==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-MAR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CALCIUM-BINDING PROTEIN 01-FEB-12 4DJC . COMPND 2 MOLECULE: CALMODULIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.F.SARHAN,C.-C.TUNG,F VAN PETEGEM,C.A.AHERN . 164 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10094.0 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 . 8 4.9 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 . 88 53.7 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 1 0 2 3 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 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 -1 A N > 0 0 108 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -1.1 6.0 -0.8 -0.9 2 0 A A T 4 + 0 0 79 2,-0.2 4,-0.4 1,-0.2 0, 0.0 0.909 360.0 46.2 -57.5 -44.7 3.2 1.3 0.7 3 1 A M T >4 S+ 0 0 36 1,-0.2 3,-1.6 2,-0.2 4,-0.3 0.965 116.1 43.9 -58.8 -54.1 5.1 1.4 4.1 4 2 A A G >4 S+ 0 0 14 1,-0.3 3,-1.4 2,-0.2 -2,-0.2 0.802 103.7 65.8 -64.9 -28.7 8.4 2.2 2.4 5 3 A D G 3< S+ 0 0 84 -4,-2.6 -1,-0.3 1,-0.2 -2,-0.2 0.662 93.3 63.3 -69.7 -12.9 6.7 4.8 0.1 6 4 A Q G < S+ 0 0 165 -3,-1.6 -1,-0.2 -4,-0.4 -2,-0.2 0.613 83.7 101.6 -83.0 -10.7 6.0 6.8 3.4 7 5 A L S < S- 0 0 20 -3,-1.4 2,-0.1 -4,-0.3 69,-0.0 -0.422 71.8-121.8 -78.1 147.8 9.8 7.3 4.1 8 6 A T > - 0 0 47 -2,-0.1 4,-2.5 1,-0.1 5,-0.2 -0.388 26.3-110.3 -77.6 159.5 11.7 10.6 3.3 9 7 A E H > S+ 0 0 85 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.914 122.0 53.6 -55.3 -40.6 14.7 10.8 1.0 10 8 A E H > S+ 0 0 80 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.869 108.9 46.6 -60.4 -40.2 16.8 11.5 4.2 11 9 A Q H > S+ 0 0 73 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.901 110.2 54.1 -70.5 -41.1 15.4 8.4 6.0 12 10 A I H X S+ 0 0 49 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.904 108.0 49.9 -59.0 -43.1 16.1 6.3 2.9 13 11 A A H X S+ 0 0 63 -4,-2.3 4,-1.7 2,-0.2 -2,-0.2 0.928 110.6 49.3 -63.0 -41.2 19.7 7.5 2.9 14 12 A E H X S+ 0 0 59 -4,-1.9 4,-1.9 1,-0.2 -1,-0.2 0.922 112.5 48.8 -60.2 -47.3 20.2 6.5 6.6 15 13 A F H X S+ 0 0 24 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.848 103.7 59.1 -67.1 -30.9 18.7 3.2 5.9 16 14 A K H X S+ 0 0 123 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.898 106.6 49.2 -61.9 -38.9 21.0 2.6 2.9 17 15 A E H X S+ 0 0 57 -4,-1.7 4,-0.9 2,-0.2 -2,-0.2 0.913 111.0 49.1 -65.0 -43.4 23.9 3.0 5.3 18 16 A A H >X S+ 0 0 30 -4,-1.9 3,-0.8 1,-0.2 4,-0.7 0.908 108.8 53.7 -61.7 -41.5 22.3 0.5 7.7 19 17 A F H >X S+ 0 0 10 -4,-2.7 4,-2.9 1,-0.2 3,-1.4 0.904 101.7 59.8 -60.2 -39.8 21.7 -1.9 4.8 20 18 A S