==== 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 3NYN . 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) . 56005.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 723 65.4 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 . 1 0.1 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 . 46 4.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 127 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 400 36.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 22 2.0 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 5 4 7 6 0 2 6 2 4 3 1 3 3 0 2 1 1 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 5 2 0 5 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 . 4 0 2 1 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 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 0 184 0, 0.0 4,-0.9 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 27.5 -72.8 -6.1 16.1 2 3 A L H > + 0 0 132 2,-0.2 4,-2.9 3,-0.1 5,-0.2 0.859 360.0 63.1 -75.1 -43.9 -71.6 -5.5 12.6 3 4 A E H > S+ 0 0 129 1,-0.2 4,-2.4 2,-0.2 5,-0.3 0.865 100.1 52.8 -46.3 -46.8 -73.9 -2.4 12.6 4 5 A N H > S+ 0 0 4 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.958 113.0 40.6 -55.4 -56.9 -71.7 -0.9 15.4 5 6 A I H X S+ 0 0 109 -4,-0.9 4,-2.0 2,-0.2 -2,-0.2 0.845 115.1 54.8 -66.8 -34.6 -68.4 -1.3 13.7 6 7 A V H X S+ 0 0 73 -4,-2.9 4,-2.4 2,-0.2 3,-0.5 0.993 108.2 44.7 -58.2 -66.0 -69.9 -0.2 10.4 7 8 A A H X S+ 0 0 20 -4,-2.4 4,-2.2 1,-0.3 182,-0.3 0.837 114.1 52.3 -50.7 -39.6 -71.4 3.1 11.6 8 9 A N H X S+ 0 0 27 -4,-1.9 4,-2.1 -5,-0.3 -1,-0.3 0.900 109.4 46.6 -65.2 -43.7 -68.1 3.9 13.4 9 10 A T H X S+ 0 0 86 -4,-2.0 4,-1.6 -3,-0.5 -2,-0.2 0.878 111.8 52.9 -69.8 -37.8 -65.9 3.3 10.4 10 11 A V H >X S+ 0 0 67 -4,-2.4 4,-2.2 2,-0.2 3,-0.8 0.987 110.1 46.5 -54.0 -63.9 -68.2 5.4 8.2 11 12 A L H 3X S+ 0 0 1 -4,-2.2 4,-2.6 1,-0.3 5,-0.2 0.879 111.4 51.3 -49.1 -47.6 -68.1 8.4 10.5 12 13 A L H 3X S+ 0 0 32 -4,-2.1 4,-1.5 1,-0.2 -1,-0.3 0.837 108.4 52.8 -62.8 -32.8 -64.4 8.2 10.9 13 14 A K H S+ 0 0 135 -4,-1.6 4,-1.9 -3,-0.8 5,-0.7 0.948 109.0 48.0 -66.5 -50.2 -63.9 8.2 7.2 14 15 A A H X5S+ 0 0 12 -4,-2.2 4,-0.6 1,-0.3 -2,-0.2 0.929 113.1 48.8 -53.8 -48.2 -66.1 11.3 6.7 15 16 A R H <5S+ 0 0 53 -4,-2.6 -1,-0.3 -5,-0.2 -2,-0.2 0.799 110.3 55.8 -60.0 -31.8 -64.0 12.9 9.5 16 17 A E H <5S- 0 0 124 -4,-1.5 -2,-0.2 -5,-0.2 -3,-0.2 1.000 134.2 -59.6 -64.3 -74.1 -60.9 11.8 7.7 17 18 A G H ><5 - 0 0 35 -4,-1.9 3,-0.6 1,-0.2 7,-0.4 0.117 56.9-126.3-173.7 40.6 -61.4 13.3 4.2 18 19 