==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PROTEIN BINDING 19-AUG-04 1X8Z . COMPND 2 MOLECULE: INVERTASE/PECTIN METHYLESTERASE INHIBITOR FAMILY . SOURCE 2 ORGANISM_SCIENTIFIC: ARABIDOPSIS THALIANA; . AUTHOR M.HOTHORN,S.WOLF,P.ALOY,S.GREINER,K.SCHEFFZEK . 448 3 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22889.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 381 85.0 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 . 13 2.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 53 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 308 68.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.9 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 2 1 1 0 0 2 1 0 0 0 0 0 1 2 0 2 0 2 0 0 1 0 2 1 1 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 -1 A M 0 0 79 0, 0.0 2,-0.1 0, 0.0 28,-0.1 0.000 360.0 360.0 360.0 145.3 0.8 -3.5 167.0 2 0 A D > - 0 0 98 1,-0.2 4,-2.8 4,-0.0 5,-0.2 -0.324 360.0-146.5 -56.0 118.6 -0.2 -4.5 170.6 3 1 A S H > S+ 0 0 98 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.795 99.6 57.1 -56.9 -26.4 2.9 -5.3 172.5 4 2 A S H > S+ 0 0 76 2,-0.2 4,-2.7 1,-0.1 3,-0.4 0.991 109.2 37.7 -66.3 -67.0 0.7 -7.9 174.2 5 3 A E H > S+ 0 0 93 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.874 113.3 60.0 -54.5 -41.6 -0.5 -9.9 171.1 6 4 A M H X S+ 0 0 4 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.906 112.2 37.8 -56.3 -43.7 3.0 -9.5 169.6 7 5 A S H X S+ 0 0 45 -4,-1.4 4,-2.2 -3,-0.4 -1,-0.2 0.844 110.8 60.7 -76.5 -32.8 4.5 -11.3 172.6 8 6 A T H < S+ 0 0 77 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.784 113.9 38.4 -62.8 -26.4 1.6 -13.7 172.7 9 7 A I H >< S+ 0 0 71 -4,-1.8 3,-0.9 -5,-0.2 -2,-0.2 0.908 116.9 44.7 -90.3 -52.9 2.5 -14.7 169.2 10 8 A a H >< S+ 0 0 0 -4,-2.4 3,-2.1 1,-0.3 5,-0.3 0.811 99.1 72.3 -64.2 -30.0 6.3 -14.8 169.2 11 9 A D T 3< S+ 0 0 112 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.1 0.175 98.9 51.2 -72.3 22.5 6.4 -16.6 172.6 12 10 A K T < S+ 0 0 160 -3,-0.9 2,-0.3 4,-0.0 -1,-0.3 0.308 92.0 89.8-136.5 -0.0 5.2 -19.6 170.7 13 11 A T S < S- 0 0 59 -3,-2.1 -3,-0.0 -4,-0.1 6,-0.0 -0.708 85.6-114.5-101.3 154.7 7.8 -19.7 167.9 14 12 A L S S+ 0 0 181 -2,-0.3 -3,-0.1 1,-0.3 -1,-0.1 0.259 113.3 33.5 -70.0 16.9 11.1 -21.5 167.9 15 13 A N > + 0 0 76 -5,-0.3 4,-1.9 2,-0.0 3,-0.5 -0.176 63.0 176.2-171.6 67.6 12.7 -18.1 167.7 16 14 A P H > S+ 0 0 51 0, 0.0 4,-3.3 0, 0.0 5,-0.3 0.814 81.5 59.3 -43.9 -45.9 10.9 -15.2 169.5 17 15 A S H > S+ 0 0 86 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.955 109.2 42.0 -52.3 -56.9 13.7 -12.7 168.7 18 16 A F H > S+ 0 0 135 -3,-0.5 4,-2.7 1,-0.2 -1,-0.2 0.949 116.8 47.9 -55.2 -55.3 13.3 -13.1 165.0 19 17 A a H X S+ 0 0 16 -4,-1.9 4,-2.7 1,-0.2 5,-0.2 0.881 113.3 48.1 -53.2 -46.2 9.5 -13.2 165.1 20 18 A L H X S+ 0 0 53 -4,-3.3 4,-2.2 -5,-0.2 -1,-0.2 0.888 112.1 48.5 -64.9 -41.3 9.4 -10.1 167.3 21 19 A K H X S+ 0 0 151 -4,-2.6 4,-1.7 -5,-0.3 -2,-0.2 0.890 113.7 48.9 -66.1 -37.9 11.9 -8.2 165.1 22 20 A F H X S+ 0 0 100 -4,-2.7 4,-2.7 -5,-0.2 -2,-0.2 0.966 114.1 42.0 -66.0 -54.7 9.9 -9.1 162.0 23 21 A L H X S+ 0 0 26 -4,-2.7 4,-2.9 1,-0.2 -2,-0.2 0.872 114.3 52.0 -62.3 -38.3 6.4 -8.2 163.3 24 22 A N H < S+ 0 0 83 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.868 112.7 45.9 -65.1 -38.6 7.7 -4.9 164.9 25 23 A T H >< S+ 0 0 91 -4,-1.7 3,-0.5 -5,-0.2 -2,-0.2 0.916 117.1 45.0 -68.6 -44.7 9.3 -4.0 161.6 26 24 A K H 3< S+ 0 0 128 -4,-2.7 2,-0.3 1,-0.2 -2,-0.2 0.830 124.3 29.2 -70.3 -36.3 6.2 -4.9 159.7 27 25 A F T 3< S+ 0 0 123 -4,-2.9 -1,-0.2 -5,-0.2 2,-0.2 -0.570 83.4 162.8-128.8 71.0 3.6 -3.3 161.9 28 26 A A < - 0 0 68 -3,-0.5 3,-0.1 -2,-0.3 -3,-0.1 -0.559 47.9 -94.1 -92.3 153.0 5.3 -0.3 163.5 29 27 A S - 0 0 107 -2,-0.2 -1,-0.1 1,-0.1 -2,-0.0 -0.429 56.0-101.8 -62.2 130.7 3.7 2.7 165.3 30 28 A P - 0 0 80 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.146 31.0-133.1 -56.3 147.5 3.4 5.5 162.7 31 29 A N > - 0 0 72 211,-0.2 4,-2.1 -3,-0.1 5,-0.2 -0.560 29.4 -99.1 -97.5 166.9 5.8 8.4 162.6 32 30 A L H > S+ 0 0 59 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.883 120.6 50.9 -53.8 -47.1 4.9 12.1 162.4 33 31 A Q H > S+ 0 0 20 1,-0.2 4,-3.6 2,-0.2 5,-0.2 0.966 110.9 49.9 -54.1 -56.0 5.5 12.4 158.6 34 32 A A H > S+ 0 0 22 208,-0.7 4,-2.1 1,-0.2 -1,-0.2 0.852 110.3 49.9 -52.1 -40.7 3.3 9.4 157.9 35 33 A L H X S+ 0 0 71 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.916 