H 3< S+ 0 0 60 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.765 93.7 63.8 -63.2 -24.8 25.4 -1.7 3.9 21 19 A L H << S+ 0 0 120 -4,-0.9 -1,-0.3 -3,-0.8 3,-0.2 0.791 114.5 33.1 -70.2 -26.7 26.4 -3.0 7.3 22 20 A F H << S+ 0 0 54 -3,-1.4 2,-2.0 -4,-0.7 -2,-0.2 0.867 114.0 59.3 -88.5 -49.1 24.7 -6.3 6.4 23 21 A D >< + 0 0 11 -4,-2.9 3,-1.4 1,-0.2 -1,-0.2 -0.533 65.7 163.8 -78.9 68.3 25.4 -6.3 2.7 24 22 A K T 3 S+ 0 0 135 -2,-2.0 -1,-0.2 1,-0.3 6,-0.1 0.764 70.5 53.6 -70.6 -22.0 29.2 -6.2 3.1 25 23 A D T 3 S- 0 0 105 4,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.479 103.1-131.9 -86.0 -3.0 29.9 -7.3 -0.4 26 24 A G < + 0 0 60 -3,-1.4 -2,-0.1 -6,-0.2 -6,-0.1 0.696 64.8 132.0 67.5 20.3 27.8 -4.4 -1.8 27 25 A D S S- 0 0 90 2,-0.3 -1,-0.1 1,-0.0 3,-0.1 0.346 78.2-106.0 -87.9 4.1 25.9 -6.6 -4.2 28 26 A G S S+ 0 0 34 -5,-0.2 40,-0.6 1,-0.2 2,-0.3 0.460 89.1 84.1 90.9 4.6 22.5 -5.3 -3.3 29 27 A T E -A 67 0A 37 38,-0.2 2,-0.6 39,-0.1 -2,-0.3 -0.988 64.8-138.9-142.8 140.8 21.3 -8.3 -1.3 30 28 A I E -A 66 0A 2 36,-2.5 36,-2.3 -2,-0.3 2,-0.2 -0.939 28.5-165.7 -98.4 122.2 21.6 -9.6 2.2 31 29 A T > - 0 0 38 -2,-0.6 4,-2.5 34,-0.2 5,-0.2 -0.542 36.3-106.2-100.2 168.5 22.1 -13.4 2.3 32 30 A T H > S+ 0 0 44 32,-0.3 4,-2.5 1,-0.2 5,-0.2 0.879 122.0 55.6 -59.1 -37.7 21.9 -15.8 5.1 33 31 A K H > S+ 0 0 172 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.931 109.2 46.3 -60.3 -48.1 25.7 -16.0 5.1 34 32 A E H > S+ 0 0 21 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.901 111.7 50.6 -61.3 -42.7 25.9 -12.2 5.6 35 33 A L H X S+ 0 0 12 -4,-2.5 4,-2.8 1,-0.2 -1,-0.2 0.894 107.5 53.9 -61.8 -40.4 23.3 -12.2 8.3 36 34 A G H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 5,-0.2 0.904 105.4 53.6 -59.4 -41.8 25.2 -15.0 10.1 37 35 A T H X S+ 0 0 51 -4,-2.0 4,-1.6 1,-0.2 -1,-0.2 0.922 112.0 45.3 -59.7 -47.3 28.4 -12.9 10.1 38 36 A V H X S+ 0 0 18 -4,-2.0 4,-0.9 2,-0.2 -2,-0.2 0.935 111.9 51.3 -61.0 -47.5 26.5 -10.0 11.7 39 37 A M H ><>S+ 0 0 32 -4,-2.8 5,-2.1 1,-0.2 3,-0.8 0.906 108.2 51.9 -63.2 -36.9 24.8 -12.2 14.3 40 38 A R H ><5S+ 0 0 136 -4,-2.7 3,-1.6 1,-0.3 -1,-0.2 0.856 104.6 56.5 -66.0 -30.5 28.1 -13.7 15.3 41 39 A S H 3<5S+ 0 0 86 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.696 102.5 56.5 -71.4 -20.1 29.5 -10.2 15.8 42 40 A L T <<5S- 0 0 118 -4,-0.9 -1,-0.3 -3,-0.8 -2,-0.2 0.295 126.4-104.0 -87.0 4.7 26.6 -9.7 18.2 43 41 A G T < 5S+ 0 0 58 -3,-1.6 2,-0.2 1,-0.3 -3,-0.2 0.618 80.7 129.9 81.1 16.6 27.8 -12.7 20.2 44 42 A Q < - 0 0 112 -5,-2.1 -1,-0.3 -6,-0.2 -2,-0.1 -0.631 47.7-155.7 -97.6 160.9 25.1 -15.0 18.9 45 43 A N + 