==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PROTEIN TRANSPORT 20-AUG-02 1MHQ . COMPND 2 MOLECULE: ADP-RIBOSYLATION FACTOR BINDING PROTEIN GGA2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR G.ZHU,X.C.ZHANG . 287 3 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14699.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 207 72.1 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 . 0 0.0 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 3.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 160 55.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 2 2 0 1 3 2 1 0 0 4 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 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 25 A S > 0 0 82 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 158.6 -1.0 -8.1 27.0 2 26 A L H > + 0 0 4 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.924 360.0 49.9 -51.3 -55.3 1.7 -6.7 24.7 3 27 A E H > S+ 0 0 69 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.939 108.7 54.4 -50.6 -54.7 -0.5 -6.5 21.7 4 28 A L H > S+ 0 0 74 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.925 113.4 38.5 -42.6 -66.1 -3.1 -4.6 23.7 5 29 A W H X S+ 0 0 61 -4,-2.1 4,-3.3 1,-0.2 -1,-0.2 0.902 114.0 55.1 -57.5 -46.1 -0.9 -1.9 24.9 6 30 A L H X S+ 0 0 0 -4,-2.9 4,-1.2 1,-0.2 -1,-0.2 0.879 108.4 48.5 -57.7 -40.4 1.1 -1.6 21.7 7 31 A N H X S+ 0 0 35 -4,-2.7 4,-0.9 -5,-0.3 -1,-0.2 0.879 113.0 46.4 -71.7 -32.5 -2.0 -1.0 19.7 8 32 A K H >< S+ 0 0 89 -4,-1.8 10,-0.6 -5,-0.3 3,-0.5 0.917 114.3 50.7 -69.6 -42.2 -3.3 1.6 22.2 9 33 A A H 3< S+ 0 0 0 -4,-3.3 -2,-0.2 12,-0.2 -1,-0.2 0.649 120.4 33.3 -69.2 -17.3 0.2 3.1 22.1 10 34 A T H 3< S+ 0 0 0 -4,-1.2 -1,-0.2 -5,-0.2 -2,-0.2 0.364 78.6 142.2-121.4 2.3 0.3 3.3 18.3 11 35 A D X< - 0 0 56 -4,-0.9 3,-0.9 -3,-0.5 7,-0.1 -0.231 36.8-158.7 -50.4 113.8 -3.3 3.9 17.4 12 36 A P T 3 S+ 0 0 30 0, 0.0 -1,-0.2 0, 0.0 41,-0.1 0.487 85.4 69.2 -77.6 0.7 -3.4 6.3 14.4 13 37 A S T 3 S+ 0 0 86 40,-0.0 2,-0.4 135,-0.0 -2,-0.1 0.715 78.7 99.8 -85.4 -21.0 -7.0 7.5 15.0 14 38 A M < - 0 0 67 -3,-0.9 4,-0.0 1,-0.2 3,-0.0 -0.498 69.2-148.7 -67.5 118.3 -5.6 9.3 18.2 15 39 A S S S+ 0 0 96 -2,-0.4 2,-0.3 1,-0.1 -1,-0.2 0.896 91.4 22.7 -54.5 -36.7 -5.1 13.0 17.6 16 40 A E S S- 0 0 143 -3,-0.0 2,-0.3 0, 0.0 -1,-0.1 -0.885 97.3 -97.9-127.4 159.4 -2.3 12.5 20.1 17 41 A Q - 0 0 33 -2,-0.3 2,-1.5 1,-0.1 -8,-0.1 -0.583 34.1-119.0 -81.1 135.0 -0.3 9.5 21.2 18 42 A