A G T 3< S-A 22 0A 40 3,-1.0 3,-0.6 1,-0.2 2,-0.3 -0.555 99.6 -84.4-129.4 66.1 -63.8 10.7 -1.0 20 21 A G T < S+ 0 0 58 -3,-0.6 -1,-0.2 1,-0.2 4,-0.1 -0.562 104.2 11.0 83.4-131.7 -60.3 12.0 -2.1 21 22 A N T 3 S+ 0 0 168 -2,-0.3 2,-0.7 2,-0.1 -1,-0.2 0.862 117.0 69.6 -56.0 -46.5 -59.7 15.4 -3.8 22 23 A R B < S-A 19 0A 110 -3,-0.6 2,-2.6 3,-0.1 -3,-1.0 -0.687 91.1-134.5 -73.3 112.5 -63.3 16.7 -3.1 23 24 A K S S- 0 0 135 -2,-0.7 -5,-0.2 1,-0.3 3,-0.1 -0.427 73.8 -47.6 -78.8 76.4 -63.1 17.1 0.6 24 25 A G S S+ 0 0 5 -2,-2.6 184,-0.3 -7,-0.4 -1,-0.3 0.390 103.1 141.1 80.3 -0.8 -66.5 15.5 1.4 25 26 A K - 0 0 32 182,-0.2 -1,-0.3 1,-0.1 181,-0.2 -0.455 57.6-107.9 -80.5 144.8 -68.2 17.4 -1.4 26 27 A S > - 0 0 19 179,-2.0 3,-1.7 -2,-0.1 4,-0.2 -0.386 28.5-116.9 -65.8 147.0 -70.9 15.9 -3.6 27 28 A K T 3 S+ 0 0 182 1,-0.3 3,-0.2 2,-0.1 -1,-0.1 0.682 116.6 47.2 -62.5 -16.9 -69.8 15.3 -7.2 28 29 A K T 3> S+ 0 0 120 1,-0.1 4,-1.7 2,-0.1 -1,-0.3 -0.153 73.4 120.7-115.4 39.7 -72.5 17.8 -8.2 29 30 A W H <> + 0 0 23 -3,-1.7 4,-1.9 1,-0.2 -1,-0.1 0.846 67.6 61.4 -70.0 -35.3 -71.7 20.6 -5.7 30 31 A R H 4 S+ 0 0 117 1,-0.2 -1,-0.2 2,-0.2 -2,-0.1 0.869 107.2 47.3 -60.8 -35.3 -71.0 23.2 -8.4 31 32 A Q H >4 S+ 0 0 142 1,-0.2 3,-1.7 2,-0.2 -1,-0.2 0.924 109.1 53.3 -67.1 -46.7 -74.6 22.7 -9.5 32 33 A M H 3< S+ 0 0 64 -4,-1.7 -2,-0.2 1,-0.3 -1,-0.2 0.808 114.5 42.0 -58.5 -31.1 -75.9 22.9 -6.0 33 34 A L T 3< S+ 0 0 14 -4,-1.9 -1,-0.3 173,-0.1 2,-0.2 0.004 80.4 146.0-108.7 26.8 -74.1 26.2 -5.5 34 35 A Q < - 0 0 94 -3,-1.7 -3,-0.1 -5,-0.1 594,-0.0 -0.469 50.8-118.4 -67.3 129.5 -74.9 27.8 -8.9 35 36 A F - 0 0 42 -2,-0.2 2,-0.1 1,-0.1 -1,-0.1 -0.256 27.5-121.1 -66.2 157.9 -75.4 31.5 -8.6 36 37 A P - 0 0 9 0, 0.0 -1,-0.1 0, 0.0 135,-0.1 -0.328 35.8 -79.4 -90.1 176.1 -78.7 33.0 -9.5 37 38 A H - 0 0 66 1,-0.1 681,-0.2 -2,-0.1 678,-0.1 -0.366 36.3-119.8 -72.1 157.2 -79.5 35.6 -12.1 38 39 A I S >> S+ 0 0 22 679,-1.6 3,-2.2 1,-0.2 4,-0.5 0.918 117.3 55.9 -65.4 -42.3 -78.8 39.2 -11.2 39 40 A S G >4 S+ 0 0 71 1,-0.3 3,-1.0 2,-0.2 4,-0.5 0.853 97.9 64.0 -53.6 -37.9 -82.6 40.0 -11.7 40 41 A Q G 34 S+ 0 0 84 1,-0.2 -1,-0.3 677,-0.2 4,-0.2 0.433 99.9 55.9 -65.8 0.4 -83.2 37.3 -9.1 41 42 A C G <> S+ 0 0 3 -3,-2.2 4,-2.4 2,-0.1 3,-0.2 0.659 80.2 82.6-108.1 -18.9 -81.4 39.5 -6.6 42 43 A E H S+ 0 0 171 -4,-0.5 4,-1.7 1,-0.3 -1,-0.2 0.900 115.1 44.1 -36.3 -49.8 -86.0 41.8 -4.3 44 45 A L H > S+ 0 0 13 -3,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.885 104.5 60.8 -67.3 -42.6 -83.2 40.9 -1.9 45 