==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL BINDING PROTEIN 22-NOV-05 2F3Y . COMPND 2 MOLECULE: CALMODULIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.L.FALLON,F.A.QUIOCHO . 164 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9251.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 117 71.3 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 3.7 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 . 11 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 85 51.8 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 0 0 1 3 2 0 1 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 . 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 3 A Q 0 0 234 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 174.2 10.8 7.5 -6.0 2 4 A L - 0 0 68 4,-0.1 2,-0.2 3,-0.0 69,-0.0 -0.592 360.0-161.3 -77.8 125.4 8.6 5.5 -3.6 3 5 A T > - 0 0 77 -2,-0.4 4,-2.5 1,-0.1 5,-0.2 -0.568 33.8-106.5 -99.3 166.4 8.7 1.7 -4.0 4 6 A E H > S+ 0 0 180 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.911 123.5 48.4 -58.2 -42.5 6.2 -0.8 -2.7 5 7 A E H > S+ 0 0 135 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.892 110.1 51.5 -64.6 -41.2 8.6 -1.9 -0.0 6 8 A Q H > S+ 0 0 34 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.892 108.5 50.3 -64.7 -41.2 9.4 1.7 1.0 7 9 A I H X S+ 0 0 62 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.896 109.9 52.2 -63.7 -38.3 5.7 2.5 1.4 8 10 A A H X S+ 0 0 49 -4,-1.8 4,-1.4 -5,-0.2 -2,-0.2 0.897 109.3 49.0 -63.9 -41.4 5.4 -0.6 3.6 9 11 A E H X S+ 0 0 15 -4,-2.2 4,-1.1 2,-0.2 3,-0.3 0.932 111.9 47.9 -64.4 -45.7 8.3 0.6 5.7 10 12 A F H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 3,-0.2 0.852 107.9 56.6 -63.5 -33.0 6.8 4.1 6.1 11 13 A K H X S+ 0 0 93 -4,-2.1 4,-2.9 1,-0.2 -1,-0.2 0.838 100.4 58.4 -66.4 -32.0 3.4 2.4 6.9 12 14 A E H X S+ 0 0 99 -4,-1.4 4,-0.8 -3,-0.3 -1,-0.2 0.844 109.5 44.3 -65.7 -32.6 5.2 0.6 9.8 13 15 A A H >X S+ 0 0 0 -4,-1.1 4,-1.1 -3,-0.2 3,-0.6 0.925 112.7 51.1 -75.3 -46.2 6.1 4.0 11.2 14 16 A F H >X S+ 0 0 3 -4,-2.6 4,-3.0 1,-0.2 3,-0.7 0.908 106.1 55.6 -56.4 -45.1 2.6 5.4 10.6 15 17 A S H 3< S+ 0 0 61 -4,-2.9 -1,-0.2 1,-0.2 6,-0.2 0.813 99.4 60.6 -59.1 -33.1 1.1 2.4 12.4 16 18 A L H << S+ 0 0 25 -4,-0.8 -1,-0.2 -3,-0.6 -2,-0.2 0.878 114.8 34.9 -63.1 -37.0 3.1 3.1 15.5 17 19 A F H << S+ 0 0 0 -4,-1.1 2,-2.1 -3,-0.7 9,-0.3 0.858 107.1 67.4 -85.0 -39.1 1.5 6.5 15.8 18 20 A D >< + 0 0 11 -4,-3.0 3,-1.6 1,-0.2 -1,-0.2 -0.483 66.4 170.9 -82.8 70.0 -2.0 5.5 14.5 19 21 A K T 3 S+ 0 0 112 -2,-2.1 -1,-0.2 1,-0.3 6,-0.1 0.835 