==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL BINDING PROTEIN 15-JAN-08 3BYA . COMPND 2 MOLECULE: CALMODULIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR G.BIRRANE,A.SONI,J.A.A.LADIAS . 157 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8443.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 111 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 3.2 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 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 80 51.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.3 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 1 1 1 3 0 0 1 0 1 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 0 243 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 100.3 14.7 5.1 32.4 2 4 A L - 0 0 85 1,-0.1 2,-0.2 2,-0.1 0, 0.0 -0.012 360.0 -99.9 -72.2 174.1 12.4 3.5 29.8 3 5 A T > - 0 0 59 1,-0.1 4,-2.9 0, 0.0 5,-0.2 -0.533 28.0-111.8 -91.6 159.6 9.1 1.5 30.2 4 6 A E H > S+ 0 0 173 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.873 121.2 52.2 -53.1 -43.7 8.6 -2.2 30.2 5 7 A E H > S+ 0 0 126 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.915 110.9 46.4 -56.3 -48.8 6.8 -1.8 26.9 6 8 A Q H > S+ 0 0 73 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.903 110.2 52.1 -66.5 -42.7 9.7 0.1 25.4 7 9 A I H X S+ 0 0 67 -4,-2.9 4,-2.6 2,-0.2 -1,-0.2 0.940 109.8 49.6 -59.2 -48.0 12.4 -2.4 26.6 8 10 A A H X S+ 0 0 58 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.869 110.9 52.0 -54.6 -42.3 10.4 -5.2 25.1 9 11 A E H X S+ 0 0 36 -4,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.876 111.3 44.7 -59.9 -45.2 10.3 -3.2 21.9 10 12 A F H X S+ 0 0 32 -4,-2.5 4,-3.6 2,-0.2 -2,-0.2 0.836 107.4 59.1 -72.8 -33.7 14.0 -2.6 21.9 11 13 A K H X S+ 0 0 138 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.922 105.6 50.8 -55.6 -42.6 14.5 -6.3 22.7 12 14 A E H X S+ 0 0 75 -4,-1.9 4,-0.7 2,-0.2 -2,-0.2 0.919 112.3 45.7 -63.8 -43.0 12.7 -7.0 19.5 13 15 A A H >X S+ 0 0 0 -4,-1.8 3,-1.4 1,-0.2 4,-0.7 0.941 110.3 53.6 -60.1 -51.3 15.0 -4.5 17.6 14 16 A F H >X S+ 0 0 13 -4,-3.6 4,-2.2 1,-0.3 3,-1.2 0.895 101.4 60.5 -53.3 -40.0 18.1 -6.0 19.2 15 17 A S H 3< S+ 0 0 55 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.769 92.8 65.6 -62.8 -23.0 17.0 -9.5 18.0 16 18 A L H << S+ 0 0 10 -3,-1.4 -1,-0.3 -4,-0.7 -2,-0.2 0.823 111.2 36.3 -66.1 -30.1 17.2 -8.3 14.4 17 19 A F H << S+ 0 0 7 -3,-1.2 2,-2.4 -4,-0.7 9,-0.2 0.844 