==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 15-JUL-10 3NYO . COMPND 2 MOLECULE: G PROTEIN-COUPLED RECEPTOR KINASE 6; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.J.G.TESMER,P.SINGH . 1106 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 56672.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 739 66.8 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 . 91 8.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 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 . 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 . 53 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 147 13.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 389 35.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 24 2.2 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 7 3 7 4 0 2 7 4 1 5 1 5 2 0 0 0 2 0 0 0 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 . 5 6 3 0 4 2 1 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 2 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 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 2 A E >> 0 0 170 0, 0.0 3,-1.5 0, 0.0 4,-0.6 0.000 360.0 360.0 360.0 -63.9 -73.0 -6.9 15.5 2 3 A L H 3> + 0 0 128 1,-0.2 4,-1.6 2,-0.1 0, 0.0 0.773 360.0 63.8 -15.6 -60.3 -72.2 -5.9 11.9 3 4 A E H 3> S+ 0 0 136 1,-0.2 4,-1.6 2,-0.2 5,-0.3 0.782 97.5 50.9 -51.2 -47.9 -74.0 -2.6 12.3 4 5 A N H <> S+ 0 0 21 -3,-1.5 4,-2.1 1,-0.2 -1,-0.2 0.977 109.6 45.1 -58.5 -66.1 -71.8 -1.0 15.0 5 6 A I H X S+ 0 0 90 -4,-0.6 4,-2.3 2,-0.2 5,-0.2 0.799 112.0 60.6 -50.0 -34.6 -68.3 -1.4 13.5 6 7 A V H >X S+ 0 0 70 -4,-1.6 4,-2.6 2,-0.2 3,-0.8 0.985 107.4 36.0 -54.1 -82.6 -69.8 -0.2 10.2 7 8 A A H 3X S+ 0 0 22 -4,-1.6 4,-2.7 1,-0.3 182,-0.2 0.762 116.2 59.9 -49.1 -31.1 -71.1 3.3 11.1 8 9 A N H 3X S+ 0 0 30 -4,-2.1 4,-1.5 -5,-0.3 -1,-0.3 0.955 109.3 38.4 -61.7 -54.2 -68.0 3.7 13.3 9 10 A T H X S+ 0 0 64 -4,-2.6 4,-1.7 -5,-0.2 3,-0.6 0.963 105.6 47.3 -50.1 -58.9 -67.8 5.2 8.2 11 12 A L H 3X S+ 0 0 9 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.832 107.6 56.8 -55.2 -38.6 -67.6 8.2 10.5 12 13 A L H 3X S+ 0 0 33 -4,-1.5 4,-1.8 2,-0.2 -1,-0.2 0.866 104.5 51.4 -66.0 -38.0 -63.8 8.0 10.8 13 14 A K H S+ 0 0 140 -4,-1.8 4,-2.1 -3,-0.6 5,-1.9 0.925 112.0 46.9 -62.0 -46.7 -63.4 8.2 7.0 14 15 A A H <5S+ 0 0 12 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.909 114.3 46.3 -62.5 -44.0 -65.6 11.3 6.9 15 16 A R H <5S+ 0 0 50 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.799 114.9 52.3 -67.6 -29.3 -63.7 12.8 9.9 16 17 A E H <5S- 0 0 128 -4,-1.8 -2,-0.2 -5,-0.2 -3,-0.2 0.996 136.7 -57.3 -67.7 -77.4 -60.4 11.8 8.1 17 18 A G T <5 - 0 0 44 -4,-2.1 2,-0.7 1,-0.1 7,-0.2 0.473 62.3-141.0-146.4 -27.4 -60.8 13.3 4.6 18 19 A G S S-A 22 0A 32 3,-1.1 3,-0.7 -2,-0.7 2,-0.6 -0.247 93.6-103.6-122.9 44.3 -63.8 11.0 -0.7 20 21 A G T 3 S+ 0 0 60 1,-0.3 -1,-0.2 4,-0.0 0, 0.0 -0.658 100.1 12.3 85.1-115.7 -60.3 12.0 -2.0 21 22 A N T 3 S+ 0 0 160 -2,-0.6 2,-1.2 1,-0.2 -1,-0.3 0.955 121.5 65.8 -63.2 -54.9 -60.1 15.2 -4.1 22 23 A R B < S-A 19 0A 118 -3,-0.7 2,-2.5 3,-0.1 -3,-1.1 -0.614 89.8-141.3 -69.4 95.3 -63.6 16.2 -3.1 23 24 A K S S- 0 0 125 -2,-1.2 -5,-0.2 1,-0.3 3,-0.1 -0.388 76.5 -46.3 -64.6 78.6 -63.1 16.8 0.6 24 25 A G S S+ 0 0 7 -2,-2.5 184,-0.3 1,-0.2 -1,-0.3 0.184 107.9 139.0 77.1 -16.4 -66.4 15.3 1.5 25 26 A K - 0 0 25 182,-0.3 -1,-0.2 1,-0.1 181,-0.2 -0.308 59.9-111.3 -64.9 138.5 -68.1 17.4 -1.3 26 27 A S > - 0 0 16 179,-2.4 3,-1.6 178,-0.1 4,-0.2 -0.447 30.0-112.7 -67.0 143.3 -70.7 15.7 -3.4 27 28 A K T 3 S+ 0 0 181 1,-0.3 -1,-0.1 -2,-0.1 -2,-0.1 0.307 114.3 44.5 -66.3 13.3 -69.6 15.1 -7.0 28 29 A K T >> S+ 0 0 121 2,-0.0 4,-1.5 3,-0.0 3,-0.5 0.004 71.6 119.4-143.9 35.4 -72.2 17.7 -8.2 29 30 A W H <> + 0 0 29 -3,-1.6 4,-2.4 1,-0.2 5,-0.2 0.916 64.0 69.0 -69.3 -45.7 -71.8 20.6 -5.8 30 31 A R H 34 S+ 0 0 123 1,-0.3 -1,-0.2 -4,-0.2 -3,-0.1 0.806 107.3 44.3 -43.9 -32.3 -70.8 23.2 -8.3 31 32 A Q H X4 S+ 0 0 119 -3,-0.5 3,-2.0 1,-0.2 -1,-0.3 0.913 106.8 56.1 -79.3 -48.1 -74.4 22.8 -9.5 32 33 A M H 3< S+ 0 0 70 -4,-1.5 -2,-0.2 1,-0.3 -1,-0.2 0.802 116.4 40.4 -50.2 -31.7 -76.0 22.8 -6.0 33 34 A L T 3< S+ 0 0 14 -4,-2.4 -1,-0.3 173,-0.1 2,-0.3 -0.068 79.2 143.6-113.2 28.6 -74.3 26.2 -5.5 34 35 A Q < - 0 0 91 -3,-2.0 -3,-0.1 -5,-0.2 594,-0.0 -0.554 54.4-114.2 -68.8 132.2 -74.8 27.7 -9.0 35 36 A F - 0 0 37 -2,-0.3 2,-0.1 1,-0.1 -1,-0.1 -0.192 28.5-116.2 -62.3 158.8 -75.5 31.4 -8.5 36 37 A P - 0 0 10 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.443 39.3 -79.7 -90.3 170.2 -78.8 32.9 -9.4 37 38 A H > - 0 0 61 -2,-0.1 3,-1.3 1,-0.1 4,-0.4 -0.385 40.9-116.3 -66.4 147.4 -79.6 35.5 -12.1 38 39 A I G >> S+ 0 0 26 679,-2.5 3,-2.1 1,-0.3 4,-0.9 0.904 117.6 56.7 -53.0 -42.6 -78.8 39.0 -11.2 39 40 A S G 34 S+ 0 0 68 1,-0.3 4,-0.4 2,-0.2 -1,-0.3 0.774 94.5 66.0 -59.8 -30.7 -82.5 39.9 -11.4 40 41 A Q G <4 S+ 0 0 88 -3,-1.3 4,-0.4 1,-0.2 -1,-0.3 0.598 101.9 51.6 -66.7 -9.8 -83.3 37.1 -8.9 41 42 A C T X> S+ 0 0 3 -3,-2.1 4,-2.2 -4,-0.4 3,-0.6 0.812 79.7 88.1 -97.0 -34.5 -81.4 39.3 -6.4 42 43 A E H 3X S+ 0 0 94 -4,-0.9 4,-1.7 1,-0.3 -2,-0.1 0.760 90.4 52.2 -35.7 -42.0 -83.1 42.7 -6.8 43 44 A E H 3> S+ 0 0 167 -4,-0.4 4,-1.5 1,-0.2 3,-0.3 0.981 112.1 44.0 -58.3 -58.0 -85.7 41.6 -4.2 44 45 A L H <> S+ 0 0 13 -3,-0.6 4,-1.9 -4,-0.4 -2,-0.2 0.768 106.2 63.7 -60.5 -29.0 -83.1 40.7 -1.7 45 46 A R H < S+ 0 0 59 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.971 103.9 46.2 -58.6 -53.4 -81.1 43.9 -2.5 46 47 A L H < S+ 0 0 141 -4,-1.7 -2,-0.2 -3,-0.3 -1,-0.2 0.835 110.0 55.1 -56.8 -38.7 -84.0 46.0 -1.2 47 48 A S H < S+ 0 0 77 -4,-1.5 -1,-0.2 -5,-0.1 -2,-0.2 0.918 89.1 86.4 -63.7 -46.0 -84.4 44.0 2.0 48 49 A L S < S- 0 0 31 -4,-1.9 2,-0.2 -3,-0.2 0, 0.0 -0.309 81.5-123.0 -66.0 134.0 -80.8 44.3 3.1 49 50 A E - 0 0 145 1,-0.1 2,-2.0 