==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-DEC-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL BINDING PROTEIN/TRANSFERASE 11-JAN-11 2Y4V . COMPND 2 MOLECULE: CALMODULIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR I.DE DIEGO,F.LEHMANN,M.WILMANNS . 158 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8857.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 108 68.4 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 . 10 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 82 51.9 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 0 1 1 2 2 1 0 2 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 4 A Q 0 0 241 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 74.9 -6.6 7.8 40.5 2 5 A L - 0 0 102 4,-0.0 2,-0.2 3,-0.0 3,-0.0 -0.725 360.0-131.2 -76.8 137.3 -5.8 5.8 37.4 3 6 A T > - 0 0 74 -2,-0.4 4,-2.3 1,-0.1 5,-0.2 -0.521 15.9-120.7 -82.5 156.9 -8.3 6.2 34.5 4 7 A E H > S+ 0 0 167 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.861 115.4 59.7 -67.6 -30.5 -9.7 3.2 32.7 5 8 A E H > S+ 0 0 78 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.924 108.2 44.7 -60.2 -41.9 -8.2 4.5 29.5 6 9 A Q H > S+ 0 0 86 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.912 113.3 50.0 -64.7 -45.5 -4.7 4.3 31.1 7 10 A I H X S+ 0 0 62 -4,-2.3 4,-3.0 2,-0.2 -2,-0.2 0.922 109.8 51.3 -60.5 -40.3 -5.5 0.8 32.5 8 11 A A H X S+ 0 0 51 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.901 108.6 50.9 -67.0 -37.8 -6.6 -0.3 29.1 9 12 A E H X S+ 0 0 48 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.898 111.3 48.5 -64.1 -42.8 -3.4 1.0 27.5 10 13 A F H X S+ 0 0 51 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.926 112.9 48.4 -60.1 -47.9 -1.4 -1.0 30.2 11 14 A K H X S+ 0 0 131 -4,-3.0 4,-2.8 2,-0.2 -2,-0.2 0.908 110.4 50.3 -54.9 -48.2 -3.5 -4.1 29.5 12 15 A E H X S+ 0 0 80 -4,-2.6 4,-1.2 1,-0.2 -1,-0.2 0.894 112.7 47.6 -60.9 -41.2 -3.0 -3.8 25.7 13 16 A A H X S+ 0 0 4 -4,-2.1 4,-1.0 2,-0.2 3,-0.3 0.906 111.8 48.8 -65.7 -45.8 0.8 -3.4 26.2 14 17 A F H >X S+ 0 0 10 -4,-2.6 4,-2.9 1,-0.2 3,-0.7 0.932 109.4 54.5 -58.9 -42.3 0.9 -6.4 28.6 15 18 A S H 3< S+ 0 0 73 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.746 94.4 67.2 -66.3 -27.3 -1.1 -8.5 26.0 16 19 A L H 3< S+ 0 0 14 -4,-1.2 -1,-0.3 -3,-0.3 -2,-0.2 0.916 116.3 28.1 -55.8 -44.3 1.3 -7.8 23.2 17 20 A F H << S+ 0 0 1 -4,-1.0 2,-2.8 -3,-0.7 -2,-0.2 0.893 108.7 69.7 -85.2 -44.4 3.8 -9.8 25.1 18 21 A D >< + 0 0 9 -4,-2.9 3,-2.1 1,-0.2 -1,-0.2 -0.394 