0 0 139 -2,-0.2 -5,-0.1 -3,-0.1 -9,-0.0 -0.522 25.7 177.2-134.0 68.5 25.5 -18.5 17.4 46 44 A P - 0 0 30 0, 0.0 2,-0.2 0, 0.0 -6,-0.0 -0.225 25.3-123.2 -70.5 158.3 22.5 -19.1 15.2 47 45 A T > - 0 0 78 1,-0.1 4,-2.2 0, 0.0 5,-0.2 -0.531 29.9-104.6 -87.5 162.9 21.9 -22.1 13.1 48 46 A E H > S+ 0 0 139 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.903 122.6 50.6 -51.5 -44.5 21.4 -21.9 9.4 49 47 A A H > S+ 0 0 62 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.840 107.6 53.9 -71.4 -30.3 17.7 -22.6 9.8 50 48 A E H > S+ 0 0 107 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.882 109.7 47.7 -63.9 -42.6 17.5 -19.8 12.4 51 49 A L H X S+ 0 0 14 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.887 110.4 51.5 -63.2 -45.8 19.1 -17.4 9.9 52 50 A Q H X S+ 0 0 91 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.874 108.9 52.2 -55.8 -43.2 16.7 -18.5 7.2 53 51 A D H X S+ 0 0 92 -4,-2.1 4,-1.5 2,-0.2 -2,-0.2 0.918 108.7 48.9 -58.6 -46.2 13.8 -17.9 9.6 54 52 A M H X S+ 0 0 74 -4,-2.2 4,-0.6 2,-0.2 3,-0.2 0.904 114.0 46.9 -60.6 -43.6 15.0 -14.4 10.3 55 53 A I H >X S+ 0 0 3 -4,-2.4 3,-1.7 1,-0.2 4,-1.4 0.941 107.7 58.0 -60.4 -44.8 15.3 -13.7 6.5 56 54 A N H 3< S+ 0 0 98 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.816 96.7 60.9 -60.2 -32.4 11.9 -15.2 6.0 57 55 A E H 3< S+ 0 0 146 -4,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.735 118.9 28.4 -65.4 -26.5 10.2 -12.7 8.3 58 56 A V H << S+ 0 0 32 -3,-1.7 2,-1.9 -4,-0.6 -1,-0.2 0.419 94.0 102.8-106.4 -16.2 11.4 -9.8 6.0 59 57 A D >< + 0 0 14 -4,-1.4 3,-1.6 1,-0.2 5,-0.1 -0.492 41.1 171.6 -87.6 79.6 11.6 -11.7 2.6 60 58 A A T 3 S+ 0 0 95 -2,-1.9 -1,-0.2 1,-0.3 6,-0.1 0.761 76.8 43.9 -61.9 -32.5 8.4 -10.5 1.0 61 59 A D T 3 S- 0 0 89 4,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.455 102.6-128.0 -93.3 2.9 9.1 -12.1 -2.4 62 60 A G < + 0 0 56 -3,-1.6 -2,-0.1 -6,-0.1 -6,-0.1 0.682 67.9 129.3 66.7 14.0 10.3 -15.4 -1.0 63 61 A N S S- 0 0 95 2,-0.3 -1,-0.1 1,-0.0 3,-0.1 0.491 76.3-113.4 -85.2 0.6 13.6 -15.4 -2.9 64 62 A G S S+ 0 0 32 1,-0.2 -32,-0.3 -5,-0.1 2,-0.3 0.415 86.9 76.9 92.8 -6.3 15.7 -16.2 0.1 65 63 A T S S- 0 0 32 -34,-0.1 2,-0.6 -10,-0.1 -2,-0.3 -0.917 76.7-117.6-130.1 163.3 17.6 -12.9 0.3 66 64 A I E -A 30 0A 12 -36,-2.3 -36,-2.5 -2,-0.3 2,-0.1 -0.910 28.6-166.4-103.9 116.5 16.8 -9.4 1.5 67 65 A D E > -A 29 0A 45 -2,-0.6 4,-2.3 -38,-0.2 5,-0.2 -0.426 38.9 -96.7 -90.9 173.1 16.9 -6.6 -1.1 68 66 A F H > S+ 0 0 39 -40,-0.6 4,-2.9 1,-0.2 5,-0.2 0.922 122.4 54.0 -61.7 -43.4 16.9 -2.9 -0.3 69 67 A P H > S+ 0 0 80 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.922 