==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRAL PROTEIN 23-AUG-07 2Z7J . COMPND 2 MOLECULE: CAPSID ASSEMBLY PROTEIN VP3; . SOURCE 2 ORGANISM_SCIENTIFIC: INFECTIOUS BURSAL DISEASE VIRUS; . AUTHOR A.CASANAS,A.NAVARRO,C.FERRER-ORTA,D.GONZALEZ,J.F.RODRIGUEZ, . 125 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8903.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 76 60.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 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 . 3 2.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 57 45.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 2.4 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 0 0 1 0 1 2 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 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 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 96 A A > 0 0 105 0, 0.0 4,-0.9 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 -37.0 48.3 -10.3 43.8 2 97 A Q H > + 0 0 98 2,-0.2 4,-1.7 3,-0.1 5,-0.1 0.829 360.0 48.4 -84.9 -37.6 44.6 -10.3 44.7 3 98 A R H > S+ 0 0 208 2,-0.2 4,-2.6 1,-0.2 5,-0.1 0.897 113.4 46.7 -65.8 -45.0 44.7 -6.8 46.1 4 99 A E H > S+ 0 0 141 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.863 109.0 55.3 -67.4 -38.4 46.5 -5.4 43.0 5 100 A K H X S+ 0 0 93 -4,-0.9 4,-2.2 2,-0.2 -1,-0.2 0.902 112.2 43.2 -59.6 -43.6 44.0 -7.3 40.7 6 101 A D H X S+ 0 0 12 -4,-1.7 4,-2.8 2,-0.2 -2,-0.2 0.919 115.4 48.3 -68.8 -45.7 41.1 -5.5 42.5 7 102 A T H X S+ 0 0 48 -4,-2.6 4,-2.8 2,-0.2 -2,-0.2 0.885 112.2 50.2 -58.8 -41.6 42.9 -2.2 42.5 8 103 A R H X S+ 0 0 150 -4,-3.0 4,-2.1 2,-0.2 -2,-0.2 0.937 113.6 43.6 -64.3 -49.4 43.7 -2.6 38.7 9 104 A I H X S+ 0 0 27 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.918 115.3 49.9 -60.4 -45.2 40.1 -3.4 37.8 10 105 A S H X S+ 0 0 5 -4,-2.8 4,-2.4 1,-0.2 5,-0.2 0.914 108.0 53.1 -61.3 -45.1 38.9 -0.6 40.0 11 106 A K H X S+ 0 0 133 -4,-2.8 4,-1.7 1,-0.2 -1,-0.2 0.889 107.6 51.7 -57.3 -43.2 41.3 1.8 38.4 12 107 A K H < S+ 0 0 140 -4,-2.1 4,-0.4 1,-0.2 -1,-0.2 0.916 111.9 46.6 -56.5 -46.3 40.0 0.9 34.9 13 108 A M H ><>S+ 0 0 23 -4,-2.0 5,-2.3 1,-0.2 3,-1.1 0.886 110.5 50.5 -67.5 -42.2 36.4 1.5 36.0 14 109 A E H ><5S+ 0 0 69 -4,-2.4 3,-1.5 1,-0.3 -1,-0.2 0.844 102.0 61.9 -65.9 -34.8 37.0 4.9 37.7 15 110 A T T 3<5S+ 0 0 127 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.712 106.4 48.6 -59.3 -19.0 38.9 6.1 34.6 16 111 A M T < 5S- 0 0 115 -3,-1.1 -1,-0.3 -4,-0.4 -2,-0.2 0.393 122.3-105.5-103.8 -3.0 35.4 5.5 32.9 17 112 A G T < 5S+ 0 0 16 -3,-1.5 2,-1.4 1,-0.2 -3,-0.2 0.663 75.2 140.0 82.1 16.8 33.4 7.4 35.5 18 