D > - 0 0 54 -10,-0.6 4,-1.3 -2,-0.3 3,-0.5 -0.586 29.8-172.3 -75.7 96.3 -1.4 7.7 24.4 19 43 A W H > S+ 0 0 137 -2,-1.5 4,-1.7 1,-0.2 -1,-0.2 0.789 79.0 58.8 -59.9 -31.7 1.7 8.2 26.4 20 44 A S H > S+ 0 0 63 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.885 103.0 53.2 -66.8 -40.2 0.5 6.0 29.3 21 45 A A H > S+ 0 0 0 -3,-0.5 4,-2.6 2,-0.2 -12,-0.2 0.861 103.9 56.4 -62.7 -37.8 0.1 3.0 26.9 22 46 A I H X S+ 0 0 0 -4,-1.3 4,-2.3 1,-0.2 5,-0.2 0.952 109.3 46.3 -59.7 -47.6 3.7 3.4 25.7 23 47 A Q H X S+ 0 0 102 -4,-1.7 4,-1.2 1,-0.2 -2,-0.2 0.909 111.7 51.7 -61.8 -40.2 4.8 3.1 29.3 24 48 A N H X S+ 0 0 40 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.874 108.5 52.9 -64.7 -36.4 2.6 0.1 29.8 25 49 A F H X S+ 0 0 0 -4,-2.6 4,-1.8 1,-0.2 3,-0.4 0.980 106.7 47.6 -64.5 -57.8 4.0 -1.6 26.8 26 50 A a H X S+ 0 0 5 -4,-2.3 4,-0.8 1,-0.2 -1,-0.2 0.769 111.1 54.5 -58.4 -22.7 7.6 -1.4 27.6 27 51 A E H >X S+ 0 0 115 -4,-1.2 4,-2.1 -5,-0.2 3,-0.7 0.902 104.6 51.8 -77.5 -40.5 6.9 -2.7 31.1 28 52 A Q H 3X S+ 0 0 47 -4,-1.8 4,-3.0 -3,-0.4 7,-0.3 0.854 101.6 64.8 -60.7 -33.7 5.0 -5.8 29.7 29 53 A V H 3< S+ 0 0 0 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.860 108.0 38.0 -58.7 -37.4 8.2 -6.4 27.7 30 54 A N H << S+ 0 0 87 -4,-0.8 -1,-0.2 -3,-0.7 -2,-0.2 0.836 120.5 50.7 -81.1 -31.5 10.2 -6.9 30.8 31 55 A T H < S+ 0 0 89 -4,-2.1 -2,-0.2 -5,-0.1 -3,-0.2 0.986 100.8 57.1 -67.9 -65.4 7.3 -8.8 32.4 32 56 A D S < S- 0 0 46 -4,-3.0 3,-0.5 1,-0.1 0, 0.0 -0.502 74.8-138.6 -73.8 135.0 6.2 -11.4 29.9 33 57 A P S > S+ 0 0 100 0, 0.0 4,-0.6 0, 0.0 -1,-0.1 0.765 106.3 55.1 -65.5 -23.3 8.8 -13.9 28.7 34 58 A N H > S+ 0 0 76 1,-0.2 4,-2.3 2,-0.1 5,-0.4 0.821 87.6 86.3 -76.4 -29.4 7.6 -13.6 25.2 35 59 A G H > S+ 0 0 0 -3,-0.5 4,-2.8 -7,-0.3 3,-0.2 0.821 88.2 44.1 -35.4 -59.2 8.0 -9.8 25.4 36 60 A P H 4 S+ 0 0 11 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.938 120.8 39.8 -58.0 -48.5 11.7 -9.7 24.3 37 61 A T H < S+ 0 0 63 -4,-0.6 -2,-0.2 -3,-0.2 4,-0.2 0.654 127.1 32.7 -78.9 -15.4 11.3 -12.2 21.5 38 62 A H H >X S+ 0 0 82 -4,-2.3 4,-2.0 -3,-0.2 3,-0.6 0.791 103.5 68.2-107.8 -38.9 8.0 -10.9 20.3 39 63 A A H 3X S+ 0 0 0 -4,-2.8 4,-2.6 -5,-0.4 5,-0.2 0.863 94.7 56.8 -52.9 -44.2 7.9 -7.1 20.9 40 64 A P H 3> S+ 0 0 0 0, 0.0 4,-3.2 0, 0.0 -1,-0.2 0.904 109.7 45.6 -58.2 -38.4 10.6 -6.2 18.3 41 65 A W H <> S+ 0 0 51 -3,-0.6 4,-2.2 2,-0.2 -2,-0.2 0.901 111.3 51.9 -73.1 -35.6 8.6 -7.8 15.5 42 66 