2,-0.1 6,-0.1 -0.502 17.4-121.8 -73.8 144.0 -80.0 47.4 5.2 50 51 A R + 0 0 175 -2,-0.2 2,-0.7 4,-0.1 -1,-0.1 -0.368 60.4 149.9 -79.8 59.5 -77.2 49.6 3.9 51 52 A D >> - 0 0 55 -2,-2.0 4,-2.6 1,-0.2 3,-1.3 -0.836 39.1-159.2-107.1 108.7 -75.4 49.1 7.2 52 53 A Y H 3>>S+ 0 0 27 -2,-0.7 4,-2.6 1,-0.3 5,-0.6 0.856 94.0 50.3 -45.5 -53.2 -71.5 49.3 7.1 53 54 A H H 34>S+ 0 0 61 1,-0.2 5,-1.7 2,-0.2 4,-0.5 0.784 114.9 46.0 -62.9 -26.9 -71.0 47.4 10.3 54 55 A S H <4>S+ 0 0 39 -3,-1.3 5,-1.1 3,-0.2 -2,-0.2 0.938 120.3 33.8 -79.5 -49.5 -73.3 44.6 9.1 55 56 A L H <5S+ 0 0 2 -4,-2.6 11,-0.2 1,-0.2 -2,-0.2 0.798 129.6 28.9 -82.2 -28.9 -72.1 44.1 5.5 56 57 A C T <5S+ 0 0 3 -4,-2.6 -3,-0.2 -5,-0.3 -1,-0.2 0.575 128.2 29.3-110.8 -12.7 -68.4 44.8 5.9 57 58 A E T > S+ 0 0 25 0, 0.0 4,-3.4 0, 0.0 -1,-0.2 0.760 96.5 43.1 -36.0 -51.4 -67.2 37.1 6.8 61 62 A I H 3> S+ 0 0 1 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.912 114.5 52.2 -65.1 -42.1 -68.0 36.9 3.1 62 63 A G H <> S+ 0 0 0 -3,-0.9 4,-2.5 2,-0.2 -1,-0.2 0.973 112.6 44.3 -54.0 -57.1 -69.3 40.4 3.2 63 64 A R H X S+ 0 0 37 -4,-2.5 4,-3.3 1,-0.2 5,-0.2 0.946 112.2 53.0 -52.5 -54.8 -66.0 41.6 4.7 64 65 A L H X S+ 0 0 7 -4,-3.4 4,-3.4 1,-0.2 -1,-0.2 0.915 110.4 46.4 -47.8 -52.8 -64.0 39.4 2.3 65 66 A L H X S+ 0 0 0 -4,-3.0 4,-2.5 2,-0.2 -1,-0.2 0.887 111.9 51.7 -60.1 -39.3 -65.7 40.9 -0.7 66 67 A F H X S+ 0 0 11 -4,-2.5 4,-2.8 -5,-0.2 -2,-0.2 0.954 112.1 45.7 -62.1 -48.7 -65.2 44.4 0.7 67 68 A R H X S+ 0 0 28 -4,-3.3 4,-2.8 1,-0.2 -2,-0.2 0.965 111.7 52.5 -53.2 -55.4 -61.5 43.7 1.2 68 69 A E H < S+ 0 0 1 -4,-3.4 4,-0.4 1,-0.2 -1,-0.2 0.848 110.6 48.2 -47.9 -42.3 -61.4 42.2 -2.3 69 70 A F H >X S+ 0 0 13 -4,-2.5 3,-1.5 -5,-0.2 4,-0.6 0.927 109.7 52.3 -66.0 -45.2 -63.0 45.4 -3.6 70 71 A C H >< S+ 0 0 0 -4,-2.8 7,-0.9 1,-0.3 3,-0.9 0.891 92.9 73.3 -59.0 -41.6 -60.5 47.6 -1.7 71 72 A A T 3< S+ 0 0 26 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.766 91.1 60.5 -44.5 -29.6 -57.6 45.7 -3.1 72 73 A T T <4 S+ 0 0 63 -3,-1.5 -1,-0.3 -4,-0.4 -2,-0.2 0.953 98.0 57.9 -67.0 -49.0 -58.3 47.5 -6.4 73 74 A R S XX S- 0 0 40 -3,-0.9 4,-3.0 -4,-0.6 3,-1.3 -0.754 73.9-148.5 -95.2 115.2 -57.8 51.1 -5.1 74 75 A P H 3> S+ 0 0 90 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.801 96.9 57.0 -49.4 -42.4 -54.3 51.8 -3.6 75 76 A E H 3> S+ 0 0 72 2,-0.2 4,-1.2 1,-0.2 -5,-0.1 0.876 117.4 35.5 -58.3 -38.6 -55.6 54.3 -1.1 76 77 A L H <> S+ 0 0 0 -3,-1.3 4,-2.5 -6,-0.3 3,-0.4 0.953 110.1 60.8 -78.1 -54.6 -58.0 51.7 0.3 77 78 A S H X S+ 0 0 56 -4,-3.0 4,-2.0 -7,-0.9 -2,-0.2 0.846 110.0 45.5 -39.4 -41.6 -55.7 48.7 -0.2 78 79 A R H X S+ 0 0 58 -4,-2.3 4,-2.2 -5,-0.3 -1,-0.3 0.880 107.7 55.1 -75.7 -37.7 -53.4 50.6 2.2 79 80 A C H X S+ 0 0 0 -4,-1.2 4,-2.2 -3,-0.4 -2,-0.2 0.962 110.7 47.7 -53.6 -51.2 -56.1 51.5 4.7 80 81 A V H X S+ 0 0 20 -4,-2.5 4,-2.4 1,-0.2 3,-0.4 0.971 109.2 50.4 -56.2 -61.7 -57.1 47.8 5.0 81 