61.1 166.7 -81.1 69.9 1.6 -12.2 27.1 19 22 A K T 3 S+ 0 0 98 -2,-2.8 -1,-0.2 1,-0.3 6,-0.1 0.780 72.4 49.5 -59.0 -32.9 0.6 -14.1 23.9 20 23 A D T 3 S- 0 0 105 -3,-0.2 -1,-0.3 4,-0.2 -2,-0.1 0.355 102.4-129.8 -91.4 9.6 -1.0 -17.0 25.8 21 24 A G < + 0 0 62 -3,-2.1 -2,-0.1 -6,-0.2 -3,-0.1 0.677 67.9 130.0 51.9 24.6 -3.1 -14.7 28.1 22 25 A D S S- 0 0 90 2,-0.3 -1,-0.1 1,-0.0 3,-0.1 0.493 77.3-114.3 -86.2 1.4 -1.8 -16.6 31.2 23 26 A G S S+ 0 0 33 1,-0.2 40,-0.4 -5,-0.2 2,-0.4 0.567 86.5 93.5 79.9 9.6 -0.9 -13.3 33.0 24 27 A T - 0 0 40 38,-0.1 2,-0.6 39,-0.1 -2,-0.3 -0.989 64.1-143.4-133.8 140.4 2.9 -13.9 33.0 25 28 A I B -A 61 0A 0 36,-2.6 36,-2.6 -2,-0.4 2,-0.2 -0.933 22.4-168.1-108.3 124.4 5.5 -12.8 30.5 26 29 A T > - 0 0 39 -2,-0.6 4,-2.7 -9,-0.2 5,-0.2 -0.523 38.4-105.3-102.9 170.0 8.2 -15.3 29.8 27 30 A T H > S+ 0 0 20 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.888 123.0 56.7 -59.8 -39.2 11.6 -15.0 28.0 28 31 A K H > S+ 0 0 148 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.933 110.9 41.9 -52.2 -50.8 9.9 -17.0 25.1 29 32 A E H > S+ 0 0 9 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.910 114.0 50.2 -68.8 -41.8 7.1 -14.4 24.9 30 33 A L H X S+ 0 0 2 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.935 114.1 47.1 -62.7 -43.9 9.4 -11.4 25.2 31 34 A G H X S+ 0 0 0 -4,-2.7 4,-2.9 -5,-0.2 5,-0.3 0.840 105.8 58.0 -61.9 -39.6 11.6 -12.9 22.5 32 35 A T H X S+ 0 0 57 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.942 110.1 44.2 -59.9 -43.1 8.7 -13.7 20.2 33 36 A V H X S+ 0 0 1 -4,-1.9 4,-1.3 2,-0.2 -2,-0.2 0.955 114.5 48.4 -67.9 -47.1 7.7 -10.0 20.1 34 37 A M H <>S+ 0 0 0 -4,-2.2 5,-2.2 1,-0.2 3,-0.4 0.920 111.5 49.0 -62.9 -43.7 11.3 -8.8 19.7 35 38 A R H ><5S+ 0 0 109 -4,-2.9 3,-2.6 1,-0.2 -1,-0.2 0.916 106.7 55.0 -60.3 -45.8 12.0 -11.2 16.8 36 39 A S H 3<5S+ 0 0 46 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.810 106.6 54.0 -59.8 -27.8 8.8 -10.3 14.9 37 40 A L T 3<5S- 0 0 50 -4,-1.3 -1,-0.3 -3,-0.4 -2,-0.2 0.325 127.9-102.8 -87.2 7.8 10.1 -6.7 15.1 38 41 A G T < 5S+ 0 0 71 -3,-2.6 -3,-0.2 1,-0.3 -2,-0.1 0.321 81.7 124.9 92.8 -6.6 13.4 -7.8 13.5 39 42 A Q < - 0 0 30 -5,-2.2 -1,-0.3 -6,-0.2 -2,-0.1 -0.308 46.7-154.1 -79.9 165.9 15.5 -7.9 16.7 40 43 A N + 0 0 137 -3,-0.1 -9,-0.1 -2,-0.1 2,-0.0 -0.357 20.4 172.5-139.2 59.0 17.5 -10.9 17.8 41 44 A P - 0 0 13 0, 0.0 2,-0.1 0, 0.0 -6,-0.1 -0.411 30.8-121.1 -67.2 148.1 18.1 -10.9 21.6 42 45 A T > - 0 0 77 1,-0.1 4,-2.5 -2,-0.0 5,-0.2 -0.458 24.5-107.6 -77.3 