A L H X S+ 0 0 6 -4,-2.0 4,-1.4 1,-0.2 -1,-0.2 0.905 115.9 43.2 -63.3 -38.5 5.4 -6.2 16.7 43 67 A L H X S+ 0 0 0 -4,-2.6 4,-2.4 -5,-0.2 5,-0.2 0.922 109.4 56.1 -69.6 -48.4 7.2 -2.9 16.6 44 68 A A H X S+ 0 0 3 -4,-3.2 4,-1.3 -5,-0.2 -2,-0.2 0.884 106.0 51.1 -52.1 -45.0 9.0 -3.6 13.3 45 69 A H H < S+ 0 0 0 -4,-2.2 3,-0.3 1,-0.2 -1,-0.2 0.931 111.7 45.8 -61.9 -48.3 5.6 -4.2 11.6 46 70 A K H >< S+ 0 0 9 -4,-1.4 3,-1.5 1,-0.2 -1,-0.2 0.865 108.2 56.6 -64.5 -37.1 4.1 -1.0 12.8 47 71 A I H 3< S+ 0 0 1 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.820 106.7 51.3 -63.6 -30.5 7.2 1.1 11.9 48 72 A Q T 3< S+ 0 0 30 -4,-1.3 -1,-0.3 -3,-0.3 50,-0.2 0.352 85.3 134.1 -88.9 7.4 7.0 -0.2 8.3 49 73 A S < - 0 0 3 -3,-1.5 6,-0.2 1,-0.1 137,-0.1 -0.261 60.3-139.6 -63.4 142.0 3.3 0.9 8.1 50 74 A P S S+ 0 0 29 0, 0.0 2,-0.9 0, 0.0 -1,-0.1 0.601 90.8 85.2 -73.3 -10.6 2.1 2.8 5.1 51 75 A Q S >> S- 0 0 1 1,-0.2 4,-1.8 -5,-0.1 3,-0.8 -0.824 74.5-155.5 -93.5 101.8 0.1 4.9 7.6 52 76 A E H 3> S+ 0 0 69 -2,-0.9 4,-2.8 1,-0.3 5,-0.2 0.806 87.5 52.5 -47.9 -45.2 2.6 7.5 8.7 53 77 A K H 3> S+ 0 0 80 1,-0.2 4,-2.5 2,-0.2 -1,-0.3 0.879 108.7 52.5 -62.6 -36.3 1.2 8.3 12.1 54 78 A E H <> S+ 0 0 3 -3,-0.8 4,-2.1 2,-0.2 -1,-0.2 0.923 111.0 47.9 -64.8 -40.8 1.2 4.7 13.0 55 79 A A H X S+ 0 0 1 -4,-1.8 4,-2.7 2,-0.2 -2,-0.2 0.950 112.4 46.7 -65.0 -50.4 4.9 4.5 12.0 56 80 A L H X S+ 0 0 28 -4,-2.8 4,-2.6 2,-0.2 5,-0.2 0.946 111.2 52.0 -56.9 -51.8 6.0 7.6 13.9 57 81 A Y H X S+ 0 0 21 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.921 111.4 47.7 -50.5 -47.7 4.1 6.5 17.0 58 82 A A H X S+ 0 0 0 -4,-2.1 4,-3.4 2,-0.2 5,-0.2 0.897 107.2 55.4 -61.4 -44.6 5.8 3.1 16.8 59 83 A L H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.933 109.4 48.2 -55.3 -43.1 9.2 4.7 16.3 60 84 A T H X S+ 0 0 39 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.929 110.7 49.7 -64.8 -42.5 8.5 6.6 19.6 61 85 A V H X S+ 0 0 0 -4,-2.3 4,-2.9 1,-0.2 -2,-0.2 0.932 111.8 49.5 -59.9 -43.2 7.5 3.4 21.3 62 86 A L H X S+ 0 0 0 -4,-3.4 4,-2.2 1,-0.2 -1,-0.2 0.926 109.5 52.2 -58.6 -46.5 10.7 1.8 20.1 63 87 A E H X S+ 0 0 46 -4,-2.6 4,-1.0 -5,-0.2 -1,-0.2 0.909 112.3 44.8 -57.4 -46.0 12.6 4.7 21.3 64 88 A M H X S+ 0 0 29 -4,-2.7 4,-1.9 1,-0.2 3,-0.3 0.905 111.5 51.4 -68.9 -41.5 11.1 4.4 24.8 65 89 A a H X S+ 0 0 0 -4,-2.9 4,-2.7 1,-0.2 -2,-0.2 0.860 103.9 57.0 -66.3 -33.6 11.5 0.7 25.1 66 90 A M H < S+ 0 0 7 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.863 