115.1 43.7 -66.8 -41.2 0.5 10.7 160.1 36 34 A A H X S+ 0 0 0 -4,-2.4 4,-2.7 -5,-0.2 5,-0.2 0.925 111.6 53.7 -68.1 -45.4 0.6 14.0 158.3 37 35 A K H X S+ 0 0 23 -4,-3.6 4,-1.8 204,-0.3 -2,-0.2 0.880 110.7 46.6 -58.4 -41.6 0.9 12.4 154.8 38 36 A T H X S+ 0 0 88 -4,-2.1 4,-2.4 -5,-0.2 3,-0.3 0.985 111.2 51.4 -64.7 -55.0 -2.2 10.3 155.5 39 37 A T H X S+ 0 0 18 -4,-2.2 4,-2.2 1,-0.3 -2,-0.2 0.875 110.7 48.3 -50.0 -44.6 -4.2 13.3 156.8 40 38 A L H X S+ 0 0 0 -4,-2.7 4,-3.2 2,-0.2 5,-0.3 0.887 107.8 55.3 -65.7 -37.2 -3.3 15.4 153.7 41 39 A D H X S+ 0 0 64 -4,-1.8 4,-2.8 -3,-0.3 5,-0.2 0.968 109.7 47.2 -58.6 -50.1 -4.3 12.6 151.4 42 40 A S H X S+ 0 0 59 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.913 114.3 46.2 -57.0 -45.4 -7.7 12.4 153.0 43 41 A T H X S+ 0 0 1 -4,-2.2 4,-2.7 -5,-0.2 5,-0.2 0.926 112.3 49.7 -65.8 -43.9 -8.2 16.2 152.8 44 42 A Q H X S+ 0 0 45 -4,-3.2 4,-2.6 2,-0.2 -2,-0.2 0.932 112.9 47.8 -61.9 -42.4 -7.0 16.4 149.2 45 43 A A H X S+ 0 0 46 -4,-2.8 4,-2.3 -5,-0.3 -2,-0.2 0.977 112.7 47.9 -58.1 -58.5 -9.4 13.6 148.2 46 44 A R H X S+ 0 0 86 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.877 112.6 49.0 -50.2 -46.6 -12.3 15.1 150.0 47 45 A A H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.931 108.9 52.1 -61.3 -50.1 -11.6 18.6 148.5 48 46 A T H X S+ 0 0 63 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.897 109.6 50.3 -54.0 -43.6 -11.4 17.2 145.0 49 47 A Q H X S+ 0 0 96 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.941 109.9 50.4 -60.4 -48.2 -14.7 15.5 145.5 50 48 A T H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.899 109.8 50.3 -59.0 -40.8 -16.3 18.7 146.7 51 49 A L H X S+ 0 0 34 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.907 109.3 50.4 -66.3 -40.5 -15.0 20.6 143.7 52 50 A K H X S+ 0 0 158 -4,-2.2 4,-1.5 1,-0.2 -1,-0.2 0.877 114.6 45.4 -64.4 -35.4 -16.3 18.0 141.2 53 51 A K H X S+ 0 0 77 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.835 109.0 53.4 -78.8 -32.2 -19.7 18.2 142.9 54 52 A L H X S+ 0 0 0 -4,-2.5 4,-1.9 -5,-0.2 5,-0.2 0.960 110.0 48.7 -65.1 -47.1 -19.9 22.0 143.1 55 53 A Q H X S+ 0 0 66 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.900 111.9 51.9 -55.7 -42.3 -19.2 22.2 139.4 56 54 A S H X S+ 0 0 65 -4,-1.5 4,-2.1 2,-0.2 5,-0.2 0.961 106.0 49.7 -58.9 -58.5 -21.9 19.6 138.9 57 55 A I H < S+ 0 0 28 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.854 116.7 45.8 -48.5 -39.0 -24.7 21.3 140.9 58 56 A I H >< S+ 0 0 10 -4,-1.9 3,-1.1 -5,-0.2 -1,-0.2 0.860 107.7 55.4 -74.7 -39.8 -23.8 24.5 138.9 59 57 A D H 3< S+ 0 0 126 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.825 104.8 53.2 -66.6 -30.8 -23.7 22.8 135.5 60 58 A G T 3< S- 0 0 72 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.510 119.7-105.7 -83.5 -2.4 -27.1 21.4 135.8 61 59 A G < - 0 0 45 -3,-1.1 2,-0.3 -5,-0.2 -1,-0.1 0.324 40.8-173.2 89.3 139.9 -28.6 24.8 136.6 62 60 A V - 0 0 44 -4,-0.2 -1,-0.1 -3,-0.1 5,-0.0 -0.954 42.6 -67.9-158.1 159.1 -29.8 26.4 139.8 63 61 A D >> - 0 0 81 -2,-0.3 4,-2.3 1,-0.1 3,-0.7 -0.178 52.3-106.8 -54.9 143.2 -31.5 29.7 140.7 64 62 A P H 3> S+ 0 0 116 0, 0.0 4,-1.1 0, 0.0 5,-0.1 0.814 119.1 54.9 -37.5 -42.8 -29.4 32.9 140.2 65 63 A R H 3> S+ 0 0 112 2,-0.2 4,-1.7 1,-0.2 3,-0.2 0.931 112.0 38.9 -62.7 -50.3 -29.1 33.1 144.0 66 64 A S H <> S+ 0 0 12 -3,-0.7 4,-3.4 1,-0.2 5,-0.3 0.946 109.8 60.2 -66.0 -48.4 -27.7 29.6 144.7 67 65 A K H X S+ 0 0 49 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.791 106.7 49.4 -50.6 -30.5 -25.5 29.7 141.6 68 66 A L H X S+ 0 0 117 -4,-1.1 4,-1.8 -5,-0.3 -1,-0.2 0.941 110.9 46.9 -76.5 -47.4 -23.8 32.7 143.1 69 67 A A H X S+ 0 0 10 -4,-1.7 4,-1.9 1,-0.2 -2,-0.2 0.956 117.5 44.2 -57.5 -50.6 -23.2 31.2 146.5 70 68 A Y H X S+ 0 0 11 -4,-3.4 4,-2.9 1,-0.2 -1,-0.2 0.906 107.7 56.0 -62.7 -44.8 -21.9 28.0 144.9 71 69 A R H X S+ 0 0 131 -4,-2.1 4,-1.9 -5,-0.3 -1,-0.2 0.876 106.7 54.7 -55.1 -33.3 -19.7 29.7 142.3 72 70 A S H X S+ 0 0 40 -4,-1.8 4,-2.4 2,-0.2 3,-0.3 0.978 106.9 48.2 -61.9 -55.1 -18.2 31.4 145.4 73 71 A b H X S+ 0 0 0 -4,-1.9 4,-3.3 1,-0.2 5,-0.2 0.893 106.4 58.4 -52.2 -43.8 -17.5 27.9 146.9 74 72 A V H X S+ 0 0 9 -4,-2.9 4,-2.6 1,-0.2 -1,-0.2 0.941 108.8 44.1 -52.7 -49.4 -15.9 26.8 143.6 75 73 A D H X S+ 0 0 101 -4,-1.9 4,-1.6 -3,-0.3 -1,-0.2 0.909 112.8 52.3 -63.5 -41.3 -13.4 29.7 143.8 76 74 A E H X S+ 0 0 55 -4,-2.4 4,-2.4 1,-0.2 3,-0.2 0.957 112.5 