159.9 19.6 -13.9 23.2 43 46 A E H > S+ 0 0 107 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.920 121.3 51.2 -49.2 -47.9 17.9 -15.9 25.9 44 47 A A H > S+ 0 0 64 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.913 108.6 49.7 -63.5 -41.7 20.4 -14.5 28.4 45 48 A E H > S+ 0 0 99 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.893 111.7 49.3 -62.6 -42.5 19.8 -10.9 27.4 46 49 A L H X S+ 0 0 2 -4,-2.5 4,-1.8 2,-0.2 -2,-0.2 0.903 110.2 51.0 -60.9 -44.1 16.0 -11.5 27.6 47 50 A Q H X S+ 0 0 54 -4,-2.7 4,-2.8 -5,-0.2 -2,-0.2 0.892 106.2 54.5 -61.3 -39.0 16.4 -13.0 31.1 48 51 A D H X S+ 0 0 97 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.894 106.0 53.9 -63.5 -35.6 18.5 -10.0 32.2 49 52 A M H X S+ 0 0 21 -4,-1.7 4,-0.7 1,-0.2 -1,-0.2 0.909 111.8 44.4 -60.7 -46.9 15.5 -7.7 31.1 50 53 A I H >X S+ 0 0 0 -4,-1.8 3,-1.4 1,-0.2 4,-1.2 0.936 107.5 57.6 -59.9 -48.7 13.2 -9.7 33.3 51 54 A N H 3< S+ 0 0 82 -4,-2.8 3,-0.4 1,-0.3 -2,-0.2 0.850 96.8 65.0 -53.5 -39.9 15.6 -9.8 36.3 52 55 A E H 3< S+ 0 0 110 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.822 118.7 22.5 -49.1 -42.1 15.7 -6.0 36.4 53 56 A V H << S+ 0 0 7 -3,-1.4 2,-2.4 -4,-0.7 -1,-0.2 0.429 88.8 116.8-111.0 0.9 12.0 -5.8 37.2 54 57 A D >< + 0 0 19 -4,-1.2 3,-1.8 -3,-0.4 5,-0.2 -0.385 33.7 171.1 -77.0 73.7 11.4 -9.3 38.8 55 58 A A T 3 S+ 0 0 96 -2,-2.4 -1,-0.2 1,-0.3 6,-0.1 0.779 75.2 44.7 -55.1 -34.6 10.5 -8.3 42.3 56 59 A D T 3 S- 0 0 91 -3,-0.2 -1,-0.3 1,-0.0 -2,-0.1 0.438 102.4-127.9 -94.4 6.7 9.4 -11.7 43.5 57 60 A G < + 0 0 59 -3,-1.8 -2,-0.1 -6,-0.1 -3,-0.1 0.581 69.1 128.2 65.7 11.3 12.4 -13.6 42.0 58 61 A N S S- 0 0 93 2,-0.2 -1,-0.1 1,-0.1 3,-0.1 0.417 75.9-116.6 -82.0 -1.0 10.2 -16.1 40.1 59 62 A G S S+ 0 0 22 1,-0.2 2,-0.3 -5,-0.2 -32,-0.2 0.350 83.6 80.3 86.7 -0.6 11.9 -15.5 36.8 60 63 A T S S- 0 0 32 -34,-0.1 2,-0.5 -10,-0.1 -2,-0.2 -0.861 78.6-108.5-135.6 162.7 9.0 -14.1 34.8 61 64 A I B -A 25 0A 0 -36,-2.6 -36,-2.6 -2,-0.3 2,-0.1 -0.819 30.9-171.9 -97.4 124.6 7.2 -10.7 34.6 62 65 A D > - 0 0 44 -2,-0.5 4,-2.2 -38,-0.2 5,-0.2 -0.416 44.0 -83.3-101.6-174.2 3.7 -10.3 36.1 63 66 A F H > S+ 0 0 66 -40,-0.4 4,-2.1 1,-0.2 5,-0.2 0.938 125.9 42.2 -60.5 -53.8 1.4 -7.3 35.7 64 67 A P H > S+ 0 0 78 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.894 114.3 54.0 -66.0 -31.7 2.7 -4.9 38.4 65 68 A E H > S+ 0 0 9 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.896 107.8 51.4 -63.6 -36.9 6.3 -5.9 37.4 66 69 A F H X S+ 0 0 1 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.893 