==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-AUG-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/RNA 07-DEC-11 3UZS . COMPND 2 MOLECULE: BETA-ADRENERGIC RECEPTOR KINASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR J.J.G.TESMER,V.M.TESMER . 1015 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 54101.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 632 62.3 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 . 191 18.8 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 . 9 0.9 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 . 6 0.6 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 . 75 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 255 25.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 1.6 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 3 1 2 0 0 3 1 2 2 2 2 0 0 0 0 2 2 0 1 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 . 5 2 3 8 8 5 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 . 0 2 7 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 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 0 180 0, 0.0 2,-0.4 0, 0.0 183,-0.1 0.000 360.0 360.0 360.0 171.6 109.9 -10.1 54.4 2 30 A K + 0 0 151 181,-0.3 2,-0.3 160,-0.1 0, 0.0 -0.967 360.0 167.5-119.9 133.6 107.6 -11.5 51.6 3 31 A K - 0 0 142 -2,-0.4 2,-0.1 2,-0.0 181,-0.1 -0.966 36.5-114.4-145.7 132.1 108.6 -12.7 48.2 4 32 A I - 0 0 81 -2,-0.3 2,-0.4 1,-0.1 148,-0.0 -0.383 28.5-147.5 -71.9 138.9 106.5 -14.6 45.7 5 33 A L - 0 0 147 -2,-0.1 -1,-0.1 1,-0.1 464,-0.0 -0.879 11.2-125.5-113.2 137.2 107.5 -18.2 45.0 6 34 A L - 0 0 28 -2,-0.4 143,-0.1 1,-0.1 142,-0.1 -0.155 19.3-119.2 -72.6 166.6 107.0 -20.0 41.7 7 35 A P - 0 0 34 0, 0.0 -1,-0.1 0, 0.0 141,-0.1 -0.033 38.1 -91.6 -83.9-161.8 105.2 -23.4 41.0 8 36 A E > - 0 0 93 139,-0.1 3,-1.7 -2,-0.1 4,-0.3 -0.647 33.1 -95.7-114.7 169.0 106.9 -26.5 39.5 9 37 A P T > S+ 0 0 62 0, 0.0 3,-2.4 0, 0.0 4,-0.5 0.814 110.6 80.4 -46.9 -38.6 107.5 -28.1 36.1 10 38 A S T 3> S+ 0 0 11 1,-0.3 4,-0.7 2,-0.2 492,-0.4 0.749 83.3 63.8 -40.7 -34.3 104.3 -30.3 36.6 11 39 A I H X> S+ 0 0 6 -3,-1.7 