46 A R H < S+ 0 0 51 -4,-2.4 3,-0.4 1,-0.2 -2,-0.2 0.954 106.9 47.5 -50.4 -58.1 -81.1 44.1 -2.5 46 47 A L H < S+ 0 0 136 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.896 107.7 56.7 -46.0 -51.1 -84.0 46.2 -1.3 47 48 A S H < S+ 0 0 78 -4,-1.7 -1,-0.2 -5,-0.3 2,-0.2 0.919 89.5 88.2 -49.8 -46.0 -84.5 44.0 1.8 48 49 A L S < S- 0 0 26 -4,-2.0 2,-0.2 -3,-0.4 7,-0.0 -0.353 78.5-131.4 -70.1 123.3 -80.9 44.5 3.0 49 50 A E - 0 0 152 -2,-0.2 2,-1.8 1,-0.1 6,-0.1 -0.491 23.0-117.7 -66.5 138.1 -80.3 47.5 5.2 50 51 A R + 0 0 151 -2,-0.2 2,-0.6 4,-0.1 -1,-0.1 -0.579 57.0 154.6 -76.9 81.9 -77.3 49.6 4.0 51 52 A D >> - 0 0 58 -2,-1.8 4,-2.9 1,-0.2 3,-1.5 -0.869 37.7-159.9-124.1 100.6 -75.3 49.1 7.1 52 53 A Y H 3>>S+ 0 0 30 -2,-0.6 4,-2.5 1,-0.3 5,-0.5 0.849 96.5 51.0 -31.1 -56.3 -71.5 49.3 7.1 53 54 A H H 3>>S+ 0 0 61 1,-0.2 5,-2.4 3,-0.2 4,-0.5 0.813 117.0 38.9 -63.9 -30.9 -71.2 47.3 10.3 54 55 A S H <4>S+ 0 0 40 -3,-1.5 5,-1.2 3,-0.2 -2,-0.2 0.933 123.8 36.0 -82.7 -48.3 -73.4 44.5 9.0 55 56 A L H <5S+ 0 0 3 -4,-2.9 11,-0.2 1,-0.2 -3,-0.2 0.683 130.2 27.8 -81.5 -22.3 -72.3 44.3 5.4 56 57 A C H <5S+ 0 0 3 -4,-2.5 -3,-0.2 -5,-0.4 -1,-0.2 0.552 130.6 23.1-118.7 -10.5 -68.6 45.0 5.8 57 58 A E T < S+ 0 0 29 0, 0.0 4,-3.4 0, 0.0 5,-0.2 0.781 93.2 43.8 -46.7 -47.9 -67.2 37.4 6.8 61 62 A I H > S+ 0 0 1 1,-0.2 4,-3.5 2,-0.2 5,-0.2 0.969 116.1 49.5 -60.5 -47.8 -68.0 36.9 3.1 62 63 A G H > S+ 0 0 0 -3,-0.4 4,-1.9 2,-0.2 -1,-0.2 0.886 112.1 49.0 -54.1 -41.8 -69.3 40.5 3.0 63 64 A R H X S+ 0 0 41 -4,-2.7 4,-3.2 2,-0.2 -2,-0.2 0.951 111.8 47.7 -65.1 -51.1 -66.1 41.6 4.7 64 65 A L H X S+ 0 0 5 -4,-3.4 4,-3.8 1,-0.2 5,-0.3 0.957 109.9 52.6 -49.6 -54.7 -63.9 39.7 2.2 65 66 A L H X S+ 0 0 0 -4,-3.5 4,-2.2 1,-0.2 -1,-0.2 0.879 112.4 46.2 -54.2 -38.6 -65.9 41.1 -0.7 66 67 A F H X S+ 0 0 11 -4,-1.9 4,-2.8 -5,-0.2 5,-0.2 0.967 112.7 48.3 -67.8 -53.5 -65.3 44.6 0.7 67 68 A R H X S+ 0 0 30 -4,-3.2 4,-1.5 1,-0.2 -2,-0.2 0.949 111.6 50.8 -46.4 -56.9 -61.6 43.9 1.3 68 69 A E H >X S+ 0 0 2 -4,-3.8 4,-0.6 1,-0.2 3,-0.5 0.898 109.4 51.9 -48.4 -46.5 -61.3 42.5 -2.2 69 70 A F H >< S+ 0 0 11 -4,-2.2 3,-1.6 -5,-0.3 4,-0.3 0.913 105.4 54.3 -57.4 -45.4 -63.0 45.7 -3.5 70 71 A C H >< S+ 0 0 0 -4,-2.8 3,-1.3 1,-0.3 7,-1.3 0.753 94.0 70.6 -63.7 -25.9 -60.6 47.9 -1.6 71 72 A A H << S+ 0 0 29 -4,-1.5 -1,-0.3 -3,-0.5 -2,-0.2 0.796 88.2 65.0 -58.7 -27.7 -57.7 46.1 -3.3 72 73 A T T << S+ 0 0 69 -3,-1.6 -1,-0.2 -4,-0.6 -2,-0.2 0.724 103.5 48.6 -69.9 -21.1 -58.7 47.8 -6.6 73 74 A R S X> S- 0 0 33 -3,-1.3 