==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL BINDING PROTEIN 03-MAR-03 1OOJ . COMPND 2 MOLECULE: CALMODULIN CMD-1; . SOURCE 2 ORGANISM_SCIENTIFIC: CAENORHABDITIS ELEGANS; . AUTHOR J.SYMERSKY,G.LIN,S.LI,S.QIU,C.-H.LUAN,D.LUO,J.TSAO,M.CARSON, . 141 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9236.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 104 73.8 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 . 6 4.3 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 . 9 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 74 52.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.4 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 0 0 1 0 2 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 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 . 0 2 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 . 2 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 6 A T > 0 0 140 0, 0.0 4,-1.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 16.5 27.2 13.6 -6.3 2 7 A E T 4 + 0 0 161 1,-0.2 4,-0.5 2,-0.2 0, 0.0 0.705 360.0 49.6 -73.2 -20.9 27.9 16.0 -9.1 3 8 A E T >> S+ 0 0 106 2,-0.2 4,-2.0 1,-0.1 3,-0.6 0.824 100.6 62.5 -85.5 -36.2 30.6 17.6 -7.0 4 9 A Q H 3> S+ 0 0 66 1,-0.3 4,-1.9 2,-0.2 -2,-0.2 0.905 103.2 52.8 -55.7 -37.7 32.4 14.4 -6.2 5 10 A I H 3X S+ 0 0 32 -4,-1.0 4,-1.7 2,-0.2 -1,-0.3 0.838 102.5 54.4 -66.1 -41.6 32.9 14.1 -9.7 6 11 A A H <> S+ 0 0 28 -3,-0.6 4,-1.4 -4,-0.5 -1,-0.2 0.853 109.9 49.2 -68.6 -35.5 34.5 17.5 -10.0 7 12 A E H X S+ 0 0 100 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.826 109.6 51.5 -72.2 -33.8 37.0 16.6 -7.3 8 13 A F H X S+ 0 0 14 -4,-1.9 4,-2.5 -5,-0.2 -2,-0.2 0.831 106.8 54.6 -70.2 -33.3 37.7 13.3 -9.1 9 14 A K H X S+ 0 0 113 -4,-1.7 4,-1.8 1,-0.2 -2,-0.2 0.872 110.3 46.4 -66.3 -37.8 38.3 15.3 -12.3 10 15 A E H X S+ 0 0 128 -4,-1.4 4,-1.2 2,-0.2 -2,-0.2 0.852 110.8 51.0 -72.7 -37.3 40.9 17.4 -10.5 11 16 A A H >X S+ 0 0 22 -4,-1.9 4,-0.7 1,-0.2 3,-0.5 0.937 112.3 48.2 -63.6 -46.0 42.5 14.3 -8.9 12 17 A F H >X S+ 0 0 12 -4,-2.5 4,-2.8 1,-0.2 3,-0.9 0.858 104.8 58.9 -61.6 -38.6 42.8 12.8 -12.4 13 18 A S H 3< S+ 0 0 77 -4,-1.8 -1,-0.2 1,-0.3 6,-0.2 0.819 98.3 60.3 -61.7 -31.3 44.2 16.0 -13.8 