==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL TRANSPORT 05-SEP-07 2VAY . COMPND 2 MOLECULE: CALMODULIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR D.B.HALLING,D.J.BLACK,S.E.PEDERSEN,S.L.HAMILTON . 167 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8882.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 117 70.1 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 3.6 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 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 88 52.7 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 1 0 0 0 0 1 2 3 0 1 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 . 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 0 173 0, 0.0 70,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 155.1 11.2 6.8 -5.8 2 4 A L - 0 0 58 4,-0.1 2,-0.3 1,-0.0 3,-0.0 -0.044 360.0-174.8 -51.6 143.9 8.2 5.1 -4.0 3 5 A T > - 0 0 61 1,-0.1 4,-2.0 0, 0.0 5,-0.2 -0.930 40.1-103.8-138.2 160.3 7.5 1.3 -4.1 4 6 A E H > S+ 0 0 178 -2,-0.3 4,-1.0 1,-0.2 -1,-0.1 0.854 121.1 46.3 -52.0 -40.7 4.8 -1.0 -2.8 5 7 A E H >> S+ 0 0 124 2,-0.2 4,-1.9 1,-0.2 3,-0.8 0.942 108.7 53.2 -69.2 -49.4 7.0 -2.2 0.0 6 8 A Q H 3> S+ 0 0 49 1,-0.3 4,-1.3 2,-0.2 -1,-0.2 0.809 105.7 56.4 -54.1 -34.5 8.3 1.2 1.1 7 9 A I H 3X S+ 0 0 65 -4,-2.0 4,-1.9 1,-0.2 -1,-0.3 0.838 106.0 49.6 -67.7 -35.3 4.7 2.3 1.4 8 10 A A H X S+ 0 0 84 -4,-1.4 4,-1.2 2,-0.2 3,-0.6 0.995 107.7 42.9 -60.4 -64.0 4.2 0.8 9.7 13 15 A A H 3X S+ 0 0 0 -4,-1.7 4,-1.0 1,-0.3 3,-0.3 0.829 112.6 54.3 -50.1 -40.6 5.5 4.0 11.1 14 16 A F H 3X S+ 0 0 1 -4,-2.4 4,-2.6 1,-0.2 3,-0.3 0.875 103.1 56.2 -65.6 -37.7 2.1 5.7 10.8 15 17 A S H << S+ 0 0 67 -4,-2.0 -1,-0.2 -3,-0.6 -2,-0.2 0.811 96.2 64.5 -65.9 -31.0 0.4 3.0 12.8 16 18 A L H < S+ 0 0 17 -4,-1.2 -1,-0.2 -3,-0.3 -2,-0.2 0.937 114.1 33.5 -56.6 -45.4 2.8 3.5 15.8 17 19 A F H < S+ 0 0 0 -4,-1.0 2,-2.2 -3,-0.3 -2,-0.2 0.895 106.7 68.0 -78.1 -44.2 1.3 7.0 16.1 18 20 A D >< + 0 0 14 -4,-2.6 3,-1.7 1,-0.2 -1,-0.2 -0.475 63.8 170.0 -80.3 71.2 -2.3 6.4 15.1 19 21 A K T 3 S+ 0 0 122 -2,-2.2 -1,-0.2 1,-0.3 6,-0.1 0.830 73.1 43.5 -51.5 -44.4 -3.1 4.2 18.1 20 22 A D T 3 S- 0 0 107 4,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.298 