4,-3.0 -4,-0.3 3,-0.7 -0.969 72.7-150.3-126.4 117.1 -57.8 51.2 -5.2 74 75 A P H 3> S+ 0 0 94 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.842 95.7 58.3 -56.5 -39.5 -54.5 51.8 -3.5 75 76 A E H 3> S+ 0 0 76 2,-0.2 4,-0.9 1,-0.2 -5,-0.1 0.904 116.6 37.0 -58.7 -39.4 -55.7 54.6 -1.2 76 77 A L H X> S+ 0 0 0 -3,-0.7 4,-1.7 -6,-0.2 3,-1.4 0.977 111.5 57.4 -72.5 -59.7 -58.2 52.1 0.2 77 78 A S H 3X S+ 0 0 53 -4,-3.0 4,-2.1 -7,-1.3 -2,-0.2 0.848 106.3 51.8 -39.7 -46.4 -56.0 49.0 0.0 78 79 A R H 3X S+ 0 0 57 -4,-2.7 4,-1.9 2,-0.2 -1,-0.3 0.862 104.9 55.1 -66.1 -34.8 -53.5 50.7 2.3 79 80 A C H XX S+ 0 0 0 -3,-1.4 4,-2.4 -4,-0.9 3,-0.5 0.982 107.6 50.1 -53.8 -56.6 -56.2 51.6 4.9 80 81 A V H 3X S+ 0 0 23 -4,-1.7 4,-2.3 1,-0.3 -2,-0.2 0.882 109.6 50.7 -51.7 -44.3 -57.1 47.9 5.1 81 82 A A H 3X S+ 0 0 42 -4,-2.1 4,-2.6 -5,-0.3 -1,-0.3 0.882 109.9 52.1 -58.0 -39.3 -53.5 47.0 5.6 82 83 A F H X S+ 0 0 47 -4,-2.0 3,-1.9 -5,-0.2 4,-0.6 0.975 112.8 53.8 -66.3 -56.0 -52.2 42.4 15.1 89 90 A Y H >< S+ 0 0 0 -4,-3.3 3,-1.8 1,-0.3 -2,-0.2 0.878 104.1 55.6 -43.6 -52.0 -50.3 44.9 17.1 90 91 A E H 3< S+ 0 0 69 -4,-3.3 -1,-0.3 1,-0.3 -2,-0.2 0.723 113.5 41.1 -58.7 -24.6 -53.0 44.9 19.8 91 92 A V H << S+ 0 0 22 -3,-1.9 -1,-0.3 -4,-0.6 -2,-0.2 0.329 89.7 109.0-105.3 3.6 -52.6 41.2 20.2 92 93 A T S << S- 0 0 6 -3,-1.8 5,-0.1 -4,-0.6 1016,-0.1 -0.697 78.3-105.8 -82.4 131.4 -48.8 41.2 20.0 93 94 A P > - 0 0 11 0, 0.0 4,-1.5 0, 0.0 3,-0.4 -0.072 30.6 -99.9 -63.0 159.7 -47.2 40.4 23.4 94 95 A D H > S+ 0 0 125 1,-0.2 4,-0.7 2,-0.2 3,-0.4 0.825 117.2 45.8 -46.1 -53.5 -45.5 43.1 25.6 95 96 A D H 4 S+ 0 0 132 1,-0.2 4,-0.4 2,-0.1 -1,-0.2 0.893 120.1 38.7 -63.0 -42.9 -41.8 42.3 24.7 96 97 A K H > S+ 0 0 78 -3,-0.4 4,-2.1 1,-0.2 -1,-0.2 0.610 98.1 86.5 -79.8 -13.8 -42.4 42.1 20.9 97 98 A R H X S+ 0 0 17 -4,-1.5 4,-3.7 -3,-0.4 5,-0.2 0.918 86.0 44.3 -61.4 -56.4 -44.9 45.0 20.8 98 99 A K H X S+ 0 0 120 -4,-0.7 4,-1.8 1,-0.2 -1,-0.2 0.861 113.2 53.7 -60.6 -36.8 -42.7 48.1 20.5 99 100 A A H > S+ 0 0 73 -4,-0.4 4,-0.9 2,-0.2 -1,-0.2 0.927 116.3 38.7 -59.7 -47.3 -40.6 46.4 17.8 100 101 A C H X S+ 0 0 25 -4,-2.1 4,-1.2 1,-0.2 3,-0.2 0.891 111.5 59.8 -67.7 -42.8 -43.8 45.6 15.8 101 102 A G H X S+ 0 0 0 -4,-3.7 4,-1.9 1,-0.2 -2,-0.2 0.816 101.3 53.0 -58.9 -36.4 -45.4 49.0 16.6 102 103 A R H X S+ 0 0 115 -4,-1.8 4,-3.3 2,-0.2 5,-0.3 0.886 99.5 62.0 -68.8 -39.3 -42.6 51.0 15.0 103 104 A Q H X S+ 0 0 124 -4,-0.9 4,-2.1 -3,-0.2 -1,-0.2 0.890 108.3 44.5 -53.0 -41.6 -42.9 49.1 11.7 104 105 A L H X S+ 0 0 17 -4,-1.2 4,-2.8 2,-0.2 5,-0.5 0.967 112.4 50.3 -65.6 -54.3 -46.5 50.4 11.4 105 106 A T H X S+ 0 0 21 -4,-1.9 4,-1.1 1,-0.2 -2,-0.2 0.896 114.9 44.6 -49.4 -46.7 -45.5 54.0 12.5 106 107 A Q H < S+ 0 0 153 -4,-3.3 -1,-0.2 2,-0.2 4,-0.2 0.879 119.7 41.4 -69.0 -39.9 -42.8 54.0 9.9 107 108 A N H >< S+ 0 0 92 -4,-2.1 3,-0.6 -5,-0.3 -2,-0.2 0.980 124.8 28.8 -71.3 -60.1 -44.9 52.4 7.1 108 109 A F H 3< S+ 0 0 32 -4,-2.8 -3,-0.2 1,-0.2 -2,-0.2 0.444 125.4 43.0 -90.7 -1.4 -48.3 54.1 7.4 109 110 A L T 3< + 0 0 28 -4,-1.1 2,-0.5 -5,-0.5 -1,-0.2 0.054 66.8 143.6-133.7 27.0 -47.1 57.5 8.9 110 111 A S < - 0 0 58 -3,-0.6 3,-0.2 -4,-0.2 -4,-0.1 -0.587 42.7-149.1 -66.2 117.2 -44.0 58.4 6.8 111 112 A H S S+ 0 0 178 -2,-0.5 -1,-0.2 1,-0.2 4,-0.0 0.662 93.7 51.1 -68.5 -17.0 -44.4 62.2 6.5 112 113 A T S S+ 0 0 123 2,-0.1 -1,-0.2 3,-0.0 3,-0.1 0.834 102.4 69.3 -84.8 -37.7 -42.6 62.2 3.1 113 114 A G S S- 0 0 29 -3,-0.2 -5,-0.0 1,-0.2 0, 0.0 -0.075 101.9 -59.5 -74.9 178.1 -44.8 59.5 1.5 114 115 A P - 0 0 105 0, 0.0 -1,-0.2 0, 0.0 -4,-0.1 -0.091 62.0 -95.8 -58.4 157.3 -48.5 59.7 0.5 115 116 A D - 0 0 108 1,-0.1 -6,-0.1 -3,-0.1 -4,-0.0 -0.394 18.3-138.9 -75.2 151.3 -51.2 60.5 3.0 116 117 A L S S+ 0 0 14 1,-0.2 -37,-0.1 -8,-0.1 -1,-0.1 0.975 88.5 12.3 -71.9 -59.2 -53.2 57.7 4.7 117 118 A I S S- 0 0 21 1,-0.0 3,-0.4 -38,-0.0 -1,-0.2 -0.793 87.3-105.2-114.2 161.4 -56.6 59.5 4.5 118 119 A P S S+ 0 0 93 0, 0.0 2,-0.3 0, 0.0 -3,-0.1 0.803 114.0 28.9 -55.5 -32.4 -57.5 62.6 2.5 119 120 A E S S+ 0 0 165 2,-0.0 0, 0.0 -4,-0.0 0, 0.0 -0.797 70.5 166.5-135.2 92.6 -57.5 64.8 5.6 120 121 A V - 0 0 37 -3,-0.4 5,-0.1 -2,-0.3 24,-0.0 -0.908 34.7-130.0-108.7 106.7 -55.2 63.7 8.5 121 122 A P - 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0 0 39 182,-0.3 -1,-0.3 1,-0.1 181,-0.2 -0.493 61.8-104.6 -79.7 140.1 -48.5 52.7 -20.3 581 27 B S > - 0 0 18 179,-2.1 3,-2.0 -2,-0.2 4,-0.2 -0.357 28.9-117.6 -60.3 137.1 -48.7 55.8 -18.2 582 28 B K T 3 S+ 0 0 189 1,-0.3 3,-0.3 2,-0.1 -1,-0.1 0.754 117.2 48.2 -48.3 -25.9 -47.7 55.2 -14.6 583 29 B K T 3> S+ 0 0 124 1,-0.2 4,-1.3 2,-0.1 3,-0.4 -0.162 74.1 122.2-108.4 39.3 -51.3 56.2 -13.6 584 30 B W H <> + 0 0 19 -3,-2.0 4,-1.4 1,-0.2 -1,-0.2 0.868 64.5 62.7 -69.6 -38.5 -53.1 54.1 -16.2 585 31 B R H 4 S+ 0 0 123 -3,-0.3 -1,-0.2 1,-0.2 -2,-0.1 0.818 105.8 49.1 -58.9 -29.4 -55.2 52.1 -13.7 586 32 B Q H >4 S+ 0 0 141 -3,-0.4 3,-1.3 1,-0.2 -1,-0.2 0.883 107.2 53.7 -73.0 -40.9 -56.8 55.4 -12.8 587 33 B M H 3< S+ 0 0 69 -4,-1.3 -2,-0.2 1,-0.3 -1,-0.2 0.724 114.9 42.4 -65.2 -21.7 -57.4 56.3 -16.4 588 34 B L T 3< S+ 0 0 13 -4,-1.4 -1,-0.3 173,-0.1 2,-0.3 -0.126 80.0 149.2-117.1 35.1 -59.2 52.9 -16.8 589 35 B Q < - 0 0 101 -3,-1.3 -3,-0.1 -5,-0.1 -4,-0.0 -0.507 49.6-116.3 -72.9 132.1 -61.3 52.9 -13.7 590 36 B F - 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0 0 144 1,-0.1 2,-1.3 2,-0.1 -1,-0.1 -0.483 21.2-130.7 -62.0 133.7 -79.4 46.1 -28.6 605 51 B R + 0 0 110 -2,-0.2 2,-0.6 -3,-0.1 -1,-0.1 -0.690 46.4 156.8 -94.2 86.6 -79.4 42.6 -27.4 606 52 B D > - 0 0 59 -2,-1.3 4,-2.7 1,-0.2 3,-0.4 -0.846 38.9-152.8-127.3 94.8 -78.0 40.9 -30.4 607 53 B Y H > S+ 0 0 32 -2,-0.6 4,-2.3 1,-0.2 5,-0.2 0.771 98.7 50.5 -26.5 -52.1 -76.3 37.5 -30.0 608 54 B H H >>S+ 0 0 65 2,-0.2 5,-2.5 1,-0.2 4,-1.3 0.971 116.8 36.5 -60.4 -57.4 -74.2 38.3 -33.0 609 55 B S H 4>S+ 0 0 40 -3,-0.4 5,-1.3 1,-0.2 -2,-0.2 0.909 125.5 40.6 -60.6 -42.5 -73.0 41.7 -32.0 610 56 B L H <5S+ 0 0 2 -4,-2.7 11,-0.2 1,-0.2 -1,-0.2 0.686 128.4 23.5 -85.5 -21.8 -72.7 40.9 -28.3 611 57 B C H <5S+ 0 0 3 -4,-2.3 -3,-0.2 -5,-0.4 -1,-0.2 0.295 131.7 23.0-129.5 6.7 -71.2 37.3 -28.3 612 58 B E T <5S+ 0 0 23 -4,-1.3 -76,-0.6 -5,-0.2 -3,-0.2 0.559 120.3 37.5-138.8 -53.2 -69.4 37.0 -31.7 613 59 B R T S+ 0 0 25 0, 0.0 4,-3.2 0, 0.0 5,-0.2 0.760 95.2 42.6 -40.3 -54.3 -64.1 40.5 -29.0 616 62 B I H > S+ 0 0 1 1,-0.2 4,-3.5 2,-0.2 5,-0.4 0.982 113.4 54.8 -56.6 -52.3 -64.5 41.4 -25.3 617 63 B G H > S+ 0 0 0 -3,-0.3 4,-2.7 1,-0.2 -1,-0.2 0.916 112.5 44.1 -37.8 -54.9 -68.2 40.6 -25.7 618 64 B R H X S+ 0 0 42 -4,-2.2 4,-3.4 2,-0.2 5,-0.3 0.980 113.3 48.2 -60.2 -63.2 -67.1 37.2 -27.0 619 65 B L H X S+ 0 0 7 -4,-3.2 4,-3.5 1,-0.3 5,-0.2 0.917 113.8 48.5 -38.7 -57.0 -64.4 36.6 -24.3 620 66 B L H X S+ 0 0 0 -4,-3.5 4,-1.8 -5,-0.2 -1,-0.3 0.909 113.2 47.3 -56.7 -42.8 -66.8 37.6 -21.6 621 67 B F H X S+ 0 0 9 -4,-2.7 4,-2.5 -5,-0.4 -2,-0.2 0.952 112.3 49.3 -63.6 -48.1 -69.5 35.3 -23.0 622 68 B R H X S+ 0 0 32 -4,-3.4 4,-2.0 1,-0.2 -2,-0.2 0.939 109.0 53.8 -50.7 -51.6 -67.0 32.5 -23.3 623 69 B E H X S+ 0 0 2 -4,-3.5 4,-0.6 -5,-0.3 -1,-0.2 0.868 108.1 49.9 -54.1 -39.3 -65.9 33.1 -19.7 624 70 B F H >< S+ 0 0 14 -4,-1.8 3,-1.8 -5,-0.2 4,-0.4 0.943 107.9 51.8 -67.8 -45.2 -69.5 32.8 -18.6 625 71 B C H >< S+ 0 0 1 -4,-2.5 3,-1.5 1,-0.3 7,-0.6 0.823 98.4 69.2 -58.1 -32.1 -70.0 29.5 -20.5 626 72 B A H 3< S+ 0 0 26 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.774 88.8 63.3 -58.4 -26.6 -66.9 28.3 -18.7 627 73 B T T << S+ 0 0 68 -3,-1.8 -1,-0.3 -4,-0.6 -2,-0.2 0.757 101.9 55.0 -70.6 -22.9 -68.9 