==== 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/TRANSFERASE 03-FEB-05 1YR5 . COMPND 2 MOLECULE: CALMODULIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR P.KURSULA,J.VAHOKOSKI,M.WILMANNS . 165 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9219.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 108 65.5 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 3.0 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 . 10 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 10 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 81 49.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.2 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 1 2 3 0 0 1 1 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 0 249 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 102.1 24.2 -8.6 38.6 2 4 A L - 0 0 100 1,-0.0 2,-0.2 4,-0.0 3,-0.0 -0.482 360.0-137.6 -69.9 137.2 23.7 -6.3 35.7 3 5 A T > - 0 0 69 -2,-0.2 4,-1.7 1,-0.1 5,-0.1 -0.587 19.6-118.1 -86.2 158.7 26.3 -6.6 32.9 4 6 A E H > S+ 0 0 168 -2,-0.2 4,-2.8 2,-0.2 5,-0.2 0.834 116.4 58.2 -66.1 -26.7 27.8 -3.5 31.3 5 7 A E H > S+ 0 0 66 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.956 105.7 48.9 -67.8 -40.0 26.3 -4.7 28.0 6 8 A Q H > S+ 0 0 68 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.935 112.2 48.3 -58.3 -46.6 22.9 -4.7 29.6 7 9 A I H X S+ 0 0 68 -4,-1.7 4,-2.4 2,-0.2 -1,-0.2 0.902 109.1 52.9 -61.3 -45.3 23.5 -1.2 30.9 8 10 A A H X S+ 0 0 22 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.895 108.4 51.4 -58.6 -41.7 24.7 -0.0 27.5 9 11 A E H X S+ 0 0 53 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.932 110.1 48.0 -62.8 -41.5 21.5 -1.4 25.9 10 12 A F H X S+ 0 0 52 -4,-2.4 4,-2.9 1,-0.2 -2,-0.2 0.912 112.0 50.9 -63.3 -43.1 19.3 0.5 28.4 11 13 A K H X S+ 0 0 134 -4,-2.4 4,-2.9 2,-0.2 -1,-0.2 0.922 109.5 49.2 -59.5 -46.1 21.3 3.6 27.7 12 14 A E H X S+ 0 0 46 -4,-2.5 4,-1.7 2,-0.2 -2,-0.2 0.921 113.0 47.3 -61.7 -44.2 20.9 3.3 24.0 13 15 A A H X S+ 0 0 9 -4,-2.3 4,-1.1 1,-0.2 3,-0.3 0.937 113.7 48.5 -62.3 -45.2 17.2 2.8 24.4 14 16 A F H >X S+ 0 0 12 -4,-2.9 4,-2.8 1,-0.2 3,-0.6 0.923 110.3 50.7 -61.1 -45.8 17.0 5.8 26.7 15 17 A S H 3< S+ 0 0 64 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.762 