==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-MAY-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 20-NOV-06 2NYF . COMPND 2 MOLECULE: NOSTOC PUNCTIFORME PHENYLALANINE AMMONIA LYASE; . SOURCE 2 ORGANISM_SCIENTIFIC: NOSTOC PUNCTIFORME; . AUTHOR G.V.LOUIE,M.C.MOFFITT,M.E.BOWMAN,J.PENCE,J.P.NOEL,B.S.MOORE . 511 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21188.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 384 75.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 1.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 17 3.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 22 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 63 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 252 49.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 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 4 0 1 1 0 1 0 1 0 2 3 1 0 1 0 0 1 0 0 1 0 0 0 0 0 1 2 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 0 1 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 3 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 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 24 A S 0 0 161 0, 0.0 23,-0.6 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 69.9 4.2 45.2 44.9 2 25 A I E -a 24 0A 91 21,-0.1 2,-0.5 24,-0.0 23,-0.2 -0.995 360.0-135.0-135.6 134.1 4.9 49.0 45.4 3 26 A V E -a 25 0A 12 21,-2.9 23,-2.3 -2,-0.4 2,-0.5 -0.767 17.4-160.3 -91.9 125.1 6.0 50.8 48.5 4 27 A T E -a 26 0A 21 -2,-0.5 4,-0.5 21,-0.2 3,-0.3 -0.908 6.6-151.4-108.3 121.4 4.2 54.0 49.4 5 28 A V E +a 27 0A 0 21,-1.0 23,-2.6 -2,-0.5 4,-0.1 -0.602 69.5 30.4 -90.8 148.3 5.9 56.5 51.7 6 29 A G S S+ 0 0 18 2,-0.4 -1,-0.2 -2,-0.2 3,-0.1 -0.059 102.0 70.0 102.6 -35.4 4.0 58.9 53.9 7 30 A D S S+ 0 0 104 -3,-0.3 2,-0.3 1,-0.2 -2,-0.1 0.952 104.1 21.2 -83.1 -56.6 0.8 57.1 54.8 8 31 A R S S- 0 0 111 -4,-0.5 -2,-0.4 1,-0.0 -1,-0.2 -0.811 92.2 -93.0-113.5 156.2 1.9 54.2 57.0 9 32 A N - 0 0 99 -2,-0.3 280,-0.1 1,-0.1 2,-0.1 -0.452 47.0-113.0 -66.7 133.9 5.0 53.9 59.2 10 33 A L - 0 0 1 -2,-0.2 2,-0.3 278,-0.1 -1,-0.1 -0.363 28.5-150.9 -68.2 146.7 7.8 52.1 57.3 11 34 A T >> - 0 0 48 1,-0.1 4,-1.7 -2,-0.1 3,-0.5 -0.754 28.8-107.4-113.7 161.6 8.9 48.7 58.6 12 35 A I H 3> S+ 0 0 5 -2,-0.3 4,-2.1 1,-0.2 3,-0.2 0.932 120.2 55.4 -53.4 -47.2 12.3 47.1 58.3 13 36 A D H 3> S+ 0 0 73 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.828 105.0 53.7 -57.1 -33.5 11.1 44.7 55.7 14 37 A E H <> S+ 0 0 15 -3,-0.5 4,-1.8 1,-0.2 -1,-0.2 0.927 108.8 47.3 -66.2 -46.9 9.9 47.6 53.6 15 38 A V H X S+ 0 0 0 -4,-1.7 4,-2.0 1,-0.2 5,-0.2 0.838 110.4 53.8 -63.7 -36.6 13.3 49.3 53.6 16 39 A V H X>S+ 0 0 0 -4,-2.1 4,-4.2 2,-0.2 5,-0.8 0.960 107.1 48.8 -64.7 -53.3 15.1 46.1 52.7 17 40 A N H X5S+ 0 0 60 -4,-1.9 6,-1.5 1,-0.2 4,-1.2 0.919 115.6 44.5 -52.1 -49.6 13.0 45.3 49.6 18 41 A V H <5S+ 0 0 0 -4,-1.8 4,-0.3 4,-0.2 -1,-0.2 0.849 122.6 37.6 -64.0 -37.8 13.5 48.9 48.3 19 42 A A H <5S+ 0 0 6 -4,-2.0 -2,-0.2 -5,-0.2 -3,-0.2 0.917 132.1 23.6 -82.2 -47.1 17.2 48.9 49.1 20 43 A R H <5S+ 0 0 75 -4,-4.2 -3,-0.2 -5,-0.2 -2,-0.2 0.878 130.3 37.6 -87.0 -44.4 18.1 45.3 48.3 21 44 A H S < - 0 0 48 1,-0.2 4,-2.3 2,-0.1 5,-0.3 -0.234 45.3-149.9 -50.1 114.5 -3.0 62.1 50.6 31 54 A A H > S+ 0 0 68 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.882 94.8 60.8 -56.5 -41.9 -3.9 65.9 50.5 32 55 A D H > S+ 0 0 96 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.943 110.3 41.1 -50.0 -52.9 -3.6 66.1 54.3 33 56 A V H >> S+ 0 0 27 2,-0.2 4,-1.9 1,-0.2 3,-0.9 0.971 114.8 48.1 -61.7 -58.7 0.1 65.0 54.0 34 57 A I H 3X S+ 0 0 65 -4,-2.3 4,-2.1 1,-0.3 -1,-0.2 0.848 111.0 54.2 -52.9 -35.4 1.1 67.1 51.0 35 58 A R H 3X S+ 0 0 154 -4,-2.9 4,-2.4 -5,-0.3 -1,-0.3 0.844 105.4 53.0 -67.9 -33.8 -0.6 70.1 52.6 36 59 A G H X S+ 0 0 22 -4,-1.0 3,-0.7 -3,-0.2 4,-0.6 0.940 115.3 49.9 -69.3 -48.4 9.9 79.4 56.2 45 68 A N H >X S+ 0 0 51 -4,-2.9 3,-1.8 1,-0.3 4,-1.2 0.929 109.6 51.2 -54.8 -49.1 9.1 81.5 53.2 46 69 A N H 3X S+ 0 0 76 -4,-4.2 4,-1.8 1,-0.3 -1,-0.3 0.742 101.8 63.3 -61.5 -23.8 6.9 83.8 55.3 47 70 A A H - 0 0 49 1,-0.1 4,-4.0 120,-0.0 3,-0.3 -0.800 360.0-116.1-104.5 145.0 18.4 87.5 53.2 55 94 A R H > S+ 0 0 112 -2,-0.3 4,-0.6 1,-0.3 5,-0.1 0.852 118.9 44.7 -44.6 -44.8 16.8 84.9 50.8 56 95 A E H > S+ 0 0 164 2,-0.2 4,-1.3 1,-0.2 -1,-0.3 0.873 116.9 43.2 -70.0 -40.3 20.0 85.1 48.7 57 96 A Q H > S+ 0 0 114 -3,-0.3 4,-2.1 1,-0.2 -2,-0.2 0.901 113.5 52.3 -71.9 -42.8 22.4 84.9 51.6 58 97 A A H X S+ 0 0 9 -4,-4.0 4,-0.8 1,-0.2 -1,-0.2 0.598 111.4 47.5 -69.5 -12.9 20.3 82.2 53.3 59 98 A A H X S+ 0 0 9 -4,-0.6 4,-1.4 -5,-0.3 -1,-0.2 0.727 109.1 52.1 -96.5 -29.2 20.4 80.1 50.1 60 99 A E H X S+ 0 0 141 -4,-1.3 4,-2.9 2,-0.2 5,-0.3 0.882 107.8 54.5 -71.0 -38.0 24.1 80.5 49.6 61 100 A L H X S+ 0 0 116 -4,-2.1 4,-1.3 1,-0.2 -1,-0.2 0.950 107.1 49.3 -58.4 -50.9 24.5 79.4 53.2 62 101 A Q H X S+ 0 0 21 -4,-0.8 4,-0.8 1,-0.2 -1,-0.2 0.830 115.7 44.8 -58.5 -33.6 22.6 76.2 52.5 63 102 A T H X S+ 0 0 19 -4,-1.4 4,-0.9 109,-0.2 3,-0.2 0.838 109.0 52.0 -81.1 -36.8 24.7 75.6 49.4 64 103 A N H X S+ 0 0 98 -4,-2.9 4,-1.6 1,-0.2 5,-0.2 0.685 100.0 69.4 -71.9 -17.6 28.1 76.3 50.9 65 104 A L H X S+ 0 0 29 -4,-1.3 4,-1.3 -5,-0.3 -1,-0.2 0.942 95.6 50.9 -63.4 -48.4 27.1 73.8 53.6 66 105 A I H < S+ 0 0 0 -4,-0.8 -1,-0.2 -3,-0.2 -2,-0.2 0.858 108.3 56.7 -57.6 -35.9 27.3 71.0 51.1 67 106 A W H >< S+ 0 0 107 -4,-0.9 3,-1.0 1,-0.2 -1,-0.2 0.887 107.1 40.0 -67.0 -48.1 30.8 72.2 50.1 68 107 A F H 3< S+ 0 0 126 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.715 111.9 61.2 -77.2 -17.0 32.7 72.1 53.4 69 108 A L T 3< S+ 0 0 13 -4,-1.3 2,-1.7 -5,-0.2 -1,-0.2 0.438 75.0 97.7 -84.1 -2.5 31.0 68.9 54.3 70 109 A K < + 0 0 60 -3,-1.0 -1,-0.2 1,-0.2 -3,-0.1 -0.435 49.1 109.6 -87.2 64.2 32.5 67.1 51.3 71 110 A S + 0 0 79 -2,-1.7 -1,-0.2 53,-0.1 60,-0.1 -0.125 37.8 147.3-128.9 35.4 35.3 65.5 53.4 72 111 A G - 0 0 13 59,-0.2 2,-0.3 -3,-0.1 52,-0.2 -0.353 22.8-174.1 -72.2 153.7 34.3 61.8 53.5 73 112 A A E +B 123 0B 49 50,-1.5 50,-2.3 2,-0.1 49,-0.3 -0.915 33.6 37.3-144.1 169.0 37.0 59.2 53.6 74 113 A G E S- 0 0 35 -2,-0.3 -2,-0.0 48,-0.2 0, 0.0 -0.299 95.5 -19.4 85.1-170.6 37.6 55.4 53.5 75 114 A N E S- 0 0 123 46,-0.1 47,-2.4 1,-0.1 48,-0.3 -0.125 75.7 -96.8 -65.2 169.5 35.7 52.8 51.4 76 115 A K E -B 121 0B 89 45,-0.2 45,-0.3 46,-0.1 -1,-0.1 -0.620 34.7-111.7 -91.0 146.2 32.3 53.5 49.9 77 116 A L - 0 0 19 43,-3.5 2,-0.2 -2,-0.2 43,-0.2 -0.199 45.1 -88.3 -67.1 166.8 29.0 52.4 51.6 78 117 A S >> - 0 0 57 1,-0.1 4,-2.0 41,-0.1 3,-1.1 -0.585 31.8-120.5 -79.4 143.7 27.0 49.6 49.9 79 118 A L H 3> S+ 0 0 73 1,-0.3 4,-1.9 -2,-0.2 -1,-0.1 0.783 115.2 54.4 -50.1 -32.1 24.5 50.8 47.3 80 119 A A H 3> S+ 0 0 12 2,-0.2 4,-2.0 1,-0.2 -1,-0.3 0.850 105.0 53.1 -73.5 -33.3 21.7 49.2 49.4 81 120 A D H <> S+ 0 0 5 -3,-1.1 4,-1.8 2,-0.2 -2,-0.2 0.910 111.9 44.9 -66.3 -42.3 22.8 51.2 52.5 82 121 A V H X S+ 0 0 2 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.874 111.2 53.2 -69.4 -37.3 22.6 54.5 50.6 83 122 A R H X S+ 0 0 19 -4,-1.9 4,-2.5 -5,-0.2 -2,-0.2 0.888 109.8 48.6 -64.4 -39.0 19.3 53.5 49.0 84 123 A A H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.877 108.8 53.7 -68.4 -38.4 17.8 52.8 52.4 85 124 A A H X S+ 0 0 