==== 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 INHIBITOR 29-MAR-06 2CJ5 . COMPND 2 MOLECULE: INVERTASE INHIBITOR; . SOURCE 2 ORGANISM_SCIENTIFIC: NICOTIANA TABACUM; . AUTHOR M.HOTHORN,K.SCHEFFZEK . 147 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7948.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 118 80.3 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 . 1 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 98 66.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.4 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 0 0 1 1 0 1 0 0 0 0 1 0 0 1 1 0 0 0 0 0 0 1 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 4 A N > 0 0 102 0, 0.0 4,-2.7 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -50.5 2.9 45.0 29.5 2 5 A N H > + 0 0 121 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.898 360.0 45.8 -71.1 -40.1 0.6 47.6 31.0 3 6 A L H > S+ 0 0 77 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.871 114.8 48.8 -59.2 -41.7 3.5 50.1 30.5 4 7 A V H > S+ 0 0 1 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.935 112.0 47.8 -65.5 -42.8 3.9 48.7 27.0 5 8 A E H X S+ 0 0 67 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.940 114.7 46.0 -65.4 -43.5 0.2 49.0 26.3 6 9 A T H X S+ 0 0 84 -4,-2.5 4,-0.9 2,-0.2 -1,-0.2 0.899 114.8 47.0 -64.6 -45.8 0.1 52.6 27.6 7 10 A T H >< S+ 0 0 6 -4,-2.4 3,-0.8 -5,-0.2 -2,-0.2 0.945 113.3 48.2 -59.8 -49.4 3.2 53.6 25.8 8 11 A a H >< S+ 0 0 0 -4,-2.9 3,-1.0 1,-0.3 5,-0.3 0.808 102.1 62.0 -66.7 -32.7 2.0 52.0 22.5 9 12 A K H 3< S+ 0 0 154 -4,-2.1 2,-0.4 1,-0.3 -1,-0.3 0.830 100.0 58.0 -59.5 -32.0 -1.4 53.6 22.7 10 13 A N T << S+ 0 0 96 -4,-0.9 -1,-0.3 -3,-0.8 -2,-0.1 -0.288 95.9 80.5 -94.2 42.8 0.4 56.9 22.5 11 14 A T S < S- 0 0 19 -3,-1.0 3,-0.3 -2,-0.4 127,-0.1 -0.915 91.5-107.6-136.5 164.8 2.1 56.2 19.1 12 15 A P S S+ 0 0 96 0, 0.0 2,-0.2 0, 0.0 126,-0.1 0.512 110.9 37.7 -73.1 -3.2 0.9 56.3 15.5 13 16 A N > - 0 0 55 -5,-0.3 4,-2.3 1,-0.1 5,-0.2 -0.683 63.8-177.5-152.8 89.2 0.7 52.5 15.2 14 17 A Y H > S+ 0 0 89 -3,-0.3 4,-2.6 1,-0.2 5,-0.1 0.897 83.7 43.5 -55.5 -53.1 -0.5 50.6 18.3 15 18 A Q H > S+ 0 0 126 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.842 113.5 50.9 -70.6 -34.4 -0.2 47.0 17.0 16 19 A L H > S+ 0 0 41 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.915 113.0 46.7 -64.1 -46.5 3.2 47.6 15.4 17 20 A a H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 5,-0.3 0.933 113.8 48.9 -60.7 -47.2 4.6 49.1 18.6 18 21 A L H X S+ 0 0 16 -4,-2.6 4,-2.5 -5,-0.2 5,-0.2 0.939 112.0 46.6 -58.7 -50.8 3.1 46.2 20.6 19 22 A K H X S+ 0 0 157 -4,-2.6 4,-0.8 1,-0.2 -1,-0.2 0.914 115.6 47.6 -59.4 -44.2 4.5 43.4 18.4 20 23 A T