4,-4.7 1,-0.2 3,-0.8 0.851 85.0 74.4 -63.8 -36.6 102.3 -27.2 35.6 12 40 A R H <> S+ 0 0 62 -3,-2.4 4,-3.1 -4,-0.3 5,-0.4 0.909 97.4 45.4 -41.2 -60.4 103.8 -27.3 32.1 13 41 A S H 34 S+ 0 0 26 -4,-0.5 4,-0.5 1,-0.2 -1,-0.3 0.778 121.3 41.2 -59.6 -28.8 101.7 -30.3 31.0 14 42 A V H X S+ 0 0 2 -4,-4.7 4,-1.9 2,-0.2 3,-0.5 0.961 105.0 62.3 -73.0 -56.0 99.4 -25.1 31.4 16 44 A Q H 3X S+ 0 0 69 -4,-3.1 4,-2.2 1,-0.3 -1,-0.2 0.861 108.8 46.1 -32.3 -53.5 100.6 -25.9 27.9 17 45 A K H 3> S+ 0 0 48 -4,-0.5 4,-1.8 -5,-0.4 -1,-0.3 0.888 104.8 61.0 -61.9 -42.9 97.1 -27.3 27.2 18 46 A Y H << S+ 0 0 34 -4,-1.3 4,-0.5 -3,-0.5 -2,-0.2 0.916 111.7 38.9 -49.8 -48.8 95.4 -24.3 28.9 19 47 A L H >X>S+ 0 0 16 -4,-1.9 4,-2.8 1,-0.2 3,-1.7 0.915 106.9 62.5 -69.8 -47.5 97.0 -21.9 26.3 20 48 A E H 3<5S+ 0 0 110 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.840 103.1 51.0 -49.5 -40.9 96.6 -24.2 23.3 21 49 A D T 3<5S+ 0 0 93 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.707 114.0 45.3 -71.6 -21.7 92.8 -24.1 23.6 22 50 A R T <45S- 0 0 142 -3,-1.7 -2,-0.2 -4,-0.5 -1,-0.2 0.923 105.9-127.3 -81.9 -54.5 92.9 -20.3 23.8 23 51 A G T <5S+ 0 0 45 -4,-2.8 2,-1.8 6,-0.0 6,-0.2 0.257 73.5 119.4 124.1 -8.1 95.3 -19.7 20.9 24 52 A E < + 0 0 83 -5,-0.5 -4,-0.1 1,-0.2 -5,-0.1 -0.206 49.6 105.8 -80.3 49.9 98.0 -17.5 22.4 25 53 A V + 0 0 46 -2,-1.8 2,-0.3 -6,-0.2 -1,-0.2 -0.301 51.2 92.7-133.3 43.5 100.5 -20.2 21.6 26 54 A T S > S- 0 0 58 -3,-0.1 4,-0.9 1,-0.0 5,-0.4 -0.884 87.3 -86.3-134.8 167.6 102.7 -19.2 18.7 27 55 A F H > S+ 0 0 20 -2,-0.3 4,-1.7 1,-0.2 3,-0.5 0.829 126.0 39.9 -30.5 -52.8 105.9 -17.5 17.8 28 56 A E H > S+ 0 0 95 1,-0.2 4,-3.7 2,-0.2 5,-0.3 0.960 110.9 52.4 -72.1 -53.9 104.2 -14.1 17.9 29 57 A K H 4 S+ 0 0 74 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.361 118.7 37.3 -76.9 5.0 101.9 -14.4 20.9 30 58 A I H < S+ 0 0 9 -4,-0.9 6,-0.5 -3,-0.5 -1,-0.2 0.653 118.7 46.0-110.9 -54.4 104.7 -15.5 23.2 31 59 A F H < S+ 0 0 56 -4,-1.7 6,-0.3 -5,-0.4 -2,-0.2 0.934 106.2 61.8 -48.9 -54.0 107.5 -13.3 21.8 32 60 A S S < S+ 0 0 59 -4,-3.7 2,-0.8 -5,-0.2 -1,-0.2 0.895 88.1 