99.0 65.4 -65.4 -29.6 19.0 8.0 24.4 16 18 A L H 3< S+ 0 0 21 -4,-1.7 -1,-0.2 -3,-0.3 3,-0.2 0.887 114.2 32.5 -56.9 -41.7 16.8 7.2 21.4 17 19 A F H << S+ 0 0 1 -4,-1.1 2,-2.2 -3,-0.6 -2,-0.2 0.904 112.2 63.8 -76.8 -49.2 14.0 9.0 23.3 18 20 A D >< + 0 0 10 -4,-2.8 3,-1.7 1,-0.2 -1,-0.2 -0.420 64.2 165.8 -78.3 68.9 16.2 11.6 25.0 19 21 A K T 3 S+ 0 0 96 -2,-2.2 -1,-0.2 1,-0.3 -4,-0.1 0.739 72.6 48.8 -63.8 -25.3 17.3 13.3 21.8 20 22 A D T 3 S- 0 0 102 4,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.435 103.2-131.1 -96.9 1.5 18.7 16.4 23.5 21 23 A G < + 0 0 60 -3,-1.7 -2,-0.1 -6,-0.2 4,-0.1 0.673 63.7 133.8 63.8 24.3 20.6 14.3 26.0 22 24 A D S S- 0 0 90 2,-0.3 -1,-0.1 1,-0.1 3,-0.1 0.443 76.9-106.8 -85.5 -0.7 19.5 16.2 29.1 23 25 A G S S+ 0 0 33 1,-0.2 40,-0.4 -5,-0.1 2,-0.4 0.417 90.2 86.6 91.9 -0.8 18.6 13.1 31.1 24 26 A T - 0 0 32 38,-0.1 2,-0.6 39,-0.0 -2,-0.3 -0.988 65.9-139.2-133.9 145.6 14.8 13.3 30.9 25 27 A I B -A 61 0A 1 36,-3.1 36,-2.5 -2,-0.4 2,-0.2 -0.910 26.4-163.9 -99.6 122.1 12.3 12.2 28.4 26 28 A T > - 0 0 38 -2,-0.6 4,-2.8 -9,-0.2 5,-0.3 -0.515 36.2-103.0 -96.1 168.1 9.5 14.7 27.7 27 29 A T H > S+ 0 0 20 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.902 123.5 54.6 -54.2 -46.0 6.1 14.4 26.1 28 30 A K H > S+ 0 0 149 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.870 111.0 44.0 -51.8 -48.3 7.6 16.0 22.9 29 31 A E H > S+ 0 0 10 2,-0.2 4,-1.8 1,-0.1 -2,-0.2 0.908 114.0 48.2 -71.0 -39.6 10.4 13.4 22.8 30 32 A L H X S+ 0 0 0 -4,-2.8 4,-2.1 1,-0.2 5,-0.2 0.953 114.1 49.8 -58.4 -48.4 8.1 10.4 23.5 31 33 A G H X S+ 0 0 0 -4,-2.9 4,-2.1 -5,-0.3 5,-0.2 0.878 105.2 56.1 -55.7 -45.6 5.8 11.8 20.8 32 34 A T H X S+ 0 0 55 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.914 108.8 46.7 -58.2 -43.9 8.7 12.2 18.3 33 35 A V H X S+ 0 0 2 -4,-1.8 4,-1.1 1,-0.2 -1,-0.2 0.937 113.5 47.5 -65.4 -43.7 9.6 8.5 18.6 34 36 A M H <>S+ 0 0 0 -4,-2.1 5,-2.8 1,-0.2 -1,-0.2 0.795 111.2 51.7 -71.6 -25.1 6.0 7.3 18.3 35 37 A R H ><5S+ 0 0 116 -4,-2.1 3,-1.7 -5,-0.2 -1,-0.2 0.843 103.2 58.0 -78.4 -33.4 5.4 9.6 15.3 36 38 A S H 3<5S+ 0 0 44 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.802 107.3 50.3 -63.4 -25.9 8.5 8.2 13.6 37 39 A L T 3<5S- 0 0 