H < S+ 0 0 21 -4,-2.2 4,-0.3 -5,-0.2 -1,-0.2 0.903 115.9 40.9 -64.1 -47.0 7.9 45.1 18.3 21 24 A L H >< S+ 0 0 0 -4,-2.5 3,-1.5 1,-0.2 6,-0.4 0.913 115.2 50.3 -73.6 -40.5 8.3 45.7 22.1 22 25 A L H 3< S+ 0 0 85 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.587 97.8 69.3 -76.8 -10.9 6.8 42.4 23.1 23 26 A S T 3< S+ 0 0 98 -4,-0.8 2,-0.5 -5,-0.2 -1,-0.3 0.644 93.4 71.5 -70.4 -17.3 9.2 40.6 20.8 24 27 A D S X> S- 0 0 37 -3,-1.5 3,-2.1 -4,-0.3 4,-0.5 -0.909 75.3-142.7-114.8 125.6 12.0 41.6 23.1 25 28 A K G >4 S+ 0 0 174 -2,-0.5 3,-0.6 1,-0.3 5,-0.2 0.757 97.1 70.3 -50.2 -31.9 12.7 40.1 26.6 26 29 A R G 3> S+ 0 0 71 1,-0.2 4,-1.5 3,-0.1 -1,-0.3 0.598 87.2 63.6 -68.5 -16.4 13.7 43.6 27.9 27 30 A S G <4 S+ 0 0 8 -3,-2.1 2,-3.0 -6,-0.4 -1,-0.2 0.865 84.9 74.3 -75.6 -39.3 10.1 44.9 27.7 28 31 A A T << S+ 0 0 70 -3,-0.6 -1,-0.2 -4,-0.5 3,-0.1 -0.365 125.2 3.4 -70.9 61.2 8.9 42.5 30.3 29 32 A T T 4 S+ 0 0 137 -2,-3.0 -1,-0.2 1,-0.4 -2,-0.2 -0.075 105.0 118.2 149.7 -31.8 10.7 44.6 33.0 30 33 A G < - 0 0 14 -4,-1.5 -1,-0.4 -5,-0.2 2,-0.1 -0.233 54.0-137.2 -64.0 149.7 12.1 47.5 31.0 31 34 A D > - 0 0 86 -3,-0.1 4,-1.8 -28,-0.0 3,-0.1 -0.211 44.5 -76.8 -88.4-168.1 11.0 51.1 31.6 32 35 A I H > S+ 0 0 32 1,-0.3 4,-2.4 2,-0.2 5,-0.2 0.847 131.3 54.2 -70.0 -34.8 10.3 53.6 28.9 33 36 A T H > S+ 0 0 37 1,-0.2 4,-2.6 2,-0.2 -1,-0.3 0.919 108.6 51.1 -60.5 -42.8 13.9 54.3 28.0 34 37 A T H > S+ 0 0 31 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.889 107.6 52.9 -60.8 -39.6 14.3 50.5 27.5 35 38 A L H X S+ 0 0 0 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.906 108.3 49.5 -64.4 -43.6 11.2 50.6 25.3 36 39 A A H X S+ 0 0 1 -4,-2.4 4,-2.7 2,-0.2 -1,-0.2 0.937 110.5 51.2 -56.9 -47.8 12.8 53.3 23.1 37 40 A L H X S+ 0 0 28 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.884 107.9 51.6 -58.6 -40.1 16.0 51.3 22.9 38 41 A I H X S+ 0 0 4 -4,-2.3 4,-1.7 2,-0.2 -1,-0.2 0.919 110.5 49.4 -60.5 -42.3 14.1 48.2 21.8 39 42 A M H X S+ 0 0 0 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.913 107.4 53.9 -68.1 -44.4 12.4 50.3 19.1 40 43 A V H X S+ 0 0 0 -4,-2.7 4,-2.7 1,-0.2 -1,-0.2 0.909 108.0 51.0 -51.5 -48.4 15.9 51.7 17.9 41 44 A D H X S+ 0 0 61 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.856 108.0 52.2 -58.1 -38.1 17.1 48.1 17.6 42 45 A A H X S+ 0 0 24 -4,-1.7 4,-1.8 2,-0.2 -2,-0.2 0.902 110.9 46.9 -64.7 -39.1 14.0 47.2 15.4 43 46 A I H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.923 110.1 54.4 -68.4 -44.7 14.7 50.1 13.1 44 47 A K H X S+ 0 0 76 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.893 105.4 52.1 -52.1 -47.2 18.3 49.1 13.0 45 48 A A H X S+ 0 0 60 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.926 