14 19 A L H << S+ 0 0 116 -4,-1.2 -1,-0.3 -3,-0.5 -2,-0.2 0.803 112.2 38.5 -65.3 -31.5 47.1 15.7 -11.4 15 20 A F H << S+ 0 0 51 -3,-0.9 2,-2.2 -4,-0.7 -2,-0.2 0.866 99.7 76.1 -85.6 -44.1 47.9 12.4 -13.0 16 21 A D >< - 0 0 9 -4,-2.8 3,-1.4 1,-0.2 -1,-0.2 -0.482 66.9-175.6 -71.0 78.9 47.2 13.4 -16.6 17 22 A K T 3 S+ 0 0 105 -2,-2.2 -1,-0.2 1,-0.3 6,-0.1 0.775 78.8 30.3 -48.7 -39.7 50.5 15.4 -17.0 18 23 A D T 3 S- 0 0 111 4,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.297 103.8-123.9-107.5 8.3 49.8 16.7 -20.5 19 24 A G < + 0 0 59 -3,-1.4 -2,-0.1 -6,-0.2 4,-0.1 0.716 66.7 133.3 59.8 30.0 46.0 16.9 -20.3 20 25 A D S S- 0 0 97 2,-0.3 -1,-0.1 1,-0.0 3,-0.1 0.732 80.2-105.5 -79.9 -19.8 45.1 14.7 -23.3 21 26 A G S S+ 0 0 28 1,-0.4 40,-0.7 -9,-0.1 2,-0.3 0.647 89.9 87.7 105.8 18.4 42.6 12.8 -21.1 22 27 A T E -A 60 0A 34 38,-0.2 2,-0.5 39,-0.1 -1,-0.4 -0.974 65.2-135.5-142.8 154.0 44.4 9.6 -20.5 23 28 A I E -A 59 0A 5 36,-1.5 36,-2.1 -2,-0.3 2,-0.2 -0.968 20.5-165.5-116.5 128.9 47.0 8.4 -18.0 24 29 A T > - 0 0 39 -2,-0.5 4,-2.5 -9,-0.2 5,-0.2 -0.633 36.4-109.4-106.6 165.7 50.1 6.5 -19.1 25 30 A T H > S+ 0 0 18 32,-0.3 4,-2.0 -2,-0.2 5,-0.1 0.792 120.1 57.7 -62.0 -29.4 52.6 4.5 -17.0 26 31 A K H > S+ 0 0 104 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.943 108.1 42.9 -66.7 -49.4 55.1 7.3 -17.7 27 32 A E H > S+ 0 0 8 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.906 113.0 52.8 -64.3 -41.5 52.9 10.0 -16.2 28 33 A L H X S+ 0 0 12 -4,-2.5 4,-3.3 1,-0.2 -1,-0.2 0.905 107.3 54.0 -60.6 -40.1 52.0 7.8 -13.3 29 34 A G H X S+ 0 0 0 -4,-2.0 4,-3.0 2,-0.2 5,-0.3 0.948 106.7 49.9 -57.8 -50.1 55.8 7.3 -12.8 30 35 A T H X S+ 0 0 66 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.919 113.7 46.8 -53.7 -48.4 56.3 11.1 -12.7 31 36 A V H X S+ 0 0 13 -4,-2.4 4,-0.9 2,-0.2 3,-0.2 0.962 112.1 48.8 -59.1 -55.1 53.5 11.4 -10.1 32 37 A M H ><>S+ 0 0 27 -4,-3.3 5,-2.2 1,-0.2 3,-0.9 0.901 112.4 48.8 -53.8 -44.3 54.8 8.5 -8.0 33 38 A R H ><5S+ 0 0 109 -4,-3.0 3,-2.0 1,-0.3 -1,-0.2 0.850 103.0 59.7 -67.2 -32.9 58.4 9.9 -8.0 34 39 A S H 3<5S+ 0 0 88 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.719 103.9 55.7 -66.2 -16.2 57.1 13.4 -7.0 35 40 A L T <<5S- 0 0 98 -3,-0.9 -1,-0.3 -4,-0.9 -2,-0.2 0.179 126.4-101.9 -98.4 13.2 55.8 11.6 -3.9 36 41 A G T < 5S+ 0 0 66 -3,-2.0 2,-0.3 1,-0.3 -3,-0.2 0.485 86.3 122.1 80.5 1.8 59.2 10.1 -3.0 37 42 A Q < - 0 0 112 -5,-2.2 -1,-0.3 -6,-0.2 -2,-0.2 -0.682 46.2-161.6 -98.3 152.4 58.3 6.7 -4.4 38 43 A N + 0 0 129 -2,-0.3 2,-0.1 -3,-0.1 -9,-0.1 -0.574 13.8 179.3-134.8 74.2 60.2 4.9 -7.2 39 44 A P - 0 0 17 0, 0.0 2,-0.1 0, 0.0 -6,-0.1 -0.424 27.3-120.7 -73.2 149.4 58.2 2.2 -8.8 40 45 A T > - 0 0 76 -2,-0.1 4,-2.4 1,-0.1 5,-0.2 -0.289 32.2-100.1 -78.9 171.4 59.7 0.1 -11.7 41 46 A E H > S+ 0 0 98 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.855 126.1 55.7 -61.6 -35.3 58.1 0.0 -15.1 42 47 A A H > S+ 0 0 64 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.914 108.9 46.2 -62.6 -44.9 56.6 -3.4 -14.2 43 48 A E H > S+ 0 0 95 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.909 110.9 52.4 -65.0 -42.8 55.0 -1.8 -11.1 44 49 A L H X S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.875 108.9 49.9 -60.9 -39.3 53.7 1.1 -13.1 45 50 A Q H X S+ 0 0 71 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.824 109.7 51.8 -69.1 -31.8 52.1 -1.2 -15.6 46 51 A D H X S+ 0 0 107 -4,-1.5 4,-1.8 2,-0.2 -2,-0.2 0.908 109.6 48.7 -69.1 -44.0 50.5 -3.2 -12.8 47 52 A M H < S+ 0 0 61 -4,-2.4 4,-0.4 1,-0.2 -2,-0.2 0.899 114.1 46.7 -62.6 -41.1 49.0 0.0 -11.3 48 53 A I H >X S+ 0 0 0 -4,-2.0 4,-3.0 1,-0.2 3,-1.4 0.925 109.9 53.7 -65.4 -46.0 47.7 1.1 -14.7 49 54 A N H 3< S+ 0 0 81 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.810 97.4 64.1 -59.7 -33.4 46.3 -2.4 -15.4 50 55 A E T 3< S+ 0 0 144 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.715 119.6 25.1 -65.6 -18.8 44.3 -2.4 -12.1 51 56 A V T <4 S+ 0 0 17 -3,-1.4 2,-1.1 -4,-0.4 -2,-0.2 0.654 96.7 96.9-114.8 -29.5 42.2 0.5 -13.5 52 57 A D < + 0 0 13 -4,-3.0 3,-0.3 1,-0.2 7,-0.1 -0.523 49.9 178.8 -70.8 99.9 42.6 0.2 -17.3 53 58 A A S S+ 0 0 84 -2,-1.1 -1,-0.2 1,-0.2 6,-0.1 0.961 73.8 40.2 -68.3 -60.7 39.4 -1.7 -18.2 54 59 A D S S- 0 0 103 1,-0.1 -1,-0.2 2,-0.0 -2,-0.1 0.418 104.5-127.2 -75.0 4.9 39.4 -2.1 -22.0 55 60 A G + 0 0 56 -3,-0.3 -2,-0.1 1,-0.1 4,-0.1 0.770 63.9 139.3 56.7 34.6 43.1 -2.9 -21.8 56 61 A N S S- 0 0 97 2,-0.3 -1,-0.1 1,-0.0 3,-0.1 