110.8 47.4 -56.6 -40.4 13.1 -2.5 -0.8 70 68 A E H > S+ 0 0 13 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.902 111.2 51.7 -66.0 -40.2 12.4 -5.3 1.6 71 69 A F H X S+ 0 0 5 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.904 107.7 52.3 -59.5 -43.4 14.9 -3.7 4.1 72 70 A L H X S+ 0 0 17 -4,-2.9 4,-2.7 2,-0.2 -2,-0.2 0.902 106.8 52.2 -64.4 -37.2 13.1 -0.4 3.8 73 71 A T H X S+ 0 0 60 -4,-2.0 4,-2.2 -5,-0.2 -2,-0.2 0.952 110.6 48.7 -61.2 -40.8 9.8 -2.0 4.6 74 72 A M H X S+ 0 0 46 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.918 113.2 46.3 -64.9 -45.9 11.2 -3.6 7.7 75 73 A M H X S+ 0 0 38 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.878 110.1 53.7 -69.6 -36.3 12.8 -0.3 8.8 76 74 A A H X S+ 0 0 11 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.897 108.4 50.8 -62.4 -37.7 9.5 1.6 8.1 77 75 A R H X S+ 0 0 50 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.900 110.1 49.3 -66.6 -39.9 7.7 -0.9 10.3 78 76 A K H X S+ 0 0 114 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.876 110.1 51.0 -66.4 -38.1 10.2 -0.3 13.1 79 77 A M H X S+ 0 0 46 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.904 108.6 51.7 -65.2 -40.3 9.8 3.5 12.7 80 78 A K H X S+ 0 0 50 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.916 110.1 49.1 -65.5 -39.0 6.0 3.1 13.0 81 79 A D H X S+ 0 0 98 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.910 110.6 50.2 -66.1 -41.5 6.4 1.0 16.2 82 80 A T H X S+ 0 0 80 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.922 110.8 50.3 -62.5 -42.2 8.8 3.7 17.6 83 81 A D H X S+ 0 0 99 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.911 109.6 50.5 -62.6 -39.2 6.2 6.3 16.8 84 82 A S H X S+ 0 0 62 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.906 108.8 51.3 -65.5 -42.4 3.4 4.4 18.5 85 83 A E H X S+ 0 0 103 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.890 110.9 49.5 -61.5 -38.1 5.6 3.9 21.6 86 84 A E H X S+ 0 0 76 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.916 108.7 51.4 -69.0 -43.6 6.1 7.7 21.7 87 85 A E H X S+ 0 0 69 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.905 109.3 52.0 -58.9 -39.9 2.4 8.4 21.3 88 86 A I H X S+ 0 0 25 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.928 111.1 45.7 -66.2 -44.3 1.6 6.1 24.2 89 87 A R H X S+ 0 0 94 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.877 112.9 50.3 -65.5 -38.6 4.1 7.8 26.6 90 88 A E H X S+ 0 0 104 -4,-2.4 4,-1.2 2,-0.2 -2,-0.2 0.901 111.8 48.1 -66.8 -37.1 3.0 11.3 25.6 91 89 A A H X S+ 0 0 3 -4,-2.3 4,-2.9 -5,-0.2 3,-0.5 0.923 108.8 54.4 -67.9 -40.7 -0.6 10.3 26.2 92 90 A F