73.4 42.3 -49.9 -47.7 -2.7 3.4 17.5 20 22 A D T 3 S- 0 0 104 -3,-0.2 -1,-0.3 4,-0.2 -2,-0.1 0.457 103.6-130.1 -84.0 1.5 -6.4 2.7 16.9 21 23 A G < + 0 0 56 -3,-1.6 -2,-0.1 -6,-0.2 4,-0.1 0.793 62.9 138.3 56.6 32.9 -5.7 2.2 13.2 22 24 A D S S- 0 0 87 2,-0.3 -1,-0.1 1,-0.0 3,-0.1 0.391 76.8-105.1 -88.1 4.0 -8.4 4.5 12.1 23 25 A G S S+ 0 0 31 -5,-0.2 40,-0.6 1,-0.2 2,-0.4 0.391 92.0 83.8 91.6 -4.0 -6.2 6.0 9.4 24 26 A T E -A 62 0A 35 38,-0.2 2,-0.6 39,-0.1 -2,-0.3 -0.990 67.9-136.2-136.0 143.0 -5.4 9.3 11.1 25 27 A I E -A 61 0A 0 36,-2.6 36,-1.8 -2,-0.4 2,-0.2 -0.871 29.3-162.2 -97.5 121.9 -2.9 10.4 13.7 26 28 A T > - 0 0 39 -2,-0.6 4,-2.6 -9,-0.3 5,-0.2 -0.492 33.9-105.9 -99.6 170.1 -4.4 12.6 16.4 27 29 A T H > S+ 0 0 43 32,-0.3 4,-2.4 1,-0.2 5,-0.1 0.924 122.4 51.4 -57.1 -46.3 -2.9 14.9 19.0 28 30 A K H > S+ 0 0 170 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.917 110.3 46.7 -59.1 -48.2 -3.7 12.4 21.6 29 31 A E H > S+ 0 0 16 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.902 111.8 51.0 -64.1 -40.6 -2.0 9.5 19.8 30 32 A L H X S+ 0 0 0 -4,-2.6 4,-3.1 1,-0.2 5,-0.2 0.912 107.3 54.6 -63.6 -40.1 1.0 11.6 19.0 31 33 A G H X S+ 0 0 0 -4,-2.4 4,-2.4 -5,-0.2 -1,-0.2 0.926 107.5 50.6 -58.0 -44.8 1.3 12.5 22.7 32 34 A T H X S+ 0 0 65 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.939 114.3 41.9 -59.7 -50.3 1.3 8.8 23.7 33 35 A V H X S+ 0 0 1 -4,-2.2 4,-0.9 2,-0.2 -2,-0.2 0.927 112.5 54.5 -65.6 -43.3 4.1 7.9 21.3 34 36 A M H ><>S+ 0 0 8 -4,-3.1 5,-2.4 1,-0.2 3,-0.9 0.916 109.4 47.5 -56.9 -43.7 6.1 11.0 22.1 35 37 A R H ><5S+ 0 0 127 -4,-2.4 3,-1.8 1,-0.3 -1,-0.2 0.878 105.6 58.8 -66.0 -34.6 6.0 10.2 25.8 36 38 A S H 3<5S+ 0 0 29 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.698 104.6 53.1 -66.1 -17.4 7.0 6.6 25.0 37 39 A L T <<5S- 0 0 1 -4,-0.9 -1,-0.3 -3,-0.9 -2,-0.2 0.368 128.0 -98.2 -97.4 3.3 10.1 8.1 23.4 38 40 A G T < 5S+ 0 0 42 -3,-1.8 -3,-0.2 1,-0.3 2,-0.2 0.506 86.4 121.3 93.9 5.2 11.1 10.1 26.4 39 41 A Q < - 0 0 64 -5,-2.4 -1,-0.3 -6,-0.2 -2,-0.1 -0.478 45.2-161.7 -94.7 168.7 9.5 13.4 25.3 40 42 A N - 0 0 134 -2,-0.2 2,-0.1 -3,-0.1 -9,-0.1 -0.411 16.7-180.0-151.1 69.4 6.8 15.4 27.0 41 43 A P - 0 0 15 0, 0.0 2,-0.1 0, 0.0 -6,-0.1 -0.401 23.2-126.9 -74.4 147.3 5.2 17.9 24.6 42 44 A T > - 0 0 78 -2,-0.1 4,-2.4 1,-0.1 5,-0.2 -0.287 35.3 -96.7 -80.3 175.1 2.4 20.2 25.7 43 45 A E H > S+ 0 0 136 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.914 127.4 50.9 -59.6 -43.5 -0.9 20.4 23.8 44 46 A A H > S+ 0 0 51 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.898 109.4 49.8 -61.9 -42.5 0.4 23.4 21.9 45 47 A E H > S+ 0 0 99 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.902 111.2 49.0 -64.6 -40.5 3.6 21.6 20.9 46 48 A L H X S+ 0 0 10 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.909 109.9 51.3 -65.3 -42.0 1.7 18.5 19.7 47 49 A Q H X S+ 0 0 80 -4,-2.4 4,-2.8 1,-0.2 -1,-0.2 0.890 109.2 51.4 -62.1 -39.7 -0.7 20.7 17.6 48 50 A D H X S+ 0 0 98 -4,-2.1 4,-1.5 2,-0.2 -1,-0.2 0.921 109.0 50.4 -63.3 -43.8 2.4 22.4 16.1 49 51 A M H X S+ 0 0 32 -4,-2.1 4,-0.5 1,-0.2 -2,-0.2 0.883 113.3 45.2 -62.2 -39.3 3.9 19.0 15.2 50 52 A I H >X S+ 0 0 1 -4,-2.2 4,-2.9 1,-0.2 3,-1.4 0.922 107.5 59.8 -69.1 -42.9 0.6 17.9 13.6 51 53 A N H 3< S+ 0 0 96 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.812 97.3 59.5 -54.3 -35.9 0.3 21.3 11.8 52 54 A E H 3< S+ 0 0 158 -4,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.756 119.2 27.6 -67.7 -24.5 3.6 20.8 9.9 53 55 A V H << S+ 0 0 14 -3,-1.4 2,-2.0 -4,-0.5 -2,-0.2 0.676 96.4 93.1-108.0 -25.8 2.4 17.6 8.3 54 56 A D >< + 0 0 10 -4,-2.9 3,-1.4 1,-0.2 5,-0.2 -0.486 50.4 175.9 -74.5 80.3 -1.4 18.2 8.2 55 57 A A T 3 S+ 0 0 92 -2,-2.0 -1,-0.2 1,-0.3 6,-0.1 0.777 76.0 44.9 -58.7 -34.5 -1.6 19.7 4.7 56 58 A D T 3 S- 0 0 98 4,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.423 103.8-128.6 -94.1 4.3 -5.4 20.0 4.5 57 59 A G < + 0 0 58 -3,-1.4 -2,-0.1 -6,-0.1 4,-0.1 0.737 64.1 134.8 60.2 29.3 -5.7 21.5 8.0 58 60 A N S S- 0 0 96 2,-0.3 -1,-0.1 1,-0.0 3,-0.1 0.368 78.8-105.1 -89.1 7.8 -8.3 19.1 9.4 59 61 A G S S+ 0 0 32 1,-0.2 2,-0.3 -5,-0.2 -32,-0.3 0.432 91.2 71.1 90.0 -2.1 -6.3 18.7 12.6 60 62 A T S S- 0 0 27 -34,-0.1 2,-0.5 -10,-0.1 -2,-0.3 -0.913 75.6-116.0-140.6 167.2 -4.9 15.2 12.0 61 63 A I E -A 25 0A 0 -36,-1.8 -36,-2.6 -2,-0.3 2,-0.2 -0.926 27.9-166.5-109.1 124.0 -2.4 13.4 9.8 62 64 A D E > -A 24 0A 42 -2,-0.5 4,-2.3 -38,-0.2 -38,-0.2 -0.480 38.3 -95.3 -99.3 177.5 -3.6 10.8 7.3 63 65 A F H > S+ 0 0 49 -40,-0.6 4,-3.3 1,-0.2 5,-0.2 0.911 121.9 50.8 -61.0 -46.7 -1.4 8.3 5.4 64 66 A P H > S+ 0 0 82 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.917 112.8 47.6 -58.2 -41.4 -1.0 10.4 2.2 65 67 A E H > S+ 0 0 16 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.911 113.2 48.8 -64.0 -41.7 0.1 13.4 4.3 66 68 A F H X S+ 0 0 0 -4,-2.3 4,-2.9 1,-0.2 5,-0.2 0.943 111.5 48.9 -63.0 -49.4 2.5 11.2 6.2 67 69 A L H X S+ 0 0 24 -4,-3.3 4,-2.8 1,-0.2 5,-0.3 0.883 108.4 53.9 -58.8 -42.2 4.0 9.6 3.1 68 70 A T H X S+ 0 0 92 -4,-2.3 4,-1.8 -5,-0.2 -1,-0.2 0.933 113.6 41.7 -59.5 -46.6 4.5 13.0 1.5 69 71 A M H X S+ 0 0 6 