==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/SIGNALING PROTEIN/INHIBITOR 07-DEC-10 3PVW . COMPND 2 MOLECULE: BETA-ADRENERGIC RECEPTOR KINASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR D.M.THAL,J.J.TESMER . 1012 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 49204.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 680 67.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 214 21.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 13 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 10 1.0 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 . 3 0.3 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 . 57 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 93 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 269 26.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 1.5 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 2 5 0 2 2 1 2 1 3 1 3 1 1 1 0 0 1 1 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 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 . 4 2 3 2 18 5 1 1 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 1 0 1 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 29 A S 0 0 169 0, 0.0 183,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -96.5 27.5 16.8 70.7 2 30 A K + 0 0 151 181,-0.1 3,-0.0 2,-0.1 0, 0.0 0.786 360.0 89.6 -96.8 -35.1 28.3 16.3 66.9 3 31 A K S S- 0 0 139 1,-0.1 2,-0.5 182,-0.0 181,-0.1 -0.235 84.2-109.3 -63.8 150.8 29.8 19.6 65.9 4 32 A I - 0 0 17 180,-0.3 2,-0.5 473,-0.0 -1,-0.1 -0.750 36.6-166.6 -78.7 128.2 33.5 20.2 66.1 5 33 A L - 0 0 137 -2,-0.5 476,-0.0 -3,-0.0 0, 0.0 -0.982 10.1-142.2-120.8 120.5 34.1 22.7 68.9 6 34 A L - 0 0 14 -2,-0.5 143,-0.1 475,-0.1 142,-0.1 -0.539 22.2-112.9 -78.6 144.2 37.5 24.4 69.2 7 35 A P - 0 0 31 0, 0.0 -1,-0.1 0, 0.0 141,-0.1 -0.202 46.5 -85.3 -61.7 168.0 39.0 25.1 72.7 8 36 A E > - 0 0 82 1,-0.1 3,-2.1 140,-0.0 4,-0.2 -0.313 40.7-102.5 -73.8 162.8 39.4 28.7 73.7 9 37 A P G > S+ 0 0 46 0, 0.0 3,-2.1 0, 0.0 4,-0.2 0.759 114.6 75.8 -58.9 -25.7 42.5 30.8 72.7 10 38 A S G > S+ 0 0 32 1,-0.3 3,-1.4 2,-0.2 4,-0.5 0.692 74.3 80.3 -58.6 -21.4 44.0 30.4 76.2 11 39 A I G <> S+ 0 0 12 -3,-2.1 4,-2.7 1,-0.3 -1,-0.3 0.683 72.2 82.6 -57.7 -19.4 44.8 26.8 75.3 12 40 A R H <> S+ 0 0 