24 -4,-1.1 -1,-0.3 -5,-0.1 -2,-0.2 0.122 127.2 -99.4 -96.1 17.9 6.8 4.8 13.9 38 40 A G T < 5S+ 0 0 58 -3,-1.7 -3,-0.2 1,-0.3 2,-0.1 0.384 81.3 129.4 87.7 -3.3 3.5 6.0 12.4 39 41 A Q < - 0 0 41 -5,-2.8 -1,-0.3 -6,-0.2 -2,-0.1 -0.464 43.7-157.6 -89.2 164.5 1.6 6.6 15.6 40 42 A N + 0 0 132 -2,-0.1 -5,-0.1 125,-0.0 -1,-0.1 -0.327 19.1 173.5-137.3 49.0 -0.3 9.8 16.5 41 43 A P - 0 0 15 0, 0.0 2,-0.1 0, 0.0 124,-0.0 -0.256 31.0-120.5 -64.5 152.3 -0.7 10.0 20.3 42 44 A T > - 0 0 68 1,-0.1 4,-2.7 4,-0.0 5,-0.2 -0.379 25.7-108.5 -80.3 166.3 -2.1 13.2 21.7 43 45 A E H > S+ 0 0 111 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.902 122.6 49.5 -63.6 -40.0 -0.1 15.3 24.2 44 46 A A H > S+ 0 0 63 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.921 109.3 51.4 -62.1 -45.3 -2.5 14.2 27.0 45 47 A E H > S+ 0 0 91 2,-0.2 4,-1.5 1,-0.2 -2,-0.2 0.936 110.8 48.7 -58.3 -46.1 -2.1 10.5 26.0 46 48 A L H X S+ 0 0 3 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.919 110.8 51.4 -58.5 -42.4 1.8 11.0 26.1 47 49 A Q H X S+ 0 0 56 -4,-2.5 4,-3.0 1,-0.2 -2,-0.2 0.912 106.4 53.6 -62.1 -40.3 1.4 12.6 29.5 48 50 A D H X S+ 0 0 96 -4,-2.8 4,-1.1 2,-0.2 -1,-0.2 0.861 106.6 53.1 -59.3 -36.8 -0.6 9.6 30.7 49 51 A M H < S+ 0 0 15 -4,-1.5 4,-0.5 -5,-0.2 3,-0.4 0.934 112.3 44.7 -67.9 -42.4 2.2 7.3 29.6 50 52 A I H >X S+ 0 0 0 -4,-2.2 3,-2.1 1,-0.2 4,-0.8 0.946 106.1 60.2 -63.6 -45.8 4.7 9.3 31.6 51 53 A N H 3< S+ 0 0 82 -4,-3.0 3,-0.4 1,-0.3 -1,-0.2 0.784 94.1 65.7 -50.5 -37.6 2.4 9.5 34.6 52 54 A E T 3< S+ 0 0 103 -4,-1.1 -1,-0.3 -3,-0.4 -2,-0.2 0.776 118.4 21.9 -62.7 -26.1 2.3 5.7 35.0 53 55 A V T <4 S+ 0 0 10 -3,-2.1 2,-2.3 -4,-0.5 -1,-0.2 0.189 89.7 117.8-123.8 5.8 6.1 5.5 35.8 54 56 A D >< + 0 0 20 -4,-0.8 3,-1.8 -3,-0.4 5,-0.2 -0.369 31.7 162.7 -82.5 68.3 6.6 9.0 37.0 55 57 A A T 3 + 0 0 95 -2,-2.3 -1,-0.2 1,-0.3 6,-0.1 0.752 69.6 48.6 -63.6 -34.4 7.6 8.1 40.5 56 58 A D T 3 S- 0 0 90 -3,-0.2 -1,-0.3 1,-0.0 -2,-0.1 0.359 103.7-128.3 -89.3 7.0 9.2 11.4 41.5 57 59 A G < + 0 0 58 -3,-1.8 -2,-0.1 1,-0.1 -3,-0.1 0.512 69.0 128.4 68.0 6.9 6.2 13.4 40.3 58 60 A N S S- 0 0 88 2,-0.2 -1,-0.1 1,-0.1 3,-0.1 0.513 75.0-116.6 -78.9 -1.4 8.2 15.8 38.1 59 61 A G S S+ 0 0 22 1,-0.3 2,-0.3 -5,-0.2 -32,-0.2 0.374 85.7 