102.7-129.5 -90.1 11.4 -6.9 4.0 17.6 21 23 A G < + 0 0 56 -3,-1.7 -2,-0.1 -6,-0.2 4,-0.1 0.735 61.9 140.9 48.8 29.9 -6.5 3.4 13.9 22 24 A D S S- 0 0 85 2,-0.3 -1,-0.2 1,-0.1 3,-0.1 0.445 76.0-108.2 -79.7 4.5 -9.0 6.1 13.0 23 25 A G S S+ 0 0 31 1,-0.2 40,-0.6 -5,-0.2 2,-0.3 0.541 90.0 86.0 83.6 6.5 -6.7 6.9 10.1 24 26 A T E -A 62 0A 29 38,-0.2 2,-0.6 39,-0.1 -2,-0.3 -0.989 68.7-134.7-140.2 149.8 -5.4 10.2 11.6 25 27 A I E -A 61 0A 0 36,-2.8 36,-2.0 -2,-0.3 2,-0.2 -0.930 30.0-162.6-104.4 120.7 -2.7 11.2 14.0 26 28 A T > - 0 0 36 -2,-0.6 4,-2.5 -9,-0.2 5,-0.2 -0.492 33.3-107.8 -96.9 168.9 -3.9 13.7 16.6 27 29 A T H > S+ 0 0 36 32,-0.3 4,-1.9 1,-0.2 5,-0.2 0.912 121.5 51.2 -60.0 -44.2 -2.1 16.0 18.9 28 30 A K H > S+ 0 0 169 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.937 109.4 49.9 -62.3 -46.4 -3.0 13.8 21.8 29 31 A E H > S+ 0 0 16 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.918 108.4 51.9 -60.6 -42.8 -1.7 10.7 20.0 30 32 A L H X S+ 0 0 0 -4,-2.5 4,-2.9 1,-0.2 -1,-0.2 0.897 107.8 53.9 -61.3 -38.8 1.6 12.4 19.1 31 33 A G H X S+ 0 0 0 -4,-1.9 4,-2.7 1,-0.2 5,-0.2 0.908 105.8 52.4 -62.6 -41.7 2.1 13.4 22.8 32 34 A T H X S+ 0 0 65 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.948 113.0 43.4 -62.3 -43.7 1.6 9.8 23.9 33 35 A V H X S+ 0 0 0 -4,-2.0 4,-0.9 1,-0.2 -2,-0.2 0.940 112.9 51.7 -68.0 -43.7 4.3 8.5 21.6 34 36 A M H ><>S+ 0 0 1 -4,-2.9 5,-2.3 1,-0.2 3,-0.9 0.915 110.3 48.9 -59.9 -41.9 6.7 11.3 22.3 35 37 A R H ><5S+ 0 0 118 -4,-2.7 3,-1.6 1,-0.3 -1,-0.2 0.854 105.6 57.0 -67.5 -31.6 6.4 10.7 26.0 36 38 A S H 3<5S+ 0 0 30 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.707 105.7 54.1 -70.0 -15.3 7.0 7.0 25.5 37 39 A L T <<5S- 0 0 1 -4,-0.9 -1,-0.3 -3,-0.9 -2,-0.2 0.319 127.7 -99.6 -97.3 5.1 10.2 8.1 23.8 38 40 A G T < 5S+ 0 0 48 -3,-1.6 2,-0.3 1,-0.3 -3,-0.2 0.641 84.3 122.1 87.8 15.0 11.3 10.1 26.8 39 41 A Q < - 0 0 48 -5,-2.3 -1,-0.3 -6,-0.2 -2,-0.1 -0.742 46.0-159.3-106.7 159.0 10.3 13.5 25.6 40 42 A N + 0 0 137 -2,-0.3 2,-0.1 -3,-0.1 -9,-0.1 -0.455 19.3 179.0-135.3 66.6 7.8 15.9 27.3 41 43 A P - 0 0 13 0, 0.0 2,-0.1 0, 0.0 -6,-0.1 -0.355 26.7-123.2 -69.3 145.6 6.6 18.4 24.6 42 44 A T > - 0 0 76 