112.9 43.4 -64.2 -32.2 15.2 0.6 24.2 67 91 A N H < S+ 0 0 76 -4,-1.0 -2,-0.2 -3,-0.3 -1,-0.2 0.829 125.4 28.8 -83.3 -29.8 15.7 3.0 27.0 68 92 A H H < S+ 0 0 117 -4,-1.9 -2,-0.2 2,-0.1 -3,-0.2 0.721 98.6 84.8-105.9 -22.7 13.6 1.4 29.7 69 93 A C S < S- 0 0 14 -4,-2.7 -42,-0.1 -5,-0.2 -43,-0.0 -0.254 79.1-100.7 -76.6 169.7 13.4 -2.3 28.9 70 94 A G > - 0 0 36 1,-0.1 4,-2.1 4,-0.0 3,-0.4 -0.116 42.0 -79.6 -83.6-177.4 16.1 -4.7 30.2 71 95 A E H > S+ 0 0 139 1,-0.2 4,-2.8 2,-0.2 5,-0.1 0.781 122.2 61.5 -51.2 -35.2 19.1 -6.3 28.6 72 96 A K H > S+ 0 0 145 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.951 109.1 38.7 -61.7 -52.6 16.9 -9.1 27.0 73 97 A F H >> S+ 0 0 2 -3,-0.4 4,-2.2 2,-0.2 3,-1.0 0.982 116.9 51.7 -60.7 -56.1 14.9 -6.7 24.8 74 98 A H H 3X S+ 0 0 25 -4,-2.1 4,-2.3 1,-0.3 -2,-0.2 0.889 106.8 56.0 -43.5 -47.9 18.0 -4.6 24.1 75 99 A S H 3< S+ 0 0 40 -4,-2.8 4,-0.3 -5,-0.2 -1,-0.3 0.875 107.4 47.7 -55.0 -43.4 19.7 -7.7 23.1 76 100 A E H X< S+ 0 0 20 -4,-1.6 3,-1.3 -3,-1.0 6,-0.4 0.919 112.3 46.7 -67.1 -47.1 17.1 -8.5 20.5 77 101 A V H 3< S+ 0 0 0 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.829 106.1 61.8 -64.4 -30.5 17.0 -5.1 18.9 78 102 A A T 3< S+ 0 0 13 -4,-2.3 -1,-0.3 -5,-0.3 46,-0.2 0.599 86.2 96.5 -73.2 -10.6 20.8 -5.1 18.9 79 103 A K S <> S- 0 0 66 -3,-1.3 4,-2.1 -4,-0.3 3,-0.2 -0.455 81.7-124.2 -78.5 152.8 20.8 -8.2 16.6 80 104 A F H > S+ 0 0 85 1,-0.2 4,-3.6 2,-0.2 5,-0.3 0.894 106.1 64.8 -65.4 -40.5 21.1 -7.7 12.8 81 105 A R H > S+ 0 0 117 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.923 110.0 40.1 -49.5 -45.7 17.9 -9.5 11.9 82 106 A F H > S+ 0 0 0 -6,-0.4 4,-1.6 1,-0.2 3,-0.5 0.942 113.5 51.8 -70.7 -45.9 16.1 -6.8 13.7 83 107 A L H X S+ 0 0 1 -4,-2.1 4,-2.6 1,-0.3 -2,-0.2 0.877 104.0 59.6 -59.2 -35.5 18.2 -3.9 12.5 84 108 A N H X S+ 0 0 63 -4,-3.6 4,-1.4 1,-0.2 -1,-0.3 0.906 102.6 52.3 -60.3 -39.5 17.7 -5.1 9.0 85 109 A E H X S+ 0 0 28 -4,-1.2 4,-0.6 -3,-0.5 -1,-0.2 0.887 109.6 49.3 -61.4 -39.8 13.9 -4.6 9.4 86 110 A L H >< S+ 0 0 3 -4,-1.6 3,-0.9 1,-0.2 4,-0.3 0.915 110.0 52.2 -63.6 -43.2 14.5 -1.1 10.6 87 111 A I H >< S+ 0 0 27 -4,-2.6 3,-1.5 1,-0.2 -1,-0.2 0.708 90.1 74.5 -67.6 -24.6 16.7 -0.5 7.6 88 112 A K H >< S+ 0 0 101 -4,-1.4 3,-1.9 1,-0.3 -1,-0.2 0.846 88.5 64.0 -59.3 -30.7 14.1 -1.7 5.1 89 113 A V T << S+ 0 0 3 -3,-0.9 -1,-0.3 -4,-0.6 10,-0.2 0.825 99.9 52.3 -59.8 -30.7 12.3 1.6 5.8 90 114 A L T < S+ 