==== 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 CALCIUM-BINDING PROTEIN 17-JUN-99 1QIV . COMPND 2 MOLECULE: CALMODULIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR V.HARMAT,Z.S.BOCSKEI,B.G.VERTESSY,G.NARAY-SZABO,J.OVADI . 144 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8893.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 95 66.0 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 3.5 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 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 68 47.2 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 0 1 1 2 3 0 0 1 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 3 A Q 0 0 238 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -52.4 19.8 12.7 29.4 2 4 A L - 0 0 66 4,-0.0 2,-0.3 3,-0.0 69,-0.0 -0.788 360.0-150.3 -97.0 140.8 18.6 9.3 28.2 3 5 A T > - 0 0 61 -2,-0.4 4,-2.6 1,-0.1 5,-0.2 -0.740 29.0-112.2-109.5 159.4 14.9 8.5 28.4 4 6 A E H > S+ 0 0 85 -2,-0.3 4,-1.2 1,-0.2 -1,-0.1 0.739 120.7 55.3 -57.9 -19.8 13.1 5.2 28.9 5 7 A E H > S+ 0 0 125 2,-0.2 4,-2.2 3,-0.1 5,-0.2 0.937 105.5 45.9 -79.1 -50.2 12.0 5.7 25.3 6 8 A Q H > S+ 0 0 66 1,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.923 113.9 52.1 -57.5 -43.3 15.4 6.1 23.8 7 9 A I H X S+ 0 0 62 -4,-2.6 4,-0.9 1,-0.2 -1,-0.2 0.876 110.5 47.6 -59.9 -39.0 16.4 3.1 25.8 8 10 A A H X S+ 0 0 56 -4,-1.2 4,-1.1 -5,-0.2 -1,-0.2 0.786 110.5 50.5 -74.2 -28.0 13.4 1.1 24.4 9 11 A E H X S+ 0 0 109 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.778 109.3 53.2 -78.4 -24.4 14.2 2.2 20.9 10 12 A F H X S+ 0 0 43 -4,-1.7 4,-1.3 -5,-0.2 -2,-0.2 0.702 106.3 52.0 -78.5 -25.4 17.8 1.0 21.5 11 13 A K H X S+ 0 0 101 -4,-0.9 4,-1.2 2,-0.2 -2,-0.2 0.776 109.4 51.2 -81.0 -28.6 16.5 -2.4 22.6 12 14 A E H >X S+ 0 0 140 -4,-1.1 3,-0.9 2,-0.2 4,-0.8 0.980 110.4 45.5 -70.5 -58.0 14.5 -2.6 19.4 13 15 A A H >X S+ 0 0 32 -4,-2.1 3,-1.4 1,-0.3 4,-1.3 0.876 107.1 60.9 -51.6 -40.9 17.4 -1.8 17.1 14 16 A F H 3X S+ 0 0 4 -4,-1.3 4,-2.6 1,-0.3 3,-0.5 0.916 100.8 55.1 -52.5 -42.7 19.4 -4.3 19.2 15 17 A S H << S+ 0 0 65 -4,-1.2 -1,-0.3 -3,-0.9 -2,-0.2 0.731 97.0 63.6 -64.4 -23.2 16.9 -6.9 18.1 16 18 A L H << S+ 0 0 29 -3,-1.4 -1,-0.2 -4,-0.8 -2,-0.2 0.932 112.9 35.0 -65.9 -42.2 17.5 -6.0 14.4 17 19 A F H < S+ 0 0 43 -4,-1.3 2,-2.2 -3,-0.5 -2,-0.2 0.944 108.4 64.3 -75.4 -52.1 21.1 -7.3 14.9 18 20 A D >< + 0 0 10 -4,-2.6 3,-1.3 1,-0.2 -1,-0.2 -0.474 63.0 164.5 -76.4 73.8 20.6 -10.1 17.3 19 21 A K T 3 S+ 0 0 96 -2,-2.2 -1,-0.2 1,-0.3 -2,-0.1 0.789 70.3 53.8 -64.2 -34.7 18.5 -12.3 14.9 20 22 A D T 3 S- 0 0 99 4,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.395 105.5-131.0 -82.9 8.2 18.7 -15.6 16.9 21 23 A G < + 0 0 58 -3,-1.3 -2,-0.1 -6,-0.2 4,-0.1 0.779 66.0 132.0 49.2 38.2 17.4 -13.6 19.8 22 24 A D S S- 0 0 88 2,-0.3 -1,-0.1 0, 0.0 3,-0.1 0.344 77.8-107.9 -99.4 6.6 20.1 -14.9 22.2 23 25 A G S S+ 0 0 34 -5,-0.2 40,-0.5 1,-0.2 2,-0.4 0.542 89.9 89.6 83.0 7.0 21.0 -11.5 23.6 24 26 A T E -A 62 0A 33 38,-0.2 2,-0.5 39,-0.1 -2,-0.3 -0.996 65.9-138.5-137.5 141.4 24.4 -11.2 21.9 25 27 A I E -A 61 0A 5 36,-2.3 36,-2.0 -2,-0.4 2,-0.2 -0.844 23.3-164.9-100.3 135.0 25.4 -9.8 18.5 26 28 A T > - 0 0 23 -2,-0.5 4,-2.1 -9,-0.2 5,-0.1 -0.541 35.6-107.7-108.8 176.6 28.0 -11.8 16.6 27 29 A T H > S+ 0 0 35 2,-0.2 4,-2.8 -2,-0.2 5,-0.2 0.861 122.6 54.2 -72.3 -35.3 30.2 -10.9 13.6 28 30 A K H > S+ 0 0 146 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.945 111.2 44.1 -62.0 -48.4 27.9 -13.2 11.5 29 31 A E H > S+ 0 0 16 1,-0.2 4,-1.4 2,-0.2 -2,-0.2 0.874 114.3 49.9 -64.8 -37.9 24.8 -11.3 12.7 30 32 A L H X S+ 0 0 17 -4,-2.1 4,-2.8 2,-0.2 -2,-0.2 0.912 109.6 52.9 -65.5 -42.6 26.6 -7.9 12.1 31 33 A G H X S+ 0 0 0 -4,-2.8 4,-2.9 1,-0.2 5,-0.2 0.923 105.5 51.7 -60.0 -47.0 27.7 -9.0 8.6 32 34 A T H X S+ 0 0 58 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.877 112.6 46.2 -61.3 -35.3 24.2 -9.9 7.5 33 35 A V H X S+ 0 0 4 -4,-1.4 4,-1.7 2,-0.2 -1,-0.2 0.939 110.3 53.3 -71.0 -45.4 22.9 -6.5 8.6 34 36 A M H <>S+ 0 0 33 -4,-2.8 5,-2.6 1,-0.2 3,-0.5 0.940 111.7 46.2 -52.7 -49.3 25.8 -4.8 6.9 35 37 A R H ><5S+ 0 0 122 -4,-2.9 3,-2.2 1,-0.2 -1,-0.2 0.910 105.1 58.1 -62.8 -42.6 25.0 -6.6 3.7 36 38 A S H 3<5S+ 0 0 25 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.847 107.2 52.5 -56.3 -28.4 21.2 -5.9 3.9 37 39 A L T 3<5S- 0 0 48 -4,-1.7 -1,-0.3 -3,-0.5 -2,-0.2 -0.084 125.5-103.9 -96.8 31.1 22.4 -2.2 4.0 38 40 A G T < 5S+ 0 0 56 -3,-2.2 2,-0.3 1,-0.2 -3,-0.2 0.605 81.6 129.1 59.3 13.7 24.5 -2.6 0.8 39 41 A Q < - 0 0 52 -5,-2.6 -1,-0.2 -6,-0.2 -2,-0.1 -0.721 41.8-163.3 -97.8 151.2 27.7 -2.7 2.8 40 42 A N + 0 0 131 -2,-0.3 -9,-0.1 -3,-0.1 -5,-0.0 -0.419 17.3 168.9-135.1 