77.4 -38.7 -54.7 105.1 -10.4 21.9 33 61 A Q S >> S- 0 0 12 -5,-0.3 3,-1.6 -3,-0.2 4,-0.7 -0.518 93.0-137.1 -60.2 104.8 104.9 -10.9 25.6 34 62 A K H >> S+ 0 0 120 -2,-0.8 4,-2.8 1,-0.3 3,-0.6 0.726 103.9 54.6 -48.4 -32.2 108.3 -9.3 26.4 35 63 A L H 3> S+ 0 0 7 2,-0.2 4,-3.4 1,-0.2 5,-0.5 0.945 103.2 56.2 -60.4 -48.5 109.1 -12.1 28.9 36 64 A G H <4 S+ 0 0 1 -3,-1.6 -2,-0.2 -6,-0.5 -1,-0.2 0.551 111.2 44.6 -62.2 -10.4 108.4 -14.5 26.0 37 65 A Y H S+ 0 0 14 -5,-0.5 4,-4.8 2,-0.2 5,-0.3 0.969 111.8 40.4 -65.5 -53.7 113.5 -16.7 24.1 41 69 A R H X>S+ 0 0 76 -4,-3.4 4,-3.4 2,-0.2 5,-0.6 0.942 113.1 54.7 -60.1 -46.5 116.7 -14.7 23.9 42 70 A D H X5S+ 0 0 2 -4,-3.0 4,-0.8 -5,-0.2 -1,-0.2 0.853 120.4 34.5 -54.8 -35.7 117.9 -16.4 27.1 43 71 A F H X>S+ 0 0 19 -4,-1.7 4,-2.6 -5,-0.2 5,-1.2 0.957 119.1 48.2 -76.4 -61.8 117.3 -19.6 25.2 44 72 A C H <5S+ 0 0 0 -4,-4.8 8,-0.6 1,-0.2 7,-0.3 0.774 120.8 36.6 -55.1 -36.1 118.2 -18.6 21.7 45 73 A L H <5S+ 0 0 29 -4,-3.4 -1,-0.2 -5,-0.3 7,-0.2 0.962 122.2 38.3 -77.9 -58.4 121.5 -17.0 22.8 46 74 A K H << - 0 0 40 -5,-1.2 4,-0.6 1,-0.1 -1,-0.2 -0.662 55.7-166.5 -89.0 143.8 121.0 -22.6 20.4 49 77 A E T 4 S+ 0 0 104 -2,-0.3 -1,-0.1 2,-0.2 -5,-0.0 0.567 83.4 57.3-109.8 -16.1 123.8 -21.4 18.1 50 78 A E T 4 S+ 0 0 138 2,-0.1 4,-0.3 1,-0.1 -1,-0.1 0.689 111.7 48.0 -80.4 -21.9 121.9 -20.9 14.8 51 79 A A T >> S+ 0 0 0 -7,-0.3 3,-1.1 2,-0.1 4,-1.1 0.841 96.0 70.4 -85.0 -39.3 119.7 -18.5 16.7 52 80 A K H >X S+ 0 0 83 -4,-0.6 4,-2.2 -8,-0.6 3,-0.7 0.856 96.8 51.4 -48.5 -45.7 122.4 -16.5 18.5 53 81 A P H 3> S+ 0 0 41 0, 0.0 4,-0.7 0, 0.0 -1,-0.3 0.797 111.2 48.0 -65.8 -27.1 123.5 -14.7 15.2 54 82 A L H <> S+ 0 0 14 -3,-1.1 4,-1.4 -4,-0.3 -2,-0.2 0.582 111.9 51.3 -85.8 -13.0 120.0 -13.6 14.4 55 83 A V H X S+ 0 0 40 -4,-1.4 4,-1.5 1,-0.2 3,-0.5 0.892 115.0 51.9 -65.5 -43.4 117.9 -8.3 15.9 59 87 A E H 3X S+ 0 0 42 -4,-4.2 4,-1.1 1,-0.2 -1,-0.2 0.891 110.0 49.2 -59.7 -41.5 119.0 -6.7 19.1 60 88 A E H 3< S+ 0 0 49 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.622 104.4 59.3 -77.9 -13.9 121.5 -4.4 17.3 61 89 A I H XX S+ 0 0 3 -4,-0.9 