105.3 53.7 -62.7 -40.6 5.4 -4.9 33.8 67 70 A L H X S+ 0 0 55 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.895 107.6 52.8 -62.7 -35.8 4.1 -1.6 35.0 68 71 A T H X S+ 0 0 50 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.924 106.7 51.2 -62.4 -46.6 7.5 -1.2 36.6 69 72 A M H X S+ 0 0 4 -4,-2.2 4,-3.6 1,-0.2 5,-0.3 0.913 110.5 49.6 -57.3 -45.7 9.3 -1.9 33.3 70 73 A M H X S+ 0 0 24 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.885 108.6 52.1 -63.1 -38.7 7.2 0.7 31.5 71 74 A A H < S+ 0 0 81 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.843 119.6 36.7 -62.7 -36.0 7.9 3.3 34.2 72 75 A R H < S+ 0 0 151 -4,-1.9 -2,-0.2 -5,-0.1 -1,-0.2 0.849 121.2 41.6 -89.0 -38.7 11.6 2.7 33.8 73 76 A K H < 0 0 58 -4,-3.6 -3,-0.2 -5,-0.2 -2,-0.2 0.714 360.0 360.0 -89.3 -16.9 11.9 2.1 30.1 74 77 A M < 0 0 84 -4,-2.3 -1,-0.2 -5,-0.3 81,-0.0 -0.744 360.0 360.0-108.5 360.0 9.6 4.8 28.9 75 ! 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 76 81 A D > 0 0 103 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 52.6 15.8 12.0 23.8 77 82 A S H > + 0 0 79 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.907 360.0 45.8 -38.8 -57.3 12.2 12.8 22.8 78 83 A E H > S+ 0 0 151 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.932 112.9 45.0 -58.4 -54.9 13.3 13.7 19.3 79 84 A E H > S+ 0 0 115 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.843 114.0 52.1 -67.0 -29.6 15.7 10.7 18.5 80 85 A E H X S+ 0 0 32 -4,-2.4 4,-1.4 2,-0.2 -1,-0.2 0.891 110.6 45.9 -73.9 -41.7 13.1 8.3 20.0 81 86 A I H X S+ 0 0 32 -4,-2.0 4,-2.4 -5,-0.2 -2,-0.2 0.922 114.2 49.6 -64.8 -44.3 10.2 9.6 17.8 82 87 A R H X S+ 0 0 36 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.929 108.4 51.8 -65.0 -40.8 12.5 9.6 14.7 83 88 A E H X S+ 0 0 62 -4,-2.2 4,-1.0 1,-0.2 -1,-0.2 0.855 111.7 48.1 -62.3 -35.4 13.7 6.0 15.2 84 89 A A H X S+ 0 0 0 -4,-1.4 4,-1.8 2,-0.2 3,-0.4 0.908 107.9 54.3 -69.7 -44.8 10.1 4.9 15.5 85 90 A F H X S+ 0 0 21 -4,-2.4 4,-3.5 1,-0.2 -2,-0.2 0.902 103.7 56.9 -52.8 -44.7 9.1 6.7 12.4 86 91 A R H < S+ 0 0 141 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.831 104.6 52.1 -60.1 -35.0 11.9 4.9 10.5 87 92 A V H < S+ 0 0 47 -4,-1.0 3,-0.3 -3,-0.4 -1,-0.2 0.911 116.0 39.9 -64.8 -45.1 10.3 1.5 11.5 88 93 A F H < S+ 0 0 0 -4,-1.8 2,-2.2 1,-0.2 -2,-0.2 0.946 110.1 58.3 -68.1 -50.5 6.9 2.6 10.2 89 94 A D S >< S+ 0 0 11 -4,-3.5 3,-1.6 1,-0.2 -1,-0.2 -0.442 70.8 168.4 -80.7 67.9 8.2 4.4 7.1 90 95 A K T 3 S+ 0 0 145 -2,-2.2 -1,-0.2 -3,-0.3 -2,-0.1 0.824 72.2 46.0 -56.0 -37.7 9.9 1.2 5.8 91 96 A D T 3 S- 0 0 107 -3,-0.2 -1,-0.3 4,-0.2 -2,-0.1 0.560 105.5-128.0 -88.0 -5.8 10.7 2.5 2.3 92 97 A G S < S+ 0 0 56 -3,-1.6 -2,-0.1 -6,-0.2 4,-0.1 0.677 72.1 121.8 77.4 20.8 12.0 5.8 3.7 93 98 A N S S- 0 0 85 2,-0.3 -1,-0.1 40,-0.0 -3,-0.1 0.223 79.6-121.2 -83.1 10.3 10.0 8.2 1.5 94 99 A G S S+ 0 0 27 -5,-0.1 40,-0.8 1,-0.1 2,-0.4 0.366 80.0 101.1 -81.6 97.3 8.8 9.4 4.5 95 100 A Y E -B 133 0B 91 38,-0.2 2,-0.8 39,-0.1 -2,-0.3 -0.989 67.6-131.3-126.3 136.1 5.1 9.0 4.3 96 101 A I E -B 132 0B 0 36,-3.4 36,-2.1 -2,-0.4 -7,-0.1 -0.836 29.5-154.7 -88.7 115.3 3.7 6.0 6.2 97 102 A S > - 0 0 32 -2,-0.8 4,-2.4 -9,-0.2 5,-0.2 -0.261 28.0-108.7 -80.3 167.0 1.4 4.3 3.8 98 103 A A H > S+ 0 0 37 32,-0.2 4,-2.9 2,-0.2 5,-0.2 0.935 122.4 51.5 -60.1 -44.6 -1.5 2.1 4.7 99 104 A A H > S+ 0 0 77 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.867 109.7 49.2 -61.0 -37.6 0.5 -0.9 3.6 100 105 A E H > S+ 0 0 22 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.922 111.8 49.2 -67.8 -43.1 3.5 0.1 5.8 101 106 A L H X S+ 0 0 0 -4,-2.4 4,-3.1 1,-0.2 5,-0.2 0.946 108.8 52.2 -62.1 -47.4 1.2 0.6 8.8 102 107 A R H X S+ 0 0 75 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.889 107.3 53.7 -56.8 -37.0 -0.4 -2.8 8.2 103 108 A H H X S+ 0 0 32 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.935 111.3 44.4 -63.4 -47.8 3.0 -4.5 8.2 104 109 A V H X S+ 0 0 5 -4,-2.1 4,-1.4 1,-0.2 -2,-0.2 0.958 114.0 50.6 -59.0 -49.0 4.0 -2.9 11.5 105 110 A M H <>S+ 0 0 3 -4,-3.1 5,-2.4 1,-0.2 -2,-0.2 0.841 107.5 53.0 -61.6 -35.9 0.6 -3.8 13.0 106 111 A T H ><5S+ 0 0 76 -4,-2.4 3,-2.2 -5,-0.2 -1,-0.2 0.954 106.4 52.5 -61.7 -47.7 0.9 -7.4 11.8 107 112 A N H 3<5S+ 0 0 62 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.745 103.6 59.5 -60.2 -24.4 4.3 -7.7 13.6 108 113 A L T 3<5S- 0 0 12 -4,-1.4 -1,-0.3 2,-0.2 -2,-0.2 0.122 125.4-106.5 -84.6 16.8 2.5 -6.4 16.6 109 114 A G T < 5S+ 0 0 58 -3,-2.2 2,-0.5 1,-0.2 -3,-0.2 0.804 80.6 131.6 60.2 29.0 0.2 -9.5 16.4 110 115 A E < - 0 0 109 -5,-2.4 2,-0.8 -6,-0.1 -1,-0.2 -0.967 44.3-159.3-113.7 121.6 -2.7 -7.4 15.1 111 116 A K - 0 0 78 -2,-0.5 2,-0.3 -3,-0.1 -5,-0.0 -0.892 24.7-178.6-100.8 104.0 -4.5 -8.7 12.0 112 117 A L - 0 0 36 -2,-0.8 2,-0.2 -10,-0.2 -6,-0.0 -0.795 21.5-142.3-111.5 149.7 -6.3 -5.7 10.6 113 118 A T > - 0 0 78 -2,-0.3 4,-1.2 1,-0.0 5,-0.2 -0.455 40.4 -93.9 -92.1 175.1 -8.5 -5.1 7.6 114 119 A D H > S+ 0 0 97 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.820 