101.6 73.8 -89.2 -45.3 20.9 -7.9 14.8 18 20 A D >< + 0 0 14 -4,-2.2 3,-1.3 1,-0.2 -1,-0.2 -0.460 60.9 172.7 -72.5 79.2 21.7 -10.8 17.1 19 21 A K T 3 S+ 0 0 95 -2,-2.4 -1,-0.2 1,-0.3 6,-0.1 0.805 74.5 45.6 -61.8 -33.4 21.3 -13.5 14.3 20 22 A D T 3 S- 0 0 100 4,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.455 102.7-129.0 -93.6 3.3 22.5 -16.4 16.5 21 23 A G < + 0 0 62 -3,-1.3 -2,-0.1 -6,-0.2 4,-0.1 0.651 68.3 130.2 61.9 20.0 20.4 -15.5 19.5 22 24 A D S S- 0 0 90 2,-0.3 -1,-0.1 1,-0.0 3,-0.1 0.288 80.7-108.1 -88.8 12.4 23.4 -15.7 21.9 23 25 A G S S+ 0 0 33 1,-0.2 40,-0.4 -5,-0.2 2,-0.4 0.521 89.6 94.0 75.0 11.4 22.6 -12.3 23.4 24 26 A T - 0 0 37 38,-0.1 2,-0.7 39,-0.1 -2,-0.3 -0.987 64.6-141.4-136.8 138.1 25.6 -10.5 21.7 25 27 A I B -A 61 0A 1 36,-2.1 36,-1.8 -2,-0.4 2,-0.2 -0.911 25.4-164.0 -97.3 120.5 25.9 -8.6 18.5 26 28 A T > - 0 0 31 -2,-0.7 4,-2.6 -9,-0.2 5,-0.2 -0.528 34.3-108.1 -96.8 165.0 29.1 -9.3 16.7 27 29 A T H > S+ 0 0 41 32,-0.3 4,-2.3 2,-0.2 5,-0.1 0.815 122.2 54.6 -54.5 -35.6 30.8 -7.3 13.9 28 30 A K H > S+ 0 0 158 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.907 109.0 47.4 -69.1 -41.0 29.8 -10.1 11.5 29 31 A E H > S+ 0 0 13 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.915 112.2 48.7 -66.0 -42.4 26.2 -9.8 12.6 30 32 A L H X S+ 0 0 7 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.912 110.8 52.0 -63.6 -40.7 26.3 -6.1 12.2 31 33 A G H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.895 107.4 51.4 -60.1 -43.8 27.8 -6.5 8.8 32 34 A T H X S+ 0 0 64 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.944 112.0 47.8 -59.0 -46.7 25.1 -8.9 7.7 33 35 A V H X S+ 0 0 1 -4,-2.2 4,-0.8 1,-0.2 -2,-0.2 0.931 111.7 49.4 -57.6 -46.3 22.5 -6.4 8.8 34 36 A M H ><>S+ 0 0 0 -4,-2.6 5,-2.5 1,-0.2 3,-0.8 0.905 110.8 48.2 -68.6 -41.0 24.1 -3.5 7.0 35 37 A R H ><5S+ 0 0 120 -4,-2.4 3,-1.5 1,-0.2 -1,-0.2 0.846 104.2 59.7 -66.0 -34.0 24.5 -5.4 3.8 36 38 A S H 3<5S+ 0 0 26 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.714 105.6 52.7 -64.4 -15.5 20.8 -6.5 4.0 37 39 A L T <<5S- 0 0 4 -4,-0.8 -1,-0.3 -3,-0.8 -2,-0.2 0.139 128.1 -99.2-102.5 9.9 20.2 -2.6 3.9 38 40 A G T < 5S+ 0 0 63 -3,-1.5 -3,-0.2 1,-0.3 2,-0.2 0.593 85.4 123.3 84.3 11.9 22.3 -2.1 0.8 39 41 A Q < - 0 0 46 -5,-2.5 -1,-0.3 -6,-0.2 -2,-0.1 -0.553 46.0-160.1-100.5 164.3 25.4 -0.9 2.6 40 42 A N + 0 0 128 -2,-0.2 -9,-0.1 -3,-0.1 -5,-0.0 -0.328 16.7 178.8-144.1 69.5 29.0 -2.3 2.6 41 43 