0.317 77.7-102.9 -87.8 8.9 44.3 -0.4 -24.3 57 62 A G S S+ 0 0 27 1,-0.2 -32,-0.3 -5,-0.1 2,-0.2 0.238 91.8 68.6 95.0 -15.2 47.3 0.4 -22.0 58 63 A T S S- 0 0 33 -34,-0.1 2,-0.5 -7,-0.1 -2,-0.3 -0.792 76.2-112.4-130.2 174.8 46.2 3.7 -20.5 59 64 A I E -A 23 0A 10 -36,-2.1 -36,-1.5 -2,-0.2 2,-0.1 -0.935 25.5-165.3-113.6 116.9 43.5 5.0 -18.1 60 65 A D E >> -A 22 0A 44 -2,-0.5 4,-2.3 -38,-0.2 3,-0.6 -0.469 37.8-100.7 -90.5 171.9 40.8 7.4 -19.3 61 66 A F H 3> S+ 0 0 42 -40,-0.7 4,-4.0 1,-0.2 5,-0.3 0.896 119.8 56.8 -61.3 -42.5 38.6 9.4 -17.0 62 67 A P H 3> S+ 0 0 78 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.844 112.2 44.0 -58.9 -29.5 35.6 7.1 -17.1 63 68 A E H <> S+ 0 0 17 -3,-0.6 4,-1.5 2,-0.2 -2,-0.2 0.878 115.9 46.9 -78.4 -41.2 37.8 4.3 -15.9 64 69 A F H X S+ 0 0 8 -4,-2.3 4,-3.0 2,-0.2 5,-0.2 0.944 114.7 47.4 -62.2 -49.8 39.5 6.5 -13.3 65 70 A L H X S+ 0 0 45 -4,-4.0 4,-2.8 1,-0.2 5,-0.2 0.938 109.6 51.8 -56.0 -54.2 36.1 7.7 -12.2 66 71 A T H X S+ 0 0 82 -4,-2.0 4,-1.5 -5,-0.3 -1,-0.2 0.815 114.3 46.4 -53.3 -33.6 34.6 4.2 -12.0 67 72 A M H X S+ 0 0 52 -4,-1.5 4,-2.5 2,-0.2 -2,-0.2 0.928 111.3 47.8 -76.1 -49.8 37.6 3.3 -9.9 68 73 A M H X S+ 0 0 27 -4,-3.0 4,-2.2 2,-0.2 -2,-0.2 0.844 111.1 54.1 -60.2 -36.2 37.5 6.3 -7.5 69 74 A A H X S+ 0 0 38 -4,-2.8 4,-2.1 -5,-0.2 -1,-0.2 0.969 109.9 44.3 -63.5 -55.1 33.8 5.8 -7.0 70 75 A R H X S+ 0 0 145 -4,-1.5 4,-2.0 1,-0.2 5,-0.2 0.913 113.4 53.9 -55.3 -43.6 34.2 2.1 -6.0 71 76 A K H X S+ 0 0 107 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.881 107.4 49.1 -58.6 -43.1 37.1 3.1 -3.8 72 77 A M H X S+ 0 0 54 -4,-2.2 4,-2.7 2,-0.2 -1,-0.2 0.893 107.6 54.5 -66.3 -41.0 35.1 5.8 -1.9 73 78 A K H X S+ 0 0 149 -4,-2.1 4,-3.0 1,-0.2 5,-0.2 0.948 112.0 43.2 -57.8 -51.0 32.2 3.5 -1.2 74 79 A D H X S+ 0 0 100 -4,-2.0 4,-2.8 1,-0.2 -1,-0.2 0.851 111.9 55.7 -63.7 -34.2 34.5 0.9 0.4 75 80 A T H X S+ 0 0 77 -4,-1.8 4,-1.6 -5,-0.2 -2,-0.2 0.918 112.8 41.1 -63.2 -44.8 36.3 3.8 2.2 76 81 A D H X S+ 0 0 88 -4,-2.7 4,-1.9 2,-0.2 -2,-0.2 0.925 114.8 50.4 -69.6 -47.0 33.0 5.0 3.7 77 82 A S H X S+ 0 0 63 -4,-3.0 4,-2.3 1,-0.2 3,-0.4 0.952 108.5 54.0 -54.8 -50.8 31.7 1.4 4.5 78 83 A E H X S+ 0 0 70 -4,-2.8 4,-1.7 1,-0.3 -1,-0.2 0.895 108.4 