82 A A H X S+ 0 0 43 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.857 109.1 55.7 -42.3 -43.2 -53.5 46.6 5.5 82 83 A F H X S+ 0 0 2 -4,-2.2 4,-2.3 2,-0.2 3,-0.4 0.948 107.1 46.8 -56.3 -54.1 -53.2 49.3 8.2 83 84 A L H X S+ 0 0 29 -4,-2.2 4,-2.7 -3,-0.4 -1,-0.2 0.916 109.9 54.1 -55.0 -45.3 -56.2 47.9 10.1 84 85 A D H X S+ 0 0 51 -4,-2.4 4,-1.2 1,-0.2 -1,-0.3 0.810 108.8 51.7 -59.4 -33.1 -54.8 44.4 9.8 85 86 A G H >X S+ 0 0 11 -4,-1.8 4,-3.0 -3,-0.4 3,-0.6 0.972 109.9 44.8 -65.2 -59.6 -51.6 45.7 11.3 86 87 A V H 3X S+ 0 0 3 -4,-2.3 4,-3.3 1,-0.3 -2,-0.2 0.936 109.5 57.5 -49.0 -52.8 -53.2 47.3 14.4 87 88 A A H 3< S+ 0 0 22 -4,-2.7 -1,-0.3 1,-0.2 -2,-0.2 0.843 112.1 41.9 -49.1 -40.5 -55.3 44.3 14.9 88 89 A E H XX S+ 0 0 46 -4,-1.2 3,-3.1 -3,-0.6 4,-0.9 0.979 111.8 52.9 -69.4 -58.5 -52.1 42.2 15.1 89 90 A Y H >< S+ 0 0 0 -4,-3.0 3,-1.2 1,-0.3 -2,-0.2 0.846 102.0 62.3 -42.8 -42.5 -50.2 44.7 17.2 90 91 A E T 3< S+ 0 0 65 -4,-3.3 -1,-0.3 1,-0.3 -2,-0.2 0.362 113.3 34.1 -72.2 5.1 -53.2 44.7 19.7 91 92 A V T <4 S+ 0 0 37 -3,-3.1 -1,-0.3 -5,-0.2 -2,-0.2 0.272 90.5 114.7-135.4 -0.2 -52.5 41.0 20.3 92 93 A T S << S- 0 0 8 -3,-1.2 5,-0.1 -4,-0.9 1016,-0.1 -0.632 74.3-107.4 -77.3 126.4 -48.7 41.0 20.0 93 94 A P >> - 0 0 10 0, 0.0 4,-1.9 0, 0.0 3,-1.1 -0.081 29.1-106.9 -54.0 155.2 -47.0 40.2 23.3 94 95 A D H 3> S+ 0 0 118 1,-0.3 4,-0.8 2,-0.2 -2,-0.1 0.821 113.9 54.9 -56.3 -45.9 -45.2 42.9 25.3 95 96 A D H 34 S+ 0 0 125 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.761 121.8 30.8 -62.7 -26.6 -41.6 42.0 24.6 96 97 A K H <> S+ 0 0 123 -3,-1.1 4,-2.1 1011,-0.1 3,-0.4 0.618 98.7 88.2-102.6 -19.5 -42.2 42.1 20.8 97 98 A R H X S+ 0 0 14 -4,-1.9 4,-3.1 1,-0.2 5,-0.2 0.856 86.4 49.2 -52.6 -50.0 -44.9 44.8 20.8 98 99 A K H X S+ 0 0 114 -4,-0.8 4,-2.0 1,-0.2 -1,-0.2 0.882 112.1 49.6 -60.0 -40.7 -42.6 47.9 20.5 99 100 A A H > S+ 0 0 69 -3,-0.4 4,-0.9 -4,-0.2 -1,-0.2 0.896 115.1 43.3 -64.8 -43.8 -40.6 46.3 17.6 100 101 A C H >X S+ 0 0 28 -4,-2.1 4,-1.3 2,-0.2 3,-0.5 0.925 112.3 53.4 -67.6 -46.9 -43.8 45.5 15.7 101 102 A G H 3X S+ 0 0 0 -4,-3.1 4,-2.2 1,-0.2 -2,-0.2 0.884 103.3 55.9 -56.9 -44.9 -45.5 48.8 16.4 102 103 A R H 3X S+ 0 0 108 -4,-2.0 4,-2.5 1,-0.2 -1,-0.2 0.824 102.1 57.5 -60.5 -33.8 -42.6 50.9 15.1 103 104 A Q H S+ 0 0 17 -4,-1.3 4,-2.8 2,-0.2 5,-0.8 0.886 110.6 55.6 -64.0 -40.3 -46.3 50.2 11.2 105 106 A T H X5S+ 0 0 20 -4,-2.2 4,-1.5 1,-0.2 -2,-0.2 0.950 113.3 40.4 -53.6 -51.7 -45.5 53.7 12.4 106 107 A Q H <5S+ 0 0 159 -4,-2.5 -1,-0.2 3,-0.2 4,-0.2 0.757 119.2 47.8 -73.3 -26.5 -42.8 53.9 9.7 107 108 A N H <5S+ 0 0 91 -4,-1.9 -2,-0.2 -5,-0.2 -3,-0.2 0.969 126.7 17.0 -77.1 -58.0 -44.9 52.2 7.1 108 109 A F H <5S+ 0 0 31 -4,-2.8 8,-0.2 1,-0.2 -3,-0.2 0.733 127.3 47.3 -94.4 -25.3 -48.3 53.9 7.3 109 110 A L S < S- 0 0 18 1,-0.1 3,-0.5 -38,-0.0 -1,-0.2 -0.804 81.6-110.9-110.5 155.4 -56.5 59.4 4.9 118 119 A P T 3 S+ 0 0 86 