0 0 10 -3,-1.5 -1,-0.3 -4,-0.3 -2,-0.2 0.351 77.9 148.0 -88.4 6.6 15.4 3.3 4.3 91 115 A S < - 0 0 24 -3,-1.9 5,-0.1 5,-0.2 6,-0.1 -0.148 35.7-160.8 -43.6 123.6 15.3 1.2 1.1 92 116 A P + 0 0 101 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 0.482 55.7 112.0 -88.7 -2.4 16.6 3.4 -1.7 93 117 A K S > S- 0 0 154 1,-0.1 3,-3.0 2,-0.1 4,-0.4 -0.380 85.0 -87.5 -73.4 149.4 14.9 1.2 -4.3 94 118 A Y T 3 S- 0 0 202 1,-0.3 -1,-0.1 2,-0.2 -3,-0.0 -0.345 116.0 -4.8 -56.7 123.2 12.0 2.4 -6.4 95 119 A L T 3 S+ 0 0 89 2,-0.2 -1,-0.3 -2,-0.1 3,-0.1 0.747 98.2 135.2 59.7 20.6 8.8 1.6 -4.5 96 120 A G S < S+ 0 0 35 -3,-3.0 2,-0.3 1,-0.2 -5,-0.2 0.699 72.3 13.8 -73.1 -16.2 11.2 -0.0 -2.1 97 121 A S - 0 0 33 -4,-0.4 -1,-0.2 -6,-0.1 -2,-0.2 -0.982 52.1-156.2-157.7 141.6 9.5 1.6 0.8 98 122 A W + 0 0 70 -2,-0.3 2,-0.2 -50,-0.2 -9,-0.1 0.234 60.5 121.7-102.9 14.9 6.2 3.4 1.3 99 123 A A - 0 0 12 -10,-0.2 -2,-0.1 1,-0.1 -51,-0.1 -0.497 64.5-118.3 -76.4 143.2 7.6 5.2 4.4 100 124 A T > - 0 0 52 -2,-0.2 4,-2.1 1,-0.1 5,-0.1 -0.243 24.2-110.8 -72.7 168.9 7.5 9.0 4.4 101 125 A G H > S+ 0 0 52 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.801 119.9 61.3 -69.8 -28.1 10.8 11.0 4.6 102 126 A K H > S+ 0 0 140 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.969 106.5 45.1 -60.3 -51.9 9.7 12.1 8.0 103 127 A V H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.920 112.0 51.0 -59.2 -46.2 9.7 8.5 9.1 104 128 A K H X S+ 0 0 70 -4,-2.1 4,-2.7 1,-0.2 -1,-0.2 0.910 108.7 52.2 -59.0 -43.0 13.1 7.7 7.4 105 129 A G H X S+ 0 0 36 -4,-2.7 4,-2.7 1,-0.2 -1,-0.2 0.930 109.0 50.2 -59.9 -46.3 14.6 10.7 9.2 106 130 A R H X S+ 0 0 41 -4,-2.4 4,-3.2 2,-0.2 5,-0.2 0.953 109.5 50.1 -57.0 -49.4 13.4 9.5 12.5 107 131 A V H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.927 112.2 48.9 -55.4 -44.0 14.8 6.0 11.9 108 132 A I H X S+ 0 0 31 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.912 111.1 49.6 -62.3 -42.3 18.1 7.6 10.9 109 133 A E H X S+ 0 0 66 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.946 111.0 49.4 -61.6 -49.2 18.0 9.7 14.0 110 134 A I H X S+ 0 0 1 -4,-3.2 4,-1.6 1,-0.2 -1,-0.2 0.872 109.9 52.6 -58.8 -38.3 17.3 6.7 16.3 111 135 A L H X S+ 0 0 3 -4,-2.3 4,-1.9 -5,-0.2 -1,-0.2 0.900 109.8 45.0 -66.3 -46.1 20.1 4.7 14.7 112 136 A F H X S+ 0 0 29 -4,-2.0 4,-1.8 2,-0.2 5,-0.2 0.927 108.5 57.9 -64.0 -44.7 22.9 7.2 15.2 113 137 A S H X S+ 0 0 8 -4,-2.3 4,-2.8 1,-0.3 5,-0.3 0.904 108.3 48.6 -53.6 -39.9 21.7 7.9 18.8 114 138 A W H X S+ 0 0 2 -4,-1.6 4,-2.9 2,-0.2 -1,-0.3 0.898 103.8 56.6 -68.1 -41.5 22.2 4.2 19.4 115 139 A T H < S+ 0 0 31 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.826 117.0 40.3 -58.7 -28.1 25.7 4.2 17.8 116 140 A V H < S+ 0 0 68 -4,-1.8 -2,-0.2 -3,-0.2 -1,-0.2 0.843 119.7 39.4 -87.5 -44.0 26.5 6.9 20.4 117 141 A W H < S+ 0 0 107 -4,-2.8 -3,-0.2 1,-0.2 -2,-0.2 0.794 126.6 36.1 -79.7 -27.1 24.7 5.6 23.5 118 142 A F >< + 0 0 34 -4,-2.9 3,-2.4 -5,-0.3 -1,-0.2 -0.485 59.7 155.8-126.7 64.6 25.6 2.0 22.9 119 143 A P T 3 S+ 0 0 94 0, 0.0 -1,-0.1 0, 0.0 6,-0.1 0.691 72.9 71.1 -61.3 -17.0 29.1 1.8 21.4 120 144 A E T 3 S+ 0 0 118 -3,-0.1 2,-1.1 1,-0.1 -5,-0.1 0.711 77.0 89.8 -72.9 -17.5 29.2 -1.7 22.8 121 145 A D <> - 0 0 26 -3,-2.4 4,-2.0 -7,-0.2 5,-0.1 -0.690 54.8-177.5 -87.6 100.9 26.7 -2.9 20.2 122 146 A I H > S+ 0 0 91 -2,-1.1 4,-3.4 2,-0.2 5,-0.2 0.869 79.3 51.1 -62.3 -47.2 28.7 -4.0 17.2 123 147 A K H > S+ 0 0 107 -45,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.899 111.4 51.4 -61.0 -38.6 25.9 -4.9 14.8 124 148 A I H > S+ 0 0 2 -46,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.925 112.2 44.9 -65.0 -43.5 24.4 -1.5 15.5 125 149 A R H X S+ 0 0 131 -4,-2.0 4,-2.6 1,-0.2 5,-0.2 0.969 113.9 50.1 -62.8 -51.5 27.7 0.2 14.8 126 150 A D H X S+ 0 0 62 -4,-3.4 4,-2.5 1,-0.2 -2,-0.2 0.848 109.8 50.4 -57.8 -36.3 28.3 -1.8 11.7 127 151 A A H X S+ 0 0 2 -4,-2.3 4,-3.0 2,-0.2 5,-0.3 0.957 110.0 48.5 -68.9 -48.0 24.8 -1.2 10.3 128 152 A Y H X S+ 0 0 3 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.911 115.0 46.4 -57.9 -42.2 25.0 2.6 10.7 129 153 A Q H X S+ 0 0 85 -4,-2.6 4,-3.4 2,-0.2 -1,-0.2 0.926 109.6 53.7 -65.6 -43.7 28.4 2.5 9.0 130 154 A M H X S+ 0 0 84 -4,-2.5 4,-2.6 1,-0.2 6,-0.2 0.934 110.3 47.3 -55.3 -49.3 27.1 0.3 6.3 131 155 A L H <>S+ 0 0 5 -4,-3.0 5,-1.5 1,-0.2 6,-1.1 0.902 111.3 52.3 -59.1 -40.2 24.3 2.7 5.6 132 156 A K H ><5S+ 0 0 52 -4,-2.0 3,-1.4 -5,-0.3 -2,-0.2 0.946 110.1 48.1 -60.6 -48.9 26.9 5.5 5.7 133 157 A K H 3<5S+ 0 0 181 -4,-3.4 -2,-0.2 1,-0.3 -1,-0.2 0.889 107.4 55.3 -61.5 -39.4 29.0 3.7 3.2 134 158 A Q T 3<5S- 0 0 131 -4,-2.6 -1,-0.3 -5,-0.2 -2,-0.2 0.484 112.1-116.1 -75.5 0.3 26.1 3.0 0.8 135 159 A G T < 5S+ 0 0 57 -3,-1.4 -3,-0.2 -4,-0.4 3,-0.2 0.521 85.2 118.1 79.3 3.8 25.2 6.7 0.6 136 160 A I S 0 0 86 0, 0.0 4,-1.2 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 3.9 -10.6 7.7 4.2 146 26 B L