==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 17-DEC-11 3V5W . COMPND 2 MOLECULE: G-PROTEIN COUPLED RECEPTOR KINASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR D.M.THAL,J.J.G.TESMER . 1019 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 46836.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 699 68.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 218 21.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 12 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 0.5 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 . 4 0.4 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 . 64 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 98 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 273 26.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.0 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 3 3 1 1 2 1 2 2 2 1 4 1 1 0 0 1 0 1 1 1 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 1 3 1 5 19 3 3 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 8 0 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 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 30 A K 0 0 160 0, 0.0 181,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -15.8 18.7 11.6 36.7 2 31 A K - 0 0 122 1,-0.1 2,-0.5 182,-0.0 181,-0.1 -0.070 360.0 -88.7 -69.2 169.8 16.6 14.2 38.4 3 32 A I - 0 0 10 180,-0.3 2,-0.6 485,-0.0 -1,-0.1 -0.689 35.6-167.6 -83.6 123.1 12.8 14.8 38.1 4 33 A L - 0 0 123 -2,-0.5 488,-0.0 147,-0.0 0, 0.0 -0.967 17.3-139.6-108.2 120.9 11.7 17.1 35.3 5 34 A L - 0 0 17 -2,-0.6 143,-0.1 487,-0.1 142,-0.1 -0.504 21.7-108.7 -75.9 148.2 8.0 18.1 35.7 6 35 A P - 0 0 29 0, 0.0 -1,-0.1 0, 0.0 141,-0.1 -0.258 46.5 -87.4 -61.7 163.9 5.9 18.3 32.5 7 36 A E > - 0 0 76 1,-0.1 3,-2.2 140,-0.0 4,-0.2 -0.366 40.7-106.2 -74.4 159.0 4.8 21.7 31.4 8 37 A P T > S+ 0 0 49 0, 0.0 3,-2.3 0, 0.0 4,-0.1 0.768 114.4 73.4 -63.4 -24.3 1.6 23.2 32.9 9 38 A S T >> S+ 0 0 32 1,-0.3 3,-1.9 2,-0.2 4,-0.5 0.644 73.9 84.5 -59.9 -16.3 -0.3 22.6 29.7 10 39 A I H <> S+ 0 0 14 -3,-2.2 4,-2.8 1,-0.3 3,-0.5 0.750 73.4 77.8 -55.2 -23.9 -0.2 18.9 30.7 11 40 A R H <> S+ 0 0 44 -3,-2.3 4,-2.7 1,-0.2 5,-0.4 0.818 80.6 64.2 -54.6 -36.3 -3.2 20.0 32.7 12 41 A S H <> S+ 0 0 22 -3,-1.9 4,-0.8 1,-0.2 -1,-0.2 0.931 114.3 31.2 -56.7 -46.7 -5.4 19.9 29.6 13 42 A V H X S+ 0 0 0 -4,-0.5 4,-2.1 -3,-0.5 -2,-0.2 0.939 121.6 49.6 -74.9 -47.7 -4.9 16.2 29.3 14 43 A M H X S+ 0 0 0 -4,-2.8 4,-2.8 1,-0.2 5,-0.3 0.814 105.3 54.9 -67.7 -35.4 -4.5 15.3 32.9 15 44 A Q H X S+ 0 0 44 -4,-2.7 4,-1.9 -5,-0.2 -1,-0.2 0.897 112.2 44.2 -68.3 -37.9 -7.6 17.0 34.2 16 45 A K H X S+ 0 0 61 -4,-0.8 4,-2.0 -5,-0.4 -2,-0.2 0.878 113.8 51.7 -68.2 -39.2 -9.8 15.2 31.8 17 46 A Y H X S+ 0 0 32 -4,-2.1 4,-0.8 2,-0.2 -2,-0.2 0.934 114.4 41.5 -62.3 -48.4 -8.0 11.9 32.6 18 47 A L H <>S+ 0 0 5 -4,-2.8 5,-2.7 1,-0.2 3,-0.4 0.869 113.3 53.6 -69.9 -36.1 -8.4 12.3 36.3 19 48 A E H ><5S+ 0 0 111 -4,-1.9 3,-1.1 -5,-0.3 -1,-0.2 0.847 102.2 57.2 -70.8 -33.6 -12.0 13.5 36.0 20 49 A D H 3<5S+ 0 0 79 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.794 110.3 47.0 -61.7 -30.3 -13.0 10.5 33.9 21 50 A R T 3<5S- 0 0 102 -4,-0.8 -1,-0.2 -3,-0.4 -2,-0.2 0.364 115.3-115.5 -92.9 1.6 -11.9 8.3 36.8 22 51 A G T < 5S+ 0 0 41 -3,-1.1 -3,-0.2 -4,-0.2 6,-0.1 0.735 77.1 130.4 68.4 25.1 -13.6 10.4 39.5 23 52 A E < + 0 0 60 -5,-2.7 2,-0.6 1,-0.2 -4,-0.2 0.301 45.4 83.4 -93.5 4.4 -10.2 11.4 40.9 24 53 A V + 0 0 25 -6,-0.3 2,-0.3 -5,-0.1 -1,-0.2 -0.591 64.8 112.9-110.2 67.5 -10.9 15.1 41.1 25 54 A T S > S- 0 0 39 -2,-0.6 4,-2.0 1,-0.1 5,-0.3 -0.854 77.1-110.5-127.4 168.3 -12.8 15.3 44.4 26 55 A F H > S+ 0 0 9 -2,-0.3 4,-3.1 1,-0.2 5,-0.3 0.960 118.4 46.4 -62.3 -49.8 -11.9 17.0 47.7 27 56 A E H > S+ 0 0 87 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.853 112.6 49.1 -59.0 -41.8 -11.6 13.6 49.4 28 57 A K H 4 S+ 0 0 93 2,-0.2 -1,-0.2 1,-0.2 -2,-0.2 0.863 121.4 33.5 -73.3 -37.8 -9.4 12.0 46.6 29 58 A I H >< S+ 0 0 2 -4,-2.0 3,-1.2 2,-0.2 7,-0.5 0.883 116.3 53.6 -82.9 -43.5 -7.0 14.9 46.4 30 59 A F H 3< S+ 0 0 25 -4,-3.1 6,-0.2 -5,-0.3 -3,-0.2 0.818 106.2 54.4 -63.2 -32.8 -6.9 16.0 50.1 31 60 A S T 3< S+ 0 0 95 -4,-1.3 2,-0.3 -5,-0.3 -1,-0.3 0.551 92.4 86.4 -83.8 -7.3 -6.1 12.5 51.2 32 61 A Q S <> S- 0 0 27 -3,-1.2 4,-2.8 -4,-0.1 5,-0.2 -0.698 82.1-129.0 -86.7 148.4 -3.0 12.3 48.9 33 62 A K H > S+ 0 0 73 -2,-0.3 4,-2.3 2,-0.2 5,-0.1 0.944 107.9 39.0 -66.5 -50.2 0.2 13.7 50.3 34 63 A L H > S+ 0 0 2 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.820 115.6 55.3 -69.2 -31.3 1.2 15.9 47.4 35 64 A G H > S+ 0 0 0 -6,-0.2 4,-2.8 2,-0.2 5,-0.2 0.978 110.4 44.0 -61.4 -57.2 -2.5 16.9 47.0 36 65 A Y H X S+ 0 0 36 -4,-2.8 4,-2.7 -7,-0.5 5,-0.2 0.906 113.4 52.5 -51.1 -46.9 -2.7 18.0 50.6 37 66 A L H X S+ 0 0 39 -4,-2.3 4,-1.3 1,-0.2 -1,-0.2 0.860 114.1 40.9 -64.4 -36.8 0.6 19.8 50.3 38 67 A L H X S+ 0 0 4 -4,-2.0 4,-2.1 -3,-0.2 -1,-0.2 0.850 115.3 51.9 -78.5 -34.9 -0.4 21.8 47.2 39 68 A F H X S+ 0 0 3 -4,-2.8 4,-2.1 -5,-0.2 -2,-0.2 0.878 109.5 48.9 -68.6 -37.4 -3.9 22.4 48.6 40 69 A R H X S+ 0 0 75 -4,-2.7 4,-3.3 -5,-0.2 5,-0.3 0.896 109.4 52.9 -68.8 -39.4 -2.6 23.8 51.9 41 70 A D H X S+ 0 0 46 -4,-1.3 4,-2.3 -5,-0.2 5,-0.3 0.935 111.3 47.1 -57.3 -47.3 -0.2 26.1 49.9 42 71 A F H X S+ 0 0 14 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.918 117.3 41.9 -59.3 -43.9 -3.2 27.4 48.0 43 72 A C H X S+ 0 0 0 -4,-2.1 4,-0.6 2,-0.2 8,-0.3 0.893 118.9 43.4 -76.8 -39.5 -5.3 27.9 51.1 44 73 A L H < S+ 0 0 27 -4,-3.3 -3,-0.2 -5,-0.2 -2,-0.2 0.906 129.1 24.9 -70.2 -43.0 -2.6 29.4 53.3 45 74 A N H < S+ 0 0 104 -4,-2.3 -2,-0.2 -5,-0.3 -3,-0.2 0.561 129.6 30.5-104.0 -10.5 -1.1 31.7 50.6 46 75 A H H < S+ 0 0 110 -4,-1.8 2,-0.3 -5,-0.3 -3,-0.2 0.281 110.5 48.6-137.8 11.0 -3.8 32.5 48.0 47 76 A L >X - 0 0 18 -4,-0.6 4,-1.5 -5,-0.1 3,-0.7 -0.757 52.1-169.2-158.6 103.6 -7.2 32.4 49.7 48 77 A E G >4 S+ 0 0 119 -2,-0.3 3,-0.6 1,-0.2 -1,-0.1 0.932 86.9 60.3 -62.2 -50.2 -7.9 34.3 52.9 49 78 A E G 34 S+ 0 0 109 1,-0.2 -1,-0.2 2,-0.1 4,-0.2 0.756 115.0 37.3 -47.2 -30.4 -11.3 32.8 53.6 50 79 A A G X> S+ 0 0 0 -3,-0.7 4,-1.8 -7,-0.2 3,-0.6 0.701 94.8 85.9 -97.1 -23.8 -9.7 29.3 53.7 51 80 A R H S+ 0 0 17 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.796 109.0 58.5 -70.5 -26.4 -7.4 30.0 59.1 53 82 A L H <> S+ 0 0 14 -3,-0.6 4,-2.2 -4,-0.2 -2,-0.2 0.913 111.0 42.4 -60.6 -45.1 -9.3 26.7 58.5 54 83 A V H X S+ 0 0 3 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.856 111.5 54.6 -73.0 -34.2 -6.1 25.1 57.3 55 84 A E H X S+ 0 0 52 -4,-2.1 4,-1.7 -5,-0.2 -1,-0.2 0.923 112.3 44.4 -60.3 -44.4 -4.0 26.6 60.0 56 85 A F H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 5,-0.2 0.909 107.9 57.5 -68.2 -45.0 -6.3 25.2 62.6 57 86 A Y H X S+ 0 0 30 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.928 109.0 47.0 -48.6 -50.1 -6.4 21.8 60.8 58 87 A E H X S+ 0 0 37 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.835 108.7 53.6 -67.0 -34.3 -2.6 21.6 61.2 59 88 A E H X S+ 0 0 54 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.907 