A P - 0 0 12 0, 0.0 2,-0.1 0, 0.0 -6,-0.1 -0.270 28.8-117.2 -65.5 146.7 30.9 -1.2 5.6 42 44 A T > - 0 0 72 1,-0.1 4,-2.4 4,-0.0 5,-0.2 -0.368 28.8-102.7 -78.4 163.7 34.5 -2.4 5.9 43 45 A E H > S+ 0 0 135 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.884 124.7 51.2 -51.2 -42.2 35.7 -4.6 8.8 44 46 A A H > S+ 0 0 38 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.899 108.5 49.5 -67.4 -41.0 37.2 -1.5 10.3 45 47 A E H > S+ 0 0 56 2,-0.2 4,-2.8 1,-0.2 -2,-0.2 0.904 108.9 53.2 -66.0 -36.6 34.1 0.6 10.1 46 48 A L H X S+ 0 0 10 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.943 109.3 48.2 -62.5 -44.1 32.1 -2.2 11.7 47 49 A Q H X S+ 0 0 106 -4,-2.1 4,-3.0 1,-0.2 -1,-0.2 0.881 111.9 51.2 -57.4 -40.3 34.6 -2.3 14.6 48 50 A D H X S+ 0 0 75 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.923 107.4 51.5 -64.1 -46.4 34.2 1.5 14.9 49 51 A M H < S+ 0 0 7 -4,-2.8 4,-0.5 1,-0.2 -2,-0.2 0.898 115.1 43.3 -58.9 -41.0 30.4 1.3 14.9 50 52 A I H >X S+ 0 0 5 -4,-2.0 3,-1.2 1,-0.2 4,-0.9 0.914 108.6 58.8 -69.4 -45.0 30.6 -1.3 17.7 51 53 A N H 3< S+ 0 0 115 -4,-3.0 3,-0.4 1,-0.2 -2,-0.2 0.808 95.6 63.3 -54.0 -37.9 33.4 0.7 19.6 52 54 A E T 3< S+ 0 0 109 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.797 118.0 26.0 -61.0 -28.1 31.2 3.8 19.9 53 55 A V T <4 S+ 0 0 25 -3,-1.2 2,-0.8 -4,-0.5 -1,-0.2 0.431 89.2 118.3-113.1 -0.9 28.7 1.9 22.1 54 56 A D < + 0 0 27 -4,-0.9 3,-0.2 -3,-0.4 7,-0.1 -0.568 33.5 179.2 -87.4 111.6 30.7 -0.9 23.7 55 57 A A S S+ 0 0 86 -2,-0.8 -1,-0.2 1,-0.2 6,-0.1 0.878 79.1 35.9 -77.5 -45.6 30.7 -0.5 27.4 56 58 A D S S- 0 0 94 4,-0.2 -1,-0.2 0, 0.0 -2,-0.1 0.352 99.8-125.7 -93.7 3.2 32.8 -3.5 28.6 57 59 A G + 0 0 64 -3,-0.2 -2,-0.1 1,-0.1 -6,-0.1 0.823 67.6 134.2 63.8 34.0 35.2 -3.4 25.7 58 60 A N S S- 0 0 83 2,-0.3 -1,-0.1 0, 0.0 3,-0.1 0.417 76.7-105.2-101.5 2.1 34.5 -7.0 24.8 59 61 A G S S+ 0 0 40 1,-0.2 2,-0.3 -12,-0.1 -32,-0.3 0.208 89.9 72.5 99.5 -12.8 34.1 -6.6 21.1 60 62 A T S S- 0 0 23 -34,-0.1 2,-0.6 -10,-0.1 -2,-0.3 -0.905 76.4-113.6-139.4 158.4 30.3 -6.9 20.9 61 63 A I B -A 25 0A 9 -36,-1.8 -36,-2.1 -2,-0.3 2,-0.2 -0.835 30.5-171.7 -95.2 117.1 27.0 -5.1 21.8 62 64 A D > - 0 0 47 -2,-0.6 4,-1.9 -38,-0.2 -38,-0.1 -0.462 44.2 -86.7 -94.9-173.5 24.9 -6.7 24.5 63 65 A F H > S+ 0 0 40 -40,-0.4 4,-1.8 1,-0.2 5,-0.2 0.908 123.3 51.5 -72.3 -43.4 21.4 -5.5 25.3 64 66 A P H > S+ 0 0 79 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.931 111.7 48.8 -55.0 -41.3 22.2 -2.7 27.8 65 67 A E H > S+ 0 0 9 1,-0.2 4,-1.6 2,-0.2 -2,-0.2 0.862 107.0 56.7 -68.2 -36.2 24.7 -1.2 25.4 66 68 A F H X S+ 0 0 5 -4,-1.9 4,-0.8 1,-0.2 -1,-0.2 0.892 108.6 47.2 -54.2 -45.1 22.2 -1.4 22.5 67 69 A L H >< S+ 0 0 40 -4,-1.8 3,-0.7 1,-0.2 -2,-0.2 0.893 106.6 55.4 -68.2 -45.8 19.7 0.7 24.5 68 70 A T H >< S+ 0 0 107 -4,-2.0 3,-1.9 1,-0.2 -1,-0.2 0.909 103.5 56.9 -52.7 -44.6 22.1 3.4 25.6 69 71 A M H 3< S+ 0 0 50 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.798 92.0 69.2 -57.7 -33.3 22.9 4.0 22.0 70 72 A M T << 0 0 33 -4,-0.8 -1,-0.3 -3,-0.7 -2,-0.2 0.414 360.0 360.0 -75.3 3.8 19.3 4.7 21.2 71 73 A A < 0 0 129 -3,-1.9 -1,-0.3 -4,-0.1 -2,-0.1 0.828 360.0 360.0 -32.6 360.0 19.7 7.9 23.2 72 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 73 81 A S > 0 0 89 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 162.4 22.4 15.2 10.4 74 82 A E H > + 0 0 125 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.914 360.0 49.9 -55.1 -51.1 20.1 16.0 7.5 75 83 A E H > S+ 0 0 95 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.892 109.1 54.0 -64.0 -34.9 22.1 14.1 4.9 76 84 A E H > S+ 0 0 30 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.901 110.4 45.9 -61.4 -40.2 22.3 11.0 7.2 77 85 A I H X S+ 0 0 22 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.923 112.3 50.8 -72.8 -43.2 18.5 11.0 7.5 78 86 A R H X S+ 0 0 99 -4,-2.7 4,-1.9 2,-0.2 -2,-0.2 0.928 109.6 50.5 -55.3 -47.1 17.9 11.5 3.8 79 87 A E H X S+ 0 0 43 -4,-2.6 4,-0.9 1,-0.2 -2,-0.2 0.919 111.9 47.6 -62.5 -37.9 20.3 8.7 2.9 80 88 A A H >X S+ 0 0 0 -4,-1.9 4,-1.1 1,-0.2 3,-0.7 0.912 107.7 55.1 -70.7 -37.0 18.4 6.4 5.4 81 89 A F H >X S+ 0 0 13 -4,-2.6 4,-3.1 1,-0.2 3,-0.6 0.896 102.6 57.9 -61.5 -38.1 15.0 7.4 4.0 82 90 A R H 3< S+ 0 0 136 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.773 96.7 62.9 -66.8 -26.3 16.2 6.4 0.5 83 91 A V H << S+ 0 0 10 -4,-0.9 -1,-0.3 -3,-0.7 -2,-0.2 0.885 114.4 32.3 -60.8 -45.1 16.9 2.9 1.8 84 92 A F H << S+ 0 0 0 -4,-1.1 2,-2.5 -3,-0.6 -2,-0.2 0.870 108.5 67.9 -79.5 -43.0 13.2 2.4 2.6 85 93 A D >< + 0 0 11 -4,-3.1 3,-1.6 1,-0.2 -1,-0.2 -0.412 64.6 168.5 -80.3 75.5 11.8 4.5 -0.3 86 94 A K T 3 S+ 0 0 128 -2,-2.5 -1,-0.2 1,-0.3 6,-0.1 0.794 72.5 45.3 -67.0 -28.2 13.0 2.1 -3.0 87 95 A D T 3 S- 0 0 105 -3,-0.2 -1,-0.3 4,-0.2 -2,-0.1 0.373 103.9-129.3 -94.3 4.4 11.0 3.6 -5.9 88 96 A G < + 0 0 58 -3,-1.6 -2,-0.1 -6,-0.2 -3,-0.1 0.621 64.6 135.5 62.6 