H > + 0 0 10 1,-0.2 4,-3.1 2,-0.2 5,-0.3 0.843 360.0 67.5 -67.6 -34.5 -9.9 4.0 3.7 147 27 B E H > S+ 0 0 83 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.939 99.1 51.4 -51.3 -49.7 -7.5 4.1 6.6 148 28 B L H > S+ 0 0 78 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.936 116.3 36.1 -50.3 -63.6 -10.4 4.7 9.0 149 29 B W H X S+ 0 0 65 -4,-1.2 4,-3.2 1,-0.2 -1,-0.2 0.855 115.2 56.5 -62.7 -38.8 -12.6 1.8 7.9 150 30 B L H X S+ 0 0 0 -4,-3.1 4,-1.6 2,-0.2 -1,-0.2 0.921 109.4 45.1 -61.2 -45.3 -9.7 -0.5 7.2 151 31 B N H < S+ 0 0 31 -4,-2.6 4,-0.4 -5,-0.3 3,-0.3 0.929 114.9 48.0 -66.4 -42.3 -8.4 -0.1 10.8 152 32 B K H >< S+ 0 0 93 -4,-2.2 3,-1.0 -5,-0.3 10,-0.4 0.929 112.8 50.0 -61.0 -42.7 -11.9 -0.5 12.2 153 33 B A H 3< S+ 0 0 0 -4,-3.2 -1,-0.2 1,-0.2 9,-0.2 0.733 119.8 35.5 -68.8 -23.1 -12.3 -3.6 9.9 154 34 B T T 3< S+ 0 0 0 -4,-1.6 -1,-0.2 -3,-0.3 -2,-0.2 0.181 78.5 144.0-116.5 16.7 -9.1 -5.2 11.1 155 35 B D X - 0 0 50 -3,-1.0 3,-2.0 -4,-0.4 7,-0.1 -0.415 37.2-158.9 -61.0 104.0 -9.2 -4.0 14.7 156 36 B P T 3 S+ 0 0 23 0, 0.0 -1,-0.2 0, 0.0 41,-0.1 0.583 87.3 68.0 -63.1 -8.8 -7.6 -7.0 16.6 157 37 B S T 3 S+ 0 0 85 -154,-0.1 2,-0.6 -153,-0.1 -2,-0.1 0.734 77.4 94.3 -83.4 -20.6 -9.2 -5.8 19.8 158 38 B M < - 0 0 67 -3,-2.0 4,-0.1 1,-0.2 3,-0.0 -0.601 67.0-155.2 -72.3 113.3 -12.7 -6.7 18.3 159 39 B S S S+ 0 0 113 -2,-0.6 2,-0.4 1,-0.1 -1,-0.2 0.775 89.2 33.2 -59.9 -24.0 -13.4 -10.2 19.6 160 40 B E S S- 0 0 142 -3,-0.0 -1,-0.1 0, 0.0 -3,-0.0 -0.998 103.3-100.4-134.0 137.3 -15.6 -10.3 16.5 161 41 B Q - 0 0 17 -2,-0.4 2,-1.4 1,-0.1 3,-0.1 -0.203 27.7-120.5 -60.9 146.4 -14.9 -8.6 13.2 162 42 B D >> + 0 0 43 -10,-0.4 4,-2.1 -9,-0.2 3,-0.5 -0.646 32.9 177.3 -87.8 82.9 -16.7 -5.3 12.3 163 43 B W H 3> S+ 0 0 116 -2,-1.4 4,-2.9 1,-0.3 5,-0.2 0.837 78.9 58.0 -57.9 -35.8 -18.5 -6.3 9.1 164 44 B S H 3> S+ 0 0 66 1,-0.2 4,-2.5 2,-0.2 -1,-0.3 0.923 106.9 49.5 -60.3 -41.7 -20.1 -2.9 8.8 165 45 B A H <> S+ 0 0 0 -3,-0.5 4,-2.5 2,-0.2 -2,-0.2 0.916 109.1 53.3 -62.6 -41.7 -16.6 -1.4 8.7 166 46 B I H X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 5,-0.4 0.960 109.1 47.5 -57.5 -51.2 -15.6 -4.0 6.1 167 47 B Q H X S+ 0 0 119 -4,-2.9 4,-2.5 1,-0.2 5,-0.2 0.927 110.3 52.0 -58.7 -44.6 -18.5 -3.0 3.8 168 48 B N H X S+ 0 0 55 -4,-2.5 4,-2.8 1,-0.2 -1,-0.2 0.922 110.3 51.5 -58.4 -41.1 -17.7 0.7 4.2 169 49 B F H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.938 113.1 39.2 -62.2 -52.2 -14.2 