1,-0.1 4,-2.2 -2,-0.1 5,-0.2 -0.348 32.1-102.2 -78.8 169.6 4.0 21.0 25.6 43 45 A E H > S+ 0 0 101 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.849 124.3 56.7 -62.5 -31.5 0.7 21.1 23.7 44 46 A A H > S+ 0 0 54 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.918 107.7 45.7 -64.9 -45.2 2.1 24.1 21.7 45 47 A E H > S+ 0 0 97 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.867 112.7 51.8 -66.5 -35.7 5.1 22.1 20.5 46 48 A L H X S+ 0 0 0 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.924 108.0 51.2 -66.6 -43.8 2.8 19.2 19.7 47 49 A Q H X S+ 0 0 98 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.900 109.1 51.9 -58.8 -41.3 0.5 21.4 17.6 48 50 A D H X S+ 0 0 97 -4,-2.0 4,-1.5 1,-0.2 -1,-0.2 0.839 108.0 50.1 -66.3 -33.6 3.6 22.7 15.7 49 51 A M H X S+ 0 0 30 -4,-1.5 4,-0.6 2,-0.2 -1,-0.2 0.869 113.1 47.0 -71.8 -37.2 4.8 19.3 14.8 50 52 A I H >X S+ 0 0 0 -4,-2.0 4,-2.2 1,-0.2 3,-1.2 0.932 109.9 53.4 -66.8 -46.6 1.4 18.3 13.6 51 53 A N H 3< S+ 0 0 89 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.809 97.6 65.0 -59.1 -34.1 1.0 21.5 11.6 52 54 A E H 3< S+ 0 0 139 -4,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.804 118.6 25.6 -57.7 -32.3 4.4 20.9 9.8 53 55 A V H << S+ 0 0 10 -3,-1.2 2,-2.1 -4,-0.6 -2,-0.2 0.637 94.6 98.9-107.2 -21.1 2.8 17.9 8.1 54 56 A D >< + 0 0 11 -4,-2.2 3,-1.5 1,-0.2 5,-0.2 -0.469 48.5 176.6 -72.4 78.5 -0.9 18.8 8.2 55 57 A A T 3 S+ 0 0 89 -2,-2.1 -1,-0.2 1,-0.3 6,-0.1 0.759 76.5 41.0 -56.9 -34.1 -1.1 20.0 4.6 56 58 A D T 3 S- 0 0 99 4,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.316 104.9-127.9-100.2 9.3 -4.9 20.7 4.5 57 59 A G < + 0 0 55 -3,-1.5 -2,-0.1 -6,-0.1 4,-0.1 0.733 63.3 137.5 55.9 30.5 -4.9 22.2 8.0 58 60 A N S S- 0 0 93 2,-0.3 -1,-0.1 1,-0.0 3,-0.1 0.348 77.1-106.5 -87.4 12.0 -7.7 20.2 9.5 59 61 A G S S+ 0 0 32 1,-0.2 -32,-0.3 -5,-0.2 2,-0.3 0.339 92.5 70.5 87.8 -9.6 -5.6 19.9 12.7 60 62 A T S S- 0 0 32 -34,-0.1 2,-0.5 -10,-0.1 -2,-0.3 -0.843 76.9-117.5-132.1 170.8 -4.6 16.2 12.3 61 63 A I E -A 25 0A 0 -36,-2.0 -36,-2.8 -2,-0.3 2,-0.2 -0.944 26.7-166.1-112.8 127.3 -2.3 14.2 10.0 62 64 A D E > -A 24 0A 44 -2,-0.5 4,-2.5 -38,-0.2 5,-0.2 -0.506 38.5 -95.2-102.7 178.4 -3.7 