0 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.979 109.9 47.2 -59.6 -53.8 19.2 56.1 53.7 86 125 A M H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 5,-0.2 0.944 110.0 52.6 -51.9 -53.8 17.4 58.0 50.8 87 126 A L H X S+ 0 0 1 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.917 112.6 45.6 -49.6 -46.7 14.2 56.2 51.4 88 127 A L H X S+ 0 0 3 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.855 108.6 55.3 -67.6 -34.8 14.3 57.2 55.1 89 128 A R H X S+ 0 0 3 -4,-2.6 4,-1.9 2,-0.2 3,-0.3 0.978 112.7 43.4 -59.9 -54.1 15.2 60.8 54.3 90 129 A A H X S+ 0 0 4 -4,-2.5 4,-0.8 1,-0.2 3,-0.4 0.972 110.5 53.8 -52.2 -63.5 12.1 61.1 52.1 91 130 A N H >< S+ 0 0 1 -4,-2.7 3,-0.6 1,-0.2 -1,-0.2 0.808 108.9 52.8 -42.7 -36.7 9.9 59.3 54.6 92 131 A S H >< S+ 0 0 2 -4,-1.9 3,-1.9 -3,-0.3 4,-0.3 0.945 102.6 53.0 -67.9 -51.8 11.0 61.8 57.2 93 132 A H H 3< S+ 0 0 1 -4,-1.9 3,-0.5 -3,-0.4 5,-0.3 0.509 95.4 77.3 -62.7 -4.2 10.2 65.0 55.3 94 133 A L T << S+ 0 0 12 -4,-0.8 -1,-0.3 -3,-0.6 -2,-0.2 0.594 75.9 67.9 -84.3 -13.7 6.8 63.6 54.8 95 134 A Y S < S- 0 0 97 -3,-1.9 -1,-0.2 -4,-0.2 -2,-0.2 0.669 106.9-130.7 -76.9 -13.0 5.6 64.4 58.3 96 135 A G S S+ 0 0 6 -3,-0.5 203,-0.3 -4,-0.3 -2,-0.1 0.975 76.4 111.3 65.1 59.1 5.9 67.9 57.1 97 136 A A + 0 0 21 -5,-0.2 200,-2.9 201,-0.1 -4,-0.1 0.159 61.9 73.4-139.2 9.5 7.9 69.5 59.9 98 137 A S S S- 0 0 1 -5,-0.3 81,-0.1 198,-0.2 196,-0.1 0.541 91.0-131.8-104.0 -9.9 11.1 70.0 57.9 99 138 A G + 0 0 4 1,-0.2 2,-0.3 198,-0.1 76,-0.3 0.947 54.6 146.3 57.5 51.3 10.0 72.9 55.7 100 139 A I - 0 0 2 -7,-0.2 2,-0.3 -63,-0.2 -1,-0.2 -0.928 53.5 -99.5-123.6 146.0 11.3 71.3 52.5 101 140 A R >> - 0 0 63 -2,-0.3 3,-2.9 1,-0.1 4,-1.6 -0.437 19.3-136.4 -66.5 125.1 10.0 71.4 48.9 102 141 A L H 3> S+ 0 0 47 1,-0.3 4,-1.1 -2,-0.3 5,-0.2 0.819 104.7 69.9 -48.4 -31.5 8.0 68.4 47.7 103 142 A E H 3> S+ 0 0 79 1,-0.2 4,-1.2 2,-0.2 -1,-0.3 0.832 103.0 41.3 -57.5 -32.1 10.0 68.7 44.5 104 143 A L H <> S+ 0 0 3 -3,-2.9 4,-1.0 2,-0.2 -1,-0.2 0.899 107.1 59.0 -81.9 -42.1 13.1 67.5 46.5 105 144 A I H X S+ 0 0 0 -4,-1.6 4,-0.7 1,-0.3 -2,-0.2 0.713 112.0 46.7 -57.5 -17.2 11.1 64.9 48.4 106 145 A Q H X S+ 0 0 82 -4,-1.1 4,-2.5 -5,-0.3 -1,-0.3 0.784 93.7 71.2 -95.4 -32.2 10.4 63.7 44.8 107 146 A R H X S+ 0 0 4 -4,-1.2 4,-1.6 1,-0.2 -2,-0.2 0.733 101.6 50.9 -55.1 -22.3 14.0 63.9 43.5 108 147 A I H X S+ 0 0 1 -4,-1.0 4,-3.6 2,-0.2 5,-0.3 0.935 104.2 