113.3 44.1 -58.0 -45.1 17.4 45.5 11.8 46 49 A K H X S+ 0 0 74 -4,-1.8 4,-2.5 2,-0.2 -1,-0.2 0.865 112.1 52.6 -70.9 -37.7 15.2 46.9 9.0 47 50 A A H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.883 109.2 49.3 -65.4 -38.3 17.9 49.5 8.0 48 51 A N H X S+ 0 0 81 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.882 110.5 51.5 -65.6 -42.1 20.6 46.8 7.7 49 52 A Q H X S+ 0 0 98 -4,-2.0 4,-2.5 -5,-0.2 -2,-0.2 0.946 111.7 46.5 -59.3 -46.9 18.2 44.7 5.6 50 53 A A H X S+ 0 0 0 -4,-2.5 4,-2.9 2,-0.2 -2,-0.2 0.932 110.1 53.6 -61.6 -45.0 17.6 47.8 3.3 51 54 A A H X S+ 0 0 31 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.919 112.6 43.7 -56.5 -45.1 21.4 48.5 3.1 52 55 A V H X S+ 0 0 82 -4,-2.1 4,-2.7 2,-0.2 -1,-0.2 0.887 111.3 53.4 -69.0 -40.9 22.1 44.9 2.0 53 56 A T H X S+ 0 0 39 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.913 110.0 49.4 -58.5 -42.2 19.1 44.9 -0.4 54 57 A I H X S+ 0 0 2 -4,-2.9 4,-2.8 2,-0.2 -2,-0.2 0.925 110.2 49.6 -62.5 -45.4 20.5 48.1 -2.0 55 58 A S H X S+ 0 0 59 -4,-2.2 4,-1.6 1,-0.2 -2,-0.2 0.934 110.6 50.4 -59.8 -46.9 24.0 46.6 -2.3 56 59 A K H < S+ 0 0 138 -4,-2.7 3,-0.2 2,-0.2 -1,-0.2 0.913 112.8 46.9 -55.0 -45.2 22.6 43.4 -4.0 57 60 A L H >< S+ 0 0 43 -4,-2.3 3,-1.5 1,-0.2 -2,-0.2 0.929 110.5 51.3 -65.2 -44.1 20.6 45.6 -6.5 58 61 A R H 3< S+ 0 0 111 -4,-2.8 3,-0.3 1,-0.3 -1,-0.2 0.758 113.1 45.6 -66.2 -25.3 23.6 47.8 -7.3 59 62 A H T 3< S+ 0 0 155 -4,-1.6 -1,-0.3 -3,-0.2 -2,-0.2 0.291 100.0 73.4 -97.4 9.2 25.8 44.7 -8.0 60 63 A S S < S- 0 0 83 -3,-1.5 -1,-0.2 -4,-0.2 -2,-0.1 -0.124 114.5 -95.6-117.3 29.6 23.1 42.9 -10.1 61 64 A N - 0 0 156 -3,-0.3 -3,-0.1 1,-0.1 -2,-0.1 0.963 58.0-165.7 51.6 61.6 23.1 44.9 -13.4 62 65 A P - 0 0 38 0, 0.0 -1,-0.1 0, 0.0 5,-0.1 -0.190 32.2 -73.9 -72.3 166.8 20.2 47.2 -12.3 63 66 A P > - 0 0 66 0, 0.0 3,-1.7 0, 0.0 4,-0.2 -0.335 42.2-122.2 -57.2 143.2 18.3 49.4 -14.7 64 67 A A G > S+ 0 0 94 1,-0.3 3,-1.9 2,-0.2 4,-0.3 0.882 110.8 62.4 -58.5 -35.8 20.4 52.5 -15.7 65 68 A A G 3 S+ 0 0 82 1,-0.3 -1,-0.3 2,-0.1 3,-0.2 0.669 96.2 58.7 -66.8 -16.2 17.6 54.7 -14.4 66 69 A W G <> S+ 0 0 50 -3,-1.7 4,-2.6 1,-0.2 -1,-0.3 0.411 77.8 95.1 -91.1 3.0 18.1 53.4 -10.9 67 70 A K H <> S+ 0 0 161 -3,-1.9 4,-1.9 -4,-0.2 5,-0.2 0.957 91.5 36.2 -60.5 -54.6 21.7 54.4 -10.7 68 71 A G H > S+ 0 0 36 -4,-0.3 4,-2.7 -3,-0.2 5,-0.3 0.945 117.8 51.2 -60.5 -53.9 21.0 57.7 -8.9 69 72 A P H > S+ 0 0 24 0, 0.0 4,-2.7 0, 0.0 -2,-0.2 0.910 113.4 45.2 -48.7 -46.7 18.1 56.4 -6.8 70 73 A L H X S+ 0 0 1 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.863 112.3 50.3 -72.6 -34.9 20.2 53.5 -5.5 71 74 A K H X S+ 0 0 128 -4,-1.9 4,-1.9 -5,-0.3 -1,-0.2 0.911 114.8 