54 -3,-2.1 4,-3.3 1,-0.2 5,-0.3 0.871 81.5 60.3 -50.3 -43.1 47.9 28.3 73.5 13 41 A S H <> S+ 0 0 23 -3,-1.4 4,-0.8 1,-0.2 -1,-0.2 0.912 114.1 33.9 -57.7 -47.7 49.8 28.4 76.8 14 42 A V H > S+ 0 0 0 -4,-0.5 4,-1.6 500,-0.3 -1,-0.2 0.894 121.1 49.3 -70.7 -42.9 49.7 24.7 77.3 15 43 A M H X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 5,-0.2 0.862 102.2 57.7 -73.9 -38.6 49.8 23.8 73.6 16 44 A Q H X S+ 0 0 42 -4,-3.3 4,-2.3 1,-0.2 -1,-0.2 0.897 109.4 46.9 -59.8 -39.9 52.8 25.9 72.5 17 45 A K H X S+ 0 0 66 -4,-0.8 4,-2.5 -5,-0.3 -1,-0.2 0.897 108.4 55.9 -68.6 -41.5 55.0 24.2 75.1 18 46 A Y H X S+ 0 0 33 -4,-1.6 4,-0.7 1,-0.2 -2,-0.2 0.934 113.9 39.4 -52.4 -50.9 53.7 20.7 74.1 19 47 A L H ><>S+ 0 0 1 -4,-2.2 5,-2.4 2,-0.2 3,-0.8 0.902 113.5 54.7 -68.4 -41.5 54.8 21.3 70.4 20 48 A E H ><5S+ 0 0 104 -4,-2.3 3,-1.1 1,-0.3 -2,-0.2 0.866 104.5 53.8 -65.1 -41.0 58.0 23.1 71.3 21 49 A D H 3<5S+ 0 0 75 -4,-2.5 -1,-0.3 1,-0.2 -2,-0.2 0.755 111.8 47.7 -58.7 -27.5 59.1 20.2 73.5 22 50 A R T <<5S- 0 0 107 -3,-0.8 -1,-0.2 -4,-0.7 -2,-0.2 0.345 115.2-112.8 -98.9 4.5 58.5 18.0 70.4 23 51 A G T < 5S+ 0 0 43 -3,-1.1 -3,-0.2 -4,-0.3 6,-0.2 0.567 80.1 125.5 77.9 12.5 60.4 20.2 67.8 24 52 A E < + 0 0 43 -5,-2.4 2,-0.7 1,-0.2 -4,-0.2 0.314 42.4 84.9 -94.3 6.6 57.1 21.0 66.1 25 53 A V + 0 0 26 -6,-0.3 2,-0.3 -5,-0.1 -1,-0.2 -0.621 68.1 110.6-104.9 69.7 57.2 24.9 66.2 26 54 A T S > S- 0 0 53 -2,-0.7 4,-2.2 1,-0.1 5,-0.3 -0.949 77.3-116.9-133.4 156.8 59.3 25.2 63.1 27 55 A F H > S+ 0 0 12 -2,-0.3 4,-2.8 103,-0.2 5,-0.4 0.950 113.1 51.0 -58.2 -55.2 58.5 26.6 59.6 28 56 A E H > S+ 0 0 146 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.946 113.5 45.0 -44.2 -57.0 59.1 23.3 57.8 29 57 A K H 4 S+ 0 0 101 -6,-0.2 -1,-0.2 1,-0.2 -2,-0.2 0.852 121.6 35.7 -65.3 -39.6 56.9 21.3 60.2 30 58 A I H >< S+ 0 0 1 -4,-2.2 3,-1.7 2,-0.2 7,-0.3 0.941 114.9 53.9 -78.9 -49.2 54.0 23.8 60.3 31 59 A F H 3< S+ 0 0 20 -4,-2.8 -2,-0.2 -5,-0.3 -3,-0.2 0.792 107.2 52.7 -52.9 -36.2 54.1 24.9 56.6 32 60 A S T 3< S+ 0 0 96 -4,-1.8 2,-0.4 -5,-0.4 -1,-0.3 0.462 90.4 88.6 -87.8 -3.6 54.0 21.3 55.3 33 61 A Q S <> S- 0 0 25 -3,-1.7 4,-2.8 -4,-0.2 5,-0.2 -0.777 83.8-127.5 -85.5 142.8 50.8 20.5 57.4 34 62 A K H > S+ 0 0 85 -2,-0.4 4,-2.1 1,-0.2 -1,-0.1 0.936 