49.1 -50.4 -46.2 35.0 0.7 6.2 79 84 A E H X S+ 0 0 78 -4,-1.6 4,-1.4 1,-0.2 -1,-0.3 0.831 109.0 52.2 -66.1 -33.9 34.5 3.7 8.4 80 85 A E H X S+ 0 0 127 -4,-1.9 4,-2.1 -3,-0.4 -1,-0.2 0.880 107.3 51.4 -70.6 -37.5 31.0 2.8 9.3 81 86 A I H X S+ 0 0 51 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.895 111.5 49.4 -64.3 -38.4 32.0 -0.7 10.4 82 87 A R H X S+ 0 0 109 -4,-1.7 4,-2.1 -5,-0.3 -1,-0.2 0.796 107.8 53.1 -70.1 -30.9 34.6 0.9 12.6 83 88 A E H X S+ 0 0 93 -4,-1.4 4,-1.6 2,-0.2 -2,-0.2 0.904 110.3 48.1 -70.2 -41.4 32.1 3.3 14.1 84 89 A A H X S+ 0 0 38 -4,-2.1 4,-1.9 2,-0.2 3,-0.3 0.939 110.8 50.8 -62.4 -49.9 29.9 0.4 15.0 85 90 A F H X S+ 0 0 12 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.925 107.8 53.8 -54.2 -47.7 32.8 -1.5 16.5 86 91 A R H < S+ 0 0 130 -4,-2.1 -1,-0.2 1,-0.2 6,-0.2 0.855 104.8 54.2 -57.7 -36.7 33.7 1.6 18.6 87 92 A V H < S+ 0 0 82 -4,-1.6 -1,-0.2 -3,-0.3 -2,-0.2 0.917 113.4 41.9 -64.3 -42.1 30.2 1.8 20.0 88 93 A F H < S+ 0 0 37 -4,-1.9 2,-2.4 1,-0.2 9,-0.3 0.838 98.2 77.5 -74.2 -31.8 30.4 -1.8 21.2 89 94 A D >< + 0 0 8 -4,-2.6 3,-2.9 -5,-0.2 -1,-0.2 -0.379 67.1 177.1 -78.2 64.1 34.0 -1.4 22.4 90 95 A K T 3 S+ 0 0 137 -2,-2.4 -1,-0.2 1,-0.3 6,-0.1 0.828 76.9 36.1 -33.6 -67.1 32.9 0.4 25.6 91 96 A D T 3 S- 0 0 97 -3,-0.2 -1,-0.3 4,-0.2 -2,-0.1 0.352 105.4-132.5 -77.4 9.1 36.2 1.0 27.3 92 97 A G < + 0 0 54 -3,-2.9 -2,-0.1 -6,-0.2 -1,-0.1 0.702 63.1 134.6 48.5 32.5 37.8 1.5 23.9 93 98 A N S S- 0 0 85 2,-0.3 -1,-0.1 1,-0.0 3,-0.1 0.465 80.3-100.3 -89.3 2.7 40.7 -0.8 24.3 94 99 A G S S+ 0 0 30 1,-0.2 40,-0.6 -5,-0.2 2,-0.4 0.462 95.0 89.2 97.5 2.0 40.2 -2.5 20.9 95 100 A F E -B 133 0B 68 38,-0.2 2,-0.6 39,-0.1 -2,-0.3 -0.996 67.3-138.3-132.2 135.8 38.5 -5.7 22.0 96 101 A I E -B 132 0B 5 36,-3.3 36,-3.0 -2,-0.4 2,-0.2 -0.844 26.1-163.1 -94.4 121.1 34.8 -6.3 22.4 97 102 A S > - 0 0 25 -2,-0.6 4,-2.8 -9,-0.3 5,-0.2 -0.637 31.3-111.7 -99.7 162.2 34.2 -8.3 25.6 98 103 A A H > S+ 0 0 19 32,-0.4 4,-2.7 -2,-0.2 5,-0.2 0.904 118.4 51.9 -56.8 -43.0 31.0 -10.2 26.6 99 104 A A H > S+ 0 0 70 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.910 112.6 44.2 -61.0 -45.1 30.3 -7.7 29.4 100 105 A E H > S+ 0 0 11 2,-0.2 4,-3.4 1,-0.2 5,-0.3 0.920 