44.2 -65.5 -42.5 23.3 55.5 -4.8 72 75 A N H X S+ 0 0 75 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.868 111.8 52.4 -73.4 -35.9 21.3 58.1 -2.9 73 76 A b H X S+ 0 0 0 -4,-2.7 4,-2.6 -5,-0.3 5,-0.2 0.921 108.1 52.4 -59.5 -44.2 19.4 55.3 -1.0 74 77 A A H X S+ 0 0 27 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.913 111.9 46.3 -57.2 -42.5 22.7 53.7 -0.1 75 78 A F H X S+ 0 0 138 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.926 109.8 54.3 -65.5 -45.1 23.7 57.1 1.3 76 79 A S H X S+ 0 0 7 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.910 112.7 42.1 -51.4 -52.0 20.4 57.5 3.1 77 80 A Y H X S+ 0 0 1 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.807 109.2 57.9 -72.6 -30.2 20.8 54.2 4.9 78 81 A K H X S+ 0 0 136 -4,-2.1 4,-2.5 -5,-0.2 5,-0.3 0.882 107.1 49.4 -63.7 -39.8 24.5 54.8 5.7 79 82 A V H X>S+ 0 0 41 -4,-2.2 4,-2.2 2,-0.2 5,-2.0 0.950 112.8 47.6 -60.5 -49.2 23.4 58.0 7.5 80 83 A I H <>S+ 0 0 0 -4,-1.9 5,-2.7 3,-0.2 -2,-0.2 0.936 119.0 39.0 -55.6 -50.4 20.7 56.0 9.5 81 84 A L H <5S+ 0 0 38 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.800 125.4 33.1 -77.7 -32.9 23.2 53.2 10.4 82 85 A T H <5S+ 0 0 92 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.654 136.5 10.4 -98.9 -18.2 26.3 55.2 11.1 83 86 A A T X5S+ 0 0 47 -4,-2.2 4,-2.4 -5,-0.3 -3,-0.2 0.690 120.7 46.6-125.6 -68.2 24.8 58.4 12.6 84 87 A S H > S+ 0 0 56 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.918 112.0 52.2 -58.6 -35.7 24.1 55.2 17.1 87 90 A E H X S+ 0 0 73 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.931 109.8 47.8 -60.5 -50.2 23.3 58.8 18.2 88 91 A A H X S+ 0 0 0 -4,-2.0 4,-2.7 2,-0.2 5,-0.3 0.900 112.1 49.8 -58.4 -45.0 19.9 57.7 19.5 89 92 A I H X S+ 0 0 46 -4,-2.6 4,-2.3 1,-0.2 5,-0.2 0.952 114.2 43.8 -63.2 -46.9 21.4 54.7 21.4 90 93 A E H X S+ 0 0 119 -4,-2.4 4,-2.8 -5,-0.2 5,-0.4 0.932 115.5 48.0 -64.1 -42.9 24.1 56.8 23.1 91 94 A A H X S+ 0 0 7 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.916 114.1 45.9 -67.1 -43.9 21.7 59.6 23.9 92 95 A L H < S+ 0 0 14 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.894 117.6 45.2 -63.1 -38.4 19.1 57.3 25.4 93 96 A T H < S- 0 0 91 -4,-2.3 -2,-0.2 -5,-0.3 -1,-0.2 0.924 137.8 -4.4 -75.7 -47.4 21.7 55.3 27.4 94 97 A K H < S+ 0 0 166 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.2 0.284 120.5 29.6-136.6 14.6 23.8 58.1 28.9 95 98 A G S < S- 0 0 51 -4,-1.9 -4,-0.1 -5,-0.4 3,-0.0 -0.353 94.2 -23.7-145.2-140.4 22.7 61.5 27.7 96 99 A D >> - 0 0 77 1,-0.1 3,-1.6 -2,-0.1 4,-0.5 -0.757 39.1-150.2 -96.4 117.6 20.0 63.8 26.4 97 100 A P H 3> S+ 0 0 28 0, 0.0 4,-2.1 0, 0.0 3,-0.5 0.672 88.9 79.7 -63.0 -19.3 17.0 62.1 24.8 98 101 A K H 3> S+ 