108.3 39.3 -58.1 -48.5 47.7 21.3 55.4 35 63 A L H > S+ 0 0 3 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.828 114.0 54.8 -74.7 -32.2 46.1 23.4 58.2 36 64 A G H > S+ 0 0 0 -6,-0.3 4,-2.4 2,-0.2 5,-0.2 0.897 109.4 48.9 -61.9 -41.3 49.4 24.9 59.1 37 65 A Y H X S+ 0 0 41 -4,-2.8 4,-3.0 -7,-0.3 -2,-0.2 0.944 110.2 49.7 -64.1 -47.3 49.8 26.0 55.6 38 66 A L H X S+ 0 0 41 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.845 115.1 43.5 -62.4 -35.2 46.3 27.5 55.4 39 67 A L H X S+ 0 0 4 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.859 114.0 49.2 -81.2 -37.3 46.7 29.5 58.6 40 68 A F H X S+ 0 0 2 -4,-2.4 4,-2.1 -5,-0.2 -2,-0.2 0.903 110.2 55.0 -62.2 -42.9 50.2 30.7 57.7 41 69 A R H X S+ 0 0 70 -4,-3.0 4,-2.6 -5,-0.2 -2,-0.2 0.942 107.4 47.0 -52.4 -55.7 48.8 31.7 54.3 42 70 A D H X S+ 0 0 32 -4,-1.9 4,-2.1 1,-0.2 5,-0.4 0.926 110.4 53.5 -57.5 -46.2 46.0 33.9 55.9 43 71 A F H X S+ 0 0 10 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.904 113.3 42.2 -55.5 -46.7 48.5 35.6 58.2 44 72 A C H X S+ 0 0 0 -4,-2.1 4,-0.6 1,-0.2 7,-0.3 0.894 116.4 47.7 -67.7 -41.9 50.8 36.5 55.3 45 73 A L H < S+ 0 0 36 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.783 128.6 19.4 -70.1 -28.7 48.0 37.6 52.9 46 74 A K H < S+ 0 0 126 -4,-2.1 -3,-0.2 -5,-0.2 -2,-0.2 0.688 127.0 37.5-117.3 -27.5 46.1 39.8 55.4 47 75 A H H < S+ 0 0 105 -4,-2.1 2,-0.2 -5,-0.4 -3,-0.2 0.177 111.7 41.7-128.1 16.3 48.3 40.8 58.3 48 76 A L >X - 0 0 31 -4,-0.6 3,-1.0 -5,-0.1 4,-0.7 -0.689 56.3-164.4-161.9 110.1 51.9 41.5 57.0 49 77 A E T 34 S+ 0 0 129 1,-0.2 -5,-0.1 -2,-0.2 -4,-0.0 0.379 85.9 64.2 -84.3 6.2 52.4 43.3 53.8 50 78 A E T 34 S+ 0 0 137 2,-0.1 -1,-0.2 1,-0.1 4,-0.2 0.629 107.8 40.1 -96.7 -21.7 56.0 42.3 53.4 51 79 A A T <> S+ 0 0 0 -3,-1.0 4,-1.9 -7,-0.3 5,-0.3 0.478 92.8 88.5-102.1 -9.1 55.2 38.6 53.0 52 80 A K H X S+ 0 0 71 -4,-0.7 4,-2.3 1,-0.2 5,-0.2 0.961 90.2 44.8 -49.2 -60.1 52.1 39.1 50.8 53 81 A P H > S+ 0 0 45 0, 0.0 4,-2.8 0, 0.0 -1,-0.2 0.814 109.9 57.5 -59.4 -32.4 54.0 39.0 47.5 54 82 A L H > S+ 0 0 13 2,-0.2 4,-2.3 -4,-0.2 -2,-0.2 0.937 111.0 39.3 -63.9 -51.3 56.0 36.0 48.6 55 83 A V H X S+ 0 0 2 -4,-1.9 4,-3.1 2,-0.2 5,-0.2 0.871 115.6 53.5 -68.4 -37.3 53.1 33.7 49.2 56 84 A E H X S+ 0 0 66 -4,-2.3 4,-2.2 -5,-0.3 -2,-0.2 0.969 111.1 46.2 -58.4 -52.0 51.3 35.1 46.2 57 85 A F H X S+ 0 0 1 -4,-2.8 4,-1.8 1,-0.2 -2,-0.2 0.903 113.1 51.7 -54.6 -43.4 54.4 34.3 44.1 58 86 A Y H X S+ 0 0 29 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.929 110.8 44.9 -61.6 -50.4 54.5 30.8 45.8 59 87 A E H X S+ 0 0 37 -4,-3.1 4,-1.8 1,-0.2 -1,-0.2 0.810 110.8 55.2 -68.2 -29.4 50.8 29.9 45.0 60 88 A E H X S+ 0 0 67 -4,-2.2 4,-1.8 -5,-0.2 -1,-0.2 0.844 108.4 48.2 -70.3 -34.8 51.2 31.2 41.5 61 89 A I H X S+ 0 0 1 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.909 109.7 53.4 -67.5 -40.8 54.2 28.8 41.0 62 90 A K H X S+ 0 0 60 -4,-2.2 4,-0.9 2,-0.2 -2,-0.2 0.843 108.7 48.0 -66.9 -35.2 52.2 25.9 42.5 63 91 A K H >< S+ 0 0 120 -4,-1.8 3,-0.6 2,-0.2 -1,-0.2 0.918 111.1 53.3 -63.1 -44.8 49.4 26.6 40.0 64 92 A Y H >< S+ 0 0 0 -4,-1.8 3,-1.8 1,-0.2 -2,-0.2 0.896 100.2 60.5 -57.4 -43.9 52.1 26.7 37.3 65 93 A E H 3< S+ 0 0 49 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.878 104.7 50.5 -49.3 -40.2 53.5 23.3 38.4 66 94 A K T << S+ 0 0 148 -4,-0.9 2,-0.5 -3,-0.6 -1,-0.3 0.224 75.9 125.3 -90.4 11.8 50.1 21.7 37.6 67 95 A L < - 0 0 40 -3,-1.8 6,-0.1 1,-0.1 -3,-0.0 -0.652 53.0-147.0 -80.5 123.3 49.6 23.1 34.0 68 96 A E + 0 0 55 -2,-0.5 2,-0.2 4,-0.1 -1,-0.1 0.763 68.4 42.2 -62.4 -39.0 49.0 20.1 31.6 69 97 A T S > S- 0 0 59 1,-0.1 4,-1.1 0, 0.0 -2,-0.0 -0.739 74.7-120.7-118.1 161.2 50.6 21.3 28.4 70 98 A E H > S+ 0 0 119 -2,-0.2 4,-1.1 1,-0.2 -1,-0.1 0.780 112.3 54.4 -67.6 -29.3 53.7 23.1 27.2 71 99 A E H > S+ 0 0 157 2,-0.2 4,-1.7 1,-0.2 3,-0.3 0.891 103.9 52.4 -73.8 -41.5 51.7 26.0 25.6 72 100 A E H > S+ 0 0 82 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.855 110.8 52.8 -57.7 -32.0 49.8 26.7 28.8 73 101 A R H X S+ 0 0 32 -4,-1.1 4,-2.0 2,-0.2 -2,-0.2 0.752 102.1 54.7 -79.5 -29.9 53.2 27.0 30.4 74 102 A L H X S+ 0 0 33 -4,-1.1 4,-1.5 -3,-0.3 -1,-0.2 0.938 113.4 44.1 -64.2 -45.4 54.7 29.5 27.9 75 103 A V H X S+ 0 0 89 -4,-1.7 4,-1.3 2,-0.2 -2,-0.2 0.918 118.5 41.2 -67.5 -45.1 51.8 31.8 28.6 76 104 A C H X S+ 0 0 23 -4,-2.0 4,-2.4 2,-0.2 5,-0.2 0.887 109.3 57.0 -75.8 -41.0 51.8 31.4 32.4 77 105 A S H X S+ 0 0 0 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.900 108.4 50.5 -52.9 -41.6 55.6 31.5 32.9 78 106 A R H