28.3 -15.4 628 74 B R S <> S- 0 0 25 -3,-1.5 4,-3.5 -4,-0.4 3,-0.4 -0.951 72.7-151.0-120.2 117.7 -71.3 25.6 -16.7 629 75 B P H > S+ 0 0 95 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.835 97.0 55.5 -57.4 -39.2 -69.8 22.3 -18.1 630 76 B E H > S+ 0 0 70 1,-0.2 4,-1.2 2,-0.2 -4,-0.1 0.931 117.0 37.5 -58.7 -44.6 -72.7 21.7 -20.5 631 77 B L H > S+ 0 0 0 -3,-0.4 4,-1.7 -6,-0.2 -1,-0.2 0.874 110.7 61.5 -73.1 -39.5 -72.0 25.1 -22.0 632 78 B S H X S+ 0 0 53 -4,-3.5 4,-2.3 -7,-0.6 3,-0.2 0.922 104.6 47.2 -53.3 -47.9 -68.2 24.8 -21.7 633 79 B R H X S+ 0 0 51 -4,-2.3 4,-2.8 1,-0.2 -1,-0.2 0.891 102.7 62.4 -67.5 -38.4 -68.0 21.8 -23.9 634 80 B C H X S+ 0 0 0 -4,-1.2 4,-2.4 -5,-0.2 -1,-0.2 0.930 109.1 43.9 -45.3 -49.4 -70.2 23.4 -26.6 635 81 B V H X S+ 0 0 26 -4,-1.7 4,-2.8 2,-0.2 5,-0.3 0.990 109.9 53.1 -61.2 -60.7 -67.5 26.0 -26.9 636 82 B A H X S+ 0 0 41 -4,-2.3 4,-1.7 1,-0.3 -1,-0.2 0.825 111.4 50.9 -41.8 -37.3 -64.7 23.5 -26.8 637 83 B F H X S+ 0 0 1 -4,-2.8 4,-2.2 2,-0.2 -1,-0.3 0.950 107.9 47.8 -69.0 -52.2 -66.5 21.8 -29.7 638 84 B L H X S+ 0 0 30 -4,-2.4 4,-3.2 1,-0.2 -2,-0.2 0.915 110.6 54.6 -56.4 -42.9 -67.0 24.9 -31.8 639 85 B D H X S+ 0 0 55 -4,-2.8 4,-2.6 2,-0.2 -1,-0.2 0.905 107.1 50.5 -54.3 -47.1 -63.2 25.6 -31.3 640 86 B G H X S+ 0 0 13 -4,-1.7 4,-2.9 -5,-0.3 -2,-0.2 0.949 113.2 44.1 -57.3 -53.8 -62.3 22.2 -32.6 641 87 B V H X S+ 0 0 3 -4,-2.2 4,-3.1 2,-0.2 5,-0.2 0.919 111.1 54.8 -58.1 -47.3 -64.4 22.5 -35.7 642 88 B A H X S+ 0 0 20 -4,-3.2 4,-0.6 1,-0.2 -1,-0.2 0.934 113.7 41.5 -50.3 -50.4 -63.1 26.1 -36.3 643 89 B E H >X S+ 0 0 44 -4,-2.6 3,-0.8 1,-0.2 4,-0.7 0.879 112.6 55.7 -65.5 -39.8 -59.6 24.7 -36.1 644 90 B Y H >< S+ 0 0 1 -4,-2.9 3,-1.3 1,-0.2 -2,-0.2 0.922 100.7 56.8 -60.0 -47.5 -60.6 21.7 -38.2 645 91 B E H 3< S+ 0 0 78 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.713 114.8 39.9 -57.9 -22.4 -61.9 23.8 -41.1 646 92 B V H << S+ 0 0 22 -3,-0.8 -1,-0.3 -4,-0.6 -2,-0.2 0.424 89.8 109.5-106.8 -2.9 -58.5 25.5 -41.3 647 93 B T S << S- 0 0 7 -3,-1.3 5,-0.1 -4,-0.7 -94,-0.1 -0.565 75.9-107.5 -74.2 136.6 -56.4 22.3 -40.8 648 94 B P >> - 0 0 8 0, 0.0 4,-1.3 0, 0.0 3,-1.1 -0.114 27.6-103.7 -66.3 164.9 -54.5 21.2 -44.0 649 95 B D H 3> S+ 0 0 126 1,-0.2 4,-0.5 2,-0.2 3,-0.1 0.812 114.0 57.8 -58.3 -39.7 -55.5 18.1 -46.0 650 96 B D H 34 S+ 0 0 134 1,-0.2 -1,-0.2 2,-0.1 4,-0.1 0.693 119.8 27.8 -71.9 -20.4 -52.7 15.8 -44.8 651 97 B K H <> S+ 0 0 78 -3,-1.1 4,-2.0 -99,-0.1 3,-0.4 0.488 96.1 97.1-110.7 -8.7 -53.6 16.1 -41.1 652 98 B R H X S+ 0 