44.9 -59.0 -49.9 -12.8 29.0 147.4 77 75 A Y H X S+ 0 0 1 -4,-3.3 4,-3.5 1,-0.2 5,-0.2 0.871 104.7 59.4 -64.1 -40.5 -12.1 25.3 146.8 78 76 A E H X S+ 0 0 97 -4,-2.6 4,-1.9 -5,-0.2 -1,-0.2 0.907 111.9 43.3 -56.0 -38.4 -9.8 25.8 143.7 79 77 A S H X S+ 0 0 73 -4,-1.6 4,-3.1 -3,-0.2 5,-0.2 0.937 111.5 54.3 -68.7 -47.7 -7.6 27.9 146.1 80 78 A A H X S+ 0 0 4 -4,-2.4 4,-2.9 2,-0.2 5,-0.2 0.928 107.6 50.0 -51.1 -50.1 -8.0 25.3 148.8 81 79 A I H X S+ 0 0 28 -4,-3.5 4,-2.6 1,-0.2 -1,-0.2 0.957 111.8 48.2 -55.3 -53.5 -6.8 22.5 146.4 82 80 A G H X S+ 0 0 20 -4,-1.9 4,-2.3 -5,-0.2 -1,-0.2 0.901 111.4 49.3 -53.6 -47.7 -3.8 24.5 145.4 83 81 A N H X S+ 0 0 36 -4,-3.1 4,-2.8 1,-0.2 -1,-0.2 0.925 110.7 50.9 -58.4 -45.9 -2.9 25.3 149.0 84 82 A L H X S+ 0 0 1 -4,-2.9 4,-2.1 -5,-0.2 -2,-0.2 0.902 108.3 52.4 -60.9 -39.8 -3.2 21.6 150.0 85 83 A E H X S+ 0 0 105 -4,-2.6 4,-2.0 -5,-0.2 -1,-0.2 0.951 111.3 45.9 -60.9 -47.2 -0.9 20.7 147.1 86 84 A E H X S+ 0 0 85 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.922 109.3 55.6 -61.1 -43.3 1.7 23.1 148.2 87 85 A A H X S+ 0 0 0 -4,-2.8 4,-2.9 1,-0.2 -1,-0.2 0.886 105.3 53.3 -56.4 -38.9 1.3 21.9 151.8 88 86 A F H X S+ 0 0 26 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.936 106.0 51.8 -63.7 -44.7 2.0 18.4 150.5 89 87 A E H X S+ 0 0 91 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.957 111.6 48.5 -56.4 -48.1 5.3 19.6 148.9 90 88 A H H X>S+ 0 0 36 -4,-2.7 5,-2.6 2,-0.2 4,-0.8 0.930 107.6 52.6 -57.7 -47.9 6.3 21.1 152.2 91 89 A L H ><5S+ 0 0 0 -4,-2.9 3,-1.1 1,-0.2 -1,-0.2 0.922 110.3 50.7 -53.3 -42.0 5.5 18.0 154.2 92 90 A A H 3<5S+ 0 0 0 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.912 109.9 48.6 -62.3 -43.9 7.7 16.2 151.7 93 91 A S H 3<5S- 0 0 22 -4,-2.4 90,-0.5 -5,-0.2 -1,-0.3 0.522 116.5-116.7 -75.3 -1.9 10.4 18.7 152.3 94 92 A G T <<5 + 0 0 8 -3,-1.1 2,-1.2 -4,-0.8 -3,-0.2 0.716 67.7 145.2 73.6 21.0 10.0 18.3 156.0 95 93 A D >< + 0 0 40 -5,-2.6 4,-3.0 1,-0.2 5,-0.2 -0.648 17.1 168.9 -93.7 77.5 8.9 22.0 156.3 96 94 A G H > S+ 0 0 2 -2,-1.2 4,-2.4 53,-0.3 -1,-0.2 0.815 78.1 56.0 -59.9 -30.6 6.3 21.8 159.1 97 95 A M H > S+ 0 0 19 2,-0.2 4,-2.2 -3,-0.2 -1,-0.2 0.995 111.1 41.2 -63.7 -62.6 6.3 25.6 159.2 98 96 A G H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.907 114.8 53.4 -50.8 -46.4 5.5 26.0 155.5 99 97 A M H X S+ 0 0 0 -4,-3.0 4,-2.9 1,-0.2 5,-0.3 0.928 106.6 51.8 -56.2 -48.0 3.0 23.1 155.7 100 98 A N H X S+ 0 0 30 -4,-2.4 4,-2.2 -5,-0.2 -1,-0.2 0.923 108.1 51.4 -57.3 -46.2 1.2 24.8 158.6 101 99 A M H X S+ 0 0 14 -4,-2.2 4,-1.9 1,-0.2 3,-0.2 0.981 113.4 45.1 -53.0 -61.4 0.8 28.1 156.7 102 100 A K H X S+ 0 0 30 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.881 111.4 49.7 -51.1 -50.5 -0.7 26.3 153.7 103 101 A V H X S+ 0 0 1 -4,-2.9 4,-2.9 1,-0.2 -1,-0.2 0.906 107.5 55.5 -60.4 -39.1 -3.1 24.1 155.5 104 102 A S H X S+ 0 0 38 -4,-2.2 4,-2.6 -5,-0.3 -1,-0.2 0.943 105.7 52.9 -55.4 -48.6 -4.4 27.1 157.5 105 103 A A H X S+ 0 0 30 -4,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.929 110.9 46.1 -51.6 -50.6 -5.2 28.7 154.2 106 104 A A H X S+ 0 0 0 -4,-2.1 4,-2.9 1,-0.2 -1,-0.2 0.910 107.7 57.2 -60.4 -43.9 -7.1 25.7 153.0 107 105 A L H X S+ 0 0 38 -4,-2.9 4,-3.1 2,-0.2 -1,-0.2 0.934 107.5 47.9 -54.4 -49.1 -9.0 25.5 156.3 108 106 A D H X S+ 0 0 88 -4,-2.6 4,-3.8 2,-0.2 5,-0.3 0.979 108.7 55.7 -54.6 -55.7 -10.2 29.0 155.8 109 107 A G H X S+ 0 0 5 -4,-2.4 4,-2.4 1,-0.3 -2,-0.2 0.897 110.0 44.2 -40.2 -57.8 -11.2 28.1 152.3 110 108 A A H X S+ 0 0 1 -4,-2.9 4,-1.7 1,-0.2 -1,-0.3 0.961 115.5 49.1 -53.4 -54.3 -13.3 25.2 153.6 111 109 A D H X S+ 0 0 51 -4,-3.1 4,-2.0 1,-0.2 -2,-0.2 0.870 108.6 53.8 -52.5 -44.2 -14.7 27.5 156.3 112 110 A T H X S+ 0 0 39 -4,-3.8 4,-2.9 1,-0.2 5,-0.2 0.891 103.4 54.3 -61.3 -43.4 -15.5 30.3 153.7 113 111 A b H X S+ 0 0 0 -4,-2.4 4,-0.6 -5,-0.3 -1,-0.2 0.929 106.6 54.8 -57.2 -41.2 -17.5 28.0 151.5 114 112 A L H >X S+ 0 0 24 -4,-1.7 4,-1.2 -5,-0.2 3,-1.0 0.946 111.4 42.9 -56.3 -50.2 -19.6 27.2 154.5 115 113 A D H >X S+ 0 0 71 -4,-2.0 3,-1.8 1,-0.3 4,-0.7 0.989 110.4 54.2 -58.9 -60.8 -20.3 30.9 155.2 116 114 A D H 3< S+ 0 0 54 -4,-2.9 -1,-0.3 1,-0.3 -2,-0.2 0.570 118.6 40.2 -48.6 -9.9 -20.9 31.7 151.5 117 115 A V H X< S+ 0 0 4 -3,-1.0 3,-1.0 -4,-0.6 -1,-0.3 0.547 92.1 80.1-120.5 -10.3 -23.5 28.8 151.7 118 116 A K H << S+ 0 0 122 -3,-1.8 -2,-0.1 -4,-1.2 -3,-0.1 0.917 85.9 59.7 -65.8 -45.8 -25.2 29.1 155.1 