113 A I > < + 0 0 15 -5,-2.3 3,-1.0 1,-0.2 -1,-0.2 -0.703 27.6 177.6 -89.3 85.1 32.0 4.2 37.0 19 114 A Y T 3 + 0 0 162 -2,-1.4 -1,-0.2 1,-0.3 -5,-0.1 0.724 64.2 61.3 -73.2 -24.2 32.3 5.6 40.5 20 115 A F T 3 S+ 0 0 11 1,-0.2 2,-2.5 -3,-0.1 -1,-0.3 0.743 78.8 91.4 -73.5 -23.1 30.8 2.7 42.5 21 116 A A < + 0 0 0 -3,-1.0 -7,-0.3 4,-0.1 -1,-0.2 -0.366 56.1 159.3 -81.7 68.1 33.5 0.1 41.4 22 117 A T > - 0 0 46 -2,-2.5 4,-2.7 1,-0.1 5,-0.2 -0.235 59.9 -98.8 -75.0 168.6 36.0 0.7 44.2 23 118 A P H > S+ 0 0 42 0, 0.0 4,-2.1 0, 0.0 8,-0.1 0.867 128.0 50.9 -59.0 -32.2 38.6 -2.0 45.1 24 119 A E H > S+ 0 0 127 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.902 109.6 48.6 -69.5 -41.5 36.2 -3.1 47.9 25 120 A W H > S+ 0 0 13 -5,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.941 111.9 49.4 -64.1 -46.2 33.3 -3.4 45.5 26 121 A V H <>S+ 0 0 0 -4,-2.7 5,-1.8 2,-0.2 6,-0.9 0.898 110.7 50.2 -58.9 -43.6 35.3 -5.4 43.0 27 122 A A H ><5S+ 0 0 39 -4,-2.1 3,-1.9 1,-0.2 -2,-0.2 0.944 110.8 48.8 -57.7 -49.0 36.5 -7.7 45.8 28 123 A L H 3<5S+ 0 0 123 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.737 107.4 57.6 -63.0 -22.7 32.9 -8.3 47.0 29 124 A N T 3<5S- 0 0 18 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.234 128.9 -97.6 -91.7 12.4 32.0 -8.9 43.4 30 125 A G T < 5S- 0 0 33 -3,-1.9 -3,-0.2 1,-0.2 -2,-0.2 0.884 72.1 -59.5 74.7 40.2 34.5 -11.7 43.2 31 126 A H S - 0 0 39 -3,-0.1 4,-2.2 1,-0.1 5,-0.2 -0.334 35.7 -97.5 -76.9 169.8 28.3 -7.1 34.6 36 131 A P H > S+ 0 0 107 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.915 126.2 54.0 -53.4 -43.2 26.2 -5.3 32.0 37 132 A G H > S+ 0 0 11 17,-0.4 4,-2.3 1,-0.2 18,-0.2 0.892 108.6 46.5 -57.6 -46.9 23.2 -5.7 34.3 38 133 A Q H > S+ 0 0 5 16,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.880 112.9 50.3 -64.7 -42.3 25.0 -4.0 37.3 39 134 A L H X S+ 0 0 55 -4,-2.2 4,-3.0 2,-0.2 -2,-0.2 0.910 112.4 46.8 -60.2 -46.3 26.2 -1.2 35.1 40 135 A K H X S+ 0 0 48 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.877 110.8 51.8 -65.6 -41.0 22.7 -0.6 33.7 41 136 A Y H X S+ 0 0 47 -4,-2.3 4,-0.9 -5,-0.2 5,-0.3 0.949 114.6 43.5 -58.8 -49.5 21.1 -0.7 37.1 42 137 A W H >X S+ 0 0 31 -4,-2.3 4,-3.7 3,-0.2 3,-0.8 0.939 113.3 51.3 -60.7 -49.8 23.6 1.9 38.4 43 138 A Q H 3< S+ 0 0 66 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.912 116.7 39.1 -52.5 -46.9 23.3 4.1 35.3 44 139 A N H 3< S+ 0 0 53 -4,-2.5 -1,-0.2 1,-0.1 -2,-0.2 0.588 133.0 23.5 -79.7 -10.6 19.5 4.2 35.5 45 140 A T H << S- 0 0 47 -4,-0.9 -3,-0.2 -3,-0.8 -2,-0.2 0.623 83.4-139.2-133.6 -28.8 19.3 4.5 39.2 46 141 A R < + 0 0 141 -4,-3.7 2,-0.3 -5,-0.3 -4,-0.2 0.849 