H X S+ 0 0 16 -4,-2.5 4,-3.0 1,-0.3 -1,-0.2 0.925 104.1 55.0 -55.7 -45.0 0.3 8.8 29.6 93 91 A R H < S+ 0 0 193 -4,-2.0 -1,-0.3 1,-0.2 6,-0.2 0.821 112.7 43.0 -60.3 -36.7 1.9 12.1 30.6 94 92 A V H < S+ 0 0 67 -4,-1.2 -2,-0.2 -3,-0.5 -1,-0.2 0.903 113.9 48.3 -74.0 -44.4 -1.4 13.9 29.8 95 93 A F H < S+ 0 0 0 -4,-2.9 2,-1.9 1,-0.2 9,-0.2 0.887 102.1 66.4 -64.4 -38.1 -3.7 11.3 31.4 96 94 A D S >< S- 0 0 8 -4,-3.0 3,-1.8 -5,-0.3 -1,-0.2 -0.585 77.6-176.2 -78.8 80.0 -1.5 11.3 34.5 97 95 A K T 3 S+ 0 0 127 -2,-1.9 -1,-0.2 1,-0.3 6,-0.1 0.855 73.7 40.0 -58.3 -42.6 -2.5 14.8 35.2 98 96 A D T 3 S- 0 0 104 4,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.465 104.7-123.6 -88.6 0.3 -0.3 15.5 38.2 99 97 A G S < S+ 0 0 56 -3,-1.8 -2,-0.1 -6,-0.2 4,-0.1 0.579 70.0 131.0 78.3 9.3 2.7 13.6 36.8 100 98 A N S S- 0 0 85 2,-0.3 -1,-0.1 1,-0.1 3,-0.1 0.434 80.6-103.1 -82.2 0.0 3.0 11.2 39.8 101 99 A G S S+ 0 0 27 -5,-0.1 40,-0.6 1,-0.1 2,-0.4 0.355 93.6 85.5 97.4 3.4 3.2 8.1 37.7 102 100 A Y E -B 140 0B 83 38,-0.2 2,-0.6 39,-0.1 -2,-0.3 -0.997 67.1-139.3-137.1 133.2 -0.4 6.9 38.2 103 101 A I E -B 139 0B 0 36,-3.1 36,-2.1 -2,-0.4 2,-0.2 -0.786 26.8-161.9 -86.3 116.9 -3.6 7.7 36.4 104 102 A S > - 0 0 34 -2,-0.6 4,-2.7 -9,-0.2 5,-0.2 -0.534 31.1-109.0 -91.4 166.5 -6.3 8.1 38.9 105 103 A A H > S+ 0 0 33 32,-0.4 4,-2.6 1,-0.2 5,-0.2 0.923 120.3 51.8 -57.8 -45.5 -10.1 8.0 38.2 106 104 A A H > S+ 0 0 74 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.882 110.3 48.8 -58.9 -42.3 -10.4 11.7 38.9 107 105 A E H > S+ 0 0 19 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.933 110.7 49.7 -64.1 -45.6 -7.5 12.4 36.5 108 106 A L H X S+ 0 0 0 -4,-2.7 4,-2.7 1,-0.2 5,-0.3 0.906 110.3 51.7 -60.4 -40.3 -9.1 10.3 33.8 109 107 A R H X S+ 0 0 53 -4,-2.6 4,-2.2 -5,-0.2 -1,-0.2 0.917 110.8 48.3 -59.1 -47.1 -12.4 12.0 34.3 110 108 A H H X S+ 0 0 75 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.927 114.8 43.2 -59.5 -49.0 -10.8 15.4 33.9 111 109 A V H X S+ 0 0 10 -4,-2.6 4,-1.9 2,-0.2 6,-0.2 0.934 112.6 51.9 -66.0 -46.8 -8.8 14.6 30.8 112 110 A M H <>S+ 0 0 0 -4,-2.7 5,-2.5 1,-0.2 3,-0.2 0.937 113.1 45.4 -52.8 -49.0 -11.7 12.8 29.1 113 111 A T H ><5S+ 0 0 74 -4,-2.2 3,-1.8 -5,-0.3 -1,-0.2 0.911 110.0 53.3 -65.9 -41.9 -14.0 15.7 29.7 114 112 A N H 3<5S+ 0 0 113 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.814 106.9 54.3 -66.0 -25.8 -11.4 18.3 28.6 115 113 A L T 3<5S- 0 0 36 -4,-1.9 -1,-0.3 -3,-0.2 -2,-0.2 0.402 122.3-108.2 -83.9 -0.2 -11.0 16.4 25.3 116 114 A G T < 5 + 0 0 40 -3,-1.8 -3,-0.2 1,-0.3 2,-0.2 0.556 67.3 150.6 84.9 11.9 -14.7 16.5 24.7 117 