0.0 3.3 170 50 B b H X S+ 0 0 4 -4,-2.4 4,-1.2 1,-0.2 -1,-0.2 0.878 115.0 56.9 -68.2 -31.5 -14.7 -1.9 0.0 171 51 B E H >X S+ 0 0 109 -4,-2.5 4,-2.7 -5,-0.4 3,-1.0 0.945 104.6 51.0 -59.8 -48.4 -17.5 0.5 -0.6 172 52 B Q H 3< S+ 0 0 40 -4,-2.8 7,-0.2 1,-0.3 -2,-0.2 0.928 101.2 63.0 -52.8 -47.6 -14.9 3.3 -0.3 173 53 B V H 3< S+ 0 0 1 -4,-2.3 3,-0.3 1,-0.2 -1,-0.3 0.842 112.5 35.1 -47.1 -37.8 -12.8 1.4 -2.8 174 54 B N H << S+ 0 0 77 -4,-1.2 2,-1.1 -3,-1.0 -1,-0.2 0.807 114.7 58.9 -86.9 -32.3 -15.6 1.9 -5.3 175 55 B T S < S+ 0 0 95 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.1 -0.572 101.5 57.2 -97.3 67.5 -16.5 5.4 -4.1 176 56 B D S > S- 0 0 42 -2,-1.1 3,-0.9 -3,-0.3 -1,-0.0 -0.545 71.9-137.6 168.4 124.0 -13.1 7.0 -4.6 177 57 B P T 3 S+ 0 0 112 0, 0.0 -4,-0.0 0, 0.0 -2,-0.0 0.710 111.5 40.7 -65.0 -20.9 -11.0 7.4 -7.7 178 58 B N T >> S+ 0 0 82 1,-0.1 4,-1.6 2,-0.1 3,-1.2 0.411 86.7 97.6-107.6 -0.9 -7.9 6.5 -5.7 179 59 B G H X> S+ 0 0 0 -3,-0.9 4,-2.5 1,-0.3 3,-1.0 0.952 87.5 44.8 -51.4 -55.5 -9.6 3.7 -3.7 180 60 B P H 34 S+ 0 0 19 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.586 112.8 55.2 -66.4 -9.8 -8.2 1.0 -6.0 181 61 B T H <4 S+ 0 0 66 -3,-1.2 -2,-0.2 -8,-0.1 4,-0.1 0.677 120.7 24.3 -95.9 -21.9 -4.8 2.7 -5.9 182 62 B H H XX S+ 0 0 107 -4,-1.6 4,-2.0 -3,-1.0 3,-1.1 0.805 105.5 71.9-109.9 -41.8 -4.4 2.8 -2.2 183 63 B A H 3X S+ 0 0 0 -4,-2.5 4,-3.2 -5,-0.3 5,-0.3 0.866 93.2 56.4 -43.3 -55.7 -6.4 -0.0 -0.7 184 64 B P H 3> S+ 0 0 0 0, 0.0 4,-2.3 0, 0.0 -1,-0.3 0.849 111.7 43.5 -51.3 -35.9 -4.3 -2.9 -1.9 185 65 B W H <> S+ 0 0 25 -3,-1.1 4,-2.0 2,-0.2 -2,-0.2 0.900 114.0 48.4 -78.5 -39.0 -1.2 -1.4 -0.1 186 66 B L H X S+ 0 0 10 -4,-2.0 4,-1.5 1,-0.2 -1,-0.2 0.904 117.1 45.4 -62.7 -39.7 -2.9 -0.5 3.1 187 67 B L H X S+ 0 0 0 -4,-3.2 4,-1.9 -5,-0.3 -2,-0.2 0.885 106.9 57.9 -72.1 -39.7 -4.3 -4.0 2.9 188 68 B A H X S+ 0 0 1 -4,-2.3 4,-1.1 -5,-0.3 -2,-0.2 0.929 106.8 47.7 -57.9 -46.8 -1.0 -5.7 2.1 189 69 B H H >< S+ 0 0 0 -4,-2.0 3,-0.9 1,-0.2 -1,-0.2 0.927 110.0 53.4 -61.2 -43.4 0.6 -4.3 5.2 190 70 B K H >< S+ 0 0 6 -4,-1.5 3,-1.0 1,-0.3 -1,-0.2 0.839 106.3 53.0 -61.3 -33.0 -2.3 -5.4 7.3 191 71 B I H 3< S+ 0 0 1 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.726 102.8 58.8 -76.4 -19.8 -1.9 -8.9 5.9 192 72 B Q T << S+ 0 0 22 -4,-1.1 -1,-0.2 -3,-0.9 -2,-0.2 0.405 79.0 134.5 -89.5 6.0 1.7 -8.9 6.9 193 73 B S < - 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