20.3 12.1 7.1 -4.8 89 97 A N S S- 0 0 83 2,-0.3 -1,-0.1 1,-0.1 3,-0.1 0.511 76.4-107.1 -80.9 0.3 8.5 8.4 -4.9 90 98 A G S S+ 0 0 28 1,-0.2 40,-0.6 -5,-0.1 2,-0.4 0.412 91.0 85.2 91.5 3.8 8.8 10.3 -1.7 91 99 A Y E -B 129 0B 87 38,-0.2 2,-0.7 39,-0.1 -2,-0.3 -0.998 69.0-136.3-140.3 133.0 6.7 8.0 0.4 92 100 A I E -B 128 0B 0 36,-3.0 36,-2.5 -2,-0.4 2,-0.2 -0.825 31.0-158.2 -90.4 113.2 7.5 4.8 2.3 93 101 A S > - 0 0 25 -2,-0.7 4,-2.7 -9,-0.2 5,-0.2 -0.468 30.7-109.2 -80.8 161.7 4.7 2.4 1.6 94 102 A A H > S+ 0 0 23 32,-0.3 4,-2.8 2,-0.2 5,-0.2 0.910 122.4 53.5 -55.0 -41.4 3.7 -0.6 3.7 95 103 A A H > S+ 0 0 33 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.935 108.5 48.4 -62.7 -45.2 5.0 -2.8 0.8 96 104 A E H > S+ 0 0 12 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.924 112.7 47.5 -60.5 -44.1 8.4 -1.0 0.9 97 105 A L H X S+ 0 0 0 -4,-2.7 4,-2.8 2,-0.2 5,-0.2 0.936 111.0 52.8 -61.8 -44.5 8.6 -1.4 4.7 98 106 A R H X S+ 0 0 82 -4,-2.8 4,-2.9 1,-0.2 5,-0.2 0.929 108.2 51.1 -54.5 -49.6 7.7 -5.1 4.3 99 107 A H H X S+ 0 0 98 -4,-2.8 4,-2.0 2,-0.2 -1,-0.2 0.891 110.9 46.8 -56.3 -45.4 10.4 -5.6 1.8 100 108 A V H X S+ 0 0 5 -4,-2.0 4,-1.5 2,-0.2 -2,-0.2 0.970 113.8 47.4 -65.5 -42.8 13.1 -4.1 4.0 101 109 A M H X>S+ 0 0 0 -4,-2.8 5,-2.4 1,-0.2 4,-0.5 0.915 110.5 53.1 -67.2 -38.7 12.0 -6.0 7.1 102 110 A T H ><5S+ 0 0 42 -4,-2.9 3,-1.4 -5,-0.2 -1,-0.2 0.925 107.0 50.4 -60.6 -44.3 11.9 -9.3 5.1 103 111 A N H 3<5S+ 0 0 108 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.809 105.8 57.6 -66.8 -24.3 15.4 -8.8 3.9 104 112 A L H 3<5S- 0 0 2 -4,-1.5 -1,-0.3 -3,-0.2 -2,-0.2 0.565 127.4-103.9 -78.6 -8.3 16.4 -8.2 7.5 105 113 A G T <<5S+ 0 0 65 -3,-1.4 2,-0.5 -4,-0.5 -3,-0.2 0.738 85.9 121.3 91.3 27.5 14.9 -11.6 8.2 106 114 A E < - 0 0 17 -5,-2.4 2,-1.3 -8,-0.1 -1,-0.2 -0.864 45.4-161.8-125.2 95.6 11.6 -10.6 9.8 107 115 A K - 0 0 176 -2,-0.5 2,-0.2 -5,-0.1 -8,-0.1 -0.583 19.4-170.8 -81.0 92.1 8.6 -11.9 7.9 108 116 A L - 0 0 20 -2,-1.3 2,-0.1 -10,-0.2 -6,-0.1 -0.546 22.9-117.7 -88.4 146.8 5.7 -9.6 9.2 109 117 A T > - 0 0 74 -2,-0.2 4,-2.0 1,-0.1 3,-0.3 -0.398 35.2-107.0 -66.8 159.3 2.0 -10.1 8.5 110 118 A D H > S+ 0 0 101 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.845 121.6 55.2 -57.6 -35.9 0.4 -7.2 6.6 111 119 A E H > S+ 0 0 111 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.908 107.3 48.0 -64.8 -41.1 -1.3 -6.1 9.8 112 120 A E H > S+ 0 0 70 -3,-0.3 4,-1.8 2,-0.2 -2,-0.2 