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.920 116.1 47.9 -68.2 -44.9 6.4 14.3 4.4 70 72 A M H X S+ 0 0 0 -4,-2.9 4,-1.9 1,-0.2 -2,-0.2 0.914 112.1 49.5 -64.1 -42.1 8.4 11.1 5.0 71 73 A A H X S+ 0 0 27 -4,-2.8 4,-1.6 -5,-0.2 -1,-0.2 0.893 110.1 52.1 -63.1 -40.2 9.3 10.8 1.3 72 74 A R H X S+ 0 0 113 -4,-1.8 4,-0.7 -5,-0.3 -2,-0.2 0.923 110.1 47.0 -63.2 -45.3 10.5 14.5 1.3 73 75 A K H < S+ 0 0 65 -4,-2.2 3,-0.4 1,-0.2 -1,-0.2 0.838 109.6 55.0 -67.2 -31.1 12.7 14.0 4.2 74 76 A M H < S+ 0 0 52 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.833 100.6 58.0 -71.2 -32.4 14.2 10.9 2.8 75 77 A K H < S+ 0 0 158 -4,-1.6 2,-1.6 1,-0.2 -1,-0.2 0.718 89.5 77.5 -70.7 -19.6 15.2 12.6 -0.5 76 78 A D >< + 0 0 83 -4,-0.7 3,-1.9 -3,-0.4 -1,-0.2 -0.557 59.4 167.4 -90.4 71.3 17.3 15.0 1.5 77 79 A T T 3 + 0 0 117 -2,-1.6 -1,-0.2 1,-0.3 -2,-0.1 0.655 68.9 61.3 -60.0 -19.9 20.2 12.6 2.1 78 80 A D T 3 S+ 0 0 136 -3,-0.2 -1,-0.3 2,-0.0 2,-0.2 0.472 80.7 111.0 -88.0 -1.8 22.5 15.3 3.3 79 81 A S < + 0 0 38 -3,-1.9 4,-0.1 -6,-0.2 -3,-0.0 -0.530 36.2 173.5 -77.7 137.7 20.3 16.1 6.2 80 82 A E > + 0 0 99 -2,-0.2 4,-2.2 2,-0.1 5,-0.2 0.379 58.3 92.1-120.1 -2.4 21.4 15.3 9.7 81 83 A E H > S+ 0 0 66 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.877 87.0 50.1 -63.1 -37.9 18.6 16.9 11.7 82 84 A E H > S+ 0 0 28 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.841 109.5 51.9 -69.7 -31.6 16.6 13.7 11.9 83 85 A I H > S+ 0 0 13 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.906 109.4 49.6 -69.3 -40.5 19.6 11.8 13.1 84 86 A R H X S+ 0 0 92 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.883 110.1 51.6 -64.2 -37.1 20.1 14.4 15.8 85 87 A E H X S+ 0 0 46 -4,-2.0 4,-1.3 1,-0.2 -2,-0.2 0.903 109.3 49.5 -65.7 -40.7 16.5 14.0 16.7 86 88 A A H X S+ 0 0 0 -4,-2.1 4,-1.7 1,-0.2 -2,-0.2 0.881 107.4 55.1 -65.8 -37.0 16.9 10.2 16.9 87 89 A F H X S+ 0 0 18 -4,-2.2 4,-3.1 1,-0.2 -1,-0.2 0.921 106.9 50.3 -62.3 -41.8 19.9 10.7 19.1 88 90 A R H < S+ 0 0 111 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.786 103.8 59.5 -67.3 -26.3 17.8 12.8 21.5 89 91 A V H < S+ 0 0 0 -4,-1.3 -1,-0.2 1,-0.1 -2,-0.2 0.930 115.5 34.7 -65.8 -43.2 15.2 10.1 21.6 90 92 A F H < S+ 0 0 3 -4,-1.7 2,-2.5 1,-0.2 -2,-0.2 0.915 103.4 73.0 -75.3 -47.5 17.8 7.6 22.9 91 93 A D >< + 0 0 17 -4,-3.1 3,-1.5 1,-0.2 -1,-0.2 -0.394 57.2 165.3 -75.1 69.3 19.9 10.0 25.1 92 94 A K T 3 S+ 0 0 80 -2,-2.5 -1,-0.2 1,-0.3 6,-0.1 0.821 74.8 43.2 -53.2 -42.3 17.3 10.3 27.9 93 95 A D T 3 S- 0 0 104 4,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.423 103.6-128.5 -90.6 3.7 19.8 