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.826 107.5 25.9 -52.8 -42.1 -57.7 62.6 3.1 119 120 A E T 3 S+ 0 0 169 2,-0.0 0, 0.0 -4,-0.0 0, 0.0 -0.696 72.4 162.8-131.2 80.9 -57.8 64.8 6.2 120 121 A V < - 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0 0 83 0, 0.0 -1,-0.1 0, 0.0 20,-0.1 -0.285 34.9 -80.5 -71.9 162.7 -71.0 22.1 53.4 403 406 A E - 0 0 30 18,-0.2 2,-0.5 15,-0.1 -19,-0.1 -0.237 36.3-139.9 -68.0 149.1 -68.7 20.3 51.0 404 407 A E - 0 0 97 -21,-0.2 2,-0.4 -3,-0.1 -1,-0.1 -0.945 15.3-146.0-113.9 129.6 -66.3 17.4 52.0 405 408 A Y - 0 0 53 -2,-0.5 2,-0.2 4,-0.0 9,-0.0 -0.797 5.5-157.6-102.9 131.6 -62.8 17.2 50.5 406 409 A S > - 0 0 59 -2,-0.4 2,-1.7 1,-0.0 3,-1.0 -0.489 45.0 -87.6 -88.0 171.4 -60.8 14.1 49.7 407 410 A E T 3 S+ 0 0 201 1,-0.2 3,-0.1 -2,-0.2 -1,-0.0 -0.529 107.7 80.5 -88.3 74.7 -57.0 14.3 49.5 408 411 A R T 3 + 0 0 118 -2,-1.7 2,-0.3 2,-0.1 -1,-0.2 0.356 68.0 96.5-136.9 -25.3 -56.5 15.4 45.9 409 412 A F < - 0 0 27 -3,-1.0 -4,-0.0 1,-0.1 -1,-0.0 -0.546 65.9-140.2 -78.2 131.2 -57.2 19.1 46.2 410 413 A S > - 0 0 33 -2,-0.3 4,-1.4 -3,-0.1 5,-0.2 -0.193 36.7 -90.6 -74.5 174.8 -54.3 21.4 46.6 411 414 A P H > S+ 0 0 119 0, 0.0 4,-1.4 0, 0.0 3,-0.5 0.960 129.3 35.6 -49.3 -56.5 -54.3 24.4 49.0 412 415 A Q H > S+ 0 0 70 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.835 107.4 66.5 -71.7 -35.4 -55.7 26.8 46.3 413 416 A A H > S+ 0 0 0 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.825 105.2 46.2 -54.5 -35.1 -57.9 24.1 44.6 414 417 A R H X S+ 0 0 145 -4,-1.4 4,-3.1 -3,-0.5 5,-0.3 0.960 106.1 57.3 -69.7 -53.4 -60.0 24.1 47.8 415 418 A S H X S+ 0 0 35 -4,-1.4 4,-2.1 1,-0.2 -2,-0.2 0.815 110.6 43.3 -52.0 -42.0 -60.2 27.8 48.3 416 419 A L H X S+ 0 0 2 -4,-1.9 4,-2.6 2,-0.2 5,-0.3 0.995 114.4 46.6 -67.3 -65.5 -61.8 28.4 44.9 417 420 A C H X S+ 0 0 0 -4,-1.3 4,-1.9 1,-0.2 -2,-0.2 0.871 115.1 50.2 -41.9 -47.2 -64.3 25.5 44.9 418 421 A S H < S+ 0 0 47 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.939 110.2 47.6 -59.1 -51.8 -65.3 26.5 48.4 419 422 A Q H >< S+ 0 0 59 -4,-2.1 10,-1.9 -5,-0.3 3,-0.7 0.814 115.0 47.2 -61.0 -32.7 -65.8 30.2 47.4 420 423 A L H 3< S+ 0 0 1 -4,-2.6 -1,-0.2 1,-0.2 -49,-0.2 0.754 111.1 51.5 -79.0 -27.1 -67.8 29.0 44.4 421 424 A L T 3< S+ 0 0 2 -4,-1.9 2,-0.4 -5,-0.3 -1,-0.2 0.090 76.1 136.4 -98.9 22.2 -69.8 26.6 46.6 422 425 A C < - 0 0 34 -3,-0.7 5,-0.1 1,-0.2 6,-0.1 -0.585 51.1-146.7 -66.2 123.7 -70.7 29.3 49.1 423 426 A K S S+ 0 0 46 -2,-0.4 -69,-0.2 -23,-0.1 -1,-0.2 0.694 79.4 86.8 -72.1 -19.1 -74.3 28.8 49.9 424 427 A D > - 0 0 74 1,-0.2 3,-1.6 3,-0.1 4,-0.5 -0.744 67.0-161.0 -84.1 106.6 -74.9 32.5 50.4 425 428 A P G > S+ 0 0 36 0, 0.0 3,-2.8 0, 0.0 6,-0.2 0.946 86.6 53.6 -52.9 -58.9 -75.6 33.8 46.9 426 429 A A G 3 S+ 0 0 81 1,-0.3 -2,-0.1 6,-0.0 0, 0.0 0.489 118.0 39.6 -60.6 -1.6 -74.9 37.5 47.5 427 430 A E G < S+ 0 0 118 -3,-1.6 -1,-0.3 -5,-0.1 2,-0.2 0.305 88.7 