==== 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 HYDROLASE 04-JUN-12 4AWK . COMPND 2 MOLECULE: POLYMERASE PA; . SOURCE 2 ORGANISM_SCIENTIFIC: INFLUENZA A VIRUS; . AUTHOR E.KOWALINSKI,C.ZUBIETA,A.WOLKERSTORFER,O.H.SZOLAR,R.W.RUIGRO . 174 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9510.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 123 70.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 4.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 6.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 7 4.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 81 46.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 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 0 0 1 0 1 0 0 0 1 1 0 1 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 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 PARALLEL BRIDGES PER LADDER . 0 0 3 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 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 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 0 A A > 0 0 92 0, 0.0 4,-2.5 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 119.1 34.1 10.0 21.7 2 1 A M H > + 0 0 11 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.867 360.0 58.2 -59.4 -39.3 37.2 11.1 19.8 3 2 A E H > S+ 0 0 40 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.930 109.7 44.1 -57.5 -45.5 39.4 8.6 21.5 4 3 A D H > S+ 0 0 100 -3,-0.3 4,-1.3 2,-0.2 -2,-0.2 0.891 110.4 55.7 -68.0 -40.0 37.2 5.7 20.3 5 4 A F H >X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 3,-0.9 0.958 106.4 50.4 -50.3 -53.7 37.0 7.3 16.8 6 5 A V H 3X S+ 0 0 0 -4,-2.8 4,-1.8 1,-0.3 -2,-0.2 0.900 108.3 52.9 -54.7 -42.3 40.9 7.3 16.6 7 6 A R H 3< S+ 0 0 87 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.762 116.6 38.4 -68.7 -22.5 41.0 3.7 17.6 8 7 A Q H << S+ 0 0 100 -4,-1.3 -2,-0.2 -3,-0.9 -1,-0.2 0.702 115.9 50.8 -96.5 -22.3 38.5 2.7 14.8 9 8 A C H < S+ 0 0 14 -4,-2.3 2,-0.3 -5,-0.2 -2,-0.2 0.838 106.1 53.6 -86.5 -36.1 39.8 5.1 12.0 10 9 A F S < S- 0 0 7 -4,-1.8 31,-0.0 -5,-0.3 5,-0.0 -0.745 89.6-103.0-107.8 149.6 43.5 4.3 12.1 11 10 A N > - 0 0 71 -2,-0.3 4,-2.2 1,-0.1 3,-0.2 -0.183 37.6-107.7 -66.2 159.5 45.3 1.0 11.7 12 11 A P H > S+ 0 0 105 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.873 117.2 55.8 -59.0 -41.4 46.7 -0.5 14.9 13 12 A M H > S+ 0 0 99 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.905 110.0 46.8 -54.5 -46.0 50.3 0.2 14.1 14 13 A I H > S+ 0 0 2 -3,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.927 111.7 49.4 -64.9 -48.0 49.5 3.9 