76.9 87.2 -2.6 6.1 15.2 34.9 60 62 A T S S- 0 0 31 -34,-0.1 2,-0.5 -10,-0.1 -1,-0.3 -0.841 81.5-105.4-133.8 168.2 9.0 13.7 32.8 61 63 A I B -A 25 0A 0 -36,-2.5 -36,-3.1 -2,-0.3 2,-0.1 -0.872 31.6-171.5-103.3 123.4 10.7 10.4 32.6 62 64 A D > - 0 0 40 -2,-0.5 4,-2.7 -38,-0.2 5,-0.2 -0.367 43.3 -83.3-102.1-177.8 14.3 9.9 34.0 63 65 A F H > S+ 0 0 59 -40,-0.4 4,-2.3 1,-0.2 3,-0.2 0.935 125.8 42.6 -55.6 -60.2 16.6 6.9 33.7 64 66 A P H > S+ 0 0 72 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.837 114.6 52.6 -55.6 -37.2 15.3 4.7 36.5 65 67 A E H > S+ 0 0 9 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.888 107.5 52.8 -63.2 -36.6 11.6 5.5 35.5 66 68 A F H X S+ 0 0 0 -4,-2.7 4,-2.3 2,-0.2 5,-0.2 0.897 105.2 54.1 -65.4 -42.9 12.4 4.5 32.0 67 69 A L H X S+ 0 0 55 -4,-2.3 4,-2.4 -5,-0.2 -1,-0.2 0.933 108.5 49.4 -53.5 -42.7 13.8 1.2 33.3 68 70 A T H X S+ 0 0 53 -4,-1.7 4,-2.7 2,-0.2 5,-0.3 0.936 108.0 54.6 -61.1 -44.2 10.4 0.7 35.0 69 71 A M H X S+ 0 0 3 -4,-2.5 4,-3.0 1,-0.2 5,-0.2 0.913 111.0 44.2 -54.9 -46.6 8.6 1.5 31.8 70 72 A M H X S+ 0 0 13 -4,-2.3 4,-2.7 2,-0.2 -1,-0.2 0.889 109.9 56.4 -70.1 -39.3 10.5 -1.2 29.9 71 73 A A H < S+ 0 0 61 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.927 119.5 32.0 -55.3 -44.2 10.0 -3.7 32.8 72 74 A R H < S+ 0 0 127 -4,-2.7 3,-0.4 1,-0.1 -2,-0.2 0.813 128.9 35.4 -80.7 -36.5 6.3 -3.2 32.5 73 75 A K H < S+ 0 0 37 -4,-3.0 -3,-0.2 -5,-0.3 90,-0.2 0.482 113.4 54.7-109.1 -8.1 5.9 -2.5 28.8 74 76 A M S < S+ 0 0 56 -4,-2.7 2,-1.3 -5,-0.2 -1,-0.2 -0.464 77.5 159.3-105.9 50.4 8.6 -4.8 27.4 75 77 A K - 0 0 137 -3,-0.4 2,-0.2 2,-0.1 -3,-0.1 -0.646 62.0 -65.9 -81.5 95.5 6.8 -7.5 29.4 76 78 A D S S+ 0 0 128 -2,-1.3 2,-0.3 -5,-0.1 -3,-0.0 -0.403 95.1 22.2 57.6-121.7 8.1 -10.6 27.6 77 79 A T - 0 0 93 -2,-0.2 2,-0.1 1,-0.1 -2,-0.1 -0.629 56.3-118.2-120.9 132.9 7.2 -11.3 24.1 78 80 A D - 0 0 19 -2,-0.3 -1,-0.1 1,-0.1 78,-0.0 -0.309 33.8-156.4 -31.7 110.2 6.1 -10.0 20.7 79 81 A S - 0 0 69 -2,-0.1 -1,-0.1 1,-0.0 -2,-0.0 0.989 38.6 -88.1 -67.7 -84.0 2.7 -11.8 20.0 80 82 A E S > S+ 0 0 103 3,-0.0 4,-3.0 0, 0.0 5,-0.2 0.182 118.6 49.6-159.9 -60.7 2.1 -12.0 16.3 81 83 A E H > S+ 0 0 132 1,-0.2 4,-1.6 2,-0.2 -3,-0.0 0.803 116.0 48.6 -64.1 -28.9 0.2 -8.9 