 0 0 12 -4,-2.4 4,-2.3 -5,-0.4 5,-0.2 0.927 110.9 51.2 -60.5 -41.8 -5.6 5.4 -16.0 70 70 A T H X S+ 0 0 79 -4,-3.2 4,-1.9 -5,-0.2 -1,-0.2 0.934 108.0 52.4 -62.7 -41.9 -6.9 3.2 -13.1 71 71 A M H X S+ 0 0 28 -4,-2.3 4,-0.5 -5,-0.3 -1,-0.2 0.934 109.5 49.2 -60.6 -41.8 -3.3 2.2 -12.3 72 72 A M H >< S+ 0 0 38 -4,-2.3 3,-1.0 1,-0.2 4,-0.3 0.920 112.3 47.9 -63.7 -39.6 -2.3 5.9 -12.2 73 73 A A H >< S+ 0 0 19 -4,-2.3 3,-2.0 1,-0.2 -1,-0.2 0.778 92.0 80.6 -71.5 -24.2 -5.2 6.6 -9.9 74 74 A R H 3< S+ 0 0 99 -4,-1.9 -1,-0.2 1,-0.3 4,-0.2 0.812 77.2 72.7 -53.4 -27.1 -4.2 3.6 -7.8 75 75 A K T << S+ 0 0 187 -3,-1.0 2,-0.3 -4,-0.5 -1,-0.3 0.881 95.3 59.0 -57.8 -33.9 -1.6 5.9 -6.2 76 76 A M S < S- 0 0 129 -3,-2.0 2,-0.3 -4,-0.3 0, 0.0 -0.723 111.0 -90.2 -96.2 145.6 -4.5 7.7 -4.4 77 77 A K + 0 0 193 -2,-0.3 3,-0.1 1,-0.1 -2,-0.1 -0.321 55.6 165.9 -55.2 112.4 -6.8 5.7 -2.0 78 78 A D - 0 0 53 1,-0.4 2,-0.3 -2,-0.3 -1,-0.1 0.875 56.9 -8.2 -94.8 -75.3 -9.6 4.5 -4.4 79 79 A T - 0 0 83 1,-0.1 -1,-0.4 -77,-0.0 3,-0.0 -0.906 58.1-124.3-125.4 154.8 -11.7 1.8 -2.6 80 80 A D S S+ 0 0 153 -2,-0.3 -1,-0.1 1,-0.2 4,-0.1 0.901 112.1 54.0 -64.0 -39.1 -11.2 -0.1 0.7 81 81 A S S > S- 0 0 53 1,-0.1 3,-2.9 2,-0.1 -1,-0.2 0.894 79.1-170.9 -64.0 -37.5 -11.4 -3.5 -1.1 82 82 A E T 3 S- 0 0 62 1,-0.3 -1,-0.1 2,-0.1 -2,-0.1 0.884 72.4 -66.6 48.1 39.2 -8.6 -2.4 -3.5 83 83 A E T >> S+ 0 0 85 1,-0.1 3,-1.7 3,-0.1 4,-0.7 0.784 93.6 149.8 55.8 22.7 -9.3 -5.7 -5.5 84 84 A E H <> + 0 0 37 -3,-2.9 4,-1.2 1,-0.3 3,-0.5 0.779 59.1 71.6 -59.2 -22.6 -8.0 -7.5 -2.3 85 85 A I H 3> S+ 0 0 19 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.858 87.5 64.0 -64.0 -28.6 -10.4 -10.4 -3.2 86 86 A R H <> S+ 0 0 55 -3,-1.7 4,-3.1 1,-0.2 -1,-0.2 0.927 97.7 54.7 -60.0 -41.1 -8.1 -11.2 -6.1 87 87 A E H X S+ 0 0 34 -4,-0.7 4,-2.1 -3,-0.5 -1,-0.2 0.896 104.2 55.0 -61.0 -35.8 -5.4 -12.0 -3.6 88 88 A A H X S+ 0 0 0 -4,-1.2 4,-2.6 2,-0.2 -1,-0.2 0.962 110.7 44.7 -62.4 -47.0 -7.8 -14.5 -1.9 89 89 A F H X S+ 0 0 2 -4,-2.2 4,-1.8 1,-0.2 8,-0.2 0.933 109.8 55.4 -63.5 -42.1 -8.3 -16.2 -5.3 90 90 A R H < S+ 0 0 136 -4,-3.1 -1,-0.2 1,-0.2 6,-0.2 0.879 113.3 42.2 -60.2 -33.9 -4.5 -16.1 -5.9 91 91 A V H >< S+ 0 0 31 -4,-2.1 3,-0.5 -5,-0.2 -1,-0.2 0.875 107.3 60.3 -81.3 -35.5 -4.0 -17.9 -2.6 92 92 A F H 3< S+ 0 0 5 -4,-2.6 2,-0.3 