52.9 -79.9 -52.0 14.6 60.9 45.7 109 148 A E H X S+ 0 0 53 -4,-0.7 4,-2.4 1,-0.2 -84,-0.2 0.879 111.4 50.9 -49.7 -39.0 11.7 58.8 44.5 110 149 A T H X S+ 0 0 43 -4,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.947 111.6 43.9 -66.2 -49.9 13.1 59.5 41.0 111 150 A F H X>S+ 0 0 1 -4,-1.6 5,-2.9 2,-0.2 4,-1.1 0.901 114.4 51.5 -62.1 -42.1 16.7 58.3 41.9 112 151 A L H <5S+ 0 0 3 -4,-3.6 3,-0.4 1,-0.2 -2,-0.2 0.942 116.0 39.1 -61.7 -46.3 15.3 55.3 43.8 113 152 A N H <5S+ 0 0 46 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.707 116.7 51.2 -77.7 -19.5 13.1 54.2 40.9 114 153 A A H <5S- 0 0 27 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.584 112.5-117.1 -92.0 -10.5 15.8 55.1 38.3 115 154 A G T <5 + 0 0 15 -4,-1.1 37,-2.1 -3,-0.4 2,-0.5 0.840 61.3 149.7 79.1 33.1 18.5 53.1 40.1 116 155 A V E < -C 151 0C 0 -5,-2.9 -1,-0.3 35,-0.2 35,-0.2 -0.879 20.4-179.0-101.7 130.1 20.7 56.1 40.8 117 156 A T E -C 150 0C 5 33,-1.4 33,-1.5 -2,-0.5 -34,-0.1 -0.940 21.0-137.0-133.8 111.0 22.8 55.9 43.9 118 157 A P E -C 149 0C 1 0, 0.0 2,-0.3 0, 0.0 31,-0.3 -0.294 31.7-106.2 -61.1 148.7 25.1 58.7 45.0 119 158 A H - 0 0 28 29,-1.9 2,-0.4 16,-0.2 20,-0.1 -0.615 39.5-172.2 -79.9 138.6 28.5 57.6 46.3 120 159 A V - 0 0 2 -2,-0.3 -43,-3.5 -43,-0.2 2,-0.1 -0.995 16.9-131.7-136.8 133.2 29.1 57.8 50.1 121 160 A Y E -B 76 0B 63 -2,-0.4 -45,-0.2 -45,-0.3 -47,-0.2 -0.446 14.2-133.0 -78.6 154.7 32.2 57.3 52.2 122 161 A E E S+ 0 0 45 -47,-2.4 2,-0.4 -49,-0.3 3,-0.2 0.692 89.6 60.4 -78.9 -22.1 32.3 55.1 55.3 123 162 A F E S+B 73 0B 100 -50,-2.3 -50,-1.5 -48,-0.3 -2,-0.1 -0.867 71.4 72.2-110.8 142.8 34.1 57.7 57.4 124 163 A G S S+ 0 0 41 1,-0.4 7,-0.4 -2,-0.4 2,-0.4 0.238 70.5 84.5 146.2 -19.5 32.8 61.2 58.2 125 164 A S - 0 0 10 -3,-0.2 -1,-0.4 5,-0.1 282,-0.3 -0.883 42.1-169.4-117.1 144.1 30.0 61.1 60.7 126 165 A I - 0 0 50 2,-0.5 278,-3.1 -2,-0.4 279,-0.4 0.372 59.3-101.1-107.0 2.6 30.1 61.0 64.5 127 166 A G S S+ 0 0 0 1,-0.6 185,-1.5 277,-0.3 276,-0.7 0.823 124.8 94.6 84.9 34.7 26.3 60.3 64.8 128 167 A X S S- 0 0 28 183,-0.2 -1,-0.6 274,-0.1 -2,-0.5 -0.541 100.8-141.8-123.5 96.8 25.0 63.8 65.7 129 170 A D > + 0 0 0 54,-3.2 4,-2.7 -2,-0.2 5,-0.4 -0.142 57.3 128.5 -86.9 39.8 25.0 62.2 59.5 130 171 A L H > + 0 0 38 -2,-0.4 4,-1.9 1,-0.2 -1,-0.2 0.858 60.4 42.6 -37.4 -66.4 26.0 65.6 58.1 131 172 A V H > S+ 0 0 15 -7,-0.4 4,-1.0 1,-0.2 -1,-0.2 0.942 117.2 45.6 -53.4 -54.5 28.9 64.6 55.9 132 173 A P H >> S+ 0 0 3 0, 0.0 4,-1.5 0, 0.0 3,-0.9 0.919 114.6 47.4 -57.3 -46.2 27.3 61.5 54.4 133 174 A L H 3X S+ 0 0 2 -4,-2.7 4,-2.9 1,-0.3 5,-0.2 0.783 102.8 64.7 -66.8 -25.2 24.0 63.3 53.7 134 175 A S H 3X S+ 0 0 0 -4,-1.9 4,-2.2 -5,-0.4 -1,-0.3 0.817 103.2 48.5 -67.4 -26.5 26.0 66.1 52.2 135 176 A Y H S+ 0 0 0 -4,-2.2 5,-1.4 1,-0.2 6,-0.4 0.871 112.4 47.5 -47.6 -41.1 25.1 67.3 46.4 139 180 A A H ><5S+ 0 0 0 -4,-1.7 3,-2.1 2,-0.2 -1,-0.2 0.968 107.5 54.3 -65.8 -54.4 24.2 64.5 44.0 140 181 A L H 3<5S+ 0 0 0 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.908 115.0 39.4 -45.2 -53.8 20.4 65.0 44.1 141 182 A I T 3<5S- 0 0 1 -4,-2.2 29,-1.1 28,-0.1 -1,-0.3 0.353 104.0-127.1 -83.7 7.7 20.7 68.7 43.1 142 183 A G T < 5 + 0 0 1 -3,-2.1 -3,-0.2 -5,-0.2 27,-0.1 0.755 47.2 164.0 52.9 28.3 23.6 68.1 40.6 143 184 A L < - 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0 0 44 -5,-3.6 2,-0.5 -6,-0.1 -1,-0.2 -0.818 48.7-129.4-107.3 143.0 16.0 66.8 35.7 168 209 A P - 0 0 79 0, 0.0 -5,-0.0 0, 0.0 -26,-0.0 -0.811 32.7-107.5 -93.2 121.9 17.0 70.5 36.3 169 210 A K - 0 0 129 -2,-0.5 2,-0.3 -27,-0.1 -27,-0.2 -0.011 43.5-136.0 -40.8 152.1 19.8 71.2 38.8 170 211 A L - 0 0 18 -29,-1.1 2,-0.5 -3,-0.0 -1,-0.1 -0.785 7.0-137.6-117.2 164.5 18.2 72.6 41.9 171 212 A Q - 0 0 91 -2,-0.3 -111,-0.1 -28,-0.0 2,-0.0 -0.981 29.3-115.2-123.7 119.0 19.1 75.5 44.3 172 213 A L - 0 0 0 -2,-0.5 -109,-0.2 -113,-0.2 -110,-0.2 -0.274 30.6-145.6 -59.0 128.9 18.8 75.1 48.0 173 214 A Q > - 0 0 67 -111,-0.1 4,-0.7 -2,-0.0 3,-0.2 -0.316 40.1 -66.4 -88.1 172.2 16.2 77.3 49.6 174 215 A P T 4 S+ 0 0 19 0, 0.0 3,-0.3 0, 0.0 -112,-0.1 0.740 127.2 8.6 -21.7 -77.0 16.2 78.9 53.1 175 216 A K T >> S+ 0 0 14 -76,-0.3 4,-1.8 1,-0.2 3,-0.7 0.673 101.1 98.9 -88.5 -20.1 16.0 75.9 55.4 176 217 A E H 3> S+ 0 0 4 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.692 75.5 60.1 -42.7 -33.0 16.4 73.0 52.9 177 218 A G H 3X S+ 0 0 0 -4,-0.7 4,-3.0 -3,-0.3 3,-0.2 0.985 110.7 39.6 -62.9 -54.5 20.2 72.4 53.5 178 219 A L H <> S+ 0 0 59 -3,-0.7 4,-1.5 1,-0.2 116,-0.3 0.868 113.1 57.5 -59.0 -39.2 19.7 71.6 57.2 179 220 A A H < S+ 0 0 0 -4,-1.8 -1,-0.2 2,-0.2 -2,-0.2 0.883 115.3 36.9 -60.7 -38.5 16.5 69.7 56.3 180 221 A M H < S+ 0 0 3 -4,-1.9 -2,-0.2 -3,-0.2 -1,-0.2 0.963 126.7 32.4 -77.5 -54.0 18.5 67.5 54.0 181 222 A M H < S+ 0 0 0 -4,-3.0 2,-0.6 -5,-0.2 -48,-0.2 0.270 99.4 