109.9 48.2 -62.6 -42.0 -2.7 22.6 64.8 60 89 A I H X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.857 109.8 53.5 -65.9 -36.1 -5.2 19.8 65.5 61 90 A K H X S+ 0 0 62 -4,-2.0 4,-0.6 -5,-0.2 -1,-0.2 0.818 109.7 46.6 -69.1 -32.2 -2.9 17.4 63.5 62 91 A K H >< S+ 0 0 102 -4,-1.7 3,-0.6 2,-0.2 4,-0.4 0.869 111.4 52.9 -71.1 -40.5 0.1 18.4 65.7 63 92 A Y H >< S+ 0 0 0 -4,-2.2 3,-1.5 1,-0.2 -2,-0.2 0.897 101.5 59.7 -58.7 -44.3 -2.0 17.9 68.8 64 93 A E H 3< S+ 0 0 45 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.801 104.1 51.4 -56.0 -30.5 -3.1 14.4 67.7 65 94 A K T << S+ 0 0 136 -4,-0.6 -1,-0.3 -3,-0.6 2,-0.2 0.498 76.5 121.0 -89.8 -5.9 0.6 13.3 67.7 66 95 A L < - 0 0 23 -3,-1.5 6,-0.1 -4,-0.4 -3,-0.0 -0.453 52.1-153.9 -64.5 128.4 1.4 14.5 71.2 67 96 A E + 0 0 53 -2,-0.2 2,-0.3 4,-0.0 -1,-0.1 0.852 66.0 55.5 -78.7 -40.0 2.6 11.5 73.1 68 97 A T S > S- 0 0 54 1,-0.1 4,-1.7 0, 0.0 5,-0.1 -0.677 73.5-130.8-103.4 150.7 1.8 12.3 76.8 69 98 A E H > S+ 0 0 105 -2,-0.3 4,-2.0 2,-0.2 5,-0.1 0.807 110.4 58.1 -63.3 -31.7 -1.5 13.3 78.4 70 99 A E H > S+ 0 0 131 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.933 105.1 49.2 -64.1 -50.4 0.3 16.3 80.1 71 100 A E H > S+ 0 0 76 1,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.880 113.2 47.9 -49.4 -46.7 1.4 17.6 76.7 72 101 A R H X S+ 0 0 33 -4,-1.7 4,-2.1 2,-0.2 5,-0.2 0.794 109.3 52.0 -71.4 -32.2 -2.2 17.3 75.5 73 102 A V H X S+ 0 0 36 -4,-2.0 4,-1.2 2,-0.2 -2,-0.2 0.906 115.2 43.4 -66.6 -42.3 -3.6 19.0 78.6 74 103 A A H X S+ 0 0 51 -4,-2.5 4,-1.6 2,-0.2 -2,-0.2 0.926 118.8 42.7 -66.3 -45.7 -1.1 21.9 77.9 75 104 A R H X S+ 0 0 64 -4,-2.7 4,-2.6 2,-0.2 5,-0.2 0.858 107.0 56.8 -76.6 -39.6 -1.7 22.1 74.2 76 105 A S H X S+ 0 0 1 -4,-2.1 4,-2.7 1,-0.2 5,-0.2 0.938 109.3 50.3 -57.1 -44.7 -5.5 21.7 74.1 77 106 A R H X S+ 0 0 109 -4,-1.2 4,-2.5 -5,-0.2 -2,-0.2 0.921 110.7 48.0 -51.9 -51.8 -5.6 24.8 76.4 78 107 A E H < S+ 0 0 116 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.846 113.3 48.6 -60.7 -39.4 -3.2 26.7 74.1 79 108 A I H >< S+ 0 0 5 -4,-2.6 3,-1.2 2,-0.2 6,-0.4 0.910 113.8 44.1 -69.5 -45.1 -5.4 25.8 71.1 80 109 A F H 3< S+ 0 0 26 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.876 118.9 44.2 -68.9 -36.2 -8.7 26.7 72.7 81 110 A D T 3< S+ 0 0 103 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.102 98.2 