15.0 82 84 A E H > S+ 0 0 38 2,-0.2 4,-2.4 3,-0.2 -1,-0.2 0.855 110.5 48.8 -79.5 -36.0 2.8 -6.8 16.9 83 85 A I H > S+ 0 0 18 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.937 115.3 46.6 -60.3 -45.3 5.7 -8.8 15.4 84 86 A R H X S+ 0 0 115 -4,-3.0 4,-1.8 2,-0.2 -2,-0.2 0.832 109.2 54.0 -66.0 -35.9 4.0 -8.2 12.0 85 87 A E H X S+ 0 0 64 -4,-1.6 4,-1.1 -5,-0.2 -1,-0.2 0.922 109.6 48.4 -62.4 -42.9 3.5 -4.5 12.9 86 88 A A H X S+ 0 0 0 -4,-2.4 4,-1.4 1,-0.2 3,-0.4 0.897 107.1 54.8 -64.6 -42.2 7.3 -4.3 13.5 87 89 A F H X S+ 0 0 2 -4,-2.2 4,-3.3 1,-0.2 3,-0.5 0.922 104.6 55.1 -55.0 -48.4 8.1 -6.0 10.2 88 90 A R H < S+ 0 0 155 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.795 101.0 59.1 -56.0 -34.7 6.0 -3.4 8.4 89 91 A V H < S+ 0 0 36 -4,-1.1 -1,-0.3 -3,-0.4 -2,-0.2 0.932 115.1 35.2 -60.7 -43.8 8.0 -0.6 10.0 90 92 A F H < S+ 0 0 0 -4,-1.4 2,-2.6 -3,-0.5 -2,-0.2 0.880 102.9 70.5 -82.4 -41.4 11.2 -2.1 8.4 91 93 A D >< + 0 0 9 -4,-3.3 3,-2.1 1,-0.2 -1,-0.2 -0.443 68.7 175.9 -73.6 73.4 9.8 -3.3 5.1 92 94 A K T 3 S+ 0 0 138 -2,-2.6 -1,-0.2 1,-0.3 6,-0.1 0.794 72.5 44.7 -54.2 -42.4 9.3 0.3 4.0 93 95 A D T 3 S- 0 0 105 4,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.363 105.6-125.6 -89.1 4.9 8.1 -0.4 0.4 94 96 A G < + 0 0 61 -3,-2.1 -2,-0.1 -6,-0.2 4,-0.1 0.689 69.7 129.9 67.2 21.8 5.7 -3.2 1.6 95 97 A N S S- 0 0 79 2,-0.3 -1,-0.1 1,-0.0 3,-0.1 0.508 79.1-107.6 -91.6 -2.1 7.1 -5.8 -0.7 96 98 A G S S+ 0 0 24 -5,-0.2 40,-0.5 1,-0.1 2,-0.4 0.426 92.0 87.9 95.0 1.6 7.6 -8.5 1.9 97 99 A Y E -B 135 0B 88 38,-0.2 2,-0.7 39,-0.1 -2,-0.3 -0.983 66.8-142.3-137.8 123.7 11.4 -8.3 2.0 98 100 A I E -B 134 0B 0 36,-2.9 36,-2.1 -2,-0.4 -7,-0.1 -0.753 22.9-157.2 -85.4 117.0 13.5 -6.0 4.1 99 101 A S > - 0 0 30 -2,-0.7 4,-2.2 34,-0.2 5,-0.2 -0.437 29.6-112.0 -85.0 162.6 16.6 -4.8 2.1 100 102 A A H > S+ 0 0 27 32,-0.4 4,-2.6 2,-0.2 5,-0.2 0.919 121.6 53.4 -55.4 -43.7 19.8 -3.6 3.7 101 103 A A H > S+ 0 0 71 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.922 107.9 49.4 -60.5 -48.3 18.9 -0.2 2.3 102 104 A E H > S+ 0 0 19 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.925 111.5 48.3 -51.8 -50.3 15.5 -0.3 4.0 103 105 A L H X S+ 0 0 0 -4,-2.2 4,-2.9 1,-0.2 5,-0.2 0.932 110.3 51.5 -59.4 -49.4 