119 117 A R T 3< S+ 0 0 207 -4,-0.7 -1,-0.2 2,-0.0 2,-0.2 0.468 82.0 111.0 -64.3 0.0 -27.7 31.9 154.2 120 118 A L S < S- 0 0 19 -3,-1.0 3,-0.1 1,-0.1 -3,-0.0 -0.554 72.6-135.4 -76.5 142.8 -29.1 29.6 151.5 121 119 A R S S+ 0 0 208 1,-0.2 2,-0.3 -2,-0.2 -1,-0.1 0.748 93.6 13.8 -68.0 -23.5 -32.7 28.4 152.1 122 120 A S S S- 0 0 93 -5,-0.1 2,-0.3 2,-0.0 -1,-0.2 -0.983 72.5-174.0-152.3 143.1 -31.5 25.0 151.0 123 121 A V - 0 0 45 -2,-0.3 2,-0.8 -3,-0.1 3,-0.1 -0.956 36.6-100.8-138.4 155.6 -28.0 23.5 150.5 124 122 A D >> - 0 0 36 -2,-0.3 4,-1.4 1,-0.2 3,-1.3 -0.689 29.7-148.1 -78.4 111.8 -26.5 20.3 149.1 125 123 A S H 3> S+ 0 0 73 -2,-0.8 4,-3.1 1,-0.3 5,-0.3 0.825 93.9 67.2 -47.4 -39.7 -25.5 18.3 152.3 126 124 A S H 3> S+ 0 0 32 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.908 102.9 44.5 -49.0 -47.9 -22.6 16.8 150.4 127 125 A V H <> S+ 0 0 1 -3,-1.3 4,-1.7 2,-0.2 -1,-0.2 0.861 114.5 48.9 -68.4 -36.0 -20.9 20.2 150.2 128 126 A V H X S+ 0 0 24 -4,-1.4 4,-2.2 2,-0.2 5,-0.2 0.970 113.8 44.0 -69.8 -51.1 -21.6 21.1 153.8 129 127 A N H X S+ 0 0 83 -4,-3.1 4,-3.4 1,-0.2 5,-0.2 0.951 113.5 51.3 -57.7 -51.7 -20.4 17.8 155.3 130 128 A N H X S+ 0 0 14 -4,-2.2 4,-3.1 -5,-0.3 -1,-0.2 0.877 109.6 50.5 -54.4 -40.8 -17.3 17.8 153.1 131 129 A S H X S+ 0 0 0 -4,-1.7 4,-1.4 2,-0.2 -1,-0.2 0.886 113.9 43.3 -66.5 -39.6 -16.4 21.3 154.1 132 130 A K H X S+ 0 0 106 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.903 114.3 51.4 -71.4 -41.0 -16.8 20.5 157.9 133 131 A T H X S+ 0 0 41 -4,-3.4 4,-3.0 -5,-0.2 -2,-0.2 0.961 108.6 50.9 -59.1 -51.2 -14.9 17.3 157.4 134 132 A I H X S+ 0 0 4 -4,-3.1 4,-2.9 1,-0.2 -1,-0.2 0.838 108.8 52.4 -56.4 -33.5 -12.1 19.1 155.6 135 133 A K H X S+ 0 0 56 -4,-1.4 4,-1.8 2,-0.2 -1,-0.2 0.911 110.1 47.6 -70.0 -42.1 -11.9 21.6 158.5 136 134 A N H X S+ 0 0 119 -4,-2.3 4,-1.7 2,-0.2 3,-0.3 0.966 114.6 46.3 -61.1 -53.4 -11.6 18.8 161.0 137 135 A L H >X S+ 0 0 30 -4,-3.0 4,-2.2 1,-0.2 3,-0.7 0.964 110.7 52.0 -53.3 -55.4 -8.9 17.1 158.9 138 136 A C H 3X S+ 0 0 1 -4,-2.9 4,-2.3 1,-0.3 -1,-0.2 0.831 104.8 58.6 -51.2 -34.3 -7.0 20.3 158.4 139 137 A G H 3X S+ 0 0 27 -4,-1.8 4,-1.9 -3,-0.3 -1,-0.3 0.925 105.1 48.3 -61.5 -45.5 -7.1 20.8 162.1 140 138 A I H X S+ 0 0 83 -4,-1.9 3,-1.3 2,-0.2 4,-1.0 0.994 115.5 46.0 -57.0 -63.5 -1.3 20.1 165.1 144 142 A I H >X S+ 0 0 13 -4,-2.4 3,-1.6 1,-0.3 4,-0.9 0.904 106.3 57.9 -45.5 -55.6 1.0 17.4 163.4 145 143 A S H >< S+ 0 0 0 -4,-3.3 3,-0.8 1,-0.3 -1,-0.3 0.844 102.9 57.3 -47.9 -35.2 2.9 20.0 161.3 146 144 A N H << S+ 0 0 81 -4,-1.4 -1,-0.3 -3,-1.3 -2,-0.2 0.837 103.8 50.4 -66.4 -33.2 3.8 21.7 164.6 147 145 A M H << S+ 0 0 113 -3,-1.6 -1,-0.2 -4,-1.0 -2,-0.2 0.537 82.9 112.7 -81.6 -8.7 5.4 18.6 166.0 148 146 A L S << S- 0 0 6 -4,-0.9 2,-0.1 -3,-0.8 -57,-0.0 -0.434 87.5 -96.7 -62.6 139.4 7.5 18.2 162.9 149 147 A P - 0 0 103 0, 0.0 -53,-0.3 0, 0.0 -1,-0.1 -0.409 45.6-142.4 -60.0 132.7 11.1 18.8 163.9 150 148 A R 0 0 78 -4,-0.1 -55,-0.0 -2,-0.1 187,-0.0 -0.378 360.0 360.0 -92.8 173.6 12.0 22.4 163.1 151 149 A N 0 0 125 -2,-0.1 186,-0.0 24,-0.0 -1,-0.0 0.907 360.0 360.0 -44.3 360.0 15.3 23.9 161.8 152 !* 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 0.0 153 2 B S > 0 0 94 0, 0.0 4,-0.8 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0-165.6 26.3 35.8 150.2 154 3 B E H > + 0 0 68 1,-0.2 4,-1.0 2,-0.2 3,-0.4 0.876 360.0 61.7 -73.4 -37.7 22.7 37.1 149.8 155 4 B M H > S+ 0 0 19 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.671 94.5 65.7 -61.7 -17.7 22.4 37.0 153.6 156 5 B S H > S+ 0 0 46 -3,-0.4 4,-1.4 2,-0.2 -1,-0.2 0.960 99.4 47.2 -69.8 -51.9 25.2 39.6 153.7 157 6 B T H < S+ 0 0 78 -4,-0.8 -1,-0.2 -3,-0.4 -2,-0.2 0.747 116.5 50.0 -60.9 -22.0 23.2 42.3 152.0 158 7 B I H >< S+ 0 0 0 -4,-1.0 3,-2.2 1,-0.1 -2,-0.2 0.970 107.4 47.1 -79.7 -61.8 20.4 41.4 154.4 159 8 B c H >< S+ 0 0 1 -4,-2.8 3,-1.2 1,-0.3 -2,-0.2 0.648 99.8 71.8 -56.1 -18.2 22.2 41.4 157.8 160 9 B D T 3< S+ 0 0 120 -4,-1.4 -1,-0.3 1,-0.3 -2,-0.1 0.594 92.9 55.1 -75.2 -11.6 23.8 44.8 156.8 161 10 B K T < S+ 0 0 138 -3,-2.2 2,-0.3 -4,-0.1 -1,-0.3 0.085 93.4 103.1-105.2 19.9 20.4 46.6 157.3 162 11 B T S < S- 0 0 16 -3,-1.2 4,-0.1 1,-0.1 273,-0.1 -0.702 78.6-128.1-105.0 156.0 20.2 45.2 160.8 163 12 B L S S+ 0 0 141 1,-0.3 -1,-0.1 -2,-0.3 272,-0.1 0.887 111.9 26.8 -65.2 -38.2 20.8 46.9 164.1 164 13 B N >> + 0 0 57 271,-0.2 4,-2.3 1,-0.1 3,-1.2 -0.714 67.7 170.3-128.5 81.0 23.1 