11.9 30.4 94 96 A G < + 0 0 58 -3,-1.5 -2,-0.1 -6,-0.1 4,-0.1 0.718 66.2 132.0 59.6 26.5 21.4 14.2 27.9 95 97 A N S S- 0 0 79 2,-0.3 -1,-0.1 1,-0.0 3,-0.1 0.436 77.3-110.7 -89.5 3.7 24.9 13.2 28.7 96 98 A G S S+ 0 0 30 1,-0.2 40,-0.6 -5,-0.1 2,-0.4 0.554 88.4 94.6 82.6 7.7 25.9 12.7 25.1 97 99 A Y E -B 135 0B 86 38,-0.2 2,-0.7 39,-0.1 -2,-0.3 -0.996 66.1-140.5-134.7 136.2 26.2 8.9 25.3 98 100 A I E -B 134 0B 3 36,-2.5 36,-2.4 -2,-0.4 2,-0.1 -0.865 25.3-157.8 -96.2 117.7 23.7 6.2 24.5 99 101 A S > - 0 0 40 -2,-0.7 4,-2.3 34,-0.2 5,-0.2 -0.418 31.5-105.5 -87.0 168.4 24.0 3.5 27.2 100 102 A A H > S+ 0 0 25 32,-0.3 4,-2.5 1,-0.2 5,-0.2 0.893 123.8 51.8 -61.0 -39.4 22.8 -0.1 26.7 101 103 A A H > S+ 0 0 55 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.872 108.9 50.5 -65.5 -36.9 19.8 0.6 28.9 102 104 A E H > S+ 0 0 15 2,-0.2 4,-1.5 1,-0.2 -2,-0.2 0.891 110.6 48.6 -68.6 -38.8 18.9 3.7 26.8 103 105 A L H X S+ 0 0 2 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.950 113.5 47.8 -65.0 -46.6 19.1 1.7 23.6 104 106 A R H X S+ 0 0 80 -4,-2.5 4,-3.0 1,-0.2 5,-0.2 0.886 105.0 59.4 -61.6 -40.7 16.9 -1.0 25.1 105 107 A H H X S+ 0 0 92 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.918 108.9 43.3 -56.7 -46.4 14.3 1.4 26.4 106 108 A V H X S+ 0 0 0 -4,-1.5 4,-1.2 2,-0.2 -1,-0.2 0.947 114.3 49.4 -65.3 -48.7 13.6 2.8 23.0 107 109 A M H ><>S+ 0 0 2 -4,-2.0 5,-2.9 1,-0.2 3,-0.6 0.912 109.0 53.9 -58.6 -41.5 13.5 -0.6 21.3 108 110 A T H ><5S+ 0 0 66 -4,-3.0 3,-1.7 1,-0.3 -1,-0.2 0.939 109.9 46.3 -57.8 -48.4 11.2 -1.9 24.0 109 111 A N H 3<5S+ 0 0 63 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.651 106.2 59.5 -72.1 -12.4 8.7 0.9 23.4 110 112 A L T <<5S- 0 0 17 -4,-1.2 -1,-0.3 -3,-0.6 -2,-0.2 0.311 127.6-100.1 -92.9 6.1 9.0 0.4 19.6 111 113 A G T < 5S+ 0 0 60 -3,-1.7 2,-0.8 1,-0.2 -3,-0.2 0.515 86.6 124.1 90.5 6.4 7.7 -3.2 20.3 112 114 A E < - 0 0 74 -5,-2.9 2,-0.7 -6,-0.2 -2,-0.2 -0.840 42.6-164.3-106.4 99.8 11.1 -5.0 20.1 113 115 A K - 0 0 190 -2,-0.8 2,-0.3 -5,-0.1 -5,-0.0 -0.727 17.5-170.3 -83.8 114.7 11.8 -7.0 23.3 114 116 A L - 0 0 17 -2,-0.7 2,-0.1 -10,-0.1 -6,-0.0 -0.803 20.5-122.9-112.4 148.9 15.5 -7.8 23.3 115 117 A T > - 0 0 78 -2,-0.3 4,-2.2 1,-0.1 5,-0.2 -0.394 35.7-106.2 -78.4 163.5 17.7 -10.1 25.4 116 118 A D H > S+ 0 0 107 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.871 122.5 53.5 -58.1 -37.0 20.7 -8.6 27.2 117 119 A E H > S+ 0 0 106 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.907 106.9 50.3 -65.6 -42.3 22.9 -10.3 24.7 118 120 A E H > S+ 0 0 60 