116.5-127.5 2.8 -71.5 36.4 48.9 428 431 A R S X> S- 0 0 0 -3,-2.8 3,-1.2 -4,-0.5 4,-0.5 -0.506 80.0 -91.5 -73.8 142.0 -70.7 33.7 46.3 429 432 A L T 34 S+ 0 0 7 -10,-1.9 -1,-0.1 1,-0.2 2,-0.1 -0.260 112.4 19.1 -58.4 134.6 -67.6 34.3 44.2 430 433 A G T >>>S+ 0 0 4 -3,-0.1 5,-1.1 5,-0.1 3,-0.6 -0.245 116.3 68.9 99.2 -42.9 -68.5 36.0 40.9 431 434 A C T <45S+ 0 0 39 -3,-1.2 -2,-0.2 1,-0.2 -67,-0.1 0.486 74.9 87.0 -86.3 -4.1 -71.8 37.3 42.2 432 435 A R T 3<5S- 0 0 114 -4,-0.5 -1,-0.2 3,-0.2 -3,-0.1 0.662 119.2 -79.8 -72.4 -20.4 -70.2 39.7 44.7 433 436 A G T <45S+ 0 0 75 -3,-0.6 -2,-0.1 2,-0.1 -1,-0.1 0.549 116.1 84.8 126.3 23.3 -69.9 42.5 42.1 434 437 A G T ><5 - 0 0 23 -4,-0.6 3,-0.8 1,-0.2 4,-0.5 0.375 69.1-160.1-124.0 -2.9 -66.9 41.6 40.0 435 438 A S T >> S+ 0 0 2 1,-0.2 4,-2.9 2,-0.2 3,-0.4 0.851 127.8 80.3 -66.0 -34.5 -66.0 36.9 35.9 437 440 A R H <> S+ 0 0 128 -3,-0.8 4,-1.6 1,-0.3 -1,-0.2 0.833 96.8 42.5 -40.7 -47.6 -63.2 39.5 36.6 438 441 A E H <4 S+ 0 0 42 -3,-0.6 4,-0.3 -4,-0.5 -1,-0.3 0.879 112.1 52.0 -73.0 -39.0 -62.9 38.2 40.2 439 442 A V H >< S+ 0 0 1 -4,-0.8 3,-1.2 -3,-0.4 -2,-0.2 0.904 110.4 49.9 -63.1 -42.2 -63.2 34.5 39.5 440 443 A K H 3< S+ 0 0 28 -4,-2.9 5,-0.3 1,-0.2 -1,-0.2 0.912 105.1 59.4 -57.0 -43.6 -60.4 35.0 36.9 441 444 A E T 3< S+ 0 0 145 -4,-1.6 -1,-0.2 -5,-0.3 -2,-0.2 0.460 74.7 119.9 -73.5 -1.9 -58.4 36.8 39.5 442 445 A H S X S- 0 0 13 -3,-1.2 3,-1.8 -4,-0.3 -3,-0.0 -0.453 74.5-123.4 -61.5 134.6 -58.4 33.8 41.9 443 446 A P G > S+ 0 0 67 0, 0.0 3,-0.5 0, 0.0 -1,-0.1 0.611 100.8 81.5 -63.2 -11.3 -54.8 32.7 42.4 444 447 A L G 3 S+ 0 0 18 1,-0.3 2,-1.2 -32,-0.2 3,-0.3 0.837 83.1 63.6 -60.2 -32.8 -55.5 29.2 41.2 445 448 A F G X + 0 0 15 -3,-1.8 3,-0.7 -5,-0.3 -1,-0.3 -0.323 69.8 138.2 -88.7 52.4 -55.1 30.5 37.6 446 449 A K T < + 0 0 161 -2,-1.2 2,-0.3 -3,-0.5 -1,-0.2 0.993 69.1 31.8 -57.8 -73.1 -51.5 31.4 38.1 447 450 A K T 3 S+ 0 0 207 -3,-0.3 2,-0.5 2,-0.1 -1,-0.2 -0.006 98.6 99.4 -88.7 30.7 -49.7 30.3 35.0 448 451 A L < - 0 0 37 -3,-0.7 2,-0.9 -2,-0.3 3,-0.1 -0.976 62.3-148.0-119.4 122.4 -52.6 31.0 32.6 449 452 A N > - 0 0 70 -2,-0.5 4,-2.1 1,-0.2 5,-0.2 -0.804 10.6-164.0 -88.2 107.7 -52.8 34.1 30.6 450 453 A F H > S+ 0 0 36 -2,-0.9 4,-1.9 1,-0.2 5,-0.2 0.876 84.6 58.1 -63.7 -41.3 -56.5 34.8 30.3 451 454 A K H > S+ 0 0 116 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.931 111.9 43.9 -51.8 -47.4 -56.3 37.3 27.4 452 455 A R H >>>S+ 0 0 82 1,-0.2 5,-2.2 2,-0.2 3,-1.1 0.893 107.0 57.7 -66.6 -44.0 -54.6 34.5 25.4 453 456 A L H ><5S+ 0 0 1 -4,-2.1 3,-1.0 1,-0.3 -1,-0.2 0.848 101.7 57.4 -56.7 -36.1 -57.0 31.7 26.4 454 457 A G H 3<5S+ 0 0 22 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.771 107.0 48.0 -65.9 -27.7 -59.9 33.8 25.0 455 458 A A H <<5S- 0 0 4 -3,-1.1 -1,-0.3 -4,-0.7 -2,-0.2 0.512 115.5-121.4 -86.0 -7.3 -58.1 33.8 21.7 456 459 A G T <<5S+ 0 0 11 -3,-1.0 -3,-0.2 -4,-0.6 -2,-0.1 0.747 