0.879 112.7 50.1 -65.6 -35.7 2.0 -5.8 11.7 113 121 A V H X S+ 0 0 1 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.935 110.1 50.3 -69.9 -42.2 3.4 -3.9 8.7 114 122 A D H X S+ 0 0 68 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.906 108.3 51.9 -61.6 -42.7 0.4 -1.5 8.7 115 123 A E H X S+ 0 0 65 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.887 107.6 52.5 -60.8 -38.4 0.8 -0.9 12.5 116 124 A M H X S+ 0 0 2 -4,-1.8 4,-1.1 1,-0.2 -1,-0.2 0.917 113.0 44.5 -65.5 -42.2 4.5 0.0 12.1 117 125 A I H >X S+ 0 0 5 -4,-2.0 4,-2.2 1,-0.2 3,-0.9 0.952 109.9 55.8 -62.9 -46.0 3.6 2.5 9.3 118 126 A R H 3< S+ 0 0 120 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.866 102.5 56.3 -58.5 -37.4 0.7 3.9 11.4 119 127 A E H 3< S+ 0 0 57 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.838 116.1 35.8 -64.1 -30.6 3.0 4.6 14.3 120 128 A A H << S+ 0 0 5 -4,-1.1 -2,-0.2 -3,-0.9 2,-0.2 0.666 96.0 98.4 -95.7 -20.7 5.2 6.8 12.0 121 129 A D < + 0 0 28 -4,-2.2 7,-0.1 1,-0.2 -4,-0.0 -0.486 39.5 169.2 -75.3 128.8 2.4 8.3 9.9 122 130 A I S S+ 0 0 102 5,-0.3 -1,-0.2 -2,-0.2 6,-0.1 0.754 75.0 46.0-104.9 -45.6 1.3 11.8 11.1 123 131 A D S S- 0 0 93 4,-0.2 -2,-0.1 1,-0.1 5,-0.1 0.695 103.3-125.5 -76.0 -16.6 -1.0 13.1 8.3 124 132 A G S S+ 0 0 61 3,-0.2 -1,-0.1 -6,-0.1 -3,-0.1 0.624 70.6 130.1 84.5 13.8 -2.8 9.8 8.2 125 133 A D S S- 0 0 71 2,-0.3 3,-0.1 1,-0.1 -1,-0.0 0.513 79.9-112.6 -75.6 1.0 -2.4 9.1 4.4 126 134 A G S S+ 0 0 41 1,-0.3 -32,-0.3 -9,-0.1 2,-0.3 0.630 88.2 82.5 79.8 11.0 -1.1 5.6 5.3 127 135 A Q S S- 0 0 57 -34,-0.1 2,-0.6 -10,-0.1 -1,-0.3 -0.898 77.5-115.9-135.8 166.9 2.5 6.2 4.2 128 136 A V E -B 92 0B 0 -36,-2.5 -36,-3.0 -2,-0.3 -7,-0.1 -0.928 29.5-167.4-110.6 114.5 5.6 7.8 5.7 129 137 A N E > -B 91 0B 22 -2,-0.6 4,-2.3 -38,-0.2 -38,-0.2 -0.301 39.3 -93.3 -88.1-179.0 6.9 10.8 3.9 130 138 A Y H > S+ 0 0 25 -40,-0.6 4,-2.8 1,-0.2 5,-0.2 0.932 123.5 50.0 -66.4 -43.8 10.3 12.5 4.5 131 139 A E H > S+ 0 0 111 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.876 112.0 47.9 -63.1 -41.5 9.1 15.0 7.1 132 140 A E H > S+ 0 0 7 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.904 111.2 52.8 -61.9 -38.2 7.4 12.2 9.1 133 141 A F H X S+ 0 0 0 -4,-2.3 4,-1.4 2,-0.2 -2,-0.2 0.919 107.7 50.0 -63.9 -45.8 10.5 10.2 8.8 134 142 A V H X S+ 0 0 34 -4,-2.8 4,-1.3 2,-0.2 3,-0.5 0.932 110.8 50.0 -55.3 -44.7 12.6 13.0 10.2 135 143 A Q H < S+ 0 0 125 -4,-1.9 3,-0.4 1,-0.3 -2,-0.2 0.902 103.0 