82.8 -91.3 7.5 21.9 67.1 55.8 182 223 A N S < S+ 0 0 7 -4,-1.5 2,-0.3 -5,-0.2 110,-0.1 -0.949 76.1 58.3-114.2 112.7 20.8 67.2 59.4 183 224 A G S S- 0 0 0 -2,-0.6 -54,-3.2 127,-0.2 129,-0.1 -0.984 80.7 -91.0 162.5-172.3 19.6 63.8 60.6 184 225 A T S > S+ 0 0 2 -2,-0.3 4,-1.6 -56,-0.2 5,-0.1 0.004 74.2 116.1-126.0 30.5 20.1 60.1 61.3 185 226 A S H > S+ 0 0 5 2,-0.2 4,-0.9 1,-0.2 -97,-0.2 0.864 76.0 46.0 -70.9 -36.1 18.9 58.6 58.0 186 227 A V H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.917 117.0 41.2 -75.3 -42.4 22.1 57.1 56.8 187 228 A M H > S+ 0 0 0 1,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.859 117.7 49.8 -73.3 -30.8 23.2 55.4 60.0 188 229 A T H X S+ 0 0 1 -4,-1.6 4,-1.7 2,-0.2 -1,-0.2 0.718 111.3 49.5 -77.4 -20.1 19.6 54.3 60.5 189 230 A G H X S+ 0 0 0 -4,-0.9 4,-1.6 2,-0.2 -2,-0.2 0.861 110.2 48.3 -82.8 -42.2 19.5 53.0 57.0 190 231 A I H X S+ 0 0 0 -4,-2.4 4,-1.2 1,-0.2 -2,-0.2 0.902 114.3 51.3 -60.5 -37.6 22.7 51.1 57.4 191 232 A A H X S+ 0 0 0 -4,-1.7 4,-2.6 2,-0.2 5,-0.2 0.878 102.2 54.8 -67.4 -45.8 21.1 49.8 60.7 192 233 A A H X S+ 0 0 0 -4,-1.7 4,-2.1 1,-0.2 -1,-0.2 0.896 108.4 52.2 -57.6 -39.9 17.8 48.6 59.3 193 234 A N H X S+ 0 0 0 -4,-1.6 4,-2.1 2,-0.2 -1,-0.2 0.853 110.2 47.8 -65.7 -35.2 19.7 46.5 56.8 194 235 A C H X S+ 0 0 0 -4,-1.2 4,-3.4 2,-0.2 5,-0.2 0.956 108.9 51.5 -71.0 -50.2 21.8 44.9 59.6 195 236 A V H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 5,-0.2 0.935 111.6 50.4 -50.2 -47.9 18.8 44.1 61.9 196 237 A Y H >X S+ 0 0 44 -4,-2.1 4,-1.8 -5,-0.2 3,-0.5 0.973 112.6 43.4 -54.1 -62.0 17.2 42.4 58.9 197 238 A D H 3X S+ 0 0 8 -4,-2.1 4,-2.8 1,-0.3 5,-0.2 0.856 112.7 55.5 -51.0 -39.8 20.3 40.3 58.1 198 239 A A H 3X S+ 0 0 8 -4,-3.4 4,-2.3 1,-0.2 -1,-0.3 0.875 104.6 51.1 -63.2 -41.2 20.7 39.6 61.8 199 240 A K H S+ 0 0 1 -4,-3.8 5,-2.7 1,-0.2 4,-0.3 0.825 112.4 46.7 -56.8 -33.0 21.2 18.2 67.8 214 255 A Q H <5S+ 0 0 0 -4,-1.6 3,-0.5 -5,-0.3 -1,-0.2 0.839 108.9 53.1 -78.7 -33.5 20.2 15.5 65.4 215 256 A G H <5S+ 0 0 0 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.777 113.9 45.1 -70.1 -24.2 23.8 14.8 64.4 216 257 A L T <5S- 0 0 1 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.474 107.2-127.8 -95.0 -7.2 24.5 14.4 68.1 217 258 A Y T 5 + 0 0 91 -3,-0.5 37,-0.2 -4,-0.3 -3,-0.2 0.883 49.0 170.1 61.2 37.6 21.4 12.2 68.8 218 259 A G < - 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