116.2 61.2 -59.3 -33.4 -8.5 -2.0 5.4 115 120 A E H > S+ 0 0 155 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.930 108.7 36.1 -71.8 -48.6 -11.2 -0.1 7.3 116 121 A E H > S+ 0 0 74 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.669 111.5 62.5 -76.3 -17.4 -9.6 0.2 10.8 117 122 A V H X S+ 0 0 2 -4,-1.2 4,-2.5 2,-0.2 -2,-0.2 0.954 107.7 44.4 -63.2 -46.3 -6.2 0.7 9.1 118 123 A D H X S+ 0 0 80 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.831 111.2 53.5 -63.3 -34.0 -7.8 3.8 7.7 119 124 A E H < S+ 0 0 45 -4,-1.3 4,-0.5 2,-0.2 -1,-0.2 0.948 108.3 49.9 -64.8 -46.6 -9.3 4.6 11.1 120 125 A M H >< S+ 0 0 16 -4,-2.7 3,-1.8 1,-0.2 4,-0.5 0.934 109.6 51.2 -54.0 -49.0 -5.8 4.4 12.6 121 126 A I H >X S+ 0 0 5 -4,-2.5 4,-2.6 1,-0.3 3,-1.6 0.869 98.2 66.0 -61.9 -36.8 -4.6 6.7 9.9 122 127 A R T 3< S+ 0 0 181 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.589 90.9 66.6 -62.1 -10.9 -7.3 9.2 10.7 123 128 A E T <4 S+ 0 0 66 -3,-1.8 -1,-0.3 -4,-0.5 -2,-0.2 0.803 119.6 17.0 -73.6 -32.0 -5.7 9.8 14.1 124 129 A A T <4 S+ 0 0 2 -3,-1.6 2,-0.7 -4,-0.5 -2,-0.2 0.629 94.5 105.9-115.8 -23.8 -2.7 11.4 12.6 125 130 A D < + 0 0 26 -4,-2.6 7,-0.1 1,-0.2 5,-0.0 -0.508 35.2 171.5 -73.8 106.1 -3.5 12.4 9.0 126 131 A I S S+ 0 0 117 -2,-0.7 -1,-0.2 1,-0.1 6,-0.1 0.249 77.7 38.6 -99.9 10.0 -3.9 16.2 8.9 127 132 A D S S- 0 0 97 4,-0.2 -1,-0.1 0, 0.0 -2,-0.1 0.374 102.4-123.1-134.9 0.3 -4.2 16.7 5.2 128 133 A G + 0 0 62 3,-0.1 -6,-0.0 1,-0.1 -3,-0.0 0.749 68.4 133.0 66.5 28.2 -6.3 13.7 4.3 129 134 A D S S- 0 0 65 2,-0.3 -1,-0.1 1,-0.0 3,-0.1 0.349 77.8-113.0 -85.1 4.8 -3.8 12.1 1.8 130 135 A G S S+ 0 0 34 1,-0.2 2,-0.3 -33,-0.1 -32,-0.2 0.665 86.7 91.0 73.8 18.6 -4.3 8.7 3.6 131 136 A Q S S- 0 0 55 -34,-0.1 2,-0.6 -10,-0.1 -2,-0.3 -0.966 71.9-126.7-139.3 162.4 -0.7 8.7 4.8 132 137 A V E -B 96 0B 0 -36,-2.1 -36,-3.4 -2,-0.3 2,-0.1 -0.927 25.7-168.2-112.6 117.0 1.2 9.9 7.8 133 138 A N E > -B 95 0B 30 -2,-0.6 4,-2.1 -38,-0.3 -38,-0.2 -0.438 40.2 -92.9 -93.8 174.6 4.2 12.1 7.2 134 139 A Y H > S+ 0 0 82 -40,-0.8 4,-2.2 1,-0.2 5,-0.2 0.896 123.4 48.7 -57.3 -50.4 6.9 13.0 9.8 135 140 A E H > S+ 0 0 146 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.890 113.4 48.1 -53.3 -43.0 5.3 16.2 11.0 136 141 A E H > S+ 0 0 9 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.853 109.3 54.8 -67.2 -32.9 1.9 14.5 11.4 137 142 A F H X S+ 0 0 0 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.910 107.9 48.3 -65.6 -44.4 3.7 11.7 13.3 138 143 A V H X S+ 0 0 