115.8 -91.4 21.9 -7.2 30.0 74.0 82 111 A S S <> S- 0 0 26 -3,-1.2 4,-1.3 1,-0.1 -3,-0.1 -0.366 76.0-117.8 -93.3 169.7 -5.5 30.7 70.7 83 112 A Y H > S+ 0 0 167 2,-0.2 4,-2.6 1,-0.2 5,-0.1 0.877 114.0 54.2 -71.1 -41.6 -5.8 33.4 68.1 84 113 A I H > S+ 0 0 18 2,-0.2 4,-3.4 1,-0.2 5,-0.2 0.877 106.7 53.3 -60.7 -39.9 -6.9 31.0 65.3 85 114 A M H > S+ 0 0 0 -6,-0.4 4,-2.1 2,-0.2 -1,-0.2 0.899 111.0 45.5 -60.4 -43.5 -9.7 29.8 67.6 86 115 A K H X S+ 0 0 93 -4,-1.3 4,-1.9 2,-0.2 -2,-0.2 0.823 112.6 51.9 -71.2 -35.0 -10.9 33.3 68.1 87 116 A E H < S+ 0 0 50 -4,-2.6 -2,-0.2 2,-0.2 -1,-0.2 0.977 115.8 40.5 -55.9 -57.7 -10.6 33.9 64.4 88 117 A L H < S+ 0 0 5 -4,-3.4 7,-0.5 1,-0.2 3,-0.3 0.738 119.3 45.1 -71.4 -25.1 -12.7 30.8 63.6 89 118 A L H < S+ 0 0 60 -4,-2.1 2,-0.6 1,-0.2 -1,-0.2 0.769 116.3 49.2 -83.0 -28.1 -15.1 31.5 66.5 90 119 A A S < S+ 0 0 82 -4,-1.9 2,-0.3 -5,-0.2 -1,-0.2 -0.670 100.1 76.9-111.7 73.7 -15.3 35.2 65.5 91 120 A C S S- 0 0 66 -2,-0.6 -3,-0.1 -3,-0.3 -4,-0.0 -0.903 92.6 -82.6-159.2-173.8 -16.0 35.0 61.8 92 121 A S S S+ 0 0 108 1,-0.3 -4,-0.1 -2,-0.3 -1,-0.0 0.803 122.3 35.4 -72.8 -32.5 -18.7 34.3 59.1 93 122 A H S S+ 0 0 129 3,-0.0 -1,-0.3 -3,-0.0 3,-0.1 -0.598 85.2 164.9-122.8 68.5 -18.4 30.5 59.2 94 123 A P - 0 0 58 0, 0.0 -5,-0.2 0, 0.0 -6,-0.1 -0.160 43.7 -77.7 -81.2 175.9 -17.6 29.7 62.9 95 124 A F - 0 0 21 -7,-0.5 25,-0.1 1,-0.1 2,-0.0 -0.349 55.1-101.5 -71.3 154.9 -17.8 26.4 64.7 96 125 A S > - 0 0 38 1,-0.1 4,-2.2 -3,-0.1 5,-0.2 -0.251 24.8-112.1 -75.7 165.2 -21.2 25.1 65.8 97 126 A K H > S+ 0 0 179 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.917 117.0 44.3 -63.3 -45.4 -22.7 25.3 69.2 98 127 A S H > S+ 0 0 64 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.848 111.4 52.5 -72.4 -35.4 -22.6 21.5 69.8 99 128 A A H > S+ 0 0 2 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.956 115.5 41.3 -61.8 -49.4 -19.0 21.1 68.4 100 129 A T H X S+ 0 0 20 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.824 115.2 52.4 -66.0 -34.1 -17.8 23.9 70.7 101 130 A E H X S+ 0 0 124 -4,-2.0 4,-1.7 -5,-0.2 -2,-0.2 0.882 110.9 46.9 -67.8 -42.0 -19.9 22.5 73.6 102 131 A H H X S+ 0 0 110 -4,-2.7 4,-2.2 2,-0.2 5,-0.2 0.948 117.5 40.7 -63.6 -52.2 -18.5 19.0 73.1 103 132 A V H X S+ 0 0 0 -4,-2.4 4,-3.0 1,-0.2 -2,-0.2 0.963 117.8 47.8 -62.2 -52.5 -14.9 20.1 73.0 104 133 A Q H X