44.0 165.0 165 14 B P H 3> S+ 0 0 46 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.811 79.7 60.0 -59.9 -32.1 24.7 42.5 161.8 166 15 B S H 3> S+ 0 0 85 2,-0.2 4,-0.9 1,-0.2 -6,-0.0 0.740 111.0 41.7 -69.6 -21.7 27.1 40.4 163.8 167 16 B F H <> S+ 0 0 56 -3,-1.2 4,-1.4 2,-0.2 -1,-0.2 0.899 114.9 48.0 -86.3 -53.2 24.2 38.7 165.5 168 17 B c H >X S+ 0 0 0 -4,-2.3 4,-1.9 2,-0.2 3,-1.4 0.964 109.7 55.5 -48.4 -59.6 22.0 38.3 162.4 169 18 B L H 3X S+ 0 0 68 -4,-2.5 4,-2.1 1,-0.3 3,-0.3 0.887 111.1 41.3 -40.4 -61.1 24.9 36.9 160.5 170 19 B K H 3< S+ 0 0 164 -4,-0.9 -1,-0.3 1,-0.2 -2,-0.2 0.676 109.9 62.6 -66.6 -16.9 25.6 34.1 163.0 171 20 B F H XX S+ 0 0 24 -3,-1.4 4,-1.2 -4,-1.4 3,-0.6 0.919 111.2 33.7 -74.4 -45.6 21.9 33.5 163.4 172 21 B L H 3X S+ 0 0 0 -4,-1.9 4,-0.6 -3,-0.3 -2,-0.2 0.844 106.0 70.4 -77.6 -36.4 21.3 32.4 159.8 173 22 B N H 3< S+ 0 0 81 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.1 0.311 109.6 36.7 -66.5 11.9 24.7 30.8 159.4 174 23 B T H X> S+ 0 0 86 -3,-0.6 3,-0.6 -5,-0.1 4,-0.6 0.544 110.3 56.9-127.4 -40.9 23.4 28.1 161.7 175 24 B K H 3< S+ 0 0 41 -4,-1.2 -2,-0.2 1,-0.2 -3,-0.1 0.319 124.7 27.4 -78.0 9.2 19.8 27.9 160.6 176 25 B F T 3< S+ 0 0 49 -4,-0.6 -1,-0.2 3,-0.1 -3,-0.1 0.204 91.0 100.6-149.9 8.3 21.1 27.1 157.1 177 26 B A T <4 S+ 0 0 38 -3,-0.6 127,-0.2 1,-0.3 -2,-0.1 0.978 95.5 27.4 -61.4 -56.1 24.4 25.5 157.9 178 27 B S S < S- 0 0 63 -4,-0.6 -1,-0.3 126,-0.1 3,-0.1 -0.933 89.1-136.5-112.4 114.0 23.0 22.0 157.3 179 28 B P - 0 0 26 0, 0.0 2,-0.3 0, 0.0 -3,-0.1 -0.296 33.7 -91.2 -67.4 153.5 20.0 21.8 154.9 180 29 B N > - 0 0 62 1,-0.2 4,-2.0 -87,-0.1 5,-0.2 -0.471 27.9-142.2 -66.3 125.9 17.1 19.6 155.9 181 30 B L H > S+ 0 0 43 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.898 103.5 53.4 -56.2 -43.4 17.6 16.1 154.5 182 31 B Q H > S+ 0 0 16 1,-0.2 4,-2.3 2,-0.2 -88,-0.3 0.910 109.9 50.0 -57.1 -42.1 13.8 15.8 153.7 183 32 B A H > S+ 0 0 16 -90,-0.5 4,-1.9 2,-0.2 -1,-0.2 0.849 108.6 50.9 -64.5 -38.1 14.2 19.1 151.7 184 33 B L H X S+ 0 0 3 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.897 112.0 46.5 -69.2 -40.3 17.3 17.8 149.8 185 34 B A H X S+ 0 0 0 -4,-2.4 4,-3.3 1,-0.2 5,-0.3 0.914 109.8 55.9 -67.2 -40.5 15.5 14.7 148.7 186 35 B K H X S+ 0 0 14 -4,-2.3 4,-2.2 -5,-0.2 -2,-0.2 0.901 110.1 43.0 -58.7 -46.5 12.4 16.7 147.8 187 36 B T H X S+ 0 0 30 -4,-1.9 4,-2.4 2,-0.2 5,-0.2 0.946 114.4 51.8 -66.6 -46.7 14.2 19.0 145.4 188 37 B T H X S+ 0 0 0 -4,-2.0 4,-2.9 1,-0.2 5,-0.2 0.954 112.5 42.9 -55.6 -54.7 16.2 16.1 143.9 189 38 B L H X S+ 0 0 0 -4,-3.3 4,-3.7 1,-0.2 5,-0.3 0.928 110.1 60.5 -58.5 -40.7 13.1 13.9 143.2 190 39 B D H X S+ 0 0 59 -4,-2.2 4,-1.5 -5,-0.3 -1,-0.2 0.920 111.9 37.0 -47.7 -53.2 11.5 17.1 141.9 191 40 B S H X S+ 0 0 31 -4,-2.4 4,-2.4 2,-0.2 5,-0.3 0.859 116.4 52.5 -70.2 -38.4 14.2 17.5 139.2 192 41 B T H X S+ 0 0 0 -4,-2.9 4,-2.0 -5,-0.2 -2,-0.2 0.910 110.4 48.9 -65.3 -39.6 14.4 13.7 138.6 193 42 B Q H X S+ 0 0 42 -4,-3.7 4,-2.1 -5,-0.2 -1,-0.2 0.876 112.4 48.9 -65.6 -38.3 10.7 13.5 138.1 194 43 B A H X S+ 0 0 49 -4,-1.5 4,-2.6 -5,-0.3 -2,-0.2 0.963 111.4 45.6 -66.9 -55.0 10.7 16.5 135.7 195 44 B R H X S+ 0 0 105 -4,-2.4 4,-3.5 2,-0.2 5,-0.3 0.904 111.1 54.1 -58.1 -43.0 13.5 15.3 133.5 196 45 B A H X S+ 0 0 0 -4,-2.0 4,-2.3 -5,-0.3 -1,-0.2 0.972 109.2 48.4 -55.0 -54.8 12.1 11.8 133.3 197 46 B T H X S+ 0 0 48 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.916 113.4 47.6 -50.0 -48.5 8.8 13.3 132.1 198 47 B Q H X S+ 0 0 90 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.925 108.1 53.4 -61.2 -47.2 10.6 15.4 129.6 199 48 B T H X S+ 0 0 0 -4,-3.5 4,-2.2 1,-0.2 -1,-0.2 0.863 108.6 53.4 -56.0 -34.7 12.7 12.5 128.3 200 49 B L H X S+ 0 0 28 -4,-2.3 4,-1.7 -5,-0.3 5,-0.2 0.988 104.7 52.3 -62.8 -59.2 9.4 10.6 127.8 201 50 B K H X S+ 0 0 120 -4,-2.3 4,-1.3 1,-0.2 -1,-0.2 0.829 111.2 49.5 -44.3 -41.1 7.8 13.4 125.7 202 51 B K H >X S+ 0 0 73 -4,-2.0 4,-3.2 2,-0.2 3,-1.0 0.973 103.9 54.3 -67.6 -57.5 10.9 13.3 123.4 203 52 B L H 3X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.3 -1,-0.2 0.829 112.0 49.1 -46.1 -33.4 11.1 9.6 122.8 204 53 B Q H 3X S+ 0 0 90 -4,-1.7 4,-2.9 2,-0.2 -1,-0.3 0.815 108.4 51.3 -77.7 -31.8 7.4 10.0 121.7 205 54 B S H < S+ 0 0 27 -4,-2.2 3,-3.0 1,-0.2 -2,-0.2 0.910 115.4 53.0 -45.6 -58.2 8.7 7.9 117.2 208 57 B D H 3< S+ 0 0 146 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.926 109.2 49.5 -45.2 -52.7 5.7 10.1 116.3 209 58 B G T 3< S- 0 0 63 -4,-3.0 -1,-0.3 -5,-0.2 -2,-0.2 0.513 120.2-122.7 -67.0 -3.2 8.0 11.9 113.8 210 59 B G < - 0 0 44 -3,-3.0 2,-0.2 -4,-0.4 -2,-0.1 0.663 37.9-179.0 67.8 133.6 8.9 8.4 112.6 211 60 B V - 0 0 54 -4,-0.1 5,-0.1 1,-0.0 -1,-0.0 -0.754 47.0 -35.7-144.9-170.0 12.4 6.8 112.4 212 61 B D >> - 0 0 98 -2,-0.2 4,-3.2 1,-0.2 3,-2.8 -0.394 53.7-138.5 -56.9 116.0 14.3 3.7 111.4 213 62 B P T 34 S+ 0 0 110 0, 0.0 4,-0.5 0, 0.0 -1,-0.2 0.779 104.8 57.2 -50.9 -28.1 11.9 0.8 112.3 214 63 B R T 3> S+ 0 0 142 1,-0.2 4,-0.5 2,-0.2 -2,-0.1 0.709 114.9 38.8 -74.8 -18.6 14.9 -1.2 113.7 215 64 B S H <> S+ 0 0 11 -3,-2.8 4,-2.4 2,-0.2 -1,-0.2 0.807 99.1 73.4 -93.7 -40.1 15.5 1.8 115.9 216 65 B K H < S+ 0 0 64 -4,-3.2 -2,-0.2 1,-0.2 -1,-0.1 0.704 92.7 63.4 -47.2 -19.7 11.8 2.4 116.6 217 66 B L H >> S+ 0 0 108 -4,-0.5 3,-1.3 -5,-0.3 4,-0.6 0.994 105.2 39.4 -65.3 -70.8 12.3 -0.7 118.7 218 67 B A H >X S+ 0 0 2 -4,-0.5 3,-1.6 1,-0.3 4,-1.4 0.873 111.0 59.9 -45.4 -48.2 14.7 1.0 121.1 219 68 B Y H 3< S+ 0 0 14 -4,-2.4 -1,-0.3 1,-0.3 -12,-0.2 -0.018 113.5 37.8 -78.1 35.9 12.7 4.2 121.0 220 69 B R H <> S+ 0 0 128 -3,-1.3 4,-0.6 -2,-0.9 -1,-0.3 0.199 108.8 58.9-158.3 -4.9 9.7 2.2 122.4 221 70 B S H << S+ 0 0 28 -3,-1.6 4,-0.3 -4,-0.6 -2,-0.2 0.509 113.3 42.4-101.7 -15.4 11.5 -0.1 124.7 222 71 B d T X S+ 0 0 0 -4,-1.4 4,-2.0 -5,-0.3 5,-0.2 0.772 109.0 61.0 -92.8 -38.0 12.8 3.1 126.5 223 72 B V H > S+ 0 0 14 -5,-0.3 4,-1.0 1,-0.2 -2,-0.2 0.888 110.1 37.7 -56.4 -46.3 9.3 4.6 126.2 224 73 B D H X S+ 0 0 91 -4,-0.6 4,-1.1 1,-0.2 -1,-0.2 0.798 114.0 58.1 -79.0 -26.3 7.6 1.9 128.2 225 74 B E H > S+ 0 0 47 -4,-0.3 4,-1.5 1,-0.2 -2,-0.2 0.799 108.9 45.1 -70.2 -29.9 10.7 1.8 130.5 226 75 B Y H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.733 104.5 61.8 -84.2 -25.0 10.3 5.5 131.3 227 76 B E H X S+ 0 0 112 -4,-1.0 4,-0.6 -5,-0.2 -2,-0.2 0.840 110.4 41.9 -67.7 -30.8 6.5 5.1 131.8 228 77 B S H X S+ 0 0 58 -4,-1.1 4,-2.5 2,-0.2 3,-0.3 0.862 110.7 55.6 -82.1 -39.3 7.4 2.8 134.6 229 78 B A H X S+ 0 0 3 -4,-1.5 4,-3.0 1,-0.2 5,-0.2 0.907 105.3 52.2 -60.5 -43.4 10.3 5.0 136.0 230 79 B I H X S+ 0 0 24 -4,-2.3 4,-1.7 2,-0.2 -1,-0.2 0.798 109.5 51.4 -64.0 -28.8 8.0 8.0 136.3 231 80 B G H X S+ 0 0 27 -4,-0.6 4,-1.9 -3,-0.3 5,-0.2 0.976 111.9 44.4 -71.0 -56.0 5.6 5.8 138.3 232 81 B N H X S+ 0 0 35 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.908 113.7 51.0 -52.6 -47.0 8.2 4.6 140.7 233 82 B L H X S+ 0 0 1 -4,-3.0 4,-2.3 1,-0.3 -1,-0.2 0.913 108.3 52.4 -58.1 -42.2 9.6 8.1 141.0 234 83 B E H X S+ 0 0 105 -4,-1.7 4,-1.1 1,-0.3 -1,-0.3 0.844 111.7 46.8 -63.1 -32.6 6.1 9.3 141.8 235 84 B E H X S+ 0 0 87 -4,-1.9 4,-2.3 2,-0.2 -1,-0.3 0.768 105.5 58.6 -80.7 -25.8 5.9 6.7 144.4 236 85 B A H X S+ 0 0 0 -4,-2.1 4,-3.0 1,-0.2 -2,-0.2 0.940 104.2 53.2 -65.8 -43.3 9.3 7.7 145.8 237 86 B F H X S+ 0 0 23 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.850 107.7 50.2 -58.8 -38.4 7.9 11.1 146.3 238 87 B E H X S+ 0 0 89 -4,-1.1 4,-1.2 2,-0.2 -1,-0.2 0.952 111.3 47.5 -67.0 -48.3 5.0 9.6 148.3 239 88 B H H ><>S+ 0 0 47 -4,-2.3 5,-2.4 1,-0.2 3,-1.1 0.926 109.3 54.3 -57.0 -46.5 7.3 7.6 150.5 240 89 B L H ><5S+ 0 0 0 -4,-3.0 3,-2.8 1,-0.3 -1,-0.2 0.946 104.2 55.4 -52.2 -50.1 9.5 10.6 151.0 241 90 B A H 3<5S+ 0 0 0 -4,-2.2 -1,-0.3 1,-0.3 -204,-0.3 0.774 107.9 49.9 -54.5 -27.9 6.4 12.5 152.2 242 91 B S T <<5S- 0 0 21 -4,-1.2 -208,-0.7 -3,-1.1 -1,-0.3 0.276 115.1-115.9 -95.7 13.0 5.9 9.8 154.8 243 92 B G T < 5 + 0 0 9 -3,-2.8 2,-1.2 -210,-0.2 -3,-0.2 0.794 65.7 150.7 58.8 27.4 9.4 10.0 156.0 244 93 B D >< + 0 0 57 -5,-2.4 4,-2.5 1,-0.2 5,-0.2 -0.677 20.1 176.1 -95.0 82.3 9.8 6.4 154.8 245 94 B G H > S+ 0 0 6 -2,-1.2 4,-3.7 53,-0.3 -1,-0.2 0.919 77.1 46.5 -51.8 -52.2 13.4 6.2 153.8 246 95 B M H > S+ 0 0 108 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.924 112.7 46.7 -60.0 -50.6 13.3 2.5 152.9 247 96 B G H > S+ 0 0 13 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.923 117.2 46.8 -57.7 -43.3 10.2 2.6 150.8 248 97 B M H X S+ 0 0 0 -4,-2.5 4,-3.1 1,-0.2 5,-0.3 0.979 109.1 53.1 -59.8 -58.0 11.6 5.6 149.1 249 98 B N H X S+ 0 0 31 -4,-3.7 4,-3.0 -5,-0.2 -2,-0.2 0.876 110.0 49.9 -45.0 -48.3 15.0 4.0 148.6 250 99 B M H X S+ 0 0 124 -4,-2.7 4,-0.6 2,-0.2 -1,-0.2 0.983 113.3 41.9 -56.1 -68.8 13.4 1.0 146.9 251 100 B K H >X S+ 0 0 39 -4,-2.1 4,-2.1 1,-0.2 3,-1.1 0.861 116.9 48.4 -49.5 -43.3 11.3 2.9 