41 -4,-2.2 4,-1.3 2,-0.2 -2,-0.2 0.899 111.4 51.1 -63.4 -45.3 5.2 14.1 15.8 139 144 A Q H X S+ 0 0 101 -4,-2.0 4,-1.4 1,-0.2 3,-0.5 0.924 108.2 51.1 -54.8 -52.4 1.8 15.7 16.3 140 145 A M H < S+ 0 0 14 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.895 110.5 49.2 -55.2 -42.6 0.2 12.4 17.0 141 146 A M H < S+ 0 0 30 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.744 115.9 42.3 -71.9 -23.6 2.8 11.5 19.6 142 147 A T H < 0 0 103 -4,-1.3 -1,-0.2 -3,-0.5 -2,-0.2 0.590 360.0 360.0 -97.3 -13.2 2.6 14.8 21.5 143 148 A A < 0 0 110 -4,-1.4 -3,-0.0 -3,-0.2 -4,-0.0 -0.090 360.0 360.0 -74.1 360.0 -1.2 15.3 21.5 144 !* 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 0.0 145 304 B K > 0 0 92 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -30.9 -4.4 2.6 18.6 146 305 B Y H > + 0 0 1 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.956 360.0 41.4 -63.3 -53.4 -1.9 4.5 16.4 147 306 B K H > S+ 0 0 68 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.912 116.0 52.1 -57.5 -43.6 -0.2 6.5 19.1 148 307 B Q H > S+ 0 0 60 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.825 107.5 53.0 -62.3 -37.9 -0.2 3.4 21.4 149 308 B S H X S+ 0 0 12 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.885 105.5 52.4 -66.2 -42.3 1.4 1.3 18.7 150 309 B V H X S+ 0 0 2 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.915 107.6 52.9 -58.3 -42.3 4.2 3.7 18.2 151 310 B R H X S+ 0 0 60 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.862 106.4 53.3 -60.6 -34.1 4.9 3.5 22.0 152 311 B L H X S+ 0 0 25 -4,-1.4 4,-1.9 2,-0.2 -1,-0.2 0.912 109.2 48.1 -72.8 -39.2 5.0 -0.3 21.8 153 312 B I H X S+ 0 0 2 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.894 112.2 49.7 -59.1 -47.5 7.7 -0.1 19.0 154 313 B S H X S+ 0 0 11 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.876 106.5 56.7 -62.0 -39.7 9.6 2.4 21.1 155 314 B L H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.965 110.3 42.7 -55.1 -54.2 9.4 0.1 24.1 156 315 B C H X S+ 0 0 5 -4,-1.9 4,-1.8 1,-0.2 -2,-0.2 0.880 111.2 55.8 -62.9 -40.5 11.1 -2.8 22.3 157 316 B Q H < S+ 0 0 46 -4,-2.3 -1,-0.2 2,-0.2 -2,-0.2 0.922 109.2 47.1 -53.5 -44.9 13.6 -0.5 20.7 158 317 B R H < S+ 0 0 103 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.921 107.2 57.3 -69.0 -37.1 14.6 0.7 24.2 159 318 B L H < 0 0 18 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.841 360.0 360.0 -57.0 -36.4 14.8 -3.0 25.5 160 319 B S < 0 0 95 -4,-1.8 -3,-0.0 -3,-0.2 -121,-0.0 -0.086 360.0 360.0 -79.2 360.0 17.4 -3.8 22.8