4,-1.8 -3,-0.5 3,-1.1 0.838 105.3 49.2 -76.0 -37.3 118.7 -3.4 14.8 62 90 A K H 3X S+ 0 0 78 -4,-1.5 4,-1.5 1,-0.2 -2,-0.2 0.799 107.7 55.6 -65.9 -30.3 116.7 -2.1 17.7 63 91 A K H 3< S+ 0 0 99 -4,-1.1 -1,-0.2 2,-0.2 -2,-0.2 0.248 107.1 51.7 -87.2 10.6 119.8 -0.2 18.8 64 92 A Y H X4 S+ 0 0 0 -3,-1.1 3,-0.9 -5,-0.1 -2,-0.2 0.720 111.4 41.6-105.4 -48.9 120.0 1.4 15.3 65 93 A E H 3< S+ 0 0 38 -4,-1.8 -2,-0.2 1,-0.2 -3,-0.1 0.882 114.0 54.1 -64.0 -39.2 116.4 2.8 15.1 66 94 A K T 3< S+ 0 0 138 -4,-1.5 -1,-0.2 -5,-0.2 -3,-0.1 0.332 83.6 119.2 -82.8 7.5 116.5 3.9 18.8 67 95 A L < - 0 0 50 -3,-0.9 -3,-0.1 1,-0.1 6,-0.1 -0.293 67.0-124.1 -71.5 159.2 119.7 6.0 18.3 68 96 A E S S+ 0 0 123 4,-0.0 2,-0.1 350,-0.0 -1,-0.1 0.997 79.2 26.2 -68.8 -68.1 119.7 9.8 18.9 69 97 A T - 0 0 55 1,-0.1 -2,-0.1 0, 0.0 0, 0.0 -0.329 63.3-129.8-100.4 174.7 121.0 11.4 15.7 70 98 A E S S+ 0 0 106 2,-0.2 4,-0.5 1,-0.1 3,-0.2 0.710 105.6 58.1 -93.1 -28.0 121.1 10.7 12.0 71 99 A E S S+ 0 0 165 1,-0.2 4,-0.5 2,-0.2 3,-0.4 0.808 108.5 46.6 -71.5 -31.8 124.9 11.5 11.6 72 100 A E S > S+ 0 0 100 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.512 95.5 77.7 -86.1 -8.6 125.7 8.8 14.2 73 101 A R H > S+ 0 0 33 -3,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.762 91.4 53.2 -68.6 -27.6 123.3 6.4 12.5 74 102 A L H > S+ 0 0 39 -4,-0.5 4,-1.6 -3,-0.4 5,-0.2 0.877 99.6 60.6 -75.8 -39.0 125.9 5.7 9.8 75 103 A V H > S+ 0 0 108 -4,-0.5 4,-1.0 1,-0.2 -2,-0.2 0.871 111.6 40.4 -54.3 -40.4 128.7 4.8 12.3 76 104 A C H X S+ 0 0 15 -4,-1.0 4,-1.6 2,-0.2 -1,-0.2 0.705 108.1 61.6 -82.4 -23.0 126.5 1.9 13.5 77 105 A S H X S+ 0 0 1 -4,-0.9 4,-1.9 2,-0.2 -2,-0.2 0.749 107.2 45.6 -72.7 -24.8 125.4 1.0 10.0 78 106 A R H X S+ 0 0 91 -4,-1.6 4,-1.2 2,-0.2 -2,-0.2 0.780 109.1 55.0 -84.6 -33.4 129.0 0.3 9.1 79 107 A E H < S+ 0 0 106 -4,-1.0 4,-0.3 -5,-0.2 5,-0.3 0.859 115.9 40.8 -61.4 -38.7 129.5 -1.6 12.4 80 108 A I H >X>S+ 0 0 6 -4,-1.6 3,-2.2 3,-0.2 4,-0.8 0.987 111.7 50.1 -71.6 -65.2 126.5 -3.8 11.3 81 109 A F H 3X>S+ 0 0 24 -4,-1.9 5,-2.9 1,-0.3 4,-0.7 0.871 105.0 55.8 -47.6 -57.5 127.1 -4.3 7.6 82 110 