72.4 135.0 71.2 24.9 -57.6 30.1 22.1 457 460 A M < + 0 0 24 -5,-2.2 2,-0.5 -6,-0.1 -4,-0.2 0.337 43.5 89.7 -89.2 4.6 -53.9 30.7 21.8 458 461 A L S S- 0 0 46 -6,-0.3 -10,-0.0 -5,-0.2 0, 0.0 -0.893 80.0-124.2-104.4 133.5 -53.1 28.4 24.7 459 462 A E - 0 0 178 -2,-0.5 -2,-0.1 1,-0.1 -137,-0.1 -0.629 26.1-124.2 -76.2 123.7 -52.5 24.7 24.1 460 463 A P - 0 0 11 0, 0.0 -137,-0.1 0, 0.0 -174,-0.1 -0.431 19.0-121.4 -65.1 143.1 -54.8 22.4 26.1 461 464 A P S S+ 0 0 78 0, 0.0 2,-0.3 0, 0.0 -175,-0.1 0.396 98.3 46.7 -72.3 4.8 -52.9 19.9 28.3 462 465 A F - 0 0 63 -140,-0.2 0, 0.0 -141,-0.1 0, 0.0 -0.851 64.8-165.3-150.3 111.2 -54.6 17.0 26.5 463 466 A K - 0 0 148 -2,-0.3 -141,-0.1 -4,-0.0 -142,-0.1 -0.863 28.2-126.2 -93.8 122.8 -55.1 16.6 22.7 464 467 A P - 0 0 8 0, 0.0 3,-0.1 0, 0.0 -197,-0.1 -0.235 26.1-103.3 -63.4 153.6 -57.7 13.9 21.9 465 468 A D > - 0 0 89 1,-0.2 3,-1.9 -198,-0.1 -145,-0.0 -0.731 24.7-149.1 -79.5 118.4 -56.8 11.1 19.5 466 469 A P T 3 S+ 0 0 85 0, 0.0 -1,-0.2 0, 0.0 -451,-0.0 0.839 95.0 60.1 -56.0 -35.3 -58.4 11.9 16.2 467 470 A Q T 3 S+ 0 0 102 -3,-0.1 2,-0.3 2,-0.1 -455,-0.1 0.378 92.9 91.3 -77.1 5.4 -58.9 8.2 15.4 468 471 A A < - 0 0 27 -3,-1.9 2,-0.6 -456,-0.0 0, 0.0 -0.798 64.3-147.6-109.0 145.2 -61.0 7.7 18.5 469 472 A I - 0 0 35 -2,-0.3 2,-1.4 2,-0.1 -202,-0.1 -0.936 13.1-155.3-110.3 111.3 -64.8 8.0 19.0 470 473 A Y + 0 0 25 -204,-0.6 -201,-0.4 -2,-0.6 2,-0.3 -0.404 59.8 65.8 -93.7 59.7 -65.6 9.3 22.4 471 474 A C S S- 0 0 17 -2,-1.4 -279,-0.1 -203,-0.1 -2,-0.1 -0.971 84.8 -75.0-163.8 167.6 -69.1 8.0 23.1 472 475 A K - 0 0 113 -2,-0.3 2,-0.1 -281,-0.2 5,-0.1 -0.037 52.1 -97.7 -59.0 161.0 -71.1 4.8 23.6 473 476 A D > - 0 0 54 1,-0.1 3,-1.1 3,-0.1 -1,-0.1 -0.352 40.4-100.9 -75.5 166.1 -72.1 2.3 20.8 474 477 A V G > S+ 0 0 45 1,-0.3 3,-1.4 2,-0.2 -1,-0.1 0.942 119.7 43.3 -56.9 -62.1 -75.5 2.5 19.2 475 478 A L G 3 S+ 0 0 144 1,-0.3 -1,-0.3 -3,-0.0 -2,-0.0 0.451 103.2 72.1 -69.4 2.5 -77.4 -0.3 20.9 476 479 A D G < S+ 0 0 104 -3,-1.1 2,-0.4 2,-0.1 -1,-0.3 0.050 87.2 80.1-100.3 21.1 -75.8 0.9 24.2 477 480 A I S < S- 0 0 42 -3,-1.4 -285,-0.0 -5,-0.1 -286,-0.0 -0.997 78.3-123.6-132.7 137.5 -78.1 3.9 24.1 478 481 A E - 0 0 161 -2,-0.4 2,-0.2 -285,-0.0 -2,-0.1 0.003 13.7-160.0 -72.7 173.3 -81.7 4.0 25.2 479 482 A Q - 0 0 144 -286,-0.1 3,-0.1 -281,-0.0 2,-0.0 -0.820 17.4-133.8-156.2 119.0 -85.0 5.0 23.5 480 483 A F - 0 0 130 -2,-0.2 2,-0.2 1,-0.2 0, 0.0 -0.314 45.1 -77.0 -71.4 154.8 -88.2 6.0 25.3 481 484 A S - 0 0 88 1,-0.1 2,-2.2 -2,-0.0 -1,-0.2 -0.327 40.2-131.1 -56.1 118.1 -91.6 4.5 24.2 482 485 A T - 0 0 92 -2,-0.2 -1,-0.1 -3,-0.1 2,-0.1 -0.507 31.9-151.3 -72.7 79.5 -92.7 6.3 21.0 483 486 A V - 0 0 77 -2,-2.2 3,-0.0 1,-0.1 -1,-0.0 -0.331 12.6-164.9 -63.9 125.9 -96.2 7.0 22.4 484 487 A K + 0 0 175 1,-0.1 3,-0.1 -2,-0.1 -1,-0.1 0.131 55.7 90.7 -86.5-153.1 -98.9 7.2 19.7 485 488 A G S S+ 0 0 84 1,-0.2 2,-0.3 -2,-0.0 -1,-0.1 0.849 71.7 106.7 64.2 35.9 -102.4 8.6 20.2 486 489 A V - 0 0 39 -3,-0.0 2,-0.4 2,-0.0 -1,-0.2 -0.959 47.2-170.6-148.8 124.5 -101.3 12.1 19.2 487 490 A E - 0 0 164 -2,-0.3 2,-0.2 -3,-0.1 -3,-0.0 -0.965 24.8-121.2-123.4 134.9 -101.9 14.0 16.0 488 491 A L - 0 0 68 -2,-0.4 -269,-0.0 2,-0.0 -2,-0.0 -0.505 31.7-159.3 -75.2 134.6 -100.3 17.2 14.8 489 492 A E >> - 0 0 114 -2,-0.2 3,-3.3 1,-0.0 4,-0.6 -0.845 33.8 -95.6-120.3 152.4 -102.8 20.1 14.2 490 493 A P H >> S+ 0 0 99 0, 0.0 4,-1.2 0, 0.0 3,-0.8 0.718 118.0 66.1 -27.5 -47.3 -102.7 23.3 12.2 491 494 A T H 3> S+ 0 0 105 1,-0.3 4,-0.8 2,-0.2 -3,-0.0 0.801 98.3 54.2 -53.2 -33.3 -101.7 25.4 15.3 492 495 A D H <> S+ 0 0 11 -3,-3.3 4,-2.3 1,-0.2 3,-0.5 0.851 98.5 61.5 -70.8 -37.0 -98.4 23.5 15.4 493 496 A Q H - 0 0 8 -255,-2.8 4,-2.8 1,-0.1 5,-0.2 -0.797 23.0-133.0 -86.8 119.0 -77.7 31.0 10.1 505 508 A P H > S+ 0 0 39 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.827 93.1 38.1 -41.3 -68.4 -75.8 33.9 8.2 506 509 A I H > S+ 0 0 31 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.972 120.9 42.1 -56.6 -61.7 -72.4 34.1 9.9 507 510 A P H > S+ 0 0 17 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.880 113.3 54.6 -58.0 -39.5 -71.7 30.4 10.5 508 511 A W H X S+ 0 0 12 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.963 109.6 47.9 -51.3 -54.8 -73.0 29.5 7.1 509 512 A Q H X S+ 0 0 3 -4,-2.5 4,-1.8 -5,-0.2 -1,-0.2 0.906 109.0 51.6 -57.9 -47.5 -70.6 32.0 5.5 510 513 A N H X S+ 0 0 56 -4,-2.4 4,-2.8 1,-0.2 3,-0.3 0.914 107.3 54.4 -55.9 -45.1 -67.6 30.7 7.5 511 514 A E H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 6,-0.3 0.955 106.4 52.5 -49.0 -53.7 -68.4 27.2 6.4 512 515 A M H < S+ 0 0 4 -4,-2.2 6,-2.2 1,-0.2 5,-0.5 0.842 112.4 45.1 -51.2 -39.1 -68.3 28.5 2.8 513 516 A V H >< S+ 0 0 34 -4,-1.8 3,-1.3 -3,-0.3 6,-0.3 0.938 113.4 46.4 -76.0 -48.1 -64.9 30.0 3.4 514 517 A E H 3< S+ 0 0 88 -4,-2.8 -2,-0.2 1,-0.3 -3,-0.2 0.955 108.8 54.5 -57.6 -54.0 -63.2 27.1 5.2 515 518 A T T 3< S- 0 0 20 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.423 110.3-127.0 -65.5 2.2 -64.5 24.5 2.8 516 519 A E S <> S+ 0 0 109 -3,-1.3 4,-2.9 -5,-0.2 5,-0.2 0.393 77.4 121.8 67.8 -1.3 -62.9 26.7 0.1 517 520 A C H > S+ 0 0 0 -5,-0.5 4,-3.4 -6,-0.3 5,-0.4 0.932 70.7 56.2 -55.4 -46.8 -66.1 26.8 -1.9 518 521 A F H > S+ 0 0 3 -6,-2.2 4,-3.9 2,-0.2 5,-0.4 0.956 113.2 37.0 -47.0 -66.0 -66.0 30.6 -1.6 519 522 A Q H > S+ 0 0 51 -6,-0.3 4,-0.9 1,-0.2 -1,-0.2 0.896 119.2 50.5 -58.6 -43.2 -62.6 31.0 -3.1 520 523 A E H < S+ 0 0 90 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.889 125.5 25.7 -58.6 -41.3 -63.1 28.2 -5.6 521 524 A L H < S+ 0 0 28 -4,-3.4 -2,-0.2 -5,-0.2 -3,-0.2 0.768 113.5 59.4 -97.9 -32.3 -66.5 29.6 -6.8 522 525 A N H < S+ 0 0 0 -4,-3.9 -3,-0.2 -5,-0.4 -2,-0.1 0.906 81.1 93.5 -69.6 -42.7 -66.5 33.4 -6.2 523 526 A V < - 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