63.9 30.3 -5.4 2.2 41 43 A P - 0 0 21 0, 0.0 2,-0.1 0, 0.0 -6,-0.1 -0.273 31.8-120.4 -70.0 160.0 32.8 -5.6 5.1 42 44 A T > - 0 0 65 1,-0.1 4,-3.2 0, 0.0 5,-0.2 -0.457 31.4 -99.4 -93.5 172.1 35.2 -8.6 5.4 43 45 A E H > S+ 0 0 139 1,-0.2 4,-3.9 2,-0.2 5,-0.2 0.960 126.6 53.6 -55.5 -48.5 35.4 -10.9 8.3 44 46 A A H > S+ 0 0 38 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.918 111.9 42.7 -50.4 -53.2 38.4 -8.9 9.5 45 47 A E H > S+ 0 0 95 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.921 113.4 51.8 -62.5 -43.7 36.5 -5.6 9.3 46 48 A L H X S+ 0 0 14 -4,-3.2 4,-2.0 1,-0.2 -2,-0.2 0.965 111.3 49.4 -55.5 -49.7 33.4 -7.2 10.9 47 49 A Q H X S+ 0 0 103 -4,-3.9 4,-1.8 -5,-0.2 -1,-0.2 0.823 110.9 49.9 -56.6 -36.0 35.7 -8.4 13.6 48 50 A D H X S+ 0 0 99 -4,-2.0 4,-2.0 -5,-0.2 -1,-0.2 0.893 107.3 53.3 -72.6 -40.0 37.1 -4.9 14.0 49 51 A M H X S+ 0 0 72 -4,-2.9 4,-0.6 1,-0.2 -2,-0.2 0.894 114.7 41.7 -61.4 -39.5 33.7 -3.3 14.2 50 52 A I H X S+ 0 0 4 -4,-2.0 4,-1.6 -5,-0.2 3,-0.3 0.816 110.5 54.9 -77.9 -34.8 32.7 -5.6 17.1 51 53 A N H < S+ 0 0 92 -4,-1.8 3,-0.3 1,-0.2 6,-0.2 0.943 102.0 58.9 -64.6 -46.0 36.0 -5.5 19.0 52 54 A E H < S+ 0 0 182 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.772 117.1 32.6 -52.7 -31.0 35.9 -1.7 19.1 53 55 A V H < S+ 0 0 27 -4,-0.6 2,-2.4 -3,-0.3 -1,-0.3 0.598 89.0 106.0-102.8 -15.7 32.6 -1.9 21.0 54 56 A D >< + 0 0 16 -4,-1.6 3,-1.7 -3,-0.3 7,-0.1 -0.400 43.2 173.6 -67.8 78.6 33.3 -5.1 22.9 55 57 A A T 3 S+ 0 0 90 -2,-2.4 -1,-0.2 1,-0.3 6,-0.1 0.809 77.3 42.0 -57.4 -33.9 33.9 -3.5 26.2 56 58 A D T 3 S- 0 0 88 4,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.094 101.0-128.9-103.8 23.0 34.2 -6.8 28.0 57 59 A G < + 0 0 61 -3,-1.7 -2,-0.1 -6,-0.2 -3,-0.1 0.561 66.6 134.3 43.0 11.9 36.3 -8.6 25.4 58 60 A N S S- 0 0 74 2,-0.2 -1,-0.2 1,-0.1 3,-0.1 0.658 75.1-114.8 -63.5 -15.0 33.8 -11.5 25.5 59 61 A G S S+ 0 0 39 1,-0.4 2,-0.2 -9,-0.1 -1,-0.1 0.001 87.8 63.0 106.4 -31.2 33.9 -11.6 21.7 60 62 A T S S- 0 0 34 -34,-0.1 2,-0.6 -4,-0.1 -1,-0.4 -0.623 83.2-106.3-118.6-179.7 30.3 -10.5 21.1 61 63 A I E -A 25 0A 5 -36,-2.0 -36,-2.3 -2,-0.2 2,-0.1 -0.935 28.4-168.8-116.4 114.7 28.1 -7.5 21.8 62 64 A D E > -A 24 0A 43 -2,-0.6 4,-1.5 -38,-0.2 3,-0.4 -0.446 41.9 -95.7 -90.6 173.3 25.5 -7.6 24.6 63 65 A F H >> S+ 0 0 44 -40,-0.5 4,-3.5 1,-0.2 3,-0.6 0.927 122.1 