16.9 -1.3 7.4 104 106 A R H X S+ 0 0 106 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.879 113.1 45.9 -52.7 -44.1 19.6 1.5 7.3 105 107 A H H X S+ 0 0 78 -4,-1.9 4,-3.1 2,-0.2 -2,-0.2 0.953 112.8 47.3 -69.5 -52.2 17.0 4.1 6.5 106 108 A V H X S+ 0 0 9 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.925 113.8 49.5 -54.8 -46.8 14.5 3.0 9.1 107 109 A M H X>S+ 0 0 1 -4,-2.9 5,-2.5 2,-0.2 4,-1.8 0.878 111.7 47.4 -62.3 -40.9 17.3 2.8 11.7 108 110 A T H <5S+ 0 0 58 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.942 110.8 53.7 -64.5 -44.4 18.5 6.3 10.8 109 111 A N H <5S+ 0 0 88 -4,-3.1 -2,-0.2 1,-0.2 -1,-0.2 0.861 107.2 49.6 -57.8 -42.1 14.9 7.5 11.0 110 112 A L H <5S- 0 0 12 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.895 125.6-106.5 -60.1 -42.1 14.5 6.1 14.5 111 113 A G T <5S+ 0 0 49 -4,-1.8 2,-0.4 -5,-0.2 -3,-0.2 0.639 84.6 110.1 118.3 28.7 17.8 7.9 15.4 112 114 A E < - 0 0 46 -5,-2.5 2,-0.4 2,-0.0 -1,-0.2 -0.883 45.6-167.0-129.2 100.5 20.5 5.3 15.7 113 115 A K + 0 0 151 -2,-0.4 2,-0.3 -5,-0.1 -8,-0.0 -0.707 10.5 176.1 -89.7 140.8 23.0 5.4 12.9 114 116 A L - 0 0 13 -2,-0.4 5,-0.1 -10,-0.1 -6,-0.1 -0.939 38.9 -82.9-139.6 156.8 25.4 2.5 12.4 115 117 A T >> - 0 0 90 -2,-0.3 4,-2.0 1,-0.1 3,-1.3 -0.268 38.4-119.3 -61.7 147.1 28.1 1.7 9.9 116 118 A D H 3> S+ 0 0 78 1,-0.3 4,-2.9 2,-0.2 5,-0.2 0.808 118.2 63.0 -61.2 -27.5 26.8 0.0 6.7 117 119 A E H 3> S+ 0 0 122 2,-0.2 4,-1.8 1,-0.2 -1,-0.3 0.859 103.6 47.7 -55.1 -42.2 29.0 -2.9 7.8 118 120 A E H <> S+ 0 0 63 -3,-1.3 4,-2.1 2,-0.2 -2,-0.2 0.938 112.5 47.7 -67.1 -49.2 26.8 -3.2 10.9 119 121 A V H X S+ 0 0 2 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.940 112.4 48.8 -57.3 -49.8 23.6 -3.0 8.9 120 122 A D H X S+ 0 0 61 -4,-2.9 4,-3.3 1,-0.2 -1,-0.2 0.881 108.3 55.1 -58.9 -39.3 24.8 -5.6 6.4 121 123 A E H X S+ 0 0 88 -4,-1.8 4,-2.7 2,-0.2 -1,-0.2 0.897 107.7 50.0 -57.2 -43.7 25.8 -7.8 9.4 122 124 A M H X S+ 0 0 15 -4,-2.1 4,-1.4 2,-0.2 -2,-0.2 0.903 114.4 43.6 -62.8 -46.1 22.2 -7.5 10.7 123 125 A I H X S+ 0 0 4 -4,-2.3 4,-2.5 2,-0.2 3,-0.3 0.966 115.2 48.8 -62.0 -52.4 20.8 -8.6 7.3 124 126 A R H < S+ 0 0 139 -4,-3.3 -2,-0.2 1,-0.2 -3,-0.2 0.891 110.1 50.1 -60.9 -41.1 23.3 -11.3 6.8 125 127 A E H < S+ 0 0 