==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-DEC-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 26-JAN-12 4DGL . COMPND 2 MOLECULE: CASEIN KINASE II SUBUNIT BETA; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR G.LOLLI,R.BATTISTUTTA . 1063 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 51585.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 687 64.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 0.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 114 10.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.4 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 . 74 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 142 13.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 304 28.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 1.7 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 8 4 2 2 5 1 3 1 3 3 0 0 2 0 0 0 4 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 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 PARALLEL BRIDGES PER LADDER . 7 6 1 3 4 0 3 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 . 2 2 2 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 8 A S > 0 0 104 0, 0.0 4,-1.1 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 153.4 10.4 -16.5 -6.2 2 9 A W H > + 0 0 26 44,-0.4 4,-2.5 2,-0.2 5,-0.2 0.893 360.0 55.4 -71.8 -41.2 12.4 -15.1 -3.3 3 10 A I H > S+ 0 0 17 43,-0.6 4,-2.0 1,-0.2 5,-0.2 0.922 108.4 46.6 -57.3 -49.2 15.6 -14.6 -5.3 4 11 A S H > S+ 0 0 55 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.806 114.1 48.9 -67.5 -31.3 14.1 -12.4 -8.0 5 12 A W H < S+ 0 0 136 -4,-1.1 4,-0.3 2,-0.2 3,-0.3 0.912 110.6 48.8 -75.0 -44.5 12.3 -10.3 -5.4 6 13 A F H >< S+ 0 0 6 -4,-2.5 3,-1.0 1,-0.2 -2,-0.2 0.898 112.8 46.7 -62.0 -44.9 15.3 -9.7 -3.2 7 14 A C H 3< S+ 0 0 17 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.661 110.5 55.7 -70.5 -20.1 17.5 -8.6 -6.1 8 15 A G T 3< S+ 0 0 66 -4,-0.6 -1,-0.2 -3,-0.3 -2,-0.2 0.399 88.9 109.3 -90.6 -1.6 14.7 -6.4 -7.3 9 16 A L S X S- 0 0 58 -3,-1.0 3,-1.2 -4,-0.3 2,-0.8 -0.254 84.1 -86.0 -76.9 164.4 14.5 -4.5 -3.9 10 17 A R T 3 S+ 0 0 187 1,-0.2 -1,-0.1 2,-0.1 -2,-0.1 -0.591 115.6 15.9 -78.2 105.8 15.6 -0.9 -3.3 11 18 A G T 3 S+ 0 0 4 -2,-0.8 3,-0.4 -4,-0.1 -1,-0.2 0.087 102.6 90.4 120.3 -17.8 19.3 -0.9 -2.4 12 19 A N X + 0 0 24 -3,-1.2 3,-0.9 1,-0.2 -3,-0.1 -0.000 44.5 118.0-100.2 29.0 20.1 -4.4 -3.8 13 20 A E T 3 + 0 0 57 1,-0.2 -1,-0.2 -5,-0.1 -3,-0.1 0.788 68.9 63.0 -65.2 -29.1 21.0 -3.2 -7.3 14 21 A F T 3 S+ 0 0 5 -3,-0.4 -1,-0.2 78,-0.1 -2,-0.1 0.737 88.4 89.2 -68.6 -26.0 24.6 -4.5 -6.9 15 22 A F < - 0 0 6 -3,-0.9 2,-0.3 -8,-0.1 130,-0.0 -0.388 65.6-148.2 -73.8 148.0 23.4 -8.1 -6.5 16 23 A C - 0 0 5 -2,-0.1 2,-0.8 54,-0.0 67,-0.1 -0.823 32.9 -95.7-107.3 158.7 22.9 -10.5 -9.4 17 24 A E - 0 0 102 -2,-0.3 2,-0.3 65,-0.1 -13,-0.1 -0.639 40.4-138.7 -75.8 106.5 20.2 -13.3 -9.4 18 25 A V - 0 0 4 -2,-0.8 2,-0.1 1,-0.1 -15,-0.1 -0.514 22.8-112.4 -67.0 124.9 22.0 -16.5 -8.2 19 26 A D >> - 0 0 48 -2,-0.3 4,-1.1 1,-0.2 3,-0.9 -0.386 11.1-142.0 -57.7 130.7 21.0 -19.5 -10.3 20 27 A E H 3> S+ 0 0 111 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.774 101.5 72.6 -64.5 -28.6 19.0 -22.0 -8.2 21 28 A D H 3> S+ 0 0 130 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.879 101.7 41.8 -43.4 -47.7 21.0 -24.6 -10.2 22 29 A Y H <4 S+ 0 0 37 -3,-0.9 6,-0.3 2,-0.2 -1,-0.2 0.831 114.0 50.4 -75.4 -37.2 24.0 -23.6 -8.1 23 30 A I H < S+ 0 0 2 -4,-1.1 -2,-0.2 1,-0.2 -1,-0.2 0.795 104.2 57.4 -77.7 -29.6 22.1 -23.4 -4.7 24 31 A Q H < S+ 0 0 122 -4,-2.7 2,-1.1 1,-0.1 -1,-0.2 0.845 89.3 78.8 -70.6 -34.4 20.5 -26.8 -5.0 25 32 A D S >< S- 0 0 81 -4,-0.8 3,-1.3 -5,-0.2 4,-0.3 -0.653 73.7-160.0 -70.9 102.0 23.9 -28.5 -5.4 26 33 A K T 3 S+ 0 0 121 -2,-1.1 3,-0.4 1,-0.3 -1,-0.2 0.531 75.0 87.6 -71.5 -1.5 24.9 -28.4 -1.6 27 34 A F T > S+ 0 0 51 1,-0.2 3,-0.6 2,-0.1 -1,-0.3 0.873 88.4 50.4 -53.3 -42.2 28.6 -28.9 -2.5 28 35 A N T < S+ 0 0 34 -3,-1.3 -1,-0.2 -6,-0.3 -2,-0.2 0.681 97.9 65.9 -75.4 -23.3 28.9 -25.0 -2.8 29 36 A L T > S+ 0 0 6 -3,-0.4 3,-0.9 -4,-0.3 4,-0.3 -0.017 71.2 149.5 -94.4 30.7 27.3 -24.2 0.5 30 37 A T T < + 0 0 77 -3,-0.6 -3,-0.1 1,-0.2 -2,-0.0 -0.404 66.5 5.1 -73.0 135.6 30.0 -25.7 2.7 31 38 A G T > S+ 0 0 24 -2,-0.1 3,-1.2 1,-0.1 -1,-0.2 0.234 94.9 110.4 84.3 -13.7 30.8 -24.2 6.1 32 39 A L G X> + 0 0 1 -3,-0.9 4,-1.4 1,-0.3 3,-1.0 0.651 64.6 68.8 -72.4 -16.8 27.9 -21.8 5.9 33 40 A N G 34 S+ 0 0 86 -4,-0.3 -1,-0.3 1,-0.2 6,-0.2 0.777 99.9 49.3 -67.6 -28.5 25.9 -23.6 8.6 34 41 A E G <4 S+ 0 0 165 -3,-1.2 -1,-0.2 1,-0.1 -2,-0.2 0.257 109.4 54.3 -94.6 11.6 28.5 -22.5 11.2 35 42 A Q T <4 S+ 0 0 95 -3,-1.0 -2,-0.2 1,-0.3 -1,-0.1 0.689 108.4 39.4-114.7 -34.7 28.3 -18.9 10.0 36 43 A V S < S- 0 0 6 -4,-1.4 3,-0.4 29,-0.0 -1,-0.3 -0.962 76.4-127.4-120.6 137.5 24.6 -18.1 10.2 37 44 A P S S+ 0 0 85 0, 0.0 -3,-0.1 0, 0.0 5,-0.0 -0.459 93.7 26.9 -72.4 157.3 22.0 -19.1 12.9 38 45 A H S > S+ 0 0 76 -2,-0.1 4,-1.5 -5,-0.1 5,-0.2 0.889 76.2 165.0 54.6 47.6 18.8 -20.9 11.8 39 46 A Y H > + 0 0 42 -3,-0.4 4,-1.8 -6,-0.2 5,-0.1 0.846 66.2 47.9 -64.3 -42.0 20.6 -22.2 8.7 40 47 A R H > S+ 0 0 117 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.892 116.4 42.5 -69.1 -42.8 18.0 -24.9 7.7 41 48 A Q H > S+ 0 0 104 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.716 114.4 52.4 -78.6 -20.1 15.0 -22.6 8.0 42 49 A A H X S+ 0 0 0 -4,-1.5 4,-0.6 2,-0.2 -2,-0.2 0.806 107.4 51.1 -80.3 -34.2 16.9 -19.7 6.3 43 50 A L H X S+ 0 0 4 -4,-1.8 4,-1.2 1,-0.2 3,-0.4 0.806 105.5 58.1 -70.9 -31.5 17.9 -21.9 3.3 44 51 A D H <>S+ 0 0 56 -4,-1.2 5,-1.9 1,-0.2 4,-0.2 0.826 100.0 56.2 -66.3 -36.2 14.2 -22.9 2.9 45 52 A M H <5S+ 0 0 67 -4,-0.7 3,-0.3 1,-0.2 -1,-0.2 0.715 104.4 54.7 -69.9 -23.1 13.0 -19.3 2.5 46 53 A I H <5S+ 0 0 1 -4,-0.6 -43,-0.6 -3,-0.4 -44,-0.4 0.875 111.1 41.4 -79.8 -40.0 15.4 -18.8 -0.4 47 54 A L T <5S- 0 0 27 -4,-1.2 -1,-0.2 -45,-0.1 -2,-0.2 