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.919 111.7 48.4 -61.9 -43.5 21.1 -8.7 21.7 119 121 A V H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.932 112.0 48.5 -62.8 -45.7 21.4 -5.2 23.3 120 122 A D H X S+ 0 0 71 -4,-2.5 4,-2.9 1,-0.2 -1,-0.2 0.848 109.4 53.9 -63.7 -32.9 25.1 -5.7 24.0 121 123 A E H X S+ 0 0 62 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.907 107.9 49.5 -67.4 -42.1 25.6 -6.9 20.5 122 124 A M H X S+ 0 0 0 -4,-2.1 4,-1.4 2,-0.2 -2,-0.2 0.929 114.4 45.0 -62.8 -44.3 23.9 -3.7 19.1 123 125 A I H X S+ 0 0 10 -4,-2.3 4,-2.4 1,-0.2 3,-0.2 0.940 111.6 52.6 -64.4 -47.4 26.1 -1.5 21.4 124 126 A R H < S+ 0 0 126 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.888 107.6 51.0 -56.3 -44.2 29.3 -3.5 20.5 125 127 A E H < S+ 0 0 129 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.852 119.1 35.9 -63.8 -37.1 28.8 -3.1 16.8 126 128 A A H < S+ 0 0 8 -4,-1.4 2,-2.1 -3,-0.2 -1,-0.2 0.686 93.4 94.6 -89.9 -20.4 28.3 0.7 16.9 127 129 A D >< + 0 0 20 -4,-2.4 3,-1.4 1,-0.2 5,-0.1 -0.449 47.6 170.6 -76.4 74.6 30.8 1.3 19.7 128 130 A I T 3 S+ 0 0 106 -2,-2.1 -1,-0.2 1,-0.3 6,-0.1 0.877 76.8 42.8 -52.3 -47.9 33.9 2.1 17.6 129 131 A D T 3 S- 0 0 89 4,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.482 104.0-130.3 -83.1 -0.0 36.1 3.3 20.5 130 132 A G < + 0 0 55 -3,-1.4 -2,-0.1 -6,-0.1 4,-0.1 0.635 65.2 132.1 64.1 19.7 35.0 0.4 22.7 131 133 A D S S- 0 0 77 2,-0.3 -1,-0.1 1,-0.1 3,-0.1 0.476 79.7-106.1 -81.7 1.1 34.1 2.4 25.8 132 134 A G S S+ 0 0 45 1,-0.2 2,-0.3 -5,-0.1 -32,-0.3 0.389 91.3 74.3 94.6 -5.1 30.8 0.6 26.2 133 135 A Q S S- 0 0 53 -34,-0.1 2,-0.7 -10,-0.1 -2,-0.3 -0.930 77.6-115.2-137.9 162.5 28.5 3.4 25.0 134 136 A V E -B 98 0B 1 -36,-2.4 -36,-2.5 -2,-0.3 -7,-0.1 -0.873 29.3-166.0-103.9 111.3 27.5 5.1 21.7 135 137 A N E > -B 97 0B 33 -2,-0.7 4,-2.2 -38,-0.2 -38,-0.2 -0.258 40.0 -92.6 -83.8 178.5 28.5 8.7 21.4 136 138 A Y H > S+ 0 0 69 -40,-0.6 4,-2.6 2,-0.2 5,-0.2 0.904 124.0 52.1 -61.7 -43.3 27.1 11.0 18.7 137 139 A E H > S+ 0 0 152 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.924 113.5 45.6 -58.2 -44.4 29.9 10.4 16.1 138 140 A E H > S+ 0 0 5 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.872 110.9 54.2 -65.7 -36.9 29.4 6.7 16.5 139 141 A F H X S+ 0 0 0 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.898 102.9 54.7 -65.7 -42.1 25.6 7.1 16.3 140 142 A V H X S+ 0 0 34 -4,-2.6 4,-1.1 1,-0.2 5,-0.2 0.938 111.3 47.3 -56.8 -44.2 25.8 9.0 13.0 141 143 A Q H X S+ 0 0 97 -4,-1.6 4,-2.6 1,-0.2 3,-0.4 0.899 110.5 49.4 -65.3 -41.6 27.7 6.0 11.6 142 144 A M H < S+ 0 0 16 