1,-0.3 -2,-0.2 0.881 122.9 20.5 -58.1 -37.1 -6.9 -20.4 -3.1 93 93 A D T >X - 0 0 2 -4,-1.8 3,-2.4 4,-0.2 4,-0.9 -0.678 62.4-168.2-138.9 86.1 -5.2 -21.7 -6.2 94 94 A K T <4 S+ 0 0 159 -3,-0.5 -1,-0.1 1,-0.3 -2,-0.1 0.828 73.5 98.5 -38.7 -35.1 -1.5 -21.1 -6.6 95 95 A D T 34 S- 0 0 107 1,-0.2 -1,-0.3 -3,-0.1 3,-0.1 0.717 103.2-113.1 -23.3 -39.9 -2.2 -22.3 -10.1 96 96 A G T <4 S+ 0 0 69 -3,-2.4 2,-0.2 1,-0.3 -1,-0.2 0.784 79.9 102.0 100.1 37.7 -2.3 -18.6 -11.1 97 97 A N S < S- 0 0 59 -4,-0.9 -1,-0.3 -8,-0.2 -4,-0.2 -0.768 75.6-113.4-138.4-177.7 -6.0 -18.3 -12.0 98 98 A G S S+ 0 0 27 -2,-0.2 2,-0.4 -3,-0.1 40,-0.2 -0.143 76.7 100.8-115.3 40.6 -9.2 -16.9 -10.4 99 99 A Y - 0 0 137 -10,-0.2 2,-0.5 -6,-0.1 38,-0.2 -0.979 55.8-149.5-127.3 130.2 -11.2 -20.1 -9.9 100 100 A I B -B 136 0B 1 36,-2.4 36,-2.5 -2,-0.4 2,-0.2 -0.835 15.0-163.8-100.2 127.0 -11.6 -22.1 -6.6 101 101 A S > - 0 0 35 -2,-0.5 4,-3.0 34,-0.2 5,-0.3 -0.556 36.8-101.9-100.4 168.9 -12.2 -25.8 -6.8 102 102 A A H > S+ 0 0 15 32,-0.4 4,-2.2 1,-0.2 5,-0.1 0.924 125.0 46.7 -57.6 -40.8 -13.4 -28.2 -4.1 103 103 A A H > S+ 0 0 65 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.974 111.9 48.5 -66.2 -53.0 -9.8 -29.3 -3.4 104 104 A E H > S+ 0 0 35 2,-0.2 4,-2.1 1,-0.2 3,-0.4 0.947 110.8 51.5 -54.7 -46.0 -8.4 -25.8 -3.3 105 105 A L H X S+ 0 0 0 -4,-3.0 4,-3.0 1,-0.3 -1,-0.2 0.964 105.8 54.5 -57.0 -44.9 -11.2 -24.7 -0.9 106 106 A R H X S+ 0 0 112 -4,-2.2 4,-2.6 -5,-0.3 -1,-0.3 0.877 103.8 58.1 -55.5 -31.6 -10.3 -27.7 1.2 107 107 A H H X S+ 0 0 96 -4,-1.9 4,-1.6 -3,-0.4 -1,-0.2 0.968 105.8 45.9 -65.2 -45.6 -6.8 -26.1 1.1 108 108 A V H X S+ 0 0 2 -4,-2.1 4,-1.1 1,-0.2 3,-0.5 0.943 108.7 57.5 -63.4 -37.0 -8.1 -22.9 2.6 109 109 A M H >< S+ 0 0 0 -4,-3.0 3,-1.3 1,-0.3 -1,-0.2 0.952 99.0 59.5 -54.6 -45.2 -10.0 -25.2 5.1 110 110 A T H 3< S+ 0 0 86 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.911 95.9 62.3 -50.3 -40.9 -6.5 -26.5 6.0 111 111 A N H 3< S+ 0 0 86 -4,-1.6 -1,-0.3 -3,-0.5 -2,-0.2 0.902 114.4 32.9 -55.0 -37.5 -5.6 -22.9 7.0 112 112 A L S << S- 0 0 19 -3,-1.3 44,-0.0 -4,-1.1 48,-0.0 -0.131 104.6 -84.0-101.4-157.9 -8.4 -23.0 9.7 113 113 A G S S+ 0 0 54 -2,-0.1 -1,-0.2 2,-0.0 43,-0.0 0.625 84.2 84.8 -77.8-119.3 -9.5 -26.0 11.8 114 114 A E - 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