62.9 124.9 50.0 38.1 22.6 5.9 40.5 47 142 A E S S- 0 0 105 -6,-0.3 -1,-0.3 -5,-0.1 -2,-0.2 -0.897 75.1 -94.2-113.6 151.2 22.4 3.5 43.4 48 143 A I - 0 0 122 -2,-0.3 2,-0.1 -3,-0.1 -27,-0.0 -0.495 44.8-119.6 -66.2 126.3 25.3 1.1 44.1 49 144 A P - 0 0 1 0, 0.0 -1,-0.1 0, 0.0 -11,-0.1 -0.463 27.2-107.6 -66.8 140.7 24.7 -2.2 42.5 50 145 A D > - 0 0 77 1,-0.2 3,-1.4 -2,-0.1 5,-0.0 -0.565 19.1-141.6 -65.7 120.0 24.5 -5.2 44.7 51 146 A P T 3 S+ 0 0 29 0, 0.0 -1,-0.2 0, 0.0 -13,-0.0 0.633 102.2 56.0 -57.6 -12.9 27.7 -7.3 44.2 52 147 A N T 3 S+ 0 0 143 2,-0.0 2,-0.3 0, 0.0 -2,-0.0 0.645 92.8 80.0 -93.0 -18.9 25.4 -10.3 44.5 53 148 A E < - 0 0 88 -3,-1.4 -15,-0.1 1,-0.1 0, 0.0 -0.732 52.3-167.1 -96.0 139.3 22.9 -9.4 41.8 54 149 A D - 0 0 87 -2,-0.3 -17,-0.4 -17,-0.1 -16,-0.3 0.594 26.7-147.7 -92.5 -16.3 23.4 -10.0 38.1 55 150 A Y > + 0 0 24 -18,-0.2 3,-0.9 1,-0.1 -2,-0.1 0.741 50.8 139.6 52.7 31.2 20.4 -7.9 37.2 56 151 A L T 3 S+ 0 0 128 1,-0.2 -1,-0.1 3,-0.0 -3,-0.0 0.599 75.5 45.0 -78.2 -11.5 19.7 -10.0 34.1 57 152 A D T 3 S+ 0 0 144 2,-0.1 2,-0.6 0, 0.0 -1,-0.2 0.209 83.6 119.7-111.6 9.9 16.0 -9.7 34.9 58 153 A Y < - 0 0 66 -3,-0.9 2,-0.5 -4,-0.0 -18,-0.0 -0.689 62.8-136.8 -76.0 118.6 16.2 -6.0 35.6 59 154 A V + 0 0 137 -2,-0.6 2,-0.3 2,-0.0 -2,-0.1 -0.684 40.1 146.3 -86.7 125.5 13.9 -4.4 33.0 60 155 A H - 0 0 65 -2,-0.5 2,-0.3 0, 0.0 3,-0.1 -0.986 48.7 -97.1-155.4 158.0 15.3 -1.3 31.3 61 156 A A - 0 0 59 -2,-0.3 -2,-0.0 1,-0.1 0, 0.0 -0.633 23.6-140.8 -80.0 136.5 15.4 0.8 28.1 62 157 A E S S+ 0 0 141 -2,-0.3 2,-0.4 1,-0.1 -1,-0.1 0.987 96.3 59.3 -56.9 -62.8 18.4 0.2 25.8 63 158 A K S S- 0 0 148 1,-0.1 -2,-0.1 -3,-0.1 -1,-0.1 -0.597 74.5-172.8 -67.6 121.5 18.6 4.0 25.1 64 159 A S - 0 0 35 -2,-0.4 -1,-0.1 2,-0.1 -3,-0.1 0.868 4.0-165.0 -93.8 -43.5 19.1 5.6 28.5 65 160 A R + 0 0 117 1,-0.2 2,-0.4 40,-0.1 41,-0.1 0.960 22.6 152.7 47.5 88.3 18.9 9.4 28.1 66 161 A L - 0 0 86 39,-0.0 2,-0.4 40,-0.0 -1,-0.2 -0.983 30.3-144.3-133.3 137.6 20.2 11.3 31.1 67 162 A A - 0 0 29 -2,-0.4 2,-0.1 33,-0.1 39,-0.0 -0.817 2.9-146.4-108.8 141.3 21.6 14.8 30.6 68 163 A S > - 0 0 55 -2,-0.4 4,-1.7 1,-0.1 5,-0.1 -0.431 38.1-102.4 -83.2 172.5 24.5 16.6 32.2 69 164 A E H > S+ 0 0 169 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.850 123.2 59.0 -64.4 -35.5 24.4 20.3 32.8 70 165 A E H > S+ 0 0 131 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.937 108.0 46.0 -55.5 -49.4 26.7 20.8 29.7 71 166 A Q H > S+ 0 0 97 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.850 112.2 50.3 -60.7 -41.7 24.1 19.1 27.6 72 167 A I H X S+ 0 0 20 -4,-1.7 4,-3.1 1,-0.2 -2,-0.2 0.909 109.8 51.4 -66.1 -42.5 21.3 21.2 29.2 73 168 A L H X S+ 0 0 49 -4,-3.0 4,-2.3 2,-0.2 -2,-0.2 0.859 109.7 49.0 -61.9 -37.8 23.2 24.4 28.5 74 169 A R H X S+ 0 0 181 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.935 114.0 46.0 -68.9 -44.9 23.7 23.5 24.8 75 170 A A H X S+ 0 0 20 -4,-2.1 4,-2.1 2,-0.2 5,-0.2 0.948 114.5 47.7 -58.5 -50.8 20.0 22.7 24.4 76 171 A A H X S+ 0 0 0 -4,-3.1 4,-2.6 1,-0.2 -2,-0.2 0.907 111.0 53.4 -56.0 -43.2 19.0 25.9 26.3 77 172 A T H X S+ 0 0 22 -4,-2.3 4,-1.5 1,-0.2 5,-0.5 0.858 110.0 44.3 -65.3 -39.7 21.5 27.9 24.1 78 173 A S H < S+ 0 0 88 -4,-2.0 -1,-0.2 2,-0.2 -2,-0.2 0.844 115.5 48.0 -78.3 -31.1 20.1 26.7 20.8 79 174 A I H < S+ 0 0 20 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.921 109.3 53.3 -68.0 -46.2 16.5 27.2 21.8 80 175 A Y H < S- 0 0 21 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.870 88.1-161.7 -59.8 -40.3 17.1 30.7 23.2 81 176 A G < + 0 0 37 -4,-1.5 -3,-0.1 -5,-0.2 -1,-0.1 0.833 16.1 176.8 63.6 38.3 18.7 31.8 19.9 82 177 A A > - 0 0 14 -5,-0.5 3,-1.8 4,-0.3 -1,-0.2 -0.482 39.9 -93.1 -70.8 141.5 20.5 34.8 21.2 83 178 A P G > S+ 0 0 118 0, 0.0 3,-1.3 0, 0.0 -1,-0.1 -0.218 116.5 18.7 -50.4 147.4 22.8 36.7 18.7 84 179 A G G 3 S- 0 0 87 1,-0.3 -2,-0.1 -3,-0.1 -3,-0.0 0.521 119.5 -99.8 57.5 9.0 26.4 35.6 18.8 85 180 A Q G < + 0 0 100 -3,-1.8 -1,-0.3 1,-0.1 -4,-0.1 0.820 67.9 171.3 45.3 42.1 24.8 32.5 20.4 86 181 A A < - 0 0 60 -3,-1.3 -4,-0.3 1,-0.2 -1,-0.1 -0.184 43.5 -67.8 -70.1 167.3 25.9 33.8 23.9 87 182 A E - 0 0 132 1,-0.1 -1,-0.2 -7,-0.0 3,-0.1 -0.346 51.7-125.2 -62.9 134.4 24.7 32.2 27.1 88 183 A P - 0 0 8 0, 0.0 -1,-0.1 0, 0.0 -11,-0.1 -0.276 40.4 -78.2 -68.9 162.5 20.9 32.5 27.9 89 184 A P > - 0 0 55 0, 0.0 4,-1.8 0, 0.0 3,-0.4 -0.230 39.7-116.9 -56.8 153.6 19.7 34.0 31.3 90 185 A Q H > S+ 0 0 120 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.816 114.3 61.9 -63.4 -30.7 19.8 31.6 34.2 91 186 A A H > S+ 0 0 55 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.868 106.5 44.2 -64.2 -38.8 16.0 31.8 34.5 92 187 A F H > S+ 0 0 0 -3,-0.4 4,-2.0 2,-0.2 -1,-0.2 0.869 111.0 53.5 -72.8 -38.8 15.7 30.3 31.0 93 188 A I H X S+ 0 0 16 -4,-1.8 4,-2.6 1,-0.2 -2,-0.2 0.888 106.0 54.5 -62.2 -39.4 18.3 27.6 31.7 94 189 A D H X S+ 0 0 75 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.840 106.7 51.5 -59.7 -38.1 16.4 26.6 34.8 95 190 A E H X S+ 0 0 70 -4,-1.0 4,-1.5 2,-0.2 -2,-0.2 0.891 110.5 47.6 -67.8 -43.5 13.3 26.1 32.7 96 191 A V H X S+ 0 0 0 -4,-2.0 4,-1.7 1,-0.2 3,-0.3 0.931 111.2 52.1 -60.9 -44.6 15.2 23.9 30.3 97 192 A A H X S+ 0 0 18 -4,-2.6 4,-1.5 1,-0.2 -2,-0.2 0.851 106.5 53.4 -59.1 -40.2 