144.4 252 101 B V H 3X S+ 0 0 0 -4,-3.1 4,-2.1 1,-0.3 3,-0.3 0.994 106.7 57.6 -61.2 -53.4 14.0 5.4 143.6 253 102 B S H 3X S+ 0 0 47 -4,-3.0 4,-0.7 -5,-0.3 -1,-0.3 0.559 108.8 48.4 -50.9 -11.0 16.4 2.5 143.2 254 103 B A H X S+ 0 0 1 -4,-2.1 4,-2.1 -3,-0.3 3,-0.7 0.855 106.2 61.3 -55.7 -32.9 13.5 4.3 138.4 256 105 B L H 3X S+ 0 0 27 -4,-2.1 4,-3.1 1,-0.3 -1,-0.2 0.975 104.8 43.1 -56.9 -59.9 17.3 4.4 138.3 257 106 B D H 3X S+ 0 0 87 -4,-0.7 4,-0.8 1,-0.2 -1,-0.3 0.519 107.1 66.7 -66.3 -3.4 17.6 1.0 136.6 258 107 B G H XX S+ 0 0 2 -3,-0.7 4,-2.3 -4,-0.6 3,-0.5 0.960 110.2 31.6 -77.0 -60.0 14.8 2.2 134.4 259 108 B A H 3X S+ 0 0 1 -4,-2.1 4,-1.1 1,-0.3 -2,-0.2 0.899 116.6 59.8 -61.3 -40.9 16.8 4.9 132.8 260 109 B D H 3X S+ 0 0 36 -4,-3.1 4,-1.1 -5,-0.3 -1,-0.3 0.838 107.3 47.2 -56.8 -33.2 19.9 2.7 133.2 261 110 B T H X< S+ 0 0 45 -4,-0.8 3,-0.6 -3,-0.5 -2,-0.2 0.980 100.9 62.7 -71.3 -57.3 18.1 0.2 131.1 262 111 B d H >< S+ 0 0 0 -4,-2.3 3,-0.7 1,-0.3 -1,-0.2 0.681 100.8 57.3 -40.9 -25.0 17.1 2.7 128.4 263 112 B L H >< S+ 0 0 36 -4,-1.1 3,-2.2 1,-0.2 2,-1.2 0.977 105.2 46.7 -71.9 -58.1 20.8 3.2 127.8 264 113 B D T << S+ 0 0 118 -4,-1.1 -1,-0.2 -3,-0.6 -2,-0.2 -0.074 104.9 64.2 -77.6 39.2 21.5 -0.5 127.0 265 114 B D T < S+ 0 0 51 -2,-1.2 -1,-0.3 -3,-0.7 -2,-0.2 0.161 105.9 42.0-137.1 -0.4 18.5 -0.5 124.7 266 115 B V S < S+ 0 0 10 -3,-2.2 -2,-0.2 -48,-0.1 6,-0.1 -0.158 78.4 157.5-136.0 25.2 20.1 2.0 122.4 267 116 B K S S- 0 0 125 1,-0.2 -3,-0.1 2,-0.1 5,-0.1 0.638 80.1 -28.2 -25.4 -41.3 23.4 0.2 122.7 268 117 B R + 0 0 192 3,-0.0 4,-0.3 -3,-0.0 -1,-0.2 0.379 66.7 166.0-147.9 -55.7 24.7 1.6 119.5 269 118 B L - 0 0 8 1,-0.2 2,-2.7 2,-0.1 -2,-0.1 0.603 62.5-109.4 36.9 18.4 21.9 2.4 116.9 270 119 B R S S+ 0 0 229 1,-0.1 2,-0.6 2,-0.0 -1,-0.2 -0.386 106.8 32.6 64.7 -76.5 24.6 4.4 115.0 271 120 B S S S- 0 0 96 -2,-2.7 2,-0.5 2,-0.0 -2,-0.1 -0.791 74.8-175.8-116.3 91.0 23.0 7.8 115.9 272 121 B V - 0 0 44 -2,-0.6 2,-0.3 -4,-0.3 5,-0.1 -0.735 44.1 -98.1 -86.1 125.4 21.4 7.7 119.3 273 122 B D >> - 0 0 49 -2,-0.5 4,-1.4 1,-0.2 3,-0.8 -0.206 31.3-143.3 -47.5 102.5 19.6 11.0 120.1 274 123 B S H 3> S+ 0 0 83 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.773 95.7 60.0 -36.1 -44.8 22.2 12.8 122.2 275 124 B S H 3> S+ 0 0 49 1,-0.2 4,-3.4 2,-0.2 5,-0.3 0.952 103.5 48.7 -52.0 -59.3 19.4 14.3 124.5 276 125 B V H <> S+ 0 0 3 -3,-0.8 4,-2.3 1,-0.2 5,-0.3 0.877 110.9 50.3 -50.4 -47.5 18.1 10.9 125.6 277 126 B V H X S+ 0 0 36 -4,-1.4 4,-2.6 1,-0.2 -1,-0.2 0.969 116.2 40.8 -58.8 -53.6 21.5 9.6 126.5 278 127 B N H X S+ 0 0 81 -4,-2.4 4,-3.1 2,-0.2 -2,-0.2 0.886 112.9 53.6 -63.0 -42.9 22.4 12.7 128.6 279 128 B N H X S+ 0 0 20 -4,-3.4 4,-3.7 -5,-0.2 -1,-0.2 0.915 113.5 43.7 -58.5 -43.0 19.0 13.0 130.2 280 129 B S H X S+ 0 0 0 -4,-2.3 4,-3.5 -5,-0.3 5,-0.3 0.918 113.0 51.4 -67.6 -44.1 19.2 9.3 131.3 281 130 B K H X S+ 0 0 115 -4,-2.6 4,-1.7 -5,-0.3 -2,-0.2 0.898 114.5 44.6 -60.7 -37.7 22.8 9.8 132.4 282 131 B T H X S+ 0 0 34 -4,-3.1 4,-3.0 2,-0.2 -2,-0.2 0.970 112.7 50.4 -69.7 -51.0 21.6 12.8 134.4 283 132 B I H X S+ 0 0 3 -4,-3.7 4,-2.6 1,-0.3 5,-0.2 0.891 108.9 51.8 -53.6 -41.2 18.6 10.9 135.7 284 133 B K H X S+ 0 0 60 -4,-3.5 4,-1.3 1,-0.2 -1,-0.3 0.915 112.1 49.0 -60.9 -40.0 20.9 8.1 136.8 285 134 B N H X S+ 0 0 37 -4,-1.7 4,-1.3 -5,-0.3 3,-0.3 0.941 110.3 47.8 -63.5 -51.1 23.0 10.7 138.5 286 135 B L H >X S+ 0 0 3 -4,-3.0 4,-2.0 1,-0.2 3,-1.1 0.957 108.5 54.3 -56.8 -52.6 20.1 12.4 140.3 287 136 B C H 3X S+ 0 0 1 -4,-2.6 4,-2.5 1,-0.3 -1,-0.2 0.833 101.6 61.4 -50.8 -35.0 18.7 9.1 141.6 288 137 B G H 3X S+ 0 0 14 -4,-1.3 4,-1.9 -3,-0.3 -1,-0.3 0.907 103.9 47.2 -59.8 -42.1 22.1 8.4 143.1 289 138 B I H X S+ 0 0 0 -4,-2.1 3,-2.4 1,-0.2 4,-1.3 0.929 105.9 56.8 -66.5 -46.1 19.5 10.5 151.3 294 143 B S H 3< S+ 0 0 0 -4,-2.9 3,-0.5 1,-0.3 -1,-0.2 0.879 108.7 50.4 -54.2 -34.2 16.7 7.9 151.7 295 144 B N T 3< S+ 0 0 86 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.575 109.3 51.3 -78.7 -9.3 19.3 5.8 153.6 296 145 B M T <4 S+ 0 0 61 -3,-2.4 -1,-0.2 -4,-0.3 -2,-0.2 0.551 83.5 112.3-101.9 -10.7 20.1 8.7 155.8 297 146 B L S < S- 0 0 5 -4,-1.3 -51,-0.1 -3,-0.5 -52,-0.0 -0.376 86.7 -88.1 -64.0 139.1 16.5 9.5 156.7 298 147 B P 0 0 108 0, 0.0 -53,-0.3 0, 0.0 -1,-0.1 -0.232 360.0 360.0 -50.2 122.1 15.6 8.8 160.4 299 148 B R 0 0 188 -3,-0.1 -4,-0.0 -4,-0.1 -55,-0.0 -0.037 360.0 360.0 -84.0 360.0 14.6 5.2 160.7 300 !