0.238 107.5-121.7 -94.2 14.6 14.2 -21.8 -2.5 48 55 A D T 5 0 0 96 -3,-0.3 -3,-0.2 -4,-0.2 -4,-0.1 0.841 360.0 360.0 55.1 44.9 10.4 -21.1 -1.8 49 56 A L < 0 0 154 -5,-1.9 -1,-0.2 0, 0.0 -5,-0.0 -0.445 360.0 360.0 -82.0 360.0 9.9 -24.5 -0.2 50 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 51 65 A N > 0 0 139 0, 0.0 4,-1.1 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 78.7 4.3 -16.7 15.2 52 66 A P T 4 + 0 0 108 0, 0.0 4,-0.1 0, 0.0 0, 0.0 0.396 360.0 70.5 -81.4 6.0 5.7 -13.1 15.0 53 67 A N T > S+ 0 0 129 3,-0.1 4,-0.6 2,-0.1 3,-0.1 0.949 111.4 17.8 -81.0 -57.8 8.7 -14.1 17.2 54 68 A Q H >> S+ 0 0 84 2,-0.2 4,-2.5 1,-0.2 3,-0.7 0.877 113.0 68.1 -87.2 -44.0 10.8 -16.4 14.9 55 69 A S H 3X S+ 0 0 59 -4,-1.1 4,-0.6 1,-0.3 -1,-0.2 0.684 101.6 52.8 -55.8 -22.1 9.4 -15.6 11.4 56 70 A D H 3> S+ 0 0 88 2,-0.2 4,-0.9 -5,-0.1 -1,-0.3 0.880 111.4 43.4 -76.6 -44.0 11.0 -12.1 11.7 57 71 A L H X S+ 0 0 3 -4,-2.3 4,-3.0 1,-0.2 3,-0.7 0.889 106.0 57.5 -62.2 -42.9 26.5 -17.4 -1.1 70 84 A H H 3X S+ 0 0 0 -4,-2.7 4,-2.7 1,-0.2 -1,-0.2 0.895 99.4 58.6 -53.6 -43.7 26.7 -14.4 -3.5 71 85 A A H 3< S+ 0 0 14 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.789 113.7 38.1 -60.4 -32.0 30.3 -13.8 -2.4 72 86 A R H XX S+ 0 0 70 -4,-0.9 3,-1.4 -3,-0.7 4,-0.5 0.873 114.3 55.4 -81.0 -43.6 31.2 -17.3 -3.6 73 87 A Y H >< S+ 0 0 2 -4,-3.0 3,-1.4 1,-0.3 6,-0.6 0.860 100.8 56.2 -61.4 -41.5 28.9 -17.3 -6.6 74 88 A I T 3< S+ 0 0 0 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.1 0.497 99.5 62.2 -77.3 -2.0 30.3 -14.1 -8.2 75 89 A L T <4 S+ 0 0 24 -3,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.650 89.8 88.7 -89.5 -19.9 33.8 -15.7 -8.2 76 90 A T S S+ 0 0 76 1,-0.2 4,-2.0 2,-0.2 -1,-0.1 0.811 121.0 44.3 -48.5 -40.4 32.6 -18.2 -14.4 78 92 A R H > S+ 0 0 131 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.935 114.6 47.1 -70.1 -51.1 28.8 -18.0 -14.5 79 93 A G H > S+ 0 0 0 -6,-0.6 4,-1.6 1,-0.2 -2,-0.2 0.824 113.2 51.8 -58.8 -34.4 28.6 -15.5 -11.6 80 94 A I H X S+ 0 0 0 -4,-3.2 4,-2.9 -7,-0.2 -1,-0.2 0.941 107.9 50.2 -64.5 -49.0 31.3 -13.5 -13.3 81 95 A A H X S+ 0 0 47 -4,-2.0 4,-1.0 -5,-0.2 -2,-0.2 0.825 110.2 50.8 -61.0 -34.6 29.5 -13.4 -16.6 82 96 A Q H X S+ 0 0 27 -4,-2.0 4,-1.2 2,-0.2 -1,-0.2 0.893 114.0 42.6 -72.3 -41.2 26.3 -12.2 -14.9 83 97 A M H X S+ 0 0 0 -4,-1.6 4,-2.6 1,-0.2 -2,-0.2 0.890 109.5 59.0 -70.2 -39.2 28.0 -9.3 -13.0 84 98 A L H X S+ 0 0 13 -4,-2.9 4,-1.3 1,-0.2 -1,-0.2 0.753 103.0 53.6 -58.7 -30.3 30.0 -8.5 -16.2 85 99 A E H X S+ 0 0 102 -4,-1.0 4,-0.6 2,-0.2 -1,-0.2 0.876 110.6 45.2 -70.3 -42.0 26.6 -7.9 -17.9 86 100 A K H ><>S+ 0 0 35 -4,-1.2 5,-2.5 1,-0.2 3,-0.6 0.849 110.0 56.2 -68.0 -37.3 25.6 -5.5 -15.2 87 101 A Y H ><5S+ 0 0 16 -4,-2.6 3,-1.0 1,-0.2 -1,-0.2 0.836 101.6 56.1 -63.2 -36.5 29.1 -3.9 -15.4 88 102 A Q H 3<5S+ 0 0 102 -4,-1.3 -1,-0.2 1,-0.3 -2,-0.2 0.681 111.6 43.8 -73.6 -16.6 28.6 -3.2 -19.2 89 103 A Q T <<5S- 0 0 125 -3,-0.6 -1,-0.3 -4,-0.6 -2,-0.2 0.219 115.2-118.2-106.9 8.2 25.4 -1.3 -18.3 90 104 A G T X 5 + 0 0 11 -3,-1.0 3,-1.5 1,-0.1 -3,-0.2 0.772 58.3 153.5 64.5 33.3 27.1 0.5 -15.4 91 105 A D T 3 < + 0 0 68 -5,-2.5 -4,-0.1 1,-0.3 -1,-0.1 0.585 68.9 61.2 -64.3 -12.3 24.8 -0.8 -12.7 92 106 A F T 3 S- 0 0 0 1,-0.4 -1,-0.3 13,-0.3 -2,-0.1 0.204 112.4-109.3-104.5 15.5 27.6 -0.3 -10.2 93 107 A G < - 0 0 25 -3,-1.5 12,-1.8 12,-0.1 -1,-0.4 -0.167 36.2 -81.2 82.2 178.8 28.0 3.4 -10.6 94 108 A Y B -A 104 0A 124 10,-0.2 39,-0.1 -3,-0.1 9,-0.1 -0.907 45.5 -89.9-126.1 149.8 30.7 5.5 -12.3 95 109 A C - 0 0 0 8,-2.5 7,-0.6 -2,-0.3 5,-0.1 -0.360 24.0-153.5 -63.6 126.8 34.2 6.6 -11.0 96 110 A P + 0 0 24 0, 0.0 245,-2.5 0, 0.0 -1,-0.1 0.739 66.0 105.6 -74.3 -21.8 34.2 10.0 -9.3 97 111 A R B > > -B 340 0B 21 243,-0.2 3,-0.8 1,-0.1 5,-0.7 -0.333 69.6-141.6 -56.2 135.7 37.9 10.6 -10.3 98 112 A V G > 5S+ 0 0 20 241,-2.6 3,-1.7 1,-0.2 -1,-0.1 0.937 96.4 52.0 -70.0 -46.5 37.9 13.2 -13.1 99 113 A Y G 3 5S+ 0 0 48 240,-0.4 68,-0.3 1,-0.3 -1,-0.2 0.277 98.3 65.8 -80.6 12.8 40.7 11.6 -15.1 100 114 A C G < 5S- 0 0 0 -3,-0.8 -1,-0.3 -5,-0.1 3,-0.2 0.496 98.1-141.2 -98.7 -13.8 39.1 8.2 -15.1 101 115 A E T < 5 - 0 0 127 -3,-1.7 -3,-0.1 -4,-0.3 -2,-0.1 0.876 62.9 -49.3 56.4 49.8 36.3 9.8 -17.2 102 116 A N S S- 0 0 79 1,-0.1 3,-1.0 31,-0.0 4,-0.4 -0.738 86.7-110.4 -89.1 131.6 33.6 -11.2 7.7 114 128 A P T 3 S+ 0 0 39 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.114 92.9 25.4 -58.3 153.0 30.1 -9.7 8.1 115 129 A G T 3 S+ 0 0 64 2,-0.2 3,-0.1 1,-0.1 -2,-0.0 0.367 98.0 91.1 82.2 -3.4 29.3 -6.5 10.1 116 130 A E S < S+ 0 0 113 -3,-1.0 2,-0.3 1,-0.3 -1,-0.1 0.851 94.3 3.3 -94.7 -39.1 32.8 -5.1 9.8 117 131 A A - 0 0 22 -4,-0.4 25,-2.3 -6,-0.1 26,-0.5 -0.994 66.1-124.0-149.2 147.4 32.5 -2.9 6.7 118 132 A M B -H 141 0D 71 -2,-0.3 -8,-0.5 23,-0.3 23,-0.2 -0.326 50.9 -72.4 -82.4 172.0 29.9 -1.8 4.1 119 133 A V E -E 109 0C 2 21,-2.8 2,-0.2 18,-0.3 -10,-0.2 -0.344 51.3-169.6 -70.3 145.1 30.1 -2.4 0.4 120 134 A K E -E 108 0C 32 -12,-2.7 -12,-2.3 11,-0.1 2,-0.5 -0.781 19.4-112.7-129.5 174.4 32.6 -0.3 -1.7 121 135 A L E -EF 107 130C 8 9,-2.8 9,-2.7 -2,-0.2 2,-0.5 -0.946 18.4-152.6-119.5 128.9 33.3 0.4 -5.4 122 136 A Y E -EF 106 129C 0 -16,-4.0 -16,-2.0 -2,-0.5 7,-0.2 -0.827 7.8-148.2 -99.3 128.9 36.5 -0.7 -7.3 123 137 A C > - 0 0 0 5,-2.1 4,-2.2 -2,-0.5 5,-0.2 -0.891 2.2-156.1 -99.3 117.2 37.6 1.3 -10.3 124 138 A P T 4 S+ 0 0 2 0, 0.0 -1,-0.1 0, 0.0 -19,-0.1 0.690 91.7 47.7 -58.8 -23.6 39.4 -0.8 -12.9 125 139 A K T 4 S+ 0 0 30 -21,-0.2 -20,-0.0 3,-0.1 -2,-0.0 0.961 123.9 23.4 -85.9 -63.3 41.2 2.3 -14.2 126 140 A C T 4 S- 0 0 21 2,-0.1 3,-0.1 38,-0.1 -1,-0.1 0.694 93.8-140.4 -79.1 -18.5 42.6 4.1 -11.2 127 141 A M < + 0 0 48 -4,-2.2 2,-0.2 1,-0.2 -1,-0.0 0.699 60.2 117.5 67.1 23.8 42.6 0.9 -9.2 128 142 A D - 0 0 32 -5,-0.2 -5,-2.1 250,-0.0 2,-0.4 -0.662 63.2-113.6-111.1 170.2 41.4 2.6 -5.9 129 143 A V E -F 122 0C 0 -2,-0.2 179,-2.5 -7,-0.2 180,-0.4 -0.872 28.1-167.9-112.9 142.9 38.2 2.0 -3.9 130 144 A Y E -FG 121 307C 3 -9,-2.7 -9,-2.8 -2,-0.4 177,-0.2 -0.931 26.3-110.4-130.4 148.6 35.3 4.6 -3.5 131 145 A T - 0 0 38 175,-2.2 -11,-0.1 -2,-0.3 7,-0.1 -0.644 51.4 -96.2 -76.7 129.6 32.2 4.9 -1.2 132 146 A P - 0 0 3 0, 0.0 -1,-0.1 0, 0.0 5,-0.1 -0.215 27.3-140.8 -49.4 129.1 29.0 4.5 -3.3 133 147 A K S S+ 0 0 120 -39,-0.1 2,-0.5 2,-0.1 -2,-0.0 0.831 84.5 75.0 -64.4 -34.3 27.7 8.0 -4.2 134 148 A S S > S- 0 0 45 1,-0.1 3,-1.6 2,-0.0 4,-0.1 -0.684 76.3-145.0 -82.6 125.4 24.0 7.0 -3.6 135 149 A S T 3 S+ 0 0 94 -2,-0.5 -1,-0.1 1,-0.3 -2,-0.1 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<< - 0 0 20 -3,-1.0 -5,-0.0 -4,-0.9 -42,-0.0 -0.465 58.5-131.1 -63.5 131.1 44.5 -47.1 -18.5 602 199 C G >> - 0 0 0 -2,-0.2 3,-1.4 1,-0.1 4,-1.4 -0.519 26.1-106.4 -78.6 155.6 46.2 -50.5 -18.2 603 200 C P H 3> S+ 0 0 0 0, 0.0 4,-2.2 0, 0.0 6,-0.2 0.786 117.3 68.0 -54.5 -28.2 44.2 -53.7 -18.9 604 201 C E H 34>S+ 0 0 0 1,-0.2 5,-3.5 2,-0.2 4,-0.3 0.887 105.4 41.1 -57.1 -39.7 44.2 -54.4 -15.1 605 202 C L H <45S+ 0 0 11 -3,-1.4 3,-0.3 3,-0.2 -1,-0.2 0.817 112.8 54.8 -76.6 -33.9 42.0 -51.4 -14.6 606 203 C L H <5S+ 0 0 17 -4,-1.4 -2,-0.2 1,-0.2 -1,-0.2 0.757 115.1 36.8 -76.0 -28.1 39.8 -52.1 -17.7 607 204 C V T <5S- 0 0 5 -4,-2.2 -1,-0.2 2,-0.1 60,-0.2 0.343 118.0-109.0-103.4 4.6 38.9 -55.7 -16.7 608 205 C D T 5 + 0 0 93 -3,-0.3 2,-0.6 -4,-0.3 -3,-0.2 0.864 57.5 159.5 70.9 42.2 38.7 -54.8 -13.0 609 206 C Y < - 0 0 6 -5,-3.5 3,-0.4 -6,-0.2 -1,-0.2 -0.872 16.6-173.4 -89.4 120.7 41.7 -56.5 -11.5 610 207 C Q + 0 0 77 -2,-0.6 -19,-3.4 1,-0.2 -1,-0.1 0.531 64.7 74.2 -99.7 -9.3 42.4 -54.7 -8.2 611 208 C M + 0 0 26 -21,-0.2 -23,-0.2 -7,-0.1 -1,-0.2 0.020 69.4 138.6 -95.2 30.0 45.7 -56.1 -6.9 612 209 C Y - 0 0 0 -3,-0.4 2,-0.2 -21,-0.1 -200,-0.1 0.106 29.2-172.0 -65.7 178.8 47.8 -54.2 -9.4 613 210 C D > - 0 0 9 -202,-0.1 3,-2.1 -28,-0.1 4,-0.3 -0.678 48.4 -40.0-150.1-156.1 51.1 -52.4 -8.7 614 211 C Y T >> S+ 0 0 5 1,-0.3 3,-1.9 -2,-0.2 4,-0.7 0.795 117.4 75.6 -51.2 -33.5 53.9 -50.1 -10.0 615 212 C S H 3> S+ 0 0 12 1,-0.3 4,-1.7 2,-0.2 -1,-0.3 0.667 77.5 75.1 -58.0 -17.7 53.7 -51.8 -13.4 616 213 C L H <> S+ 0 0 1 -3,-2.1 4,-1.9 1,-0.2 -1,-0.3 0.925 94.6 51.1 -58.9 -41.4 50.4 -49.9 -14.0 617 214 C D H <> S+ 0 0 0 -3,-1.9 4,-2.3 -4,-0.3 -1,-0.2 0.827 103.5 60.3 -61.1 -33.5 52.7 -46.9 -14.7 618 215 C M H X S+ 0 0 2 -4,-0.7 4,-2.3 2,-0.2 -1,-0.2 0.874 104.6 46.2 -69.0 -37.1 54.7 -48.9 -17.1 619 216 C W H X S+ 0 0 0 -4,-1.7 4,-1.9 -3,-0.2 -1,-0.2 0.951 110.7 54.0 -65.5 -48.3 51.7 -49.6 -19.4 620 217 C S H X S+ 0 0 0 -4,-1.9 4,-1.5 1,-0.2 -2,-0.2 0.879 109.8 49.0 -50.7 -41.7 50.8 -45.9 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107.7 47.6 -38.8 -30.4 634 231 C P S S- 0 0 16 0, 0.0 -1,-0.2 0, 0.0 3,-0.2 0.687 80.4-152.5 -83.3 171.8 46.5 -40.6 -28.4 635 232 C F S S+ 0 0 13 -12,-0.3 2,-0.9 1,-0.2 -2,-0.1 0.995 88.2 41.1 -69.0 -62.3 47.5 -44.1 -29.7 636 233 C F S