16.6 21.9 33.2 98 193 A K H X S+ 0 0 114 -4,-1.9 4,-2.8 2,-0.2 -1,-0.2 0.830 103.6 56.2 -65.6 -34.2 13.1 21.4 34.7 99 194 A V H X S+ 0 0 9 -4,-1.5 4,-2.1 -3,-0.3 -2,-0.2 0.922 105.8 51.5 -62.2 -43.9 12.0 19.9 31.3 100 195 A Y H <>S+ 0 0 22 -4,-1.7 5,-3.3 2,-0.2 6,-0.3 0.864 111.5 47.9 -58.8 -37.0 14.8 17.4 31.6 101 196 A E H ><5S+ 0 0 144 -4,-1.5 3,-1.6 3,-0.2 -2,-0.2 0.927 110.0 50.3 -69.6 -48.6 13.6 16.5 35.1 102 197 A I H 3<5S+ 0 0 108 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.867 112.4 49.6 -51.6 -40.9 10.0 16.1 34.0 103 198 A N T ><5S- 0 0 21 -4,-2.1 3,-1.8 3,-0.3 -1,-0.3 0.163 114.1-115.5 -91.3 16.1 11.1 13.8 31.2 104 199 A H T < 5S- 0 0 160 -3,-1.6 -3,-0.2 1,-0.3 -2,-0.1 0.805 86.8 -35.3 56.1 30.5 13.3 11.6 33.4 105 200 A G T 3 - 0 0 83 -3,-0.1 4,-2.3 1,-0.0 5,-0.2 -0.257 41.8 -86.9 -73.6 177.1 9.0 16.9 23.4 110 205 A Q H > S+ 0 0 164 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.873 129.0 48.3 -58.6 -41.6 7.2 19.0 20.7 111 206 A E H > S+ 0 0 124 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.893 113.1 47.7 -67.5 -37.7 4.8 20.6 23.2 112 207 A Q H > S+ 0 0 30 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.824 106.1 58.8 -72.0 -33.4 7.6 21.5 25.6 113 208 A M H X S+ 0 0 67 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.907 105.9 48.9 -57.5 -46.7 9.6 23.0 22.8 114 209 A K H X S+ 0 0 110 -4,-1.6 4,-2.8 2,-0.2 -2,-0.2 0.934 110.7 49.8 -58.1 -48.5 6.8 25.4 22.1 115 210 A D H X S+ 0 0 83 -4,-1.7 4,-2.3 1,-0.2 -2,-0.2 0.883 113.5 46.4 -58.0 -42.5 6.5 26.4 25.7 116 211 A L H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.836 111.1 52.0 -69.8 -36.9 10.3 27.0 25.9 117 212 A L H X S+ 0 0 81 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.948 111.2 46.7 -64.4 -50.2 10.3 29.0 22.6 118 213 A L H X S+ 0 0 112 -4,-2.8 4,-2.8 1,-0.2 5,-0.2 0.933 112.4 51.1 -54.6 -49.5 7.5 31.2 24.0 119 214 A T H X S+ 0 0 29 -4,-2.3 4,-1.6 1,-0.2 -2,-0.2 0.889 109.0 51.0 -55.5 -46.7 9.5 31.6 27.3 120 215 A A H X S+ 0 0 1 -4,-2.5 4,-1.2 2,-0.2 -1,-0.2 0.932 112.5 47.2 -54.1 -48.6 12.7 32.6 25.4 121 216 A M H >X S+ 0 0 99 -4,-2.3 4,-4.2 1,-0.2 3,-0.6 0.925 109.6 50.5 -65.2 -47.3 10.7 35.2 23.4 122 217 A E H 3< S+ 0 0 125 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.804 111.0 51.7 -59.7 -30.4 9.0 36.7 26.4 123 218 A M H 3< S+ 0 0 78 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.711 118.0 37.1 -79.4 -23.6 12.4 37.0 28.1 124 219 A K H << 0 0 108 -4,-1.2 -2,-0.2 -3,-0.6 -3,-0.2 0.859 360.0 360.0 -89.4 -48.5 13.9 38.8 25.1 125 220 A H < 0 0 159 -4,-4.2 -3,-0.2 -5,-0.2 -2,-0.1 0.879 360.0 360.0 -98.6 360.0 10.8 40.8 24.2