56.7 -55.3 -52.4 22.9 -4.9 25.0 64 66 A P H 3> S+ 0 0 79 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.858 110.1 46.4 -49.4 -37.9 24.8 -2.9 27.6 65 67 A E H 3> S+ 0 0 10 -3,-0.4 4,-1.8 2,-0.2 -2,-0.2 0.816 114.5 48.5 -74.1 -30.0 27.7 -2.6 25.2 66 68 A F H > - 0 0 49 1,-0.2 3,-1.3 2,-0.1 4,-0.8 -0.526 51.5-171.5 -66.6 102.4 34.0 11.0 9.9 80 82 A E H 3> S+ 0 0 102 -2,-1.0 4,-3.0 -3,-0.3 5,-0.2 0.812 78.2 74.5 -66.3 -29.6 31.1 12.6 8.0 81 83 A E H 3> S+ 0 0 68 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.729 94.4 55.1 -55.4 -21.8 31.7 10.2 5.1 82 84 A E H <> S+ 0 0 112 -3,-1.3 4,-2.4 2,-0.2 -1,-0.2 0.933 107.4 44.7 -77.3 -49.2 30.1 7.6 7.4 83 85 A I H X S+ 0 0 28 -4,-0.8 4,-2.5 1,-0.2 -2,-0.2 0.912 114.2 52.7 -58.5 -44.5 26.9 9.6 8.0 84 86 A R H X S+ 0 0 91 -4,-3.0 4,-1.9 2,-0.2 -1,-0.2 0.918 107.5 49.6 -57.4 -47.1 26.9 10.2 4.2 85 87 A E H X S+ 0 0 74 -4,-1.6 4,-0.8 -5,-0.2 -1,-0.2 0.914 111.5 51.1 -58.7 -41.8 27.2 6.5 3.5 86 88 A A H >X S+ 0 0 35 -4,-2.4 4,-0.8 1,-0.2 3,-0.5 0.861 107.0 52.4 -63.9 -39.2 24.3 5.9 5.9 87 89 A F H 3X S+ 0 0 4 -4,-2.5 4,-2.2 1,-0.2 3,-0.4 0.861 103.3 58.9 -65.9 -35.8 22.1 8.5 4.2 88 90 A R H 3< S+ 0 0 140 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.734 95.8 61.8 -67.1 -25.1 22.6 6.9 0.8 89 91 A V H << S+ 0 0 32 -4,-0.8 -1,-0.2 -3,-0.5 3,-0.2 0.880 113.2 36.3 -70.0 -35.7 21.2 3.6 2.0 90 92 A F H < S+ 0 0 42 -4,-0.8 2,-3.1 -3,-0.4 -2,-0.2 0.979 107.8 62.4 -76.9 -66.6 17.9 5.2 2.7 91 93 A D >< + 0 0 8 -4,-2.2 3,-1.1 1,-0.2 -1,-0.2 -0.299 64.9 164.4 -62.3 74.1 17.7 7.7 -0.2 92 94 A K T 3 S+ 0 0 106 -2,-3.1 -1,-0.2 1,-0.3 -2,-0.1 0.672 71.8 52.6 -68.8 -20.6 17.7 4.9 -2.8 93 95 A D T 3 S- 0 0 96 4,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.507 103.3-134.2 -91.2 -6.6 16.6 7.2 -5.6 94 96 A G < + 0 0 60 -3,-1.1 -2,-0.1 -6,-0.2 -3,-0.1 0.682 65.2 130.2 63.0 20.1 19.4 9.6 -4.8 95 97 A N S S- 0 0 84 2,-0.2 -1,-0.1 1,-0.0 3,-0.1 0.558 80.1-106.2 -82.4 -6.8 17.1 12.6 -4.9 96 98 A G S S+ 0 0 25 1,-0.1 40,-0.5 -5,-0.1 2,-0.4 0.495 90.3 91.5 97.9 4.1 18.3 14.0 -1.6 97 99 A Y - 0 0 93 38,-0.2 2,-0.6 39,-0.1 38,-0.2 -0.974 64.4-142.3-139.3 124.0 15.2 13.2 0.4 98 100 A I B -B 134 0B 6 36,-3.8 36,-1.9 -2,-0.4 2,-0.2 -0.738 24.8-165.8 -84.4 119.9 14.3 10.1 2.5 99 101 A S > - 0 0 26 -2,-0.6 4,-2.2 34,-0.2 5,-0.2 -0.597 36.3-106.7 -99.0 164.0 