13.7 15 14 A V H X S+ 0 0 11 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.923 111.4 50.4 -58.9 -44.3 47.5 4.1 16.9 16 15 A E H X S+ 0 0 116 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.944 111.6 46.9 -56.9 -52.8 50.4 2.4 18.8 17 16 A L H X S+ 0 0 39 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.880 112.0 51.4 -59.8 -39.5 53.0 4.7 17.4 18 17 A A H X S+ 0 0 0 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.905 109.9 48.5 -63.5 -43.7 50.8 7.8 18.2 19 18 A E H X S+ 0 0 48 -4,-2.5 4,-2.0 -5,-0.2 -2,-0.2 0.938 113.4 47.8 -62.0 -45.1 50.3 6.6 21.8 20 19 A K H X S+ 0 0 136 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.884 111.1 50.5 -60.7 -44.1 54.1 6.0 22.2 21 20 A A H X S+ 0 0 34 -4,-2.5 4,-1.2 2,-0.2 -1,-0.2 0.902 109.2 52.3 -61.7 -41.0 54.9 9.5 20.7 22 21 A M H <>S+ 0 0 2 -4,-2.2 5,-2.6 2,-0.2 3,-0.3 0.931 112.4 43.0 -64.8 -45.0 52.5 11.1 23.1 23 22 A K H ><5S+ 0 0 146 -4,-2.0 3,-2.4 3,-0.2 -2,-0.2 0.939 110.1 55.7 -67.8 -45.8 54.0 9.6 26.2 24 23 A E H 3<5S+ 0 0 92 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.771 115.4 41.5 -51.3 -29.0 57.6 10.2 25.0 25 24 A Y T 3<5S- 0 0 156 -4,-1.2 -1,-0.3 -3,-0.3 -2,-0.2 0.084 124.8-103.3-111.6 18.0 56.5 13.9 24.7 26 25 A G T < 5S+ 0 0 65 -3,-2.4 -3,-0.2 1,-0.2 2,-0.1 0.181 74.7 128.4 93.5 -13.3 54.5 13.9 28.0 27 26 A E < - 0 0 63 -5,-2.6 -1,-0.2 -6,-0.2 -2,-0.1 -0.408 51.2-135.7 -96.1 155.3 50.8 13.7 26.8 28 27 A D >> - 0 0 68 -2,-0.1 4,-2.6 1,-0.1 3,-1.3 -0.909 4.4-157.4-107.2 116.4 47.8 11.6 27.5 29 28 A P T 34 S+ 0 0 4 0, 0.0 7,-0.2 0, 0.0 -1,-0.1 0.712 93.6 62.4 -63.5 -21.8 45.7 10.3 24.5 30 29 A K T 34 S+ 0 0 143 1,-0.1 3,-0.2 6,-0.0 -27,-0.1 0.754 117.1 27.2 -73.4 -25.1 42.7 9.9 26.8 31 30 A I T <4 S+ 0 0 116 -3,-1.3 2,-1.8 1,-0.2 3,-0.3 0.857 121.1 49.4-100.4 -55.1 42.6 13.7 27.6 32 31 A E X + 0 0 81 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 -0.597 68.9 154.6 -87.2 74.7 44.2 15.3 24.5 33 32 A T H > + 0 0 35 -2,-1.8 4,-2.1 -3,-0.2 -1,-0.2 0.839 68.3 51.7 -78.8 -31.8 42.0 13.4 22.1 34 33 A N H > S+ 0 0 13 -3,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.931 111.3 48.2 -69.3 -43.4 42.1 15.9 19.3 35 34 A K H > S+ 0 0 84 2,-0.2 4,-2.8 1,-0.2 -2,-0.2 0.927 109.6 53.6 -56.6 -47.8 45.9 15.9 19.5 36 35 A F H X S+ 0 0 0 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.891 110.9 46.7 -52.4 -45.8 45.8 12.1 19.5 37 36 A A H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.903 112.2 50.0 -65.0 -41.7 43.8 12.2 16.3 38 37 A A H X S+ 0 0 21 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.889 