59.3 -66.0 -38.6 10.2 13.4 13.1 136 144 A M H < S+ 0 0 8 -4,-2.6 -1,-0.3 1,-0.2 -2,-0.2 0.883 115.6 36.1 -55.4 -38.7 10.4 9.8 13.9 137 145 A M H < 0 0 31 -4,-1.4 -1,-0.2 -3,-0.5 -2,-0.2 0.602 360.0 360.0 -90.6 -14.1 14.2 10.3 14.3 138 146 A T < 0 0 119 -4,-1.3 -3,-0.2 -3,-0.4 -2,-0.1 0.702 360.0 360.0-120.9 360.0 14.3 13.6 15.9 139 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 140 875 B K > 0 0 137 0, 0.0 2,-2.7 0, 0.0 3,-1.3 0.000 360.0 360.0 360.0-127.1 5.4 -1.5 18.9 141 876 B K T 3> + 0 0 31 1,-0.3 4,-2.7 2,-0.2 5,-0.2 0.236 360.0 97.9 -67.5 23.3 8.0 -1.7 16.1 142 877 B K H 3> S+ 0 0 64 -2,-2.7 4,-2.9 2,-0.2 -1,-0.3 0.832 85.9 56.1 -65.4 -32.7 8.7 2.1 15.8 143 878 B A H <> S+ 0 0 6 -3,-1.3 4,-2.6 2,-0.2 -1,-0.2 0.897 109.2 45.6 -56.3 -44.4 11.7 1.1 18.0 144 879 B T H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.903 113.4 47.5 -67.4 -43.9 12.6 -1.3 15.2 145 880 B F H X S+ 0 0 0 -4,-2.7 4,-1.7 1,-0.2 -2,-0.2 0.923 116.8 45.2 -65.1 -42.2 12.0 1.3 12.5 146 881 B R H X S+ 0 0 77 -4,-2.9 4,-3.0 2,-0.2 -2,-0.2 0.880 109.2 55.2 -63.2 -41.1 14.1 3.8 14.5 147 882 B A H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 5,-0.2 0.897 108.9 47.4 -63.6 -42.8 16.8 1.2 15.3 148 883 B I H X S+ 0 0 1 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.937 113.8 47.3 -63.1 -44.6 17.3 0.5 11.6 149 884 B T H X S+ 0 0 2 -4,-1.7 4,-3.1 1,-0.2 -2,-0.2 0.922 112.2 48.9 -67.1 -43.9 17.4 4.2 10.7 150 885 B S H X S+ 0 0 32 -4,-3.0 4,-2.4 2,-0.2 -1,-0.2 0.870 109.9 51.8 -58.5 -43.3 19.8 5.0 13.5 151 886 B T H X S+ 0 0 6 -4,-2.3 4,-1.8 2,-0.2 -1,-0.2 0.902 110.6 49.2 -66.3 -38.2 22.2 2.2 12.5 152 887 B L H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 3,-0.5 0.982 109.2 51.4 -58.4 -54.3 22.1 3.5 9.0 153 888 B A H X S+ 0 0 15 -4,-3.1 4,-1.9 1,-0.3 -2,-0.2 0.870 107.6 54.8 -50.9 -42.9 22.8 7.0 10.2 154 889 B S H X S+ 0 0 12 -4,-2.4 4,-1.0 1,-0.2 -1,-0.3 0.909 108.2 48.2 -54.8 -47.6 25.8 5.6 12.2 155 890 B S H < S+ 0 0 17 -4,-1.8 3,-0.3 -3,-0.5 -2,-0.2 0.875 110.7 49.9 -64.8 -39.5 27.3 4.0 9.1 156 891 B F H >< S+ 0 0 25 -4,-2.2 3,-1.4 1,-0.2 -1,-0.2 0.849 99.8 68.4 -68.0 -33.8 27.0 7.2 7.0 157 892 B K H 3< S+ 0 0 109 -4,-1.9 -1,-0.2 1,-0.3 2,-0.2 0.878 97.5 50.0 -52.0 -46.7 28.6 9.2 9.7 158 893 B R T 3< 0 0 51 -4,-1.0 -1,-0.3 -3,-0.3 -2,-0.1 -0.090 360.0 360.0 -94.6 35.7 32.1 7.6 9.2 159 894 B R < 0 0 260 -3,-1.4 -3,-0.0 -2,-0.2 -4,-0.0 -0.635 360.0 360.0 -86.8 360.0 32.3 8.0 5.4