115 A E < - 0 0 33 -5,-2.5 -1,-0.3 -6,-0.2 -2,-0.1 -0.496 37.8-154.0 -75.5 140.4 -15.4 12.9 25.4 118 116 A K + 0 0 191 -2,-0.2 -1,-0.1 -3,-0.1 -5,-0.1 0.170 37.0 151.7-104.4 18.2 -18.9 12.3 26.8 119 117 A L - 0 0 22 1,-0.1 2,-0.1 -7,-0.1 -2,-0.0 -0.164 45.2-121.9 -44.5 135.3 -18.0 9.1 28.7 120 118 A T > - 0 0 80 1,-0.1 4,-2.0 4,-0.0 5,-0.2 -0.307 25.9-103.0 -74.7 169.8 -20.2 8.6 31.7 121 119 A D H > S+ 0 0 102 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.906 123.5 53.2 -61.4 -40.8 -18.7 8.3 35.2 122 120 A E H > S+ 0 0 95 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.876 106.4 53.6 -59.6 -39.8 -19.2 4.6 35.2 123 121 A E H > S+ 0 0 59 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.898 108.3 49.4 -63.4 -40.0 -17.3 4.3 31.9 124 122 A V H X S+ 0 0 2 -4,-2.0 4,-1.6 1,-0.2 -2,-0.2 0.953 111.5 48.8 -62.6 -45.3 -14.4 6.2 33.4 125 123 A D H X S+ 0 0 59 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.880 109.4 53.0 -58.7 -45.1 -14.3 3.9 36.4 126 124 A E H X S+ 0 0 69 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.863 104.7 55.1 -56.6 -43.8 -14.5 0.9 34.2 127 125 A M H X S+ 0 0 1 -4,-1.9 4,-1.2 2,-0.2 -1,-0.2 0.840 110.8 45.4 -59.2 -41.2 -11.5 2.2 32.2 128 126 A I H X S+ 0 0 8 -4,-1.6 4,-1.7 2,-0.2 -2,-0.2 0.940 113.6 49.1 -67.2 -47.6 -9.4 2.4 35.4 129 127 A R H < S+ 0 0 139 -4,-2.7 -2,-0.2 1,-0.2 3,-0.2 0.904 109.6 50.6 -62.3 -39.6 -10.6 -1.0 36.6 130 128 A E H < S+ 0 0 114 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.887 115.9 41.8 -66.5 -35.7 -9.9 -2.8 33.4 131 129 A A H < S+ 0 0 3 -4,-1.2 2,-2.0 -5,-0.2 -1,-0.2 0.652 90.0 96.2 -82.6 -20.0 -6.3 -1.4 33.2 132 130 A D >< + 0 0 26 -4,-1.7 3,-0.9 1,-0.2 5,-0.2 -0.444 41.2 162.7 -81.1 77.0 -5.5 -1.8 36.9 133 131 A I T 3 S+ 0 0 106 -2,-2.0 -1,-0.2 1,-0.2 6,-0.1 0.847 72.9 48.1 -60.7 -43.6 -3.7 -5.1 36.9 134 132 A D T 3 S- 0 0 91 4,-0.2 -1,-0.2 -3,-0.2 -2,-0.1 0.562 104.4-125.2 -83.2 -5.5 -2.1 -4.7 40.3 135 133 A G S < S+ 0 0 59 -3,-0.9 -2,-0.1 3,-0.2 -3,-0.1 0.634 70.2 127.0 75.2 18.0 -5.2 -3.7 42.1 136 134 A D S S- 0 0 63 2,-0.3 3,-0.1 1,-0.0 -1,-0.1 0.401 80.7-109.5 -88.3 4.7 -4.1 -0.4 43.6 137 135 A G S S+ 0 0 49 1,-0.3 -32,-0.4 -5,-0.2 2,-0.2 0.460 90.2 71.7 87.8 2.7 -7.0 1.6 42.1 138 136 A Q S S- 0 0 55 -34,-0.1 2,-0.6 -10,-0.1 -2,-0.3 -0.840 79.6-109.0-146.2 172.0 -4.9 3.5 39.6 139 137 A V E -B 103 0B 0 -36,-2.1 -36,-3.1 -2,-0.2 -7,-0.1 -0.951 27.3-164.0-117.5 108.3 -3.0 2.9 36.3 140 138 A N E > -B 102 0B 39 -2,-0.6 4,-2.4 -38,-0.3 -38,-0.2 -0.279 39.1 -94.5 -78.2 176.1 0.7 3.0 36.2 141 139 A Y H > S+ 0 0 65 -40,-0.6 4,-2.8 2,-0.2 5,-0.2 0.924 123.8 