S- 0 0 6 -37,-0.4 2,-1.1 -4,-0.1 -1,-0.2 -0.752 76.5-172.3 -88.4 102.8 44.6 -46.1 -28.3 637 234 C H + 0 0 86 -2,-0.9 2,-0.2 -3,-0.2 -1,-0.1 -0.599 9.0 172.8-104.2 75.9 41.5 -44.0 -28.9 638 235 C G - 0 0 0 -2,-1.1 6,-0.1 1,-0.1 -39,-0.1 -0.512 32.2-146.0 -79.1 148.0 38.4 -45.5 -27.2 639 236 C H S S- 0 0 125 -2,-0.2 2,-0.2 1,-0.1 -1,-0.1 0.781 86.8 -1.6 -83.0 -28.7 35.1 -43.7 -27.1 640 237 C D S > S- 0 0 57 -42,-0.1 4,-1.4 -3,-0.0 -1,-0.1 -0.808 89.5 -86.4-136.7-171.4 34.4 -45.3 -23.7 641 238 C N H > S+ 0 0 70 -2,-0.2 4,-1.2 2,-0.2 -3,-0.0 0.882 125.8 50.4 -64.8 -39.6 36.2 -47.7 -21.2 642 239 C Y H > S+ 0 0 78 1,-0.2 4,-1.2 2,-0.2 3,-0.4 0.926 112.3 45.1 -63.8 -46.2 34.7 -50.8 -23.0 643 240 C D H > S+ 0 0 20 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.744 102.0 70.8 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27,-0.2 0.084 8.9-105.1 94.3 154.4 45.5 -59.5 -30.2 654 251 C T H > S+ 0 0 5 25,-2.4 4,-2.8 2,-0.1 5,-0.2 0.792 108.4 68.3 -83.5 -28.5 42.7 -61.3 -28.4 655 252 C E H > S+ 0 0 165 24,-0.6 4,-1.7 1,-0.2 -1,-0.1 0.865 102.0 43.8 -60.8 -42.1 44.6 -64.5 -27.7 656 253 C D H > S+ 0 0 80 -4,-0.3 4,-1.3 2,-0.2 -1,-0.2 0.785 113.9 54.1 -71.6 -29.7 47.1 -63.0 -25.2 657 254 C L H X S+ 0 0 0 -4,-0.5 4,-2.2 2,-0.2 5,-0.2 0.924 109.0 44.7 -68.4 -50.1 44.2 -61.2 -23.6 658 255 C Y H X S+ 0 0 75 -4,-2.8 4,-1.7 1,-0.2 -2,-0.2 0.858 112.2 53.8 -65.2 -33.7 42.1 -64.3 -23.0 659 256 C D H X S+ 0 0 101 -4,-1.7 4,-2.4 -5,-0.2 -1,-0.2 0.831 108.0 53.0 -62.6 -36.3 45.2 -66.0 -21.7 660 257 C Y H X S+ 0 0 5 -4,-1.3 4,-1.8 2,-0.2 -2,-0.2 0.937 109.9 43.1 -68.1 -50.4 45.6 -63.0 -19.3 661 258 C I H <>S+ 0 0 14 -4,-2.2 5,-2.1 1,-0.2 4,-0.3 0.814 115.2 52.8 -69.5 -28.0 42.1 -63.2 -17.7 662 259 C D H ><5S+ 0 0 118 -4,-1.7 3,-1.5 -5,-0.2 -2,-0.2 0.964 106.8 51.8 -61.8 -55.1 42.5 -67.0 -17.6 663 260 C K H 3<5S+ 0 0 100 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.862 118.1 35.9 -51.3 -46.0 45.8 -66.8 -15.8 664 261 C Y T 3<5S- 0 0 3 -4,-1.8 -256,-2.9 -5,-0.1 -1,-0.3 0.307 105.5-122.5 -96.3 7.6 44.5 -64.4 -13.1 665 262 C N T < 5 + 0 0 65 -3,-1.5 -259,-0.4 -4,-0.3 2,-0.2 0.861 53.1 166.2 51.3 39.7 41.0 -66.0 -12.9 666 263 C I < - 0 0 18 -5,-2.1 2,-0.6 -6,-0.2 -1,-0.2 -0.569 32.6-134.1 -78.8 146.8 39.5 -62.6 -13.7 667 264 C E - 0 0 176 -2,-0.2 2,-0.1 -60,-0.2 -5,-0.0 -0.943 17.6-139.8-108.6 122.9 35.8 -62.4 -14.7 668 265 C L - 0 0 28 -2,-0.6 -61,-0.1 1,-0.1 -60,-0.0 -0.448 25.3-104.3 -74.0 149.5 35.0 -60.2 -17.7 669 266 C D >> - 0 0 67 1,-0.1 3,-2.1 -2,-0.1 4,-0.5 -0.599 33.7-125.5 -63.9 126.9 32.0 -58.0 -17.8 670 267 C P H >> S+ 0 0 94 0, 0.0 3,-0.7 0, 0.0 4,-0.6 0.728 104.6 76.8 -48.5 -22.0 29.7 -60.0 -20.1 671 268 C R H 3> S+ 0 0 137 1,-0.2 4,-0.9 2,-0.2 3,-0.3 0.785 84.2 60.5 -62.5 -33.9 29.6 -56.8 -22.2 672 269 C F H <> S+ 0 0 3 -3,-2.1 4,-2.4 1,-0.2 5,-0.3 0.853 90.1 69.9 -66.3 -34.3 33.0 -57.4 -23.7 673 270 C N H - 0 0 188 1,-0.1 3,-2.5 -2,-0.1 4,-0.2 -0.667 25.3-127.5 -73.3 126.7 