109.5 50.9 -64.7 -41.1 46.1 14.8 14.7 39 38 A I H X S+ 0 0 40 -4,-2.8 4,-2.8 2,-0.2 -1,-0.2 0.919 111.5 47.8 -64.9 -43.5 49.2 12.7 15.5 40 39 A C H X S+ 0 0 0 -4,-2.0 4,-2.6 -5,-0.2 -2,-0.2 0.926 112.6 48.9 -60.3 -47.3 47.7 9.6 13.9 41 40 A T H X S+ 0 0 1 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.932 113.2 46.5 -58.6 -49.3 46.6 11.6 10.8 42 41 A H H X S+ 0 0 31 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.925 111.8 51.3 -63.3 -44.3 50.1 13.1 10.5 43 42 A L H X S+ 0 0 4 -4,-2.8 4,-2.4 -5,-0.2 -1,-0.2 0.937 110.0 49.8 -54.5 -46.5 51.8 9.7 11.0 44 43 A E H X S+ 0 0 34 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.898 109.6 50.4 -65.5 -37.8 49.5 8.2 8.3 45 44 A V H X S+ 0 0 1 -4,-2.3 4,-2.9 2,-0.2 5,-0.2 0.941 109.9 51.0 -64.5 -44.3 50.3 10.9 5.8 46 45 A C H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.912 112.4 46.1 -57.0 -46.1 54.0 10.5 6.4 47 46 A F H X S+ 0 0 27 -4,-2.4 4,-2.8 2,-0.2 -2,-0.2 0.923 114.6 47.2 -65.5 -42.3 53.8 6.7 5.8 48 47 A M H X S+ 0 0 34 -4,-2.8 4,-1.7 2,-0.2 -2,-0.2 0.890 111.1 51.8 -63.6 -39.9 51.6 7.2 2.7 49 48 A Y H < S+ 0 0 0 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.913 114.6 43.2 -61.0 -45.9 54.1 9.8 1.4 50 49 A S H < S+ 0 0 9 -4,-2.2 7,-0.4 -5,-0.2 -2,-0.2 0.880 108.7 56.2 -70.0 -40.0 56.9 7.4 1.9 51 50 A D H < S+ 0 0 121 -4,-2.8 2,-1.9 1,-0.3 -1,-0.2 0.819 91.9 74.7 -66.5 -27.0 55.1 4.4 0.5 52 51 A F < 0 0 46 -4,-1.7 -1,-0.3 -5,-0.2 93,-0.2 -0.259 360.0 360.0 -75.5 52.0 54.6 6.3 -2.7 53 52 A G 0 0 57 -2,-1.9 -3,-0.0 -3,-0.2 91,-0.0 -0.978 360.0 360.0-174.5 360.0 58.3 5.8 -3.6 54 ! 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 55 74 A H 0 0 159 0, 0.0 38,-0.1 0, 0.0 -4,-0.1 0.000 360.0 360.0 360.0 76.8 62.9 3.3 -1.9 56 75 A R + 0 0 49 -6,-0.2 37,-3.1 37,-0.1 38,-0.5 0.792 360.0 52.5 -71.9 -32.4 62.9 7.0 -2.6 57 76 A F E -A 92 0A 1 -7,-0.4 2,-0.5 35,-0.2 35,-0.2 -0.845 60.3-152.2-116.9 145.8 62.1 8.0 1.0 58 77 A E E -A 91 0A 35 33,-2.3 33,-2.1 -2,-0.4 2,-0.5 -0.968 26.6-136.2-104.4 129.2 63.5 7.4 4.5 59 78 A I E +A 90 0A 36 -2,-0.5 31,-0.2 31,-0.2 30,-0.1 -0.770 32.7 165.3 -88.8 125.8 60.7 7.7 7.1 60 79 A I > + 0 0 2 29,-2.8 3,-1.5 -2,-0.5 30,-0.2 0.759 54.3 82.6-105.4 -43.0 61.9 9.6 10.1 61 80 A E T 3 S+ 0 0 62 28,-2.3 3,-0.1 1,-0.2 28,-0.1 -0.266 88.1 37.1 -55.7 144.1 58.6 10.3 11.7 62 81 A G T 3 S+ 0 0 20 1,-0.4 2,-0.3 -45,-0.1 -1,-0.2 0.244 91.1 109.2 92.3 -15.4 57.3 7.4 13.8 63 82 A R S < S- 0 0 90 -3,-1.5 -1,-0.4 1,-0.1 -3,-0.0 -0.648 80.0-100.4 -86.5 150.9 60.7 6.4 15.2 64 83 A D > - 0 0 84 -2,-0.3 4,-2.5 -3,-0.1 3,-0.2 -0.330 45.2 -98.1 -63.3 158.9 61.6 7.0 18.8 65 84 A R H > S+ 0 0 118 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.828 120.8 48.4 -52.2 -45.6 63.7 10.1 19.3 66 85 A I H > S+ 0 0 129 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.916 114.2 45.4 -65.1 -45.7 67.1 8.4 19.4 67 86 A M H > S+ 0 0 81 -3,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.866 110.4 55.2 -64.8 -37.3 66.5 6.3 16.4 68 87 A A H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.943 112.5 41.8 -61.2 -49.2 65.2 9.3 14.5 69 88 A W H X S+ 0 0 75 -4,-2.3 4,-2.9 2,-0.2 -1,-0.2 0.816 110.8 56.9 -69.1 -31.9 68.4 11.2 15.2 70 89 A T H X S+ 0 0 70 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.931 110.9 44.2 -61.6 -46.1 70.5 8.2 14.5 71 90 A V H X S+ 0 0 20 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.910 114.1 48.8 -63.1 -45.3 68.9 8.0 11.0 72 91 A V H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.941 113.0 48.6 -61.9 -46.5 69.2 11.7 10.4 73 92 A N H X S+ 0 0 51 -4,-2.9 4,-2.6 1,-0.2 -2,-0.2 0.898 110.2 51.2 -57.6 -45.0 72.8 11.6 11.5 74 93 A S H X S+ 0 0 65 -4,-2.4 4,-1.2 2,-0.2 -1,-0.2 0.909 111.6 47.2 -59.9 -44.3 73.5 8.6 9.2 75 94 A I H >X S+ 0 0 4 -4,-2.5 4,-1.0 2,-0.2 3,-0.6 0.936 112.5 48.7 -65.3 -45.2 72.0 10.4 6.3 76 95 A C H >X S+ 0 0 11 -4,-2.7 4,-2.3 1,-0.2 3,-0.5 0.904 110.5 52.5 -63.0 -37.6 73.9 13.6 7.0 77 96 A N H 3< S+ 0 0 133 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.708 115.1 40.3 -69.0 -23.1 77.2 11.6 7.3 78 97 A T H << S+ 0 0 110 -4,-1.2 -1,-0.2 -3,-0.6 -2,-0.2 0.414 128.5 28.2-107.4 -1.6 76.7 9.9 4.0 79 98 A T H << S- 0 0 53 -4,-1.0 -2,-0.2 -3,-0.5 -3,-0.2 0.514 89.2-130.4-127.4 -18.6 75.4 12.9 2.0 80 99 A G < + 0 0 66 -4,-2.3 -4,-0.1 -5,-0.3 -3,-0.1 0.442 53.1 153.0 70.0 -1.3 76.8 16.0 3.6 81 100 A V - 0 0 32 -6,-0.4 -1,-0.3 1,-0.1 -2,-0.2 -0.385 57.9 -94.9 -54.8 138.0 73.3 17.5 3.6 82 101 A E - 0 0 135 1,-0.1 -1,-0.1 -3,-0.1 -6,-0.0 -0.291 39.2-108.6 -60.2 139.2 73.3 19.9 6.5 83 102 A K - 0 0 107 -3,-0.1 -1,-0.1 1,-0.1 -10,-0.1 -0.543 37.5-123.2 -73.0 126.7 71.9 18.5 9.8 84 103 A P - 0 0 18 0, 0.0 -1,-0.1 0, 0.0 36,-0.1 -0.384 3.4-133.7 -73.1 152.8 68.5 20.1 10.6 85 104 A K S S+ 0 0 156 34,-0.3 2,-0.3 35,-0.1 35,-0.1 0.810 93.7 35.1 -68.0 -35.1 67.9 21.9 13.8 86 105 A F S S- 0 0 90 33,-0.2 -1,-0.1 0, 0.0 33,-0.0 -0.902 100.2 -93.5-121.9 149.6 64.6 20.1 14.3 87 106 A L - 0 0 58 -2,-0.3 2,-0.1 1,-0.0 -2,-0.1 -0.414 44.0-153.4 -58.7 127.3 63.7 16.5 13.4 88 107 A P - 0 0 4 0, 0.0 12,-0.2 0, 0.0 3,-0.1 -0.345 16.9-120.8 -90.6-172.3 62.1 16.3 10.0 89 