47.8 -63.2 -46.9 2.8 3.3 33.1 142 140 A E H > S+ 0 0 113 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.894 111.8 51.6 -66.7 -34.6 3.3 -0.4 32.5 143 141 A E H > S+ 0 0 6 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.911 111.0 48.8 -62.7 -40.9 -0.4 -1.0 33.0 144 142 A F H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.926 109.4 51.2 -63.8 -45.0 -1.1 1.7 30.5 145 143 A V H X S+ 0 0 32 -4,-2.8 4,-0.6 2,-0.2 -1,-0.2 0.921 111.4 48.6 -58.6 -44.8 1.3 0.2 28.0 146 144 A Q H >< S+ 0 0 117 -4,-2.3 3,-1.0 1,-0.2 -1,-0.2 0.928 110.2 51.1 -62.8 -41.6 -0.4 -3.2 28.4 147 145 A M H 3< S+ 0 0 30 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.896 113.0 46.0 -61.5 -36.3 -3.8 -1.7 28.0 148 146 A M H 3< S+ 0 0 21 -4,-2.3 2,-0.3 -5,-0.1 -1,-0.2 0.430 85.9 110.9 -87.3 -4.3 -2.7 0.0 24.7 149 147 A T S << S- 0 0 73 -3,-1.0 6,-0.0 -4,-0.6 2,-0.0 -0.622 84.4 -97.8 -73.0 130.5 -0.9 -3.0 23.3 150 148 A A 0 0 93 -2,-0.3 -1,-0.1 5,-0.0 -2,-0.1 -0.324 360.0 360.0 -59.1 139.6 -2.8 -4.4 20.2 151 149 A K 0 0 140 -4,-0.1 -2,-0.1 -3,-0.0 0, 0.0 0.135 360.0 360.0 0.1 360.0 -5.1 -7.3 21.2 152 !* 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 0.0 153 1489 B N > 0 0 118 0, 0.0 4,-1.4 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 178.3 -13.9 -1.9 25.2 154 1490 B A H > + 0 0 1 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.909 360.0 57.9 -60.5 -38.6 -11.7 0.2 27.5 155 1491 B Q H > S+ 0 0 57 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.907 103.9 50.8 -58.7 -44.7 -8.8 0.0 25.0 156 1492 B K H > S+ 0 0 132 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.881 109.9 50.8 -60.1 -39.9 -11.0 1.7 22.3 157 1493 B K H X S+ 0 0 43 -4,-1.4 4,-1.8 2,-0.2 -2,-0.2 0.932 111.6 46.4 -65.5 -44.9 -12.0 4.5 24.7 158 1494 B Y H X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.925 114.5 49.2 -60.5 -43.9 -8.4 5.2 25.6 159 1495 B Y H X S+ 0 0 114 -4,-2.7 4,-2.2 -5,-0.2 -2,-0.2 0.901 107.5 52.9 -62.1 -41.8 -7.5 5.1 21.9 160 1496 B N H X S+ 0 0 70 -4,-2.8 4,-1.3 1,-0.2 -1,-0.2 0.876 111.2 48.6 -63.7 -36.0 -10.2 7.4 20.9 161 1497 B A H X S+ 0 0 0 -4,-1.8 4,-1.4 2,-0.2 -1,-0.2 0.904 107.3 54.1 -70.8 -41.0 -9.0 9.9 23.5 162 1498 B M H < S+ 0 0 9 -4,-2.2 3,-0.3 1,-0.2 -2,-0.2 0.909 105.2 54.5 -60.2 -38.7 -5.4 9.6 22.3 163 1499 B K H < S+ 0 0 101 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.847 104.0 55.0 -65.8 -31.0 -6.5 10.4 18.8 164 1500 B K H < 0 0 104 -4,-1.3 -1,-0.2 -5,-0.2 -2,-0.2 0.843 360.0 360.0 -64.9 -32.8 -8.1 13.6 20.2 165 1501 B L < 0 0 94 -4,-1.4 -74,-0.1 -3,-0.3 -50,-0.0 -0.433 360.0 360.0 -66.2 360.0 -4.7 14.5 21.8