11.6 7.7 63 65 A F H > S+ 0 0 41 -40,-0.6 4,-3.3 1,-0.2 5,-0.3 0.922 122.1 53.0 -63.0 -44.4 -1.8 8.9 5.8 64 66 A P H > S+ 0 0 82 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.911 113.2 45.9 -57.6 -39.8 -1.5 10.8 2.5 65 67 A E H > S+ 0 0 15 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.912 113.6 49.0 -66.1 -41.8 -0.0 13.8 4.4 66 68 A F H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 5,-0.2 0.933 112.3 48.5 -62.0 -46.8 2.3 11.5 6.4 67 69 A L H X S+ 0 0 33 -4,-3.3 4,-3.1 2,-0.2 5,-0.3 0.916 107.2 56.0 -59.9 -45.7 3.4 9.7 3.2 68 70 A T H X S+ 0 0 94 -4,-2.2 4,-1.7 -5,-0.3 -1,-0.2 0.953 113.5 39.3 -53.8 -53.7 4.1 13.0 1.4 69 71 A M H X S+ 0 0 8 -4,-1.9 4,-2.5 2,-0.2 5,-0.3 0.920 116.5 49.8 -63.4 -46.5 6.4 14.2 4.1 70 72 A M H X S+ 0 0 0 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.936 111.3 48.0 -61.9 -46.7 8.1 10.9 4.7 71 73 A A H X S+ 0 0 15 -4,-3.1 4,-1.6 -5,-0.2 -1,-0.2 0.864 112.8 50.5 -62.5 -34.7 8.8 10.3 1.0 72 74 A R H X S+ 0 0 137 -4,-1.7 4,-0.6 -5,-0.3 -2,-0.2 0.890 109.9 46.8 -71.4 -43.6 10.2 13.8 0.7 73 75 A K H < S+ 0 0 44 -4,-2.5 3,-0.5 1,-0.2 -1,-0.2 0.847 111.5 55.0 -67.0 -30.9 12.6 13.6 3.7 74 76 A M H < S+ 0 0 45 -4,-2.0 -2,-0.2 -5,-0.3 -1,-0.2 0.891 98.3 58.6 -68.9 -37.1 13.7 10.2 2.3 75 77 A K H < S+ 0 0 138 -4,-1.6 2,-0.6 -5,-0.1 -1,-0.2 0.744 100.3 75.2 -60.6 -20.4 14.5 11.8 -1.1 76 78 A D < + 0 0 67 -4,-0.6 3,-0.2 -3,-0.5 -1,-0.1 -0.842 52.9 168.8 -97.6 118.5 16.8 13.8 1.0 77 79 A T + 0 0 122 -2,-0.6 -1,-0.1 1,-0.1 -3,-0.1 -0.098 67.2 79.8-119.5 32.9 19.9 12.0 2.2 78 80 A D + 0 0 140 1,-0.0 2,-2.2 2,-0.0 3,-0.4 -0.028 57.5 130.8-120.7 20.8 21.7 15.0 3.5 79 81 A S > + 0 0 17 1,-0.2 4,-1.7 -3,-0.2 5,-0.1 -0.378 12.8 148.5 -77.5 61.1 19.5 14.7 6.6 80 82 A E H > S+ 0 0 117 -2,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.905 74.6 53.5 -61.4 -40.0 22.3 15.1 9.2 81 83 A E H > S+ 0 0 81 -3,-0.4 4,-2.1 1,-0.2 -1,-0.2 0.814 101.7 57.1 -65.6 -32.5 19.8 16.7 11.5 82 84 A E H > S+ 0 0 31 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.921 106.7 50.8 -65.6 -38.6 17.3 13.9 11.1 83 85 A I H X S+ 0 0 21 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.868 108.6 50.2 -66.1 -36.3 20.1 11.6 12.4 