113.8 50.0 -66.1 -44.4 30.6 -4.7 27.1 101 106 A L H X S+ 0 0 21 -4,-2.8 4,-2.1 2,-0.2 -2,-0.2 0.890 112.8 47.1 -60.5 -42.0 28.6 -6.4 24.4 102 107 A R H X S+ 0 0 89 -4,-2.7 4,-2.4 -5,-0.2 5,-0.2 0.976 116.8 44.4 -62.1 -55.7 25.8 -7.2 27.0 103 108 A H H X S+ 0 0 71 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.932 115.9 43.8 -54.6 -57.9 25.9 -3.7 28.4 104 109 A V H < S+ 0 0 11 -4,-3.4 -1,-0.2 -16,-0.2 6,-0.2 0.912 113.0 54.7 -58.2 -43.2 26.0 -1.8 25.1 105 110 A M H ><>S+ 0 0 42 -4,-2.1 5,-3.4 -5,-0.3 3,-1.4 0.911 108.9 45.7 -57.1 -47.4 23.3 -4.1 23.7 106 111 A T H ><5S+ 0 0 40 -4,-2.4 3,-2.6 1,-0.3 -1,-0.2 0.936 109.0 55.7 -63.5 -43.7 20.9 -3.5 26.5 107 112 A N T 3<5S+ 0 0 114 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.454 109.7 49.9 -67.7 2.8 21.5 0.3 26.3 108 113 A L T < 5S- 0 0 103 -3,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.184 130.1 -94.7-122.3 9.4 20.5 -0.2 22.6 109 114 A G T < 5S+ 0 0 65 -3,-2.6 2,-0.7 1,-0.1 -3,-0.2 0.489 91.4 116.9 90.4 4.0 17.3 -2.1 23.4 110 115 A E < - 0 0 90 -5,-3.4 2,-0.6 -6,-0.2 -2,-0.1 -0.853 46.2-164.4-111.7 101.3 18.7 -5.6 23.0 111 116 A K + 0 0 168 -2,-0.7 2,-0.3 -5,-0.1 -8,-0.1 -0.722 17.5 164.9 -89.1 121.8 18.6 -7.6 26.3 112 117 A L - 0 0 28 -2,-0.6 2,-0.1 -10,-0.2 -6,-0.1 -0.912 30.6-120.7-131.2 157.8 20.8 -10.7 26.4 113 118 A T > - 0 0 77 -2,-0.3 4,-2.3 1,-0.1 5,-0.3 -0.468 32.9-104.6 -93.0 169.1 22.0 -13.0 29.1 114 119 A D H > S+ 0 0 116 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.859 122.4 52.7 -58.7 -38.3 25.7 -13.7 30.0 115 120 A E H > S+ 0 0 116 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.931 109.3 47.8 -64.5 -46.9 25.3 -17.1 28.3 116 121 A E H > S+ 0 0 89 1,-0.2 4,-1.6 2,-0.2 -2,-0.2 0.898 112.5 46.5 -62.9 -45.3 24.0 -15.6 25.1 117 122 A V H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.824 109.4 57.8 -68.4 -28.7 26.7 -12.9 24.7 118 123 A D H X S+ 0 0 62 -4,-1.5 4,-2.6 -5,-0.3 -2,-0.2 0.918 105.8 48.7 -63.6 -44.6 29.3 -15.6 25.6 119 124 A E H X S+ 0 0 92 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.850 111.5 49.5 -64.4 -36.0 28.1 -17.6 22.6 120 125 A M H X S+ 0 0 61 -4,-1.6 4,-0.9 2,-0.2 -2,-0.2 0.913 111.5 48.5 -70.0 -43.1 28.3 -14.6 20.3 121 126 A I H >X S+ 