A D H 3<5S+ 0 0 108 -4,-1.2 -1,-0.3 4,-0.2 -2,-0.1 0.699 129.4 13.8 -48.1 -26.6 130.7 -5.5 7.8 83 111 A T H <>>S+ 0 0 59 -3,-2.2 4,-1.8 -4,-0.3 5,-0.8 0.664 123.6 42.4-112.3 -83.2 129.5 -8.2 10.2 84 112 A Y H <5S+ 0 0 49 -4,-0.8 -3,-0.2 -5,-0.3 -2,-0.1 0.644 132.4 18.8 -59.3 -26.3 125.9 -9.1 10.7 85 113 A I T X>X5S+ 0 0 134 -4,-1.8 4,-1.9 -6,-0.4 3,-1.2 0.821 101.7 60.4 -46.9 -42.9 129.9 -12.0 7.5 88 116 A E H 34XS+ 0 0 25 -5,-0.8 5,-2.1 1,-0.3 -1,-0.3 0.761 105.7 47.1 -64.1 -25.9 127.0 -14.4 7.0 89 117 A L H <<5S+ 0 0 108 -3,-1.9 -1,-0.3 -4,-0.6 -2,-0.2 0.540 105.9 59.8 -89.3 -8.3 127.6 -14.5 3.2 90 118 A L H <<5S+ 0 0 126 -3,-1.2 -2,-0.2 -4,-0.8 -1,-0.1 0.838 116.2 32.6 -82.1 -39.8 131.3 -15.0 3.9 91 119 A A T <5S- 0 0 73 -4,-1.9 -2,-0.2 0, 0.0 -3,-0.2 0.477 113.1-133.4 -83.9 -10.6 130.5 -18.2 5.8 92 120 A C T 5S+ 0 0 99 -5,-0.3 -3,-0.3 1,-0.1 -4,-0.1 0.738 71.1 123.0 64.2 28.2 127.6 -18.4 3.2 93 121 A S < + 0 0 72 -5,-2.1 -4,-0.2 -6,-0.2 -1,-0.1 -0.314 32.8 121.0-109.0 43.7 125.0 -19.2 5.9 94 122 A H - 0 0 20 -6,-0.3 -9,-0.0 1,-0.1 -8,-0.0 -0.928 36.9-179.4-108.0 103.6 122.9 -16.2 5.0 95 123 A P + 0 0 85 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 0.324 38.4 125.9 -84.5 9.4 119.4 -17.5 4.0 96 124 A F - 0 0 13 1,-0.1 5,-0.1 2,-0.0 -2,-0.1 -0.425 61.0-106.5 -85.5 145.2 118.0 -14.1 3.2 97 125 A S > - 0 0 51 -2,-0.1 4,-1.6 3,-0.1 5,-0.2 -0.069 22.6-110.8 -74.7 166.2 116.4 -13.3 -0.1 98 126 A K H >> S+ 0 0 158 1,-0.2 4,-2.5 2,-0.2 3,-0.8 0.956 115.2 43.6 -59.5 -63.3 117.6 -11.2 -3.1 99 127 A S H 34 S+ 0 0 95 1,-0.3 4,-0.4 2,-0.2 -1,-0.2 0.706 110.3 61.9 -60.0 -21.6 115.3 -8.2 -2.9 100 128 A A H 3> S+ 0 0 4 2,-0.1 4,-0.9 1,-0.1 3,-0.4 0.920 111.2 35.7 -64.1 -46.9 115.9 -8.3 0.8 101 129 A I H S+ 0 0 81 -3,-0.4 4,-1.3 -4,-0.4 -1,-0.2 0.906 114.1 36.5 -80.3 -50.0 117.4 -2.8 -0.5 104 132 A V H X S+ 0 0 1 -4,-0.9 4,-0.9 2,-0.2 -2,-0.2 0.799 116.3 57.4 -71.4 -31.3 120.1 -2.5 2.2 105 133 A Q H >X S+ 0 0 103 -4,-2.5 3,-0.8 2,-0.2 4,-0.5 0.980 110.0 39.8 -60.4 -60.9 122.8 -2.8 -0.5 106 134 A G H 3X S+ 0 0 37 -4,-1.1 4,-1.1 1,-0.2 3,-0.2 0.778 119.0 46.9 -63.1 -30.4 121.8 0.1 -2.6 107 135 A H H 3< S+ 0 0 48 -4,-1.3 -1,-0.2 2,-0.2 -2,-0.2 0.469 105.0 56.5 -99.0 -5.0 120.9 2.4 0.3 108 136 A L H << S+ 0 0 15 -4,-0.9 -1,-0.2 -3,-0.8 -2,-0.2 0.363 112.0 43.8-103.9 -0.2 124.0 1.9 2.5 109 137 A V H < S+ 0 0 117 -4,-0.5 -2,-0.2 -3,-0.2 -3,-0.1 0.627 116.2 46.1 -99.2 -35.0 126.3 2.9 -0.4 110 138 A K S < S- 0 0 147 -4,-1.1 -2,-0.2 -5,-0.2 -3,-0.2 0.719 106.2-150.8 -64.3 -27.5 123.8 5.8 -1.0 111 139 A K + 0 0 112 1,-0.2 -3,-0.1 -5,-0.0 -4,-0.1 0.140 42.3 145.5 80.3 -17.9 124.1 6.0 2.8 112 140 A Q - 0 0 97 1,-0.1 -1,-0.2 5,-0.0 -2,-0.1 -0.337 33.1-160.9 -57.8 126.6 120.6 7.4 3.5 113 141 A V + 0 0 5 -3,-0.1 -1,-0.1 -43,-0.1 -40,-0.1 -0.668 19.2 165.7-121.0 74.0 119.6 5.9 6.9 114 142 A P > - 0 0 58 0, 0.0 3,-1.0 0, 0.0 4,-0.3 -0.546 48.6-115.5 -76.2 156.4 115.8 6.0 7.5 115 143 A P G > S+ 0 0 24 0, 0.0 3,-0.5 0, 0.0 -50,-0.1 0.786 115.8 61.1 -64.6 -26.0 114.7 3.8 10.4 116 144 A D G 3 S+ 0 0 116 1,-0.2 -3,-0.0 2,-0.1 -51,-0.0 -0.194 77.8 95.9 -91.9 39.6 112.7 1.7 7.9 117 145 A L G < S+ 0 0 2 -3,-1.0 -1,-0.2 2,-0.1 4,-0.1 0.858 90.2 35.0 -87.7 -47.6 115.9 0.8 6.0 118 146 A F S <> S+ 0 0 2 -3,-0.5 4,-1.4 -4,-0.3 3,-0.3 0.148 91.4 100.7 -95.2 18.1 116.5 -2.6 7.8 119 147 A Q H > S+ 0 0 71 1,-0.2 4,-1.6 2,-0.2 5,-0.2 0.891 71.3 59.6 -76.5 -41.6 112.7 -3.5 8.1 120 148 A P H 4 S+ 0 0 44 0, 0.0 4,-0.3 0, 0.0 -1,-0.2 0.764 110.3 47.4 -57.4 -23.2 112.5 -5.9 5.1 121 149 A Y H >> S+ 0 0 0 -3,-0.3 4,-2.1 2,-0.2 3,-1.0 0.857 101.6 62.1 -79.2 -42.4 115.1 -8.0 7.0 122 150 A I H 3X S+ 0 0 13 -4,-1.4 4,-1.9 1,-0.3 -3,-0.1 0.842 103.5 50.8 -54.2 -36.3 113.3 -7.8 10.4 123 151 A E H 3X S+ 0 0 126 -4,-1.6 4,-1.7 1,-0.2 -1,-0.3 0.735 110.9 48.8 -73.2 -24.7 110.4 -9.6 8.8 124 152 A E H <> S+ 0 0 36 -3,-1.0 4,-2.0 -4,-0.3 -2,-0.2 0.700 105.2 57.3 -84.4 -25.1 112.8 -12.3 7.5 125 153 A I H X S+ 0 0 1 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.955 113.3 41.2 -62.0 -52.0 114.4 -12.6 10.9 126 154 A C H X S+ 0 0 44 -4,-1.9 4,-1.3 1,-0.2 -2,-0.2 0.931 110.6 60.2 -54.5 -50.1 110.9 -13.4 12.2 127 155 A Q H < S+ 0 0 118 -4,-1.7 3,-0.4 