84 86 A R H X S+ 0 0 67 -4,-1.7 4,-2.8 2,-0.2 -1,-0.2 0.896 108.6 54.1 -68.0 -35.9 20.8 13.8 15.4 85 87 A E H X S+ 0 0 34 -4,-2.1 4,-1.7 2,-0.2 -2,-0.2 0.930 108.8 47.0 -61.6 -45.4 17.1 13.7 16.1 86 88 A A H X S+ 0 0 0 -4,-2.2 4,-1.5 1,-0.2 -1,-0.2 0.908 110.9 53.4 -62.0 -40.2 17.2 9.9 16.1 87 89 A F H X S+ 0 0 17 -4,-2.3 4,-2.8 1,-0.2 3,-0.4 0.944 107.1 51.4 -58.8 -47.1 20.2 10.1 18.4 88 90 A R H < S+ 0 0 102 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.830 104.1 57.1 -59.1 -35.8 18.3 12.3 20.8 89 91 A V H < S+ 0 0 0 -4,-1.7 -1,-0.2 1,-0.2 3,-0.2 0.886 114.0 40.4 -61.1 -40.4 15.4 9.9 21.0 90 92 A F H < S+ 0 0 2 -4,-1.5 2,-2.6 -3,-0.4 -2,-0.2 0.936 102.9 67.4 -74.5 -50.2 17.9 7.2 22.1 91 93 A D >< + 0 0 13 -4,-2.8 3,-2.2 1,-0.2 -1,-0.2 -0.356 61.9 168.2 -74.9 66.4 20.0 9.3 24.5 92 94 A K T 3 S+ 0 0 71 -2,-2.6 -1,-0.2 1,-0.3 6,-0.1 0.739 74.3 46.0 -54.2 -31.9 17.3 9.9 27.1 93 95 A D T 3 S- 0 0 103 4,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.382 103.5-131.8 -94.0 7.0 19.6 11.2 29.8 94 96 A G < + 0 0 59 -3,-2.2 -2,-0.1 -6,-0.2 4,-0.1 0.658 64.6 132.1 55.4 24.1 21.4 13.5 27.3 95 97 A N S S- 0 0 83 2,-0.3 -1,-0.1 1,-0.0 3,-0.1 0.522 79.6-107.1 -83.8 -1.5 24.9 12.5 28.4 96 98 A G S S+ 0 0 29 1,-0.2 40,-0.7 -5,-0.2 2,-0.4 0.573 90.8 94.2 90.3 9.7 26.0 12.0 24.7 97 99 A Y E -B 135 0B 99 38,-0.2 2,-0.7 39,-0.1 -2,-0.3 -0.996 66.0-140.9-137.9 131.4 26.1 8.2 24.9 98 100 A I E -B 134 0B 2 36,-2.6 36,-2.1 -2,-0.4 2,-0.1 -0.824 25.8-156.6 -92.4 116.7 23.5 5.6 24.1 99 101 A S > - 0 0 24 -2,-0.7 4,-2.5 34,-0.2 5,-0.2 -0.457 29.9-108.3 -86.9 164.5 23.6 2.8 26.7 100 102 A A H > S+ 0 0 27 32,-0.3 4,-2.4 1,-0.2 5,-0.2 0.907 122.8 51.6 -59.1 -38.4 22.4 -0.7 26.1 101 103 A A H > S+ 0 0 56 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.895 109.5 48.7 -64.5 -41.3 19.5 0.1 28.4 102 104 A E H > S+ 0 0 17 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.909 112.5 48.6 -64.4 -42.3 18.6 3.3 26.5 103 105 A L H X S+ 0 0 4 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.920 111.4 49.0 -65.4 -44.5 18.7 1.4 23.2 104 106 A R H X S+ 0 0 73 -4,-2.4 4,-2.6 -5,-0.2 5,-0.2 0.921 108.7 53.8 -62.0 -44.2 16.5 -1.4 24.4 105 107 A H H X S+ 0 0 92 -4,-2.2 4,-1.3 1,-0.2 -1,-0.2 0.884 110.3 45.2 -60.1 -42.3 13.9 0.9 25.8 106 108 A V H X S+ 0 0 0 -4,-1.7 4,-3.1 2,-0.2 6,-0.3 0.918 113.0 50.9 -68.9 -41.5 13.4 2.8 22.6 107 109 A M H <>S+ 0 0 1 -4,-2.1 5,-2.5 1,-0.2 -2,-0.2 0.915 108.3 52.0 -63.5 -41.2 13.3 -0.4 20.6 108 110 A T H <5S+ 0 0 90 -4,-2.6 3,-0.4 1,-0.2 -1,-0.2 0.836 117.2 40.2 -64.2 -30.7 10.6 -1.9 22.9 109 111 A N H <5S+ 0 0 57 -4,-1.3 -2,-0.2 -5,-0.2 -1,-0.2 0.816 102.4 66.4 -87.6 -33.3 8.6 1.3 22.4 110 112 A L T <5S- 0 0 1 -4,-3.1 -1,-0.2 -5,-0.1 -2,-0.1 0.195 126.5 -93.6 -76.8 23.4 9.1 1.8 18.8 111 113 A G T 5S+ 0 0 54 -3,-0.4 -3,-0.2 1,-0.2 -2,-0.1 0.678 86.2 134.3 76.6 20.9 7.2 -1.4 18.2 112 114 A E < - 0 0 26 -5,-2.5 2,-0.3 -6,-0.3 -1,-0.2 -0.312 48.9-141.2 -97.9-179.4 10.3 -3.5 18.1 113 115 A K + 0 0 107 -2,-0.1 2,-0.4 -3,-0.1 -5,-0.1 -0.920 26.2 164.4-145.4 110.9 11.5 -6.8 19.6 114 116 A L - 0 0 21 -2,-0.3 2,-0.3 -10,-0.1 -6,-0.0 -0.992 25.9-145.7-135.8 131.7 15.0 -7.3 20.8 115 117 A T >> - 0 0 48 -2,-0.4 4,-2.7 1,-0.1 3,-0.9 -0.637 36.7-109.7 -87.6 151.3 16.5 -9.9 23.1 116 118 A D H 3> S+ 0 0 86 1,-0.3 4,-1.6 -2,-0.3 -1,-0.1 0.726 122.7 58.8 -53.3 -19.2 19.3 -8.7 25.4 117 119 A E H 3> S+ 0 0 129 2,-0.2 4,-1.7 1,-0.2 -1,-0.3 0.907 108.7 41.5 -75.2 -44.4 21.5 -10.8 23.0 118 120 A E H <> S+ 0 0 47 -3,-0.9 4,-2.4 2,-0.2 -2,-0.2 0.829 111.1 57.8 -71.2 -34.0 20.5 -8.8 20.0 119 121 A V H X S+ 0 0 0 -4,-2.7 4,-1.8 1,-0.2 -2,-0.2 0.931 109.2 45.5 -62.0 -44.6 20.7 -5.6 22.1 120 122 A D H X S+ 0 0 94 -4,-1.6 4,-3.0 -5,-0.2 -1,-0.2 0.862 112.5 49.5 -67.5 -37.2 24.3 -6.3 22.8 121 123 A E H X S+ 0 0 58 -4,-1.7 4,-2.0 2,-0.2 -1,-0.2 0.859 107.5 56.0 -70.6 -35.3 25.2 -7.3 19.3 122 124 A M H X S+ 0 0 3 -4,-2.4 4,-0.9 2,-0.2 -2,-0.2 0.940 115.2 37.7 -61.1 -46.6 23.5 -4.1 18.0 123 125 A I H >X S+ 0 0 8 -4,-1.8 4,-2.8 1,-0.2 3,-1.0 0.956 112.7 56.8 -68.7 -50.7 25.8 -2.0 20.2 124 126 A R H 3< S+ 0 0 153 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.802 104.5 53.9 -51.6 -36.0 28.9 -4.2 19.8 125 127 A E H 3< S+ 0 0 76 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.838 119.2 32.8 -70.6 -32.3 28.7 -3.7 16.0 126 128 A A H << S+ 0 0 9 -3,-1.0 2,-2.4 -4,-0.9 -2,-0.2 0.655 90.7 101.3 -96.0 -17.9 28.7 0.1 16.3 127 129 A D >< + 0 0 21 -4,-2.8 3,-1.5 1,-0.2 5,-0.1 -0.369 42.5 169.2 -71.9 72.7 30.8 0.4 19.4 128 130 A I T 3 S+ 0 0 120 -2,-2.4 -1,-0.2 1,-0.3 6,-0.1 0.812 77.7 40.7 -54.4 -38.4 34.1 1.4 17.7 129 131 A D T 3 S- 0 0 93 4,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.436 105.0-130.4 -94.3 2.2 35.9 2.4 20.9 130 132 A G < + 0 0 54 -3,-1.5 -2,-0.1 3,-0.1 -3,-0.1 0.574 65.7 131.4 64.2 16.7 34.5 -0.6 22.7 131 133 A D S S- 0 0 77 2,-0.2 -1,-0.1 1,-0.1 3,-0.1 0.417 78.8-111.5 -79.0 3.5 33.3 1.3 25.8 132 134 A G S S+ 0 0 34 1,-0.3 -32,-0.3 -5,-0.1 2,-0.3 0.390 89.3 91.6 84.2 -3.6 29.9 -0.5 25.6 133 135 A Q S S- 0 0 53 -34,-0.1 2,-0.6 -10,-0.1 -1,-0.3 -0.763 73.7-126.7-116.9 164.9 28.1 2.7 24.6 134 136 A V E -B 98 0B 1 -36,-2.1 -36,-2.6 -2,-0.3 -7,-0.1 -0.934 27.9-164.2-115.8 108.5 27.3 4.3 21.3 135 137 A N E > -B 97 0B 27 -2,-0.6 4,-2.5 -38,-0.2 -38,-0.2 -0.268 37.0 -94.8 -81.2 175.3 28.5 7.9 21.1 136 138 A Y H > S+ 0 0 79 -40,-0.7 4,-2.6 1,-0.2 5,-0.2 0.920 124.1 51.3 -60.7 -44.4 27.3 10.4 18.5 137 139 A E H > S+ 0 0 151 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.914 114.3 45.4 -59.1 -41.5 30.2 9.8 16.1 138 140 A E H > S+ 0 0 4 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.863 109.6 55.1 -69.9 -36.9 29.6 6.1 16.3 139 141 A F H X S+ 0 0 1 -4,-2.5 4,-3.1 2,-0.2 5,-0.2 0.927 106.2 51.0 -64.0 -44.6 25.9 6.5 15.8 140 142 A V H X S+ 0 0 39 -4,-2.6 4,-3.9 2,-0.2 5,-0.4 0.947 111.0 47.5 -57.3 -51.1 26.3 8.5 12.6 141 143 A Q H X S+ 0 0 112 -4,-1.8 4,-1.1 1,-0.2 -1,-0.2 0.893 114.7 48.4 -57.4 -39.3 28.6 5.8 11.1 142 144 A M H < S+ 0 0 22 -4,-2.2 -2,-0.2 2,-0.2 -1,-0.2 0.900 119.8 36.8 -68.8 -40.9 26.0 3.2 12.2 143 145 A M H < S+ 0 0 22 -4,-3.1 -2,-0.2 1,-0.2 -3,-0.2 0.928 115.9 49.3 -79.9 -46.8 23.1 5.1 10.8 144 146 A T H < S+ 0 0 84 -4,-3.9 -3,-0.2 -5,-0.2 -1,-0.2 0.761 109.4 62.0 -65.0 -24.8 24.6 6.6 7.6 145 147 A A < 0 0 28 -4,-1.1 -3,-0.1 -5,-0.4 -2,-0.0 0.466 360.0 360.0 -72.8-136.1 26.0 3.1 6.7 146 148 A K 0 0 150 15,-0.0 -1,-0.2 12,-0.0 16,-0.1 -0.145 360.0 360.0-115.0 360.0 23.6 0.2 6.1 147 !