10.6 9.3 2.0 100 102 A A H > S+ 0 0 23 32,-0.3 4,-4.1 1,-0.2 5,-0.2 0.907 122.9 57.4 -58.0 -39.2 8.7 6.8 4.2 101 103 A A H > S+ 0 0 42 1,-0.2 4,-3.8 2,-0.2 5,-0.3 0.971 106.8 46.0 -52.8 -59.3 8.8 4.5 1.3 102 104 A E H > S+ 0 0 5 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.834 116.0 47.2 -52.6 -36.5 12.6 4.5 1.2 103 105 A L H X S+ 0 0 14 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.930 113.6 47.6 -71.0 -46.8 12.5 4.1 5.0 104 106 A R H X S+ 0 0 60 -4,-4.1 4,-2.9 1,-0.2 5,-0.3 0.965 107.8 55.2 -56.7 -56.1 10.0 1.3 4.7 105 107 A H H X S+ 0 0 92 -4,-3.8 4,-2.2 1,-0.2 -1,-0.2 0.860 109.5 47.9 -46.4 -43.5 12.0 -0.5 2.0 106 108 A V H X S+ 0 0 10 -4,-1.4 4,-1.2 -5,-0.3 -1,-0.2 0.935 110.6 50.7 -65.2 -47.3 15.1 -0.5 4.3 107 109 A M H ><>S+ 0 0 23 -4,-2.3 5,-2.6 2,-0.2 3,-1.5 0.960 109.4 50.8 -54.4 -54.8 13.1 -1.9 7.2 108 110 A T H ><5S+ 0 0 96 -4,-2.9 3,-2.3 1,-0.3 -1,-0.2 0.928 109.7 50.6 -47.7 -51.9 11.7 -4.7 5.0 109 111 A N H 3<5S+ 0 0 104 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.730 104.3 58.9 -61.9 -20.8 15.2 -5.5 3.9 110 112 A L T <<5S- 0 0 15 -3,-1.5 -1,-0.3 -4,-1.2 -2,-0.2 0.357 124.2-105.0 -88.4 5.1 16.2 -5.6 7.6 111 113 A G T < 5S+ 0 0 67 -3,-2.3 2,-0.3 1,-0.3 -3,-0.2 0.565 81.9 135.5 81.2 9.7 13.6 -8.3 8.2 112 114 A E < - 0 0 77 -5,-2.6 2,-0.4 -6,-0.2 -1,-0.3 -0.701 40.5-163.2 -96.7 143.5 11.5 -5.6 9.9 113 115 A K + 0 0 83 -2,-0.3 2,-0.3 -3,-0.1 -9,-0.0 -0.990 14.8 176.7-126.4 122.9 7.8 -5.1 9.4 114 116 A L - 0 0 37 -2,-0.4 -6,-0.0 -10,-0.1 2,-0.0 -0.937 30.4-111.8-129.3 152.1 6.2 -1.8 10.4 115 117 A T > - 0 0 72 -2,-0.3 4,-1.9 1,-0.1 5,-0.2 -0.348 38.1-107.8 -73.0 158.7 2.7 -0.3 10.2 116 118 A D H > S+ 0 0 106 1,-0.2 4,-1.7 2,-0.2 -1,-0.1 0.861 123.1 49.5 -55.4 -34.3 2.3 2.7 8.0 117 119 A E H > S+ 0 0 128 2,-0.2 4,-3.0 1,-0.2 5,-0.3 0.863 101.9 59.1 -73.6 -39.5 2.0 4.8 11.1 118 120 A E H > S+ 0 0 81 1,-0.2 4,-1.4 2,-0.2 -2,-0.2 0.957 111.8 42.8 -52.3 -51.7 5.1 3.4 12.8 119 121 A V H X S+ 0 0 0 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.878 112.3 52.6 -61.9 -43.8 7.1 4.7 9.8 120 122 A D H X S+ 0 0 70 -4,-1.7 4,-2.7 1,-0.2 5,-0.2 0.931 108.1 49.8 -60.4 -48.4 5.3 8.0 9.6 121 123 A E H X S+ 0 0 45 -4,-3.0 4,-1.8 1,-0.2 -1,-0.2 0.858 109.8 55.3 -58.8 -33.1 6.0 8.8 13.2 122 124 A M H X S+ 0 0 75 -4,-1.4 4,-0.8 -5,-0.3 -2,-0.2 0.933 109.1 44.3 -65.0 -48.4 9.6 7.9 12.4 123 125 A I H >X S+ 0 0 11 -4,-2.3 4,-2.6 1,-0.2 3,-1.0 0.940 111.6 54.2 -61.7 -47.7 9.9 10.4 9.5 124 126 A R H 3< S+ 0 0 158 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.854 103.9 53.0 -57.7 -39.9 8.2 13.1 11.6 125 127 A E H 3< S+ 0 0 115 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.738 116.1 42.6 -69.6 -18.4 10.6 12.9 14.5 126 128 A A H << S+ 0 0 11 -3,-1.0 -2,-0.2 -4,-0.8 -1,-0.2 0.780 94.6 95.9 -93.3 -33.9 13.4 13.3 11.9 127 129 A D < + 0 0 28 -4,-2.6 7,-0.1 1,-0.2 -4,-0.0 -0.331 40.6 169.0 -59.7 133.8 11.6 16.0 9.9 128 130 A I S S+ 0 0 103 -2,-0.0 -1,-0.2 0, 0.0 6,-0.1 0.669 77.3 40.5-116.5 -34.5 12.7 19.5 10.9 129 131 A D S S- 0 0 91 4,-0.2 -2,-0.1 0, 0.0 5,-0.1 0.524 103.0-122.7 -93.7 -8.6 11.2 21.7 8.2 130 132 A G S S+ 0 0 61 3,-0.2 -3,-0.1 -6,-0.1 -6,-0.0 0.537 71.4 129.2 81.3 8.0 7.9 19.8 7.9 131 133 A D S S- 0 0 73 2,-0.2 3,-0.1 1,-0.1 -1,-0.1 0.400 79.1-114.9 -76.3 5.8 8.1 18.9 4.3 132 134 A G S S+ 0 0 43 1,-0.3 -32,-0.3 -8,-0.1 2,-0.3 0.558 87.3 83.5 74.1 7.3 7.3 15.3 5.3 133 135 A Q S S- 0 0 61 -34,-0.1 2,-0.5 -10,-0.1 -1,-0.3 -0.810 75.9-119.2-132.1 172.4 10.7 14.0 4.1 134 136 A V B -B 98 0B 5 -36,-1.9 -36,-3.8 -2,-0.3 2,-0.1 -0.975 28.3-170.4-119.7 125.0 14.2 13.8 5.6 135 137 A N > - 0 0 32 -2,-0.5 4,-2.8 -38,-0.2 5,-0.2 -0.363 39.9 -91.9-101.3-174.5 17.0 15.6 3.9 136 138 A Y H > S+ 0 0 43 -40,-0.5 4,-3.7 2,-0.2 5,-0.2 0.979 124.1 48.3 -65.0 -55.2 20.8 15.4 4.5 137 139 A E H > S+ 0 0 111 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.904 116.1 45.9 -50.5 -44.4 21.0 18.3 6.9 138 140 A E H > S+ 0 0 6 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.924 113.1 49.6 -65.1 -44.8 18.1 16.8 8.8 139 141 A F H X S+ 0 0 5 -4,-2.8 4,-1.8 1,-0.2 -2,-0.2 0.928 108.0 55.1 -59.2 -45.9 19.6 13.3 8.7 140 142 A V H X S+ 0 0 28 -4,-3.7 4,-1.7 1,-0.2 3,-0.4 0.948 105.1 52.2 -52.6 -54.5 22.9 14.7 9.9 141 143 A Q H < S+ 0 0 115 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.846 112.4 42.3 -54.5 -42.5 21.3 16.2 13.1 142 144 A M H < S+ 0 0 100 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.775 113.6 53.6 -77.4 -24.4 19.5 13.1 14.3 143 145 A M H < 0 0 77 -4,-1.8 -2,-0.2 -3,-0.4 -1,-0.2 0.745 360.0 360.0 -79.1 -25.4 22.5 10.9 13.5 144 146 A T < 0 0 73 -4,-1.7 -1,-0.2 -5,-0.2 -71,-0.1 -0.625 360.0 360.0-102.2 360.0 24.9 13.1 15.5