123 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.861 118.6 39.1 -63.5 -34.2 22.8 -12.8 10.3 126 128 A A H < S+ 0 0 5 -4,-1.4 2,-1.6 -3,-0.3 -2,-0.2 0.723 90.7 96.0 -90.4 -23.9 19.0 -12.9 9.8 127 129 A D < + 0 0 25 -4,-2.5 3,-0.1 1,-0.2 7,-0.1 -0.504 42.4 162.0 -72.6 89.0 19.1 -13.9 6.1 128 130 A I S S+ 0 0 125 -2,-1.6 -1,-0.2 1,-0.2 6,-0.1 0.880 70.0 50.5 -76.5 -38.8 18.6 -17.7 6.4 129 131 A D S S- 0 0 88 4,-0.2 -1,-0.2 -3,-0.2 -2,-0.1 0.571 105.5-121.2 -85.5 -10.0 17.5 -18.4 2.9 130 132 A G S S+ 0 0 60 3,-0.2 -3,-0.1 -3,-0.1 -2,-0.1 0.335 75.4 118.9 98.2 -5.1 20.4 -16.6 1.1 131 133 A D S S- 0 0 72 2,-0.2 3,-0.1 1,-0.1 -1,-0.0 0.492 82.3-114.5 -75.2 -2.4 18.6 -13.9 -1.0 132 134 A G S S+ 0 0 41 1,-0.3 -32,-0.4 -9,-0.1 2,-0.3 0.505 87.3 85.3 81.5 5.0 20.3 -11.0 0.8 133 135 A Q S S- 0 0 58 -34,-0.1 2,-0.6 -10,-0.1 -1,-0.3 -0.835 76.9-116.1-130.3 171.9 17.0 -9.7 2.2 134 136 A V E -B 98 0B 0 -36,-2.1 -36,-2.9 -2,-0.3 -7,-0.1 -0.925 26.7-167.0-118.3 110.3 14.9 -10.5 5.3 135 137 A N E > -B 97 0B 29 -2,-0.6 4,-2.6 -38,-0.2 5,-0.2 -0.310 40.8 -93.3 -84.1 176.3 11.4 -11.9 4.9 136 138 A Y H > S+ 0 0 49 -40,-0.5 4,-2.7 1,-0.2 5,-0.2 0.915 124.4 52.0 -59.0 -48.7 8.8 -12.1 7.6 137 139 A E H > S+ 0 0 130 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.906 113.4 45.6 -55.6 -43.0 9.7 -15.7 8.7 138 140 A E H > S+ 0 0 6 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.855 110.4 52.9 -69.3 -39.7 13.4 -14.6 9.0 139 141 A F H X S+ 0 0 0 -4,-2.6 4,-0.6 2,-0.2 -2,-0.2 0.911 112.6 46.1 -55.9 -45.1 12.4 -11.4 10.9 140 142 A V H >< S+ 0 0 30 -4,-2.7 3,-0.9 -5,-0.2 4,-0.3 0.930 113.0 49.7 -62.8 -45.8 10.4 -13.6 13.3 141 143 A Q H >< S+ 0 0 80 -4,-2.2 3,-1.1 1,-0.2 4,-0.4 0.777 100.9 61.1 -70.1 -30.0 13.2 -16.1 13.6 142 144 A M H >< S+ 0 0 27 -4,-2.0 3,-0.6 1,-0.2 -1,-0.2 0.718 94.5 67.3 -69.2 -19.9 16.0 -13.6 14.4 143 145 A M T << S+ 0 0 16 -3,-0.9 -1,-0.2 -4,-0.6 -2,-0.2 0.675 93.9 56.6 -75.6 -18.6 14.0 -12.5 17.5 144 146 A T T < S+ 0 0 112 -3,-1.1 -1,-0.2 -4,-0.3 -2,-0.2 0.649 88.6 101.1 -81.2 -18.2 14.6 -15.9 19.2 145 147 A A < 0 0 41 -3,-0.6 -3,-0.0 -4,-0.4 7,-0.0 -0.233 360.0 360.0 -81.5 160.7 18.5 -15.7 19.0 146 148 A K 0 0 234 -2,-0.0 -1,-0.1 0, 0.0 -4,-0.0 0.868 360.0 360.0 -52.2 360.0 21.0 -14.8 21.7 147 !