* 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 1522 B K > 0 0 42 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 16.9 10.2 13.0 15.4 149 1523 B F H > + 0 0 7 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.968 360.0 35.6 -55.5 -57.9 8.1 11.2 12.8 150 1524 B Y H > S+ 0 0 13 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.836 114.8 57.0 -69.5 -31.9 11.0 10.6 10.3 151 1525 B A H > S+ 0 0 0 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.897 107.3 49.0 -64.5 -40.6 13.6 10.1 13.1 152 1526 B T H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.851 109.3 53.1 -66.9 -33.6 11.5 7.3 14.5 153 1527 B F H X S+ 0 0 2 -4,-1.6 4,-2.8 -5,-0.2 -2,-0.2 0.910 105.5 54.0 -67.2 -40.7 11.2 5.8 11.0 154 1528 B L H X S+ 0 0 24 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.890 109.4 47.6 -58.3 -43.6 15.1 5.9 10.7 155 1529 B I H X S+ 0 0 1 -4,-1.6 4,-1.9 2,-0.2 -1,-0.2 0.918 112.9 48.6 -63.2 -45.1 15.4 4.0 13.9 156 1530 B Q H X S+ 0 0 10 -4,-2.1 4,-1.7 1,-0.2 -2,-0.2 0.870 112.0 50.4 -62.4 -38.0 12.8 1.4 12.7 157 1531 B E H X S+ 0 0 40 -4,-2.8 4,-2.2 2,-0.2 -1,-0.2 0.813 107.2 52.9 -69.6 -35.8 14.6 1.2 9.4 158 1532 B H H X S+ 0 0 11 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.882 108.4 50.2 -69.8 -37.7 18.0 0.6 11.1 159 1533 B F H X S+ 0 0 6 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.913 108.6 53.2 -65.7 -40.1 16.5 -2.3 13.1 160 1534 B R H < S+ 0 0 27 -4,-1.7 -2,-0.2 1,-0.2 4,-0.2 0.947 108.7 49.2 -57.1 -47.8 15.1 -3.7 9.8 161 1535 B K H >X S+ 0 0 65 -4,-2.2 4,-2.0 1,-0.2 3,-0.9 0.856 110.2 52.4 -59.1 -37.6 18.6 -3.6 8.3 162 1536 B F H 3< S+ 0 0 0 -4,-2.0 4,-0.4 1,-0.2 -2,-0.2 0.949 101.5 57.6 -63.6 -52.0 19.9 -5.3 11.4 163 1537 B M T 3X S+ 0 0 69 -4,-2.6 4,-0.6 1,-0.2 -1,-0.2 0.453 112.3 44.4 -61.1 1.4 17.5 -8.2 11.3 164 1538 B K H <> S+ 0 0 114 -3,-0.9 4,-1.8 -4,-0.2 -1,-0.2 0.691 105.1 55.8-112.0 -39.8 18.8 -8.9 7.8 165 1539 B R H < S+ 0 0 93 -4,-2.0 -2,-0.2 1,-0.2 -3,-0.1 0.430 117.8 43.6 -72.1 5.8 22.5 -8.5 8.5 166 1540 B Q H 4 S+ 0 0 75 -4,-0.4 -1,-0.2 -5,-0.2 -2,-0.2 0.696 103.6 60.4-112.0 -49.2 21.4 -11.2 11.0 167 1541 B E H < 0 0 157 -4,-0.6 -2,-0.2 1,-0.2 -3,-0.1 0.939 360.0 360.0 -46.0 -59.8 19.2 -13.4 8.9 168 1542 B E < 0 0 206 -4,-1.8 -1,-0.2 0, 0.0 -3,-0.1 0.008 360.0 360.0 57.5 360.0 22.1 -14.2 6.5