0 0 10 -4,-2.4 4,-1.3 1,-0.2 3,-0.7 0.934 112.8 48.9 -60.5 -47.9 31.8 -13.7 21.5 122 127 A R H 3< S+ 0 0 148 -4,-2.6 3,-0.4 1,-0.2 -2,-0.2 0.900 105.0 57.2 -58.3 -46.8 32.9 -17.3 21.0 123 128 A E H 3< S+ 0 0 143 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.743 118.0 34.0 -58.7 -24.3 31.5 -17.6 17.5 124 129 A A H << S+ 0 0 8 -4,-0.9 2,-2.2 -3,-0.7 -1,-0.2 0.540 88.8 103.3-107.9 -10.1 33.6 -14.6 16.4 125 130 A D >< + 0 0 26 -4,-1.3 3,-1.9 -3,-0.4 5,-0.1 -0.354 38.5 161.8 -77.4 64.7 36.7 -15.2 18.6 126 131 A I T 3 S+ 0 0 118 -2,-2.2 -1,-0.2 1,-0.3 6,-0.1 0.878 75.6 44.0 -48.7 -51.8 39.0 -16.6 15.9 127 132 A D T 3 S- 0 0 86 -3,-0.2 -1,-0.3 1,-0.1 -2,-0.1 0.405 106.3-130.9 -80.3 3.9 42.2 -16.1 17.8 128 133 A G < + 0 0 56 -3,-1.9 -2,-0.1 -6,-0.1 -3,-0.1 0.665 65.2 130.7 57.4 26.0 40.6 -17.5 20.9 129 134 A D S S- 0 0 76 2,-0.3 -1,-0.1 1,-0.0 3,-0.1 0.582 79.0-104.9 -85.8 -6.7 41.6 -14.8 23.4 130 135 A G S S+ 0 0 42 1,-0.3 -32,-0.4 -5,-0.1 2,-0.3 0.400 91.6 64.8 104.2 -4.4 38.1 -14.3 24.8 131 136 A Q S S- 0 0 58 -34,-0.1 2,-0.6 -10,-0.1 -2,-0.3 -0.937 82.5-104.2-144.0 164.1 37.0 -11.0 23.2 132 137 A V E -B 96 0B 8 -36,-3.0 -36,-3.3 -2,-0.3 -7,-0.1 -0.826 32.4-163.7 -98.1 117.8 36.3 -9.8 19.6 133 138 A N E > -B 95 0B 26 -2,-0.6 4,-2.2 -38,-0.2 -38,-0.2 -0.329 39.4 -92.8 -87.8 178.4 39.0 -7.5 18.0 134 139 A Y H > S+ 0 0 37 -40,-0.6 4,-2.7 1,-0.2 5,-0.2 0.926 124.0 51.0 -58.1 -46.6 38.3 -5.4 15.0 135 140 A E H > S+ 0 0 116 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.911 112.6 45.7 -58.4 -44.2 39.5 -8.0 12.5 136 141 A E H > S+ 0 0 6 2,-0.2 4,-1.8 1,-0.2 5,-0.3 0.870 109.9 56.1 -67.3 -35.3 37.3 -10.6 14.0 137 142 A F H X S+ 0 0 16 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.950 109.1 46.3 -60.2 -51.1 34.4 -8.1 14.1 138 143 A V H < S+ 0 0 50 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.923 110.0 52.4 -58.5 -47.3 34.8 -7.5 10.3 139 144 A T H < S+ 0 0 106 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.841 115.6 43.8 -59.2 -31.8 35.0 -11.2 9.5 140 145 A M H < 0 0 76 -4,-1.8 -2,-0.2 -3,-0.2 -3,-0.2 0.919 360.0 360.0 -88.6 -34.6 31.8 -11.7 11.5 141 146 A M < 0 0 160 -4,-2.8 -3,-0.2 -5,-0.3 -4,-0.0 0.753 360.0 360.0-125.7 360.0 29.8 -8.8 10.2