53.0 -56.4 -36.5 684 281 C W G > S+ 0 0 24 -2,-0.4 3,-1.6 1,-0.3 4,-0.2 0.690 101.8 79.7 -48.7 -21.2 54.0 -52.8 -35.4 685 282 C E G > S+ 0 0 139 1,-0.3 3,-1.3 2,-0.2 -1,-0.3 0.692 75.3 75.8 -62.4 -18.7 55.1 -52.2 -39.0 686 283 C R G < S+ 0 0 145 -3,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.742 92.9 51.4 -65.9 -26.4 51.4 -51.6 -39.9 687 284 C F G < S+ 0 0 41 -3,-1.6 2,-0.4 -4,-0.2 -1,-0.3 0.413 84.9 110.1 -94.1 3.2 51.4 -48.2 -38.3 688 285 C V < + 0 0 57 -3,-1.3 2,-0.3 -4,-0.2 -58,-0.1 -0.646 39.4 159.5 -84.7 129.5 54.5 -46.9 -40.1 689 286 C H >> - 0 0 94 -2,-0.4 3,-2.4 -59,-0.1 4,-2.1 -0.918 56.5 -85.2-140.5 172.7 54.1 -44.1 -42.7 690 287 C S T 34 S+ 0 0 110 1,-0.3 4,-0.2 -2,-0.3 -2,-0.0 0.655 125.2 50.7 -50.5 -20.9 56.1 -41.4 -44.6 691 288 C E T 34 S+ 0 0 122 1,-0.1 -1,-0.3 2,-0.1 -3,-0.0 0.515 120.8 27.0-101.9 -11.3 55.5 -39.1 -41.7 692 289 C N T X> S+ 0 0 0 -3,-2.4 3,-2.1 2,-0.0 4,-0.8 0.471 89.7 96.7-126.2 -9.6 56.5 -41.2 -38.7 693 290 C Q T 3< S+ 0 0 116 -4,-2.1 3,-0.2 1,-0.3 -3,-0.1 0.741 76.5 63.9 -55.5 -30.1 59.1 -43.7 -40.1 694 291 C H T 34 S+ 0 0 100 1,-0.2 -1,-0.3 -4,-0.2 -161,-0.2 0.492 106.6 45.5 -76.4 -3.9 62.1 -41.6 -39.0 695 292 C L T <4 S+ 0 0 8 -3,-2.1 2,-0.5 -66,-0.3 -1,-0.2 0.592 96.1 83.0-111.9 -19.6 61.1 -42.2 -35.4 696 293 C V < + 0 0 25 -4,-0.8 -1,-0.0 -3,-0.2 -163,-0.0 -0.785 54.2 158.8 -93.3 121.7 60.4 -45.9 -35.7 697 294 C S > - 0 0 24 -2,-0.5 4,-2.4 1,-0.1 5,-0.3 -0.883 56.2-102.7-133.6 163.1 63.5 -48.2 -35.4 698 295 C P H > S+ 0 0 113 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.878 123.6 52.8 -59.6 -30.8 64.0 -51.9 -34.4 699 296 C E H > S+ 0 0 81 2,-0.2 4,-2.5 1,-0.2 27,-0.3 0.908 109.0 48.7 -66.4 -42.3 65.1 -50.7 -30.9 700 297 C A H > S+ 0 0 0 2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.948 113.5 45.7 -62.6 -49.9 62.0 -48.6 -30.4 701 298 C L H X S+ 0 0 38 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.906 112.9 50.5 -62.7 -42.7 59.6 -51.3 -31.4 702 299 C D H X S+ 0 0 67 -4,-2.2 4,-1.1 -5,-0.3 -1,-0.2 0.936 115.0 42.9 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1,-0.1 5,-0.2 -0.882 56.4 -98.6-138.2 166.7 72.4 63.0 17.4 1032 295 D P H > S+ 0 0 102 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.882 126.1 49.4 -51.2 -39.1 72.8 66.7 16.5 1033 296 D E H > S+ 0 0 75 2,-0.2 4,-2.2 1,-0.2 27,-0.3 0.874 109.7 50.8 -71.9 -38.1 73.8 65.6 12.9 1034 297 D A H > S+ 0 0 0 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.946 112.5 45.3 -61.4 -51.7 70.7 63.2 12.6 1035 298 D L H X S+ 0 0 43 -4,-2.4 4,-2.6 2,-0.2 5,-0.2 0.933 113.1 50.9 -57.9 -46.1 68.3 66.0 13.7 1036 299 D D H X S+ 0 0 74 -4,-2.1 4,-1.5 -5,-0.2 -1,-0.2 0.915 113.5 45.1 -59.3 -44.6 69.9 68.5 11.3 1037 300 D F H X S+ 0 0 0 -4,-2.2 4,-0.5 1,-0.2 -1,-0.2 0.911 113.0 49.9 -64.6 -44.7 69.7 66.0 8.4 1038 301 D L H >X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 3,-1.1 0.885 107.9 53.9 -63.0 -40.4 66.2 65.1 9.2 1039 302 D D H 3< S+ 0 0 