X S+ 0 0 111 -4,-1.5 4,-2.1 -5,-0.2 -1,-0.2 0.858 108.7 50.6 -66.5 -37.4 55.6 34.9 31.1 79 107 A E H X S+ 0 0 118 -4,-1.3 4,-2.2 2,-0.2 5,-0.3 0.904 112.6 46.8 -65.7 -42.2 52.8 36.2 33.4 80 108 A I H X>S+ 0 0 2 -4,-2.4 4,-2.9 2,-0.2 5,-0.8 0.981 112.5 48.5 -63.2 -57.6 54.7 35.2 36.5 81 109 A F H X>S+ 0 0 35 -4,-2.4 5,-2.8 1,-0.2 4,-1.1 0.876 113.1 49.7 -49.1 -44.9 58.0 36.6 35.3 82 110 A D H <>S+ 0 0 104 -4,-2.1 5,-1.6 3,-0.2 -1,-0.2 0.918 122.4 29.4 -60.4 -48.1 56.3 39.9 34.4 83 111 A T H <5S+ 0 0 73 -4,-2.2 5,-0.4 3,-0.2 -2,-0.2 0.948 131.0 30.0 -83.9 -51.8 54.5 40.3 37.8 84 112 A Y H <5S+ 0 0 27 -4,-2.9 -3,-0.2 -5,-0.3 -2,-0.1 0.652 131.1 26.1 -89.4 -16.0 56.7 38.7 40.3 85 113 A I T XS+ 0 0 10 -5,-0.4 5,-3.1 2,-0.2 6,-0.4 0.917 110.5 52.0 -59.4 -44.0 59.5 43.9 41.7 89 117 A L H ><5S+ 0 0 74 -4,-1.9 3,-1.2 1,-0.2 -2,-0.2 0.923 112.3 44.9 -57.1 -46.7 62.9 44.6 40.2 90 118 A L H 3<5S+ 0 0 136 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.790 113.5 51.1 -67.4 -28.6 61.7 47.9 38.8 91 119 A A T 3<5S- 0 0 46 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.392 110.3-125.0 -85.0 3.1 59.9 48.6 42.1 92 120 A C T < 5S+ 0 0 125 -3,-1.2 -3,-0.2 -4,-0.2 -2,-0.1 0.768 83.6 114.1 55.6 29.5 63.2 47.8 44.0 93 121 A S < + 0 0 68 -5,-3.1 -4,-0.2 -6,-0.2 -1,-0.1 -0.052 33.7 116.6-119.5 27.8 61.1 45.3 45.9 94 122 A H - 0 0 25 -6,-0.4 2,-1.6 -5,-0.1 -9,-0.0 -0.814 38.6-174.1-112.6 96.2 62.7 42.0 44.8 95 123 A P + 0 0 68 0, 0.0 2,-0.3 0, 0.0 33,-0.1 -0.404 49.1 105.8 -87.5 61.9 64.4 40.0 47.6 96 124 A F - 0 0 23 -2,-1.6 -2,-0.1 32,-0.0 25,-0.1 -0.960 68.7 -94.5-144.1 158.8 65.9 37.2 45.4 97 125 A S > - 0 0 33 -2,-0.3 4,-2.0 1,-0.1 5,-0.1 -0.197 24.8-121.3 -77.7 158.9 69.3 36.2 44.1 98 126 A K H > S+ 0 0 155 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.895 115.4 54.4 -60.0 -42.7 71.0 37.0 40.8 99 127 A S H > S+ 0 0 83 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.868 106.7 51.5 -64.6 -35.2 71.2 33.3 40.0 100 128 A A H > S+ 0 0 1 2,-0.2 4,-1.5 1,-0.2 5,-0.2 0.945 111.0 47.3 -62.1 -49.0 67.5 32.9 40.6 101 129 A I H X S+ 0 0 29 -4,-2.0 4,-1.8 1,-0.2 -2,-0.2 0.901 116.3 44.9 -59.0 -42.0 66.7 35.8 38.2 102 130 A E H X S+ 0 0 102 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.794 105.7 59.3 -75.9 -31.6 69.1 34.4 35.6 103 131 A H H X S+ 0 0 72 -4,-2.0 4,-1.0 -5,-0.2 -1,-0.2 0.915 113.8 37.0 -62.9 -43.3 68.0 30.7 35.8 104 132 A V H X S+ 0 0 0 -4,-1.5 4,-3.3 2,-0.2 -2,-0.2 0.922 120.0 45.8 -77.3 -47.9 64.4 31.6 34.9 105 133 A Q H X S+ 0 0 89 -4,-1.8 4,-2.5 -5,-0.2 5,-0.2 0.920 109.9 55.0 -61.9 -47.1 65.2 34.3 32.3 106 134 A G H X S+ 0 0 38 -4,-2.5 4,-0.5 1,-0.2 -1,-0.2 0.825 115.8 39.9 -54.5 -35.8 67.9 32.1 30.7 107 135 A H H ><>S+ 0 0 52 -4,-1.0 5,-1.9 -5,-0.2 3,-0.6 0.906 112.6 54.3 -77.7 -47.5 65.3 29.4 30.2 108 136 A L H ><5S+ 0 0 25 -4,-3.3 3,-1.2 1,-0.2 -2,-0.2 0.821 103.1 55.9 -59.6 -36.9 62.4 31.7 29.3 109 137 A V H 3<5S+ 0 0 112 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.849 109.5 47.4 -65.3 -33.0 64.3 33.3 26.4 110 138 A K T <<5S- 0 0 154 -3,-0.6 -1,-0.2 -4,-0.5 -2,-0.2 0.305 114.2-119.9 -88.3 8.5 64.9 29.9 24.9 111 139 A K T < 5 + 0 0 126 -3,-1.2 2,-0.6 1,-0.2 -3,-0.2 0.833 63.8 145.2 56.5 37.9 61.1 29.0 25.4 112 140 A Q < + 0 0 72 -5,-1.9 -1,-0.2 -38,-0.0 -2,-0.1 -0.941 18.0 170.0-109.2 117.1 61.9 26.0 27.7 113 141 A V + 0 0 6 -2,-0.6 -40,-0.1 -3,-0.1 -36,-0.1 -0.583 2.0 172.5-135.3 65.3 59.2 25.8 30.3 114 142 A P > - 0 0 44 0, 0.0 3,-2.4 0, 0.0 4,-0.2 -0.427 46.9-108.7 -72.7 155.5 59.4 22.6 32.3 115 143 A P T 3 S+ 0 0 50 0, 0.0 3,-0.4 0, 0.0 -48,-0.1 0.730 120.0 51.6 -56.3 -26.9 57.0 22.3 35.3 116 144 A D T > S+ 0 0 104 1,-0.2 3,-2.1 2,-0.1 -51,-0.1 0.236 72.4 116.7 -96.4 12.4 60.0 22.7 37.7 117 145 A L T < S+ 0 0 1 -3,-2.4 -1,-0.2 1,-0.3 4,-0.2 0.843 77.7 47.2 -42.0 -43.2 61.2 25.9 36.1 118 146 A F T 3> S+ 0 0 1 -3,-0.4 4,-1.5 -4,-0.2 -1,-0.3 0.195 75.3 113.1 -94.9 19.1 60.6 27.9 39.2 119 147 A Q H <> S+ 0 0 72 -3,-2.1 4,-2.0 1,-0.2 3,-0.5 0.910 74.4 53.5 -60.7 -46.5 62.2 25.5 41.8 120 148 A P H > S+ 0 0 35 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.907 109.7 50.9 -55.3 -38.7 65.1 27.8 42.8 121 149 A Y H > S+ 0 0 0 -3,-0.2 4,-1.4 2,-0.2 -2,-0.2 0.793 104.8 57.3 -67.5 -29.6 62.5 30.5 43.5 122 150 A I H X S+ 0 0 13 -4,-1.5 4,-2.1 -3,-0.5 -1,-0.2 0.950 108.3 45.9 -62.6 -49.2 60.5 28.1 45.7 123 151 A E H X S+ 0 0 123 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.836 113.6 48.8 -63.6 -36.4 63.5 27.5 47.9 124 152 A E H X S+ 0 0 47 -4,-1.7 4,-1.7 -5,-0.2 -1,-0.2 0.715 107.2 55.6 -77.6 -23.9 64.3 31.2 48.2 125 153 A I H X S+ 0 0 0 -4,-1.4 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216 A M E +B 181 0A 60 -2,-0.2 57,-0.5 -7,-0.2 2,-0.3 -0.628 37.0 166.7 -82.2 131.0 31.8 9.4 53.7 189 217 A Y E -BC 180 244A 2 -9,-2.8 -9,-2.5 -2,-0.4 2,-0.5 -0.860 37.0-111.9-134.8 169.8 34.1 6.4 54.5 190 218 A A E -BC 179 243A 6 53,-3.3 53,-3.9 -2,-0.3 2,-0.6 -0.928 26.8-153.9-103.8 129.9 34.2 2.7 54.4 191 219 A M E -BC 178 242A 3 -13,-2.2 -13,-1.3 -2,-0.5 2,-0.6 -0.922 5.6-166.4-107.9 111.4 34.4 0.9 57.8 192 220 A K E -BC 177 241A 27 49,-2.4 49,-2.0 -2,-0.6 2,-0.4 -0.889 10.5-171.3 -92.5 122.2 36.0 -2.5 57.9 193 221 A C E - C 0 240A 12 -17,-2.7 47,-0.2 -2,-0.6 -17,-0.2 -0.658 1.8-173.1-126.2 77.8 35.1 -4.1 61.3 194 222 A L E - C 0 239A 14 45,-1.3 45,-2.8 -2,-0.4 2,-0.4 -0.338 20.8-126.2 -72.1 148.3 36.9 -7.3 62.1 195 223 A D E > - C 0 238A 16 -21,-1.8 4,-1.7 43,-0.2 43,-0.2 -0.819 2.5-148.3-102.1 133.1 36.0 -9.4 65.2 196 224 A K H > S+ 0 0 27 41,-1.4 4,-2.3 -2,-0.4 5,-0.2 0.826 95.7 59.8 -67.2 -34.8 38.5 -10.5 67.8 197 225 A K H > S+ 0 0 128 40,-0.5 4,-1.6 1,-0.2 3,-0.3 0.985 109.7 40.5 -55.6 -60.1 36.7 -13.7 68.7 198 226 A R H > S+ 0 0 90 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.828 113.0 57.2 -60.7 -35.3 36.9 -15.1 65.1 199 227 A I H X>S+ 0 0 0 -4,-1.7 5,-1.9 1,-0.2 4,-0.6 0.904 109.2 43.4 -60.9 -46.5 40.5 -13.8 64.8 200 228 A K H <5S+ 0 0 68 -4,-2.3 -1,-0.2 -3,-0.3 -2,-0.2 0.758 114.2 53.1 -72.5 -24.5 41.8 -15.7 67.9 201 229 A M H <5S+ 0 0 139 -4,-1.6 -2,-0.2 -5,-0.2 -1,-0.2 0.953 116.8 35.2 -73.9 -52.9 39.8 -18.7 66.6 202 230 A K H <5S- 0 0 129 -4,-3.0 -2,-0.2 -5,-0.1 -1,-0.2 0.571 108.2-132.3 -71.6 -10.0 41.3 -18.7 63.2 203 231 A Q T <5 + 0 0 157 -4,-0.6 3,-0.4 -5,-0.2 -3,-0.2 0.808 60.3 141.4 60.1 34.0 44.6 -17.6 64.9 204 232 A G >< + 0 0 6 -5,-1.9 4,-1.7 -6,-0.2 3,-0.2 -0.239 18.2 122.8 -99.8 43.7 45.0 -14.8 62.3 205 233 A E H > S+ 0 0 45 -6,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.869 73.2 56.2 -74.0 -35.6 46.2 -12.2 64.8 206 234 A T H > S+ 0 0 108 -3,-0.4 4,-1.4 2,-0.2 -1,-0.2 0.732 106.5 54.6 -62.0 -25.0 49.4 -11.8 62.7 207 235 A L H > S+ 0 0 77 2,-0.2 4,-2.3 -3,-0.2 -2,-0.2 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