0 0 97 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.894 91.5 54.4 -48.5 -40.6 16.4 65.2 22.5 99 102 A F H <> S+ 0 0 89 -3,-1.6 4,-1.8 1,-0.2 -1,-0.2 0.809 104.7 52.2 -68.8 -30.2 19.2 63.7 20.4 100 103 A A H X S+ 0 0 0 -4,-0.5 4,-2.1 -3,-0.5 -1,-0.2 0.877 107.5 52.3 -69.4 -39.7 17.4 60.4 20.1 101 104 A E H X S+ 0 0 8 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.936 108.6 51.1 -57.7 -44.9 14.3 62.2 19.0 102 105 A D H X S+ 0 0 61 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.880 108.0 53.0 -58.3 -43.8 16.5 63.9 16.3 103 106 A G H X S+ 0 0 1 -4,-1.8 4,-2.3 1,-0.2 -1,-0.2 0.867 110.2 46.3 -59.3 -41.0 17.8 60.5 15.3 104 107 A M H X S+ 0 0 1 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.808 110.9 51.7 -72.4 -35.5 14.3 59.1 14.8 105 108 A V H X S+ 0 0 62 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.919 112.0 50.2 -64.4 -43.2 13.2 62.2 12.8 106 109 A G H X S+ 0 0 21 -4,-2.4 4,-2.4 -5,-0.2 -2,-0.2 0.937 111.9 44.0 -59.6 -51.0 16.3 61.6 10.7 107 110 A S H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 5,-0.2 0.876 112.6 53.0 -67.2 -35.3 15.6 58.0 10.0 108 111 A S H X S+ 0 0 10 -4,-2.1 4,-1.6 1,-0.2 -1,-0.2 0.951 114.4 41.6 -63.3 -46.3 11.9 58.6 9.3 109 112 A G H X S+ 0 0 35 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.834 113.3 53.4 -68.6 -36.3 12.8 61.3 6.7 110 113 A D H X S+ 0 0 42 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.856 108.5 48.4 -71.4 -37.9 15.7 59.4 5.2 111 114 A A H X S+ 0 0 1 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.882 113.7 47.8 -67.8 -38.7 13.6 56.2 4.5 112 115 A Q H X S+ 0 0 76 -4,-1.6 4,-2.4 -5,-0.2 -2,-0.2 0.907 108.9 54.6 -65.9 -42.5 10.9 58.4 3.0 113 116 A E H X S+ 0 0 95 -4,-2.4 4,-0.8 2,-0.2 -2,-0.2 0.925 108.5 48.1 -56.2 -45.6 13.5 60.2 0.9 114 117 A b H >< S+ 0 0 0 -4,-2.0 3,-1.0 1,-0.2 4,-0.5 0.925 111.5 50.3 -62.6 -45.6 14.7 56.9 -0.6 115 118 A E H >< S+ 0 0 41 -4,-2.0 3,-1.4 1,-0.3 -1,-0.2 0.906 105.5 56.5 -60.3 -40.4 11.2 55.8 -1.4 116 119 A E H >< S+ 0 0 107 -4,-2.4 3,-1.5 1,-0.3 -1,-0.3 0.669 88.8 74.9 -73.1 -13.3 10.4 59.0 -3.1 117 120 A Y T << S+ 0 0 79 -3,-1.0 -1,-0.3 -4,-0.8 -2,-0.2 0.787 95.8 52.6 -63.6 -26.4 13.3 58.6 -5.6 118 121 A F T X S+ 0 0 5 -3,-1.4 3,-2.3 -4,-0.5 -1,-0.3 0.262 79.5 144.1 -93.8 11.8 11.3 55.9 -7.3 119 122 A K T < + 0 0 189 -3,-1.5 3,-0.1 1,-0.3 -3,-0.0 -0.188 68.4 23.5 -56.9 141.9 8.2 58.1 -7.8 120 123 A G T 3 S+ 0 0 89 1,-0.2 -1,-0.3 3,-0.0 2,-0.2 0.213 124.9 56.8 82.7 -13.1 6.3 57.5 -11.0 121 124 A S S < S- 0 0 74 -3,-2.3 2,-0.3 1,-0.0 -1,-0.2 -0.736 100.6 -64.0-137.2-179.4 7.8 54.0 -11.2 122 125 A K - 0 0 165 -2,-0.2 -1,-0.0 -3,-0.1 -3,-0.0 -0.547 40.2-145.6 -69.3 134.1 8.1 50.7 -9.2 123 126 A S > - 0 0 18 -2,-0.3 3,-1.2 1,-0.1 4,-0.2 -0.918 9.2-150.1 -99.9 114.2 10.0 51.0 -6.0 124 127 A P T 3 S+ 0 0 41 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.668 90.5 24.0 -68.0 -19.3 12.0 47.7 -5.5 125 128 A F T 3> S+ 0 0 12 1,-0.1 4,-1.9 2,-0.1 5,-0.2 -0.307 78.7 142.9-134.7 49.2 12.0 47.6 -1.7 126 129 A S H <> + 0 0 37 -3,-1.2 4,-2.6 1,-0.2 5,-0.2 0.917 68.6 52.3 -58.8 -47.6 9.0 49.7 -1.0 127 130 A A H > S+ 0 0 78 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.853 108.9 52.2 -62.3 -36.2 7.7 47.8 2.0 128 131 A L H > S+ 0 0 14 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.919 109.7 46.7 -66.9 -44.5 11.1 47.9 3.7 129 132 A N H X S+ 0 0 2 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.900 113.5 50.5 -62.6 -41.4 11.4 51.8 3.3 130 133 A I H X S+ 0 0 72 -4,-2.6 4,-3.0 2,-0.2 -2,-0.2 0.920 109.1 51.8 -62.7 -43.3 7.8 52.0 4.7 131 134 A A H X S+ 0 0 22 -4,-2.4 4,-2.7 2,-0.2 5,-0.3 0.917 110.6 47.0 -58.3 -47.2 8.8 49.7 7.6 132 135 A V H X S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.913 114.6 47.9 -63.9 -41.8 11.7 51.9 8.5 133 136 A H H X S+ 0 0 38 -4,-2.3 4,-1.9 -5,-0.2 -2,-0.2 0.921 114.6 44.4 -62.9 -47.7 9.6 55.1 8.2 134 137 A E H X S+ 0 0 86 -4,-3.0 4,-1.8 2,-0.2 -2,-0.2 0.924 114.0 48.7 -67.6 -43.1 6.7 53.7 10.3 135 138 A L H X S+ 0 0 10 -4,-2.7 4,-2.5 -5,-0.2 -1,-0.2 0.868 110.1 53.1 -64.2 -39.1 9.0 52.2 13.0 136 139 A S H X S+ 0 0 0 -4,-2.0 4,-2.4 -5,-0.3 -1,-0.2 0.893 108.1 49.9 -59.5 -43.1 10.9 55.5 13.2 137 140 A D H X S+ 0 0 48 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.836 110.9 49.7 -65.1 -34.5 7.6 57.5 13.8 138 141 A V H X S+ 0 0 0 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.933 112.4 48.5 -65.8 -47.6 6.7 55.0 16.5 139 142 A G H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 5,-0.2 0.881 107.4 54.7 -59.7 -40.5 10.1 55.5 18.1 140 143 A R H X S+ 0 0 97 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.943 109.6 47.5 -59.9 -44.5 9.8 59.2 17.9 141 144 A A H X S+ 0 0 19 -4,-1.7 4,-0.5 2,-0.2 -2,-0.2 0.874 111.3 50.6 -62.7 -41.6 6.5 59.0 19.8 142 145 A I H >< S+ 0 0 0 -4,-2.3 3,-1.4 1,-0.2 4,-0.3 0.941 111.0 48.3 -62.0 -45.1 8.0 56.7 22.5 143 146 A V H >< S+ 0 0 1 -4,-2.6 3,-2.3 1,-0.3 4,-0.4 0.813 95.7 72.5 -68.1 -30.2 11.1 59.1 23.0 144 147 A R H >< S+ 0 0 125 -4,-1.8 3,-1.0 1,-0.3 -1,-0.3 0.771 86.9 66.8 -55.4 -25.7 8.7 62.1 23.3 145 148 A N T << S+ 0 0 93 -3,-1.4 -1,-0.3 -4,-0.5 -2,-0.2 0.735 100.0 49.3 -63.6 -25.3 7.7 60.6 26.7 146 149 A L T < 0 0 48 -3,-2.3 -1,-0.2 -4,-0.3 -2,-0.2 0.476 360.0 360.0 -92.3 -6.3 11.3 61.4 28.0 147 150 A L < 0 0 104 -3,-1.0 -2,-0.2 -4,-0.4 -3,-0.1 0.928 360.0 360.0 -96.4 360.0 11.3 65.0 26.7