36 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.870 104.4 54.8 -64.1 -36.5 65.1 68.7 9.4 1040 303 D K H 3< S+ 0 0 68 -4,-1.5 10,-1.4 -5,-0.2 -1,-0.3 0.612 112.0 44.8 -74.7 -11.5 66.5 69.5 5.9 1041 304 D L H << S+ 0 0 0 -3,-1.1 2,-2.2 -4,-0.5 -2,-0.2 0.873 100.0 66.8 -94.5 -51.5 64.5 66.7 4.4 1042 305 D L < + 0 0 3 -4,-2.5 2,-0.4 -86,-0.1 -1,-0.2 -0.440 68.7 138.3 -77.2 74.4 61.1 67.2 6.0 1043 306 D R - 0 0 89 -2,-2.2 6,-0.1 -3,-0.2 5,-0.1 -0.981 52.0-144.4-118.8 130.0 60.2 70.6 4.4 1044 307 D Y S S+ 0 0 6 -2,-0.4 2,-0.5 -58,-0.1 -106,-0.2 0.972 91.2 76.5 -51.4 -58.9 56.7 71.4 3.1 1045 308 D D S > S- 0 0 34 1,-0.2 3,-1.1 -55,-0.1 4,-0.2 -0.431 72.2-161.5 -54.2 106.7 58.3 73.4 0.2 1046 309 D H G > S+ 0 0 1 -2,-0.5 3,-1.0 1,-0.2 -1,-0.2 0.793 87.8 62.4 -63.7 -29.6 59.5 70.5 -2.1 1047 310 D Q G 3 S+ 0 0 78 1,-0.2 -1,-0.2 -301,-0.1 -2,-0.1 0.690 101.5 51.5 -71.8 -16.6 61.9 72.9 -3.8 1048 311 D S G < S+ 0 0 53 -3,-1.1 -1,-0.2 -5,-0.1 2,-0.2 0.313 83.6 106.9-105.6 5.4 63.8 73.5 -0.5 1049 312 D R S < S- 0 0 2 -3,-1.0 2,-0.3 -4,-0.2 -8,-0.2 -0.556 82.5 -95.1 -78.8 152.7 64.5 69.8 0.4 1050 313 D L - 0 0 32 -10,-1.4 -1,-0.1 -2,-0.2 -2,-0.1 -0.497 38.8-125.7 -70.2 128.0 68.0 68.4 0.0 1051 314 D T > - 0 0 17 -2,-0.3 4,-2.9 1,-0.1 5,-0.2 -0.235 29.7-103.1 -64.7 161.4 68.6 66.6 -3.3 1052 315 D A H > S+ 0 0 3 1,-0.2 4,-1.9 2,-0.2 -170,-0.1 0.912 122.9 49.5 -53.6 -45.1 69.9 63.1 -3.1 1053 316 D R H 4 S+ 0 0 130 1,-0.2 4,-0.3 2,-0.2 -1,-0.2 0.901 113.0 45.8 -62.5 -43.3 73.4 64.3 -4.1 1054 317 D E H >> S+ 0 0 77 1,-0.2 3,-1.9 2,-0.2 4,-0.5 0.905 107.6 58.1 -63.1 -45.0 73.4 67.1 -1.5 1055 318 D A H >< S+ 0 0 0 -4,-2.9 3,-1.8 1,-0.3 6,-0.2 0.897 99.3 59.1 -53.7 -44.1 72.1 64.7 1.2 1056 319 D M T 3< S+ 0 0 11 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.676 102.4 55.0 -60.4 -16.6 75.1 62.5 0.6 1057 320 D E T <4 S+ 0 0 143 -3,-1.9 -1,-0.3 -4,-0.3 -2,-0.2 0.591 82.2 117.0 -94.6 -10.8 77.3 65.4 1.6 1058 321 D H S X< S- 0 0 14 -3,-1.8 3,-2.2 -4,-0.5 4,-0.5 -0.233 76.8-117.1 -62.0 143.6 75.7 66.1 5.0 1059 322 D P T 3 S+ 0 0 55 0, 0.0 4,-0.4 0, 0.0 3,-0.3 0.638 107.6 76.4 -52.1 -21.1 77.7 65.7 8.2 1060 323 D Y T 3 S+ 0 0 0 -27,-0.3 3,-0.2 1,-0.2 -26,-0.1 0.776 101.1 41.4 -63.1 -25.5 75.4 62.9 9.3 1061 324 D F S X> S+ 0 0 0 -3,-2.2 3,-3.1 -6,-0.2 4,-1.4 0.627 83.1 102.4 -95.6 -13.9 77.2 60.6 6.8 1062 325 D Y H 3> S+ 0 0 138 -4,-0.5 4,-0.8 -3,-0.3 -1,-0.1 0.745 81.2 52.7 -43.5 -42.2 80.8 61.8 7.4 1063 326 D T H 34 S+ 0 0 59 -4,-0.4 -1,-0.3 -3,-0.2 4,-0.1 0.755 115.6 42.7 -65.1 -26.4 81.7 58.7 9.5 1064 327 D V H X4 S+ 0 0 8 -3,-3.1 3,-2.0 2,-0.1 -2,-0.2 0.881 99.1 66.2 -84.7 -47.5 80.4 56.4 6.7 1065 328 D V H 3< S+ 0 0 66 -4,-1.4 -2,-0.1 1,-0.3 -3,-0.1 0.755 89.0 66.8 -58.5 -34.9 81.7 58.0 3.5 1066 329 D K T 3< 0 0 161 -4,-0.8 -1,-0.3 0, 0.0 -2,-0.1 0.740 360.0 360.0 -56.7 -27.2 85.4 57.3 4.3 1067 330 D D < 0 0 143 -3,-2.0 -3,-0.0 -4,-0.1 0, 0.0 -0.102 360.0 360.0 -86.3 360.0 84.8 53.5 4.0