S+ 0 0 110 -4,-2.3 4,-2.4 -5,-0.2 -1,-0.2 0.787 110.0 55.4 -57.7 -32.0 -15.3 22.7 75.7 105 134 A G H X S+ 0 0 31 -4,-1.7 4,-1.1 2,-0.2 -1,-0.2 0.944 114.0 37.5 -66.5 -51.1 -17.1 20.0 77.8 106 135 A H H <>S+ 0 0 72 -4,-2.2 5,-2.2 2,-0.2 -2,-0.2 0.864 117.0 53.9 -63.4 -39.1 -14.2 17.5 77.6 107 136 A L H ><5S+ 0 0 8 -4,-3.0 3,-1.9 1,-0.2 -2,-0.2 0.937 105.7 50.8 -67.9 -48.6 -11.7 20.3 77.9 108 137 A G H 3<5S+ 0 0 60 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.817 111.1 50.0 -54.6 -35.5 -13.2 21.7 81.1 109 138 A K T 3<5S- 0 0 151 -4,-1.1 -1,-0.3 2,-0.1 -2,-0.2 0.292 113.2-119.5 -88.8 8.6 -13.0 18.2 82.6 110 139 A K T < 5 + 0 0 148 -3,-1.9 2,-0.8 1,-0.2 -3,-0.2 0.757 67.0 140.0 55.8 29.7 -9.3 17.8 81.6 111 140 A Q < + 0 0 91 -5,-2.2 -1,-0.2 -6,-0.1 -2,-0.1 -0.903 23.1 171.6 -98.1 105.1 -10.1 14.7 79.4 112 141 A V + 0 0 4 -2,-0.8 -40,-0.1 -3,-0.1 -36,-0.1 -0.642 2.2 173.2-121.7 70.1 -7.8 15.4 76.5 113 142 A P > - 0 0 45 0, 0.0 3,-1.9 0, 0.0 4,-0.2 -0.373 48.7-102.9 -71.4 160.4 -7.7 12.4 74.2 114 143 A P T 3 S+ 0 0 55 0, 0.0 3,-0.3 0, 0.0 -48,-0.1 0.731 122.5 50.0 -53.2 -27.8 -5.9 12.6 70.8 115 144 A D T > S+ 0 0 99 1,-0.2 3,-1.3 2,-0.1 -51,-0.0 -0.032 71.2 120.4-105.7 29.0 -9.2 13.0 69.0 116 145 A L T < S+ 0 0 4 -3,-1.9 -1,-0.2 1,-0.2 -10,-0.1 0.833 79.8 43.6 -55.9 -37.9 -10.6 15.9 71.2 117 146 A F T >> S+ 0 0 0 -3,-0.3 4,-2.2 1,-0.2 3,-1.0 0.238 76.7 113.0 -98.6 13.4 -10.9 18.2 68.2 118 147 A Q H <> S+ 0 0 61 -3,-1.3 4,-2.1 1,-0.3 -1,-0.2 0.820 74.3 57.5 -60.3 -32.6 -12.4 15.7 65.8 119 148 A P H 3> S+ 0 0 34 0, 0.0 4,-1.7 0, 0.0 -1,-0.3 0.863 109.1 47.8 -61.0 -34.1 -15.7 17.6 65.7 120 149 A Y H <> S+ 0 0 0 -3,-1.0 4,-2.4 2,-0.2 -2,-0.2 0.881 108.3 52.6 -73.3 -41.9 -13.7 20.6 64.6 121 150 A I H X S+ 0 0 11 -4,-2.2 4,-2.4 2,-0.2 5,-0.2 0.944 110.8 49.0 -54.4 -48.3 -11.8 18.7 61.9 122 151 A E H X S+ 0 0 115 -4,-2.1 4,-1.7 1,-0.2 -2,-0.2 0.896 112.6 45.7 -63.2 -44.3 -15.1 17.4 60.4 123 152 A E H X S+ 0 0 52 -4,-1.7 4,-1.0 2,-0.2 -1,-0.2 0.867 110.3 55.2 -66.4 -36.0 -16.7 20.9 60.4 124 153 A I H >X S+ 0 0 0 -4,-2.4 4,-1.2 1,-0.2 3,-0.8 0.950 110.1 46.0 -59.3 -48.2 -13.5 22.3 58.8 125 154 A C H 3X S+ 0 0 22 -4,-2.4 4,-1.9 1,-0.3 -1,-0.2 0.809 105.2 58.7 -67.9 -33.7 -13.7 19.8 56.0 126 155 A Q H 3< S+ 0 0 128 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.719 112.4 43.6 -64.5 -23.9 -17.4 20.4 55.4 127 156 A N H << S+ 0 0 66 -4,-1.0 5,-0.4 -3,-0.8 -2,-0.2 0.631 109.6 54.2 -92.3 -22.3 -16.4 24.0 54.7 128 157 A L H <>S+ 0 0 0 -4,-1.2 5,-1.0 -5,-0.1 2,-0.3 0.770 97.2 75.3 -81.9 -30.8 -13.3 23.3 52.6 129 158 A R T <5S+ 0 0 88 -4,-1.9 2,-0.4 3,-0.2 3,-0.2 -0.646 92.5 31.8 -76.9 141.0 -15.4 21.1 50.2 130 159 A G T >5S+ 0 0 40 -2,-0.3 4,-2.4 1,-0.2 3,-0.3 -0.934 127.1 3.4 109.8-136.9 -17.5 23.2 47.9 131 160 A D H >5S+ 0 0 96 -2,-0.4 4,-1.7 1,-0.2 -1,-0.2 0.782 128.9 54.4 -60.5 -33.8 -16.4 26.7 46.8 132 161 A V H >5S+ 0 0 12 -5,-0.4 4,-1.1 2,-0.2 -1,-0.2 0.922 112.8 44.1 -68.6 -41.5 -12.9 26.6 48.4 133 162 A F H >> S+ 0 0 110 1,-0.2 4,-1.4 2,-0.2 -1,-0.1 0.444 110.5 73.4 -84.5 -0.7 -2.3 26.8 39.4 141 170 A K H 3> S+ 0 0 26 -5,-0.3 4,-1.5 2,-0.2 -1,-0.2 0.753 98.3 47.4 -77.1 -27.9 -1.7 24.6 42.5 142 171 A F H <> S+ 0 0 0 -6,-0.7 4,-2.7 -3,-0.7 -2,-0.2 0.881 108.3 55.7 -73.8 -39.5 -4.1 22.1 40.9 143 172 A T H X S+ 0 0 19 -4,-1.0 4,-1.5 1,-0.2 -2,-0.2 0.903 108.9 47.4 -52.3 -43.3 -2.1 22.6 37.6 144 173 A R H X S+ 0 0 10 -4,-1.4 4,-2.2 2,-0.2 5,-0.2 0.881 108.0 54.5 -70.2 -36.3 1.0 21.6 39.7 145 174 A F H X S+ 0 0 4 -4,-1.5 4,-3.1 1,-0.2 -2,-0.2 0.929 107.7 51.4 -57.0 -44.9 -0.8 18.6 41.1 146 175 A C H X S+ 0 0 0 -4,-2.7 4,-1.9 1,-0.2 -2,-0.2 0.843 107.5 52.8 -59.2 -38.1 -1.5 17.6 37.5 147 176 A Q H X S+ 0 0 2 -4,-1.5 4,-1.2 2,-0.2 -2,-0.2 0.892 114.7 40.1 -65.0 -44.4 2.2 17.9 36.7 148 177 A W H X S+ 0 0 2 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.890 113.4 54.2 -69.8 -43.9 3.3 15.7 39.6 149 178 A K H X S+ 0 0 19 -4,-3.1 4,-2.6 1,-0.2 -2,-0.2 0.884 104.5 56.2 -59.6 -37.5 0.4 13.3 39.0 150 179 A N H < S+ 0 0 10 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.911 109.0 46.2 -58.7 -43.1 1.6 13.0 35.4 151 180 A V H >< S+ 0 0 29 -4,-1.2 3,-1.6 1,-0.2 -2,-0.2 0.936 111.4 51.7 -66.5 -46.9 5.0 11.9 36.6 152 181 A E H >< S+ 0 0 15 -4,-2.7 3,-1.3 1,-0.3 -2,-0.2 0.944 109.8 49.2 -50.7 -53.4 3.6 9.5 39.1 153 182 A L T 3< S+ 0 0 59 -4,-2.6 -1,-0.3 1,-0.3 441,-0.2 0.366 109.6 53.0 -75.0 3.6 1.4 7.8 36.5 154 183 A N T < S+ 0 0 46 -3,-1.6 2,-0.4 -4,-0.2 -1,-0.3 0.076 72.3 140.5-124.2 24.4 4.3 7.4 34.0 155 184 A I < + 0 0 36 -3,-1.3 2,-0.3 1,-0.1 -3,-0.0 -0.569 18.2 169.7 -73.2 120.7 6.8 5.6 36.3 156 185 A H - 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