* 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 0.0 301 0 C D 0 0 126 0, 0.0 3,-0.5 0, 0.0 -127,-0.0 0.000 360.0 360.0 360.0 -77.4 28.8 22.1 159.2 302 1 C S + 0 0 101 1,-0.2 4,-0.1 2,-0.1 -124,-0.1 -0.093 360.0 61.8-102.1 32.4 29.5 23.6 155.7 303 2 C S > + 0 0 59 2,-0.1 4,-3.4 3,-0.1 -1,-0.2 0.304 67.5 101.3-133.8 -1.3 30.6 20.2 154.5 304 3 C E H > S+ 0 0 62 -3,-0.5 4,-3.3 2,-0.2 5,-0.3 0.943 84.6 49.5 -51.9 -54.5 27.4 18.2 154.9 305 4 C M H > S+ 0 0 22 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.938 113.5 47.7 -49.5 -51.9 26.5 18.5 151.2 306 5 C S H > S+ 0 0 47 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.940 111.3 50.1 -55.0 -52.8 30.1 17.3 150.4 307 6 C T H < S+ 0 0 73 -4,-3.4 4,-0.5 1,-0.2 -1,-0.2 0.932 113.4 45.6 -52.3 -51.1 29.8 14.5 152.9 308 7 C I H >< S+ 0 0 6 -4,-3.3 3,-0.6 1,-0.2 -1,-0.2 0.841 113.0 51.2 -62.8 -35.3 26.5 13.3 151.5 309 8 C e H >< S+ 0 0 1 -4,-2.6 3,-1.7 -5,-0.3 -1,-0.2 0.808 98.3 64.1 -73.6 -30.1 27.8 13.7 147.9 310 9 C D T 3< S+ 0 0 106 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.670 97.1 59.1 -67.1 -16.1 31.0 11.6 148.6 311 10 C K T < S+ 0 0 126 -3,-0.6 -1,-0.3 -4,-0.5 -2,-0.2 0.491 95.2 87.0 -89.3 -5.2 28.7 8.6 149.2 312 11 C T S < S- 0 0 16 -3,-1.7 -23,-0.1 -4,-0.1 -27,-0.1 -0.242 86.9-119.2 -86.5 176.4 27.3 9.0 145.7 313 12 C L S S+ 0 0 170 1,-0.2 -1,-0.1 -28,-0.2 -28,-0.1 0.709 111.6 36.5 -88.6 -23.6 28.6 7.5 142.5 314 13 C N > + 0 0 47 -29,-0.2 4,-2.2 1,-0.2 -1,-0.2 -0.596 69.6 172.9-129.3 72.1 29.2 10.9 140.9 315 14 C P H > S+ 0 0 49 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.856 77.6 52.5 -44.7 -49.6 30.4 13.1 143.8 316 15 C S H > S+ 0 0 92 2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.942 110.4 46.3 -56.7 -53.0 31.2 16.1 141.6 317 16 C F H > S+ 0 0 49 1,-0.2 4,-3.0 2,-0.2 3,-0.4 0.955 113.2 50.6 -51.9 -57.4 27.7 16.2 139.9 318 17 C e H X S+ 0 0 0 -4,-2.2 4,-3.4 1,-0.2 5,-0.4 0.919 109.8 48.5 -46.5 -57.3 26.0 15.9 143.2 319 18 C L H X S+ 0 0 45 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.813 113.3 47.9 -58.7 -34.0 27.9 18.7 144.9 320 19 C K H X S+ 0 0 158 -4,-1.9 4,-2.9 -3,-0.4 -1,-0.2 0.963 115.4 43.8 -71.6 -50.7 27.3 21.0 141.9 321 20 C F H X S+ 0 0 29 -4,-3.0 4,-2.2 2,-0.2 -2,-0.2 0.931 117.7 44.1 -60.2 -49.9 23.6 20.3 141.7 322 21 C L H X S+ 0 0 0 -4,-3.4 4,-2.8 -5,-0.2 -1,-0.2 0.911 113.4 52.0 -64.0 -40.4 23.0 20.4 145.5 323 22 C N H X S+ 0 0 72 -4,-1.8 4,-0.9 -5,-0.4 -2,-0.2 0.935 109.7 49.9 -61.4 -43.9 25.1 23.6 145.7 324 23 C T H < S+ 0 0 100 -4,-2.9 3,-0.3 1,-0.2 4,-0.3 0.914 116.4 40.3 -61.2 -43.0 23.1 25.2 143.0 325 24 C K H < S+ 0 0 101 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.855 129.0 26.5 -76.5 -36.3 19.7 24.4 144.6 326 25 C F H < S+ 0 0 50 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.070 89.4 104.5-117.6 26.3 20.6 25.1 148.3 327 26 C A S < S+ 0 0 69 -4,-0.9 -3,-0.1 -3,-0.3 -2,-0.1 0.996 92.9 15.7 -64.7 -75.7 23.3 27.6 148.0 328 27 C S S S- 0 0 59 -4,-0.3 -1,-0.3 -5,-0.1 2,-0.1 -0.911 83.6-137.4-105.9 114.3 21.5 30.8 148.9 329 28 C P - 0 0 22 0, 0.0 -3,-0.1 0, 0.0 -175,-0.0 -0.427 27.0-112.7 -69.7 141.2 18.1 30.2 150.6 330 29 C N > - 0 0 88 -2,-0.1 4,-1.9 1,-0.1 5,-0.1 -0.058 25.3-102.7 -68.9 174.5 15.3 32.4 149.4 331 30 C L H > S+ 0 0 39 2,-0.2 4,-3.7 1,-0.2 5,-0.3 0.844 116.5 59.5 -66.9 -35.4 13.5 35.1 151.4 332 31 C Q H > S+ 0 0 44 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.944 113.1 34.0 -59.4 -55.3 10.5 32.9 152.0 333 32 C A H > S+ 0 0 30 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.850 119.1 55.9 -69.7 -34.2 12.3 30.1 153.8 334 33 C L H X S+ 0 0 0 -4,-1.9 4,-2.0 2,-0.2 3,-0.4 0.976 113.9 37.3 -60.2 -57.2 14.6 32.8 155.3 335 34 C A H X S+ 0 0 0 -4,-3.7 4,-3.4 1,-0.2 5,-0.2 0.884 111.6 60.6 -62.0 -42.1 11.7 34.8 156.8 336 35 C K H X S+ 0 0 12 -4,-2.5 4,-1.0 -5,-0.3 -1,-0.2 0.822 108.3 44.4 -57.4 -34.3 9.8 31.7 157.7 337 36 C T H X S+ 0 0 15 -4,-1.6 4,-2.5 -3,-0.4 3,-0.4 0.948 113.5 48.7 -75.6 -50.7 12.6 30.5 159.9 338 37 C T H X S+ 0 0 0 -4,-2.0 4,-2.7 1,-0.2 5,-0.2 0.920 108.9 54.5 -53.6 -49.0 13.2 33.9 161.5 339 38 C L H X S+ 0 0 0 -4,-3.4 4,-2.1 1,-0.2 -1,-0.2 0.853 110.4 46.3 -55.6 -37.2 9.5 34.3 162.2 340 39 C D H X S+ 0 0 28 -4,-1.0 4,-1.9 -3,-0.4 -1,-0.2 0.875 110.4 52.4 -74.6 -37.9 9.5 30.9 164.0 341 40 C S H X S+ 0 0 16 -4,-2.5 4,-3.0 2,-0.2 5,-0.3 0.972 114.5 42.2 -59.6 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