0 18 -4,-1.3 4,-2.7 1,-0.3 3,-0.3 0.896 82.6 44.7 -56.0 -57.4 -57.4 16.8 -41.5 653 99 B K H X S+ 0 0 126 -4,-0.5 4,-1.4 1,-0.2 -1,-0.3 0.817 112.9 55.3 -60.3 -30.0 -58.9 13.3 -41.0 654 100 B A H > S+ 0 0 66 -3,-0.4 4,-1.0 2,-0.2 -1,-0.2 0.913 111.6 42.3 -64.9 -45.1 -56.5 12.8 -38.0 655 101 B C H X S+ 0 0 27 -4,-2.0 4,-1.1 -3,-0.3 -2,-0.2 0.822 109.2 60.3 -70.5 -33.4 -57.8 16.0 -36.4 656 102 B G H X S+ 0 0 0 -4,-2.7 4,-2.1 -5,-0.2 3,-0.2 0.857 103.4 49.4 -62.3 -38.1 -61.4 15.1 -37.3 657 103 B R H X S+ 0 0 106 -4,-1.4 4,-2.4 1,-0.2 5,-0.3 0.796 100.1 65.2 -74.3 -30.0 -61.4 11.9 -35.3 658 104 B Q H X S+ 0 0 127 -4,-1.0 4,-0.9 2,-0.2 -1,-0.2 0.881 110.4 38.7 -54.7 -40.6 -59.9 13.7 -32.2 659 105 B L H X>S+ 0 0 15 -4,-1.1 4,-3.0 -3,-0.2 5,-0.6 0.958 112.4 54.5 -75.6 -54.9 -63.2 15.6 -32.1 660 106 B T H X5S+ 0 0 25 -4,-2.1 4,-2.0 1,-0.3 -2,-0.2 0.899 111.9 44.4 -45.3 -54.4 -65.6 12.7 -33.0 661 107 B Q H <5S+ 0 0 150 -4,-2.4 -1,-0.3 2,-0.2 -2,-0.2 0.812 120.9 41.6 -63.8 -33.1 -64.2 10.5 -30.3 662 108 B N H ><5S+ 0 0 90 -4,-0.9 3,-0.6 -3,-0.4 -2,-0.2 0.975 126.3 25.2 -76.8 -61.8 -64.3 13.3 -27.7 663 109 B F H 3<5S+ 0 0 29 -4,-3.0 -3,-0.2 1,-0.2 -2,-0.2 0.642 126.1 42.8 -86.5 -16.7 -67.6 15.2 -28.4 664 110 B L T 3<< + 0 0 33 -4,-2.0 2,-0.5 -5,-0.6 -1,-0.2 -0.131 67.3 138.7-127.1 38.6 -69.7 12.4 -30.0 665 111 B S < - 0 0 52 -3,-0.6 3,-0.3 -4,-0.2 -4,-0.1 -0.744 47.6-144.9 -78.1 125.5 -69.1 9.3 -27.9 666 112 B H S S+ 0 0 189 -2,-0.5 -1,-0.1 1,-0.2 4,-0.0 0.472 94.7 57.1 -76.1 -1.0 -72.5 7.7 -27.5 667 113 B T S S+ 0 0 132 2,-0.1 -1,-0.2 3,-0.0 3,-0.1 0.814 99.8 64.8 -90.1 -39.8 -71.6 6.4 -23.9 668 114 B G S S- 0 0 33 -3,-0.3 -5,-0.0 1,-0.2 0, 0.0 0.000 99.7 -56.7 -79.4-176.3 -70.8 9.9 -22.4 669 115 B P - 0 0 102 0, 0.0 -1,-0.2 0, 0.0 -4,-0.2 -0.100 62.0 -94.7 -60.4 158.5 -72.9 13.0 -21.7 670 116 B D - 0 0 108 1,-0.1 -6,-0.1 -3,-0.1 -4,-0.0 -0.363 18.3-142.2 -73.3 152.8 -74.9 14.8 -24.5 671 117 B L S S+ 0 0 12 1,-0.3 -37,-0.2 -8,-0.1 -1,-0.1 0.975 89.4 13.7 -74.4 -68.4 -73.6 17.8 -26.4 672 118 B I S S- 0 0 19 1,-0.1 3,-0.3 -38,-0.0 -1,-0.3 -0.772 89.7-107.3-103.4 155.3 -76.8 19.7 -26.6 673 119 B P S S+ 0 0 85 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.809 113.1 32.2 -49.7 -35.6 -79.9 18.8 -24.5 674 120 B E S S+ 0 0 170 2,-0.0 0, 0.0 -4,-0.0 0, 0.0 -0.866 71.4 166.8-131.2 98.1 -81.7 17.4 -27.7 675 121 B V - 0 0 37 -2,-0.4 5,-0.1 -3,-0.3 24,-0.0 -0.924 32.7-131.8-115.8 106.6 -79.4 15.8 -30.3 676 122 B P - 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