* 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 0.0 148 302 B R 0 0 130 0, 0.0 5,-0.1 0, 0.0 -139,-0.0 0.000 360.0 360.0 360.0 -43.5 24.7 -6.5 20.9 149 303 B K > - 0 0 75 3,-0.1 4,-2.2 4,-0.1 5,-0.2 0.967 360.0-177.9 63.1 57.1 22.0 -7.6 18.5 150 304 B K H > S+ 0 0 38 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.839 74.7 53.3 -55.0 -36.6 21.0 -4.0 17.7 151 305 B W H > S+ 0 0 7 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.966 107.5 47.2 -71.4 -49.3 18.2 -5.1 15.4 152 306 B K H > S+ 0 0 27 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.908 112.9 53.7 -53.1 -40.1 16.4 -7.4 17.9 153 307 B Q H X S+ 0 0 30 -4,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.909 108.6 47.3 -61.6 -42.1 16.8 -4.5 20.4 154 308 B S H X S+ 0 0 10 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.870 108.0 55.3 -71.1 -35.9 15.2 -2.0 18.1 155 309 B V H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 -1,-0.2 0.936 107.3 51.0 -60.6 -44.1 12.3 -4.4 17.4 156 310 B R H X S+ 0 0 99 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.900 110.1 49.6 -59.2 -39.6 11.7 -4.6 21.1 157 311 B L H X S+ 0 0 21 -4,-1.7 4,-1.9 2,-0.2 -1,-0.2 0.889 108.6 51.8 -66.7 -39.8 11.6 -0.8 21.3 158 312 B I H X S+ 0 0 1 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.952 110.0 49.5 -59.3 -47.5 9.2 -0.6 18.5 159 313 B S H X S+ 0 0 1 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.861 105.5 59.1 -57.7 -39.7 6.9 -3.1 20.3 160 314 B L H X S+ 0 0 0 -4,-2.3 4,-1.8 2,-0.2 -1,-0.2 0.929 106.0 46.7 -50.6 -52.0 7.3 -1.0 23.4 161 315 B C H X S+ 0 0 0 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.855 109.6 54.2 -66.2 -34.4 5.8 2.0 21.6 162 316 B Q H < S+ 0 0 24 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.925 111.2 46.0 -59.7 -44.3 3.0 -0.2 20.2 163 317 B R H < S+ 0 0 49 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.752 111.9 51.9 -72.2 -27.3 2.1 -1.2 23.8 164 318 B L H < S+ 0 0 12 -4,-1.8 2,-2.1 1,-0.2 -1,-0.2 0.908 98.3 66.9 -70.8 -47.0 2.3 2.3 25.0 165 319 B S < 0 0 33 -4,-2.4 -1,-0.2 1,-0.2 -119,-0.0 -0.553 360.0 360.0 -79.8 77.2 -0.1 3.6 22.3 166 320 B R 0 0 261 -2,-2.1 -1,-0.2 -3,-0.1 -2,-0.1 0.908 360.0 360.0 -84.9 360.0 -3.1 1.8 23.5