1,-0.2 4,-0.3 0.888 111.9 35.4 -48.0 -53.8 110.3 -15.6 9.1 128 156 A N H >< S+ 0 0 53 -4,-2.0 3,-1.2 1,-0.2 4,-0.5 0.868 112.8 59.0 -72.3 -38.0 113.2 -18.0 9.8 129 157 A L H 3<>S+ 0 0 14 -4,-1.9 5,-0.9 1,-0.3 -1,-0.2 0.606 100.3 55.8 -73.2 -14.9 112.9 -18.0 13.6 130 158 A R T 3<5S+ 0 0 129 -4,-1.3 -1,-0.3 -3,-0.4 5,-0.2 0.544 95.9 72.4 -92.7 -8.3 109.3 -19.3 13.7 131 159 A G T <>5S- 0 0 39 -3,-1.2 4,-0.7 -4,-0.3 -2,-0.1 0.930 124.8 -26.6 -67.2 -96.2 110.1 -22.4 11.6 132 160 A D H >5S+ 0 0 119 -4,-0.5 4,-2.7 2,-0.2 5,-0.4 0.929 131.9 65.8 -86.0 -56.8 112.1 -24.9 13.6 133 161 A V H >5S+ 0 0 21 -5,-0.3 4,-1.7 1,-0.3 -3,-0.2 0.803 103.9 49.0 -33.3 -51.7 113.8 -22.6 16.2 134 162 A F H >> S- 0 0 9 -3,-1.5 4,-1.1 -2,-1.2 -3,-0.1 -0.747 76.8-128.2-115.0 159.4 113.3 -26.2 26.5 141 169 A D H > S+ 0 0 86 -2,-0.3 4,-2.0 2,-0.2 -1,-0.1 0.620 113.2 57.5 -76.3 -17.6 113.5 -25.9 30.3 142 170 A K H > S+ 0 0 25 2,-0.2 4,-2.4 -5,-0.2 -1,-0.2 0.887 101.2 53.8 -74.3 -45.9 113.3 -22.1 29.8 143 171 A F H > S+ 0 0 11 -6,-0.4 4,-1.6 1,-0.2 -2,-0.2 0.872 110.0 50.2 -53.5 -37.9 110.0 -22.6 28.0 144 172 A T H X S+ 0 0 17 -4,-1.1 4,-2.0 2,-0.2 -2,-0.2 0.968 104.5 55.8 -58.3 -57.0 109.1 -24.5 31.1 145 173 A R H X S+ 0 0 3 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.820 103.4 57.4 -48.2 -37.5 110.2 -21.6 33.3 146 174 A F H >X S+ 0 0 9 -4,-2.4 4,-3.1 2,-0.2 3,-0.7 0.989 103.8 49.8 -55.4 -61.6 107.8 -19.4 31.4 147 175 A C H 3X S+ 0 0 1 -4,-1.6 4,-2.6 1,-0.3 -2,-0.2 0.867 108.0 55.5 -44.7 -44.1 104.8 -21.6 32.3 148 176 A Q H 3X S+ 0 0 4 -4,-2.0 4,-1.2 1,-0.2 -1,-0.3 0.914 113.2 41.1 -56.8 -46.3 106.0 -21.4 35.9 149 177 A W H S+ 0 0 81 -2,-0.2 3,-0.8 2,-0.1 -2,-0.0 0.605 110.5 64.5-102.3 -20.6 95.6 -5.3 51.5 161 189 A N T 3 S+ 0 0 160 1,-0.2 -1,-0.1 3,-0.1 -3,-0.0 0.746 93.3 64.4 -68.1 -25.9 98.2 -7.3 53.6 162 190 A D T 3 S+ 0 0 59 20,-0.0 21,-0.9 21,-0.0 22,-0.3 0.665 96.1 74.1 -70.0 -17.6 100.3 -7.5 50.4 163 191 A F B < -A 182 0A 31 -3,-0.8 2,-0.5 19,-0.1 19,-0.2 -0.747 63.4-154.3-107.7 148.3 100.8 -3.8 50.4 164 192 A S - 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