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.751 114.3 47.4 -71.4 -19.8 25.3 3.4 13.0 143 145 A M H < S+ 0 0 25 -4,-1.8 -1,-0.2 -3,-0.2 -2,-0.2 0.619 124.4 28.8 -93.3 -15.4 22.4 5.3 11.5 144 146 A T H < S+ 0 0 79 -4,-1.1 -2,-0.2 -3,-0.4 -3,-0.2 0.582 87.2 115.4-118.6 -17.8 23.9 5.9 8.0 145 147 A A < 0 0 38 -4,-2.6 -4,-0.0 -5,-0.2 0, 0.0 -0.303 360.0 360.0 -58.7 135.0 26.2 2.9 7.5 146 148 A K 0 0 258 15,-0.0 -1,-0.1 -2,-0.0 -4,-0.0 0.969 360.0 360.0 -81.2 360.0 25.2 0.6 4.7 147 !* 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 1665 B K > 0 0 21 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 10.9 9.9 12.6 15.8 149 1666 B F H > + 0 0 11 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.958 360.0 35.8 -58.2 -54.4 8.1 10.8 12.9 150 1667 B Y H > S+ 0 0 17 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.880 113.4 58.1 -70.0 -36.7 11.1 10.5 10.7 151 1668 B A H > S+ 0 0 0 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.894 105.4 51.8 -58.8 -39.5 13.5 9.8 13.6 152 1669 B T H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.913 108.6 50.5 -63.5 -42.4 11.3 6.9 14.6 153 1670 B F H X S+ 0 0 4 -4,-1.5 4,-2.8 1,-0.2 -2,-0.2 0.914 107.0 54.3 -61.3 -43.1 11.6 5.5 11.0 154 1671 B L H X S+ 0 0 25 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.881 109.5 47.7 -59.5 -38.0 15.3 5.9 11.1 155 1672 B I H X S+ 0 0 0 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.914 112.4 47.8 -70.0 -41.8 15.4 3.8 14.3 156 1673 B Q H X S+ 0 0 26 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.865 111.8 52.0 -65.4 -34.4 13.1 1.1 12.7 157 1674 B E H X S+ 0 0 52 -4,-2.8 4,-2.1 2,-0.2 -2,-0.2 0.922 107.8 51.2 -66.3 -44.5 15.4 1.2 9.6 158 1675 B Y H X S+ 0 0 19 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.914 109.0 50.9 -58.0 -45.3 18.4 0.7 11.8 159 1676 B F H X S+ 0 0 16 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.898 106.8 53.7 -61.8 -41.3 16.8 -2.3 13.5 160 1677 B R H X S+ 0 0 43 -4,-2.0 4,-1.1 1,-0.2 -1,-0.2 0.916 111.0 47.6 -58.8 -41.6 15.9 -3.8 10.1 161 1678 B K H >< S+ 0 0 61 -4,-2.1 3,-0.6 2,-0.2 -2,-0.2 0.931 108.9 53.1 -64.1 -47.5 19.6 -3.5 9.2 162 1679 B F H 3< S+ 0 0 48 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.911 107.6 51.6 -54.0 -46.0 20.7 -5.0 12.5 163 1680 B K H 3< S+ 0 0 122 -4,-2.5 -1,-0.3 -5,-0.1 -2,-0.2 0.786 106.8 64.6 -62.8 -28.6 18.5 -8.1 11.8 164 1681 B K << 0 0 102 -4,-1.1 -3,-0.1 -3,-0.6 -2,-0.1 0.709 360.0 360.0 -64.4-126.0 20.0 -8.4 8.4 165 1682 B R 0 0 253 -4,-0.1 -1,-0.2 0, 0.0 -2,-0.0 -0.247 360.0 360.0 -48.9 360.0 23.7 -9.3 8.1