108 A D S S+ 0 0 4 10,-2.3 -29,-2.8 1,-0.3 -28,-2.3 0.790 80.6 2.4-100.2 -36.5 59.6 13.7 8.8 90 109 A L E -AB 59 99A 0 9,-1.7 9,-2.9 -31,-0.2 2,-0.4 -0.946 55.9-134.0-143.1 162.3 61.2 12.2 5.8 91 110 A Y E -AB 58 98A 0 -33,-2.1 -33,-2.3 -2,-0.3 2,-0.8 -0.996 18.0-145.2-119.3 134.3 64.4 12.2 3.7 92 111 A D E >> -AB 57 97A 0 5,-3.1 5,-1.3 -2,-0.4 4,-1.2 -0.883 10.7-170.7 -98.1 108.1 64.1 12.3 -0.1 93 112 A Y T 45S+ 0 0 79 -37,-3.1 -1,-0.1 -2,-0.8 -36,-0.1 0.670 85.2 54.2 -72.5 -20.0 67.0 10.2 -1.6 94 113 A K T 45S+ 0 0 152 -38,-0.5 -1,-0.2 1,-0.1 -37,-0.1 0.956 122.2 25.3 -79.0 -52.7 66.1 11.4 -5.1 95 114 A E T 45S- 0 0 90 2,-0.2 -2,-0.2 48,-0.0 -1,-0.1 0.558 102.7-131.8 -83.3 -8.5 66.3 15.2 -4.3 96 115 A N T <5 + 0 0 77 -4,-1.2 2,-0.3 1,-0.2 -3,-0.2 0.951 64.2 116.2 50.1 58.2 68.6 14.7 -1.4 97 116 A R E < -B 92 0A 35 -5,-1.3 -5,-3.1 -16,-0.1 -1,-0.2 -0.993 66.1-114.0-147.7 150.1 66.7 16.8 1.0 98 117 A F E -B 91 0A 3 -2,-0.3 27,-2.7 -7,-0.2 2,-0.4 -0.525 32.0-144.4 -76.4 152.1 64.8 16.4 4.3 99 118 A I E -Bc 90 125A 0 -9,-2.9 -10,-2.3 25,-0.2 -9,-1.7 -0.984 8.9-156.0-124.3 134.3 61.1 17.0 4.2 100 119 A E E - 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0 0 50 -3,-2.5 -1,-0.2 1,-0.1 -3,-0.1 -0.901 29.7-174.3-101.0 103.6 57.7 21.7 -5.7 142 161 A Y - 0 0 70 -2,-0.8 2,-3.4 1,-0.2 -1,-0.1 0.363 17.2-153.2 -86.2 4.5 55.2 19.0 -4.6 143 162 A T + 0 0 17 -6,-0.0 -1,-0.2 -51,-0.0 2,-0.1 -0.206 66.1 71.9 65.3 -61.0 57.8 16.2 -4.8 144 163 A L S S- 0 0 11 -2,-3.4 -2,-0.1 1,-0.1 -91,-0.1 -0.383 89.8 -99.5 -84.0 163.6 55.3 13.4 -5.5 145 164 A D > - 0 0 98 -93,-0.2 4,-1.9 -2,-0.1 3,-0.3 -0.255 42.4 -98.0 -73.2 170.3 53.3 12.7 -8.7 146 165 A E H > S+ 0 0 131 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.875 120.6 53.7 -61.6 -41.7 49.7 13.8 -8.9 147 166 A E H > S+ 0 0 116 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.852 107.5 50.3 -64.3 -36.2 48.2 10.4 -8.0 148 167 A S H > S+ 0 0 11 -3,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.927 113.7 44.6 -69.6 -42.2 50.2 10.1 -4.8 149 168 A R H X S+ 0 0 18 -4,-1.9 4,-2.9 1,-0.2 -2,-0.2 0.897 110.9 55.1 -68.9 -39.9 49.2 13.5 -3.7 150 169 A A H X S+ 0 0 45 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.881 107.1 50.3 -57.4 -42.0 45.5 12.7 -4.7 151 170 A R H X S+ 0 0 137 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.882 112.1 47.2 -66.3 -39.2 45.5 9.6 -2.5 152 171 A I H X S+ 0 0 0 -4,-1.7 4,-2.5 2,-0.2 5,-0.2 0.948 112.8 49.1 -64.1 -46.9 46.9 11.5 0.5 153 172 A K H X S+ 0 0 44 -4,-2.9 4,-2.5 1,-0.2 -2,-0.2 0.890 111.1 50.9 -59.5 -40.6 44.3 14.3 -0.1 154 173 A T H X S+ 0 0 89 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.918 109.9 48.6 -65.5 -43.3 41.5 11.7 -0.4 155 174 A R H X S+ 0 0 48 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.916 112.2 48.3 -63.8 -45.8 42.5 10.0 2.9 156 175 A L H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.944 113.4 47.5 -58.3 -48.3 42.7 13.3 4.8 157 176 A F H X S+ 0 0 88 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.863 110.8 52.7 -63.3 -35.8 39.3 14.3 3.4 158 177 A T H X S+ 0 0 50 -4,-2.4 4,-2.6 2,-0.2 5,-0.2 0.930 107.6 50.5 -65.9 -44.9 37.9 10.9 4.3 159 178 A I H X S+ 0 0 1 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.937 110.5 51.1 -54.9 -48.8 39.1 11.3 7.9 160 179 A R H X S+ 0 0 65 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.919 112.1 45.6 -54.5 -48.6 37.5 14.7 8.1 161 180 A Q H X S+ 0 0 73 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.830 109.8 53.6 -69.5 -33.3 34.2 13.3 6.8 162 181 A E H X S+ 0 0 66 -4,-2.6 4,-1.0 2,-0.2 -1,-0.2 0.891 112.3 46.1 -67.6 -37.0 34.3 10.3 9.2 163 182 A M H ><>S+ 0 0 0 -4,-2.5 5,-2.9 -5,-0.2 6,-0.6 0.912 111.1 51.7 -65.7 -42.6 34.8 12.8 12.0 164 183 A A H ><5S+ 0 0 42 -4,-2.6 3,-1.4 1,-0.2 -2,-0.2 0.862 103.2 59.9 -62.9 -34.2 31.9 14.9 10.6 165 184 A S H 3<5S+ 0 0 99 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.855 112.0 38.8 -57.7 -38.3 29.8 11.7 10.6 166 185 A R T <<5S- 0 0 124 -4,-1.0 -1,-0.3 -3,-0.5 -2,-0.2 0.177 115.6-113.0 -99.7 15.4 30.3 11.5 14.3 167 186 A S T < 5S+ 0 0 111 -3,-1.4 -3,-0.2 1,-0.1 4,-0.2 0.807 88.5 113.9 54.4 35.3 30.0 15.2 15.0 168 187 A L >< + 0 0 26 -5,-2.9 4,-2.1 -8,-0.1 -4,-0.2 0.489 50.1 81.8-106.7 -9.8 33.7 15.3 16.0 169 188 A W H > S+ 0 0 38 -6,-0.6 4,-3.4 2,-0.2 5,-0.2 0.912 85.7 53.8 -65.7 -48.2 35.0 17.5 13.1 170 189 A D H > S+ 0 0 85 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.918 112.3 45.1 -57.4 -44.7 34.1 20.9 14.5 171 190 A S H > S+ 0 0 64 -4,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.962 114.7 48.2 -58.6 -54.3 36.0 20.2 17.8 172 191 A F H < S+ 0 0 0 -4,-2.1 3,-0.5 1,-0.2 4,-0.2 0.910 110.7 51.9 -55.3 -47.2 39.0 18.8 16.0 173 192 A R H >< S+ 0 0 93 -4,-3.4 3,-0.8 1,-0.2 -1,-0.2 0.873 111.3 45.7 -58.0 -42.4 39.1 21.7 13.6 174 193 A Q H 3< S+ 0 0 129 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.702 97.6 76.2 -78.9 -15.2 39.0 24.3 16.3 175 194 A S T 3< 0 0 70 -4,-1.5 -1,-0.2 -3,-0.5 -2,-0.2 0.479 360.0 360.0 -72.1 -6.1 41.7 22.5 18.4 176 195 A E < 0 0 64 -3,-0.8 -72,-0.0 -4,-0.2 -3,-0.0 -0.727 360.0 360.0 -88.8 360.0 44.7 23.5 16.2