==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-APR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 27-FEB-12 4DXJ . COMPND 2 MOLECULE: FARNESYL PYROPHOSPHATE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: TRYPANOSOMA CRUZI; . AUTHOR S.ARIPIRALA,L.M.AMZEL,S.B.GABELLI . 1086 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 44677.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 863 79.5 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 . 13 1.2 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 . 3 0.3 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 . 16 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 106 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 687 63.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 27 2.5 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 7 0 0 2 1 2 4 3 0 3 1 6 2 0 0 0 0 0 1 6 2 5 1 0 0 0 3 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 . 2 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 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 0 191 0, 0.0 4,-1.4 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0-109.2 29.5 29.5 201.4 2 2 A A H > + 0 0 32 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.733 360.0 64.9 -63.7 -22.1 26.9 30.1 198.7 3 3 A S H > S+ 0 0 17 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.913 98.8 47.1 -67.5 -47.8 27.7 33.8 199.5 4 4 A M H > S+ 0 0 57 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.926 110.6 52.8 -62.1 -46.1 31.3 33.7 198.3 5 5 A E H X S+ 0 0 25 -4,-1.4 4,-2.3 1,-0.2 -1,-0.2 0.900 109.5 48.2 -57.2 -45.6 30.4 32.0 195.1 6 6 A R H X S+ 0 0 44 -4,-1.6 4,-1.8 1,-0.2 -1,-0.2 0.940 112.0 50.0 -61.2 -47.0 27.8 34.6 194.2 7 7 A F H X S+ 0 0 0 -4,-2.1 4,-1.2 1,-0.2 -2,-0.2 0.899 112.3 46.8 -56.7 -45.4 30.3 37.5 195.1 8 8 A L H X S+ 0 0 6 -4,-2.6 4,-1.2 1,-0.2 3,-0.3 0.882 107.8 56.1 -69.6 -38.7 33.0 36.0 192.9 9 9 A S H X S+ 0 0 68 -4,-2.3 4,-1.4 1,-0.2 -1,-0.2 0.850 103.7 55.8 -56.7 -40.8 30.5 35.4 190.0 10 10 A V H X S+ 0 0 5 -4,-1.8 4,-3.1 1,-0.2 -1,-0.2 0.844 98.1 61.9 -64.3 -36.1 29.6 39.1 190.0 11 11 A Y H X S+ 0 0 2 -4,-1.2 4,-3.4 -3,-0.3 5,-0.2 0.942 103.9 48.8 -52.5 -51.3 33.3 40.1 189.6 12 12 A D H X S+ 0 0 45 -4,-1.2 4,-2.3 1,-0.2 -1,-0.2 0.878 112.9 48.0 -57.1 -42.5 33.4 38.4 186.2 13 13 A E H X S+ 0 0 95 -4,-1.4 4,-2.2 2,-0.2 -1,-0.2 0.912 114.0 46.4 -63.3 -46.0 30.2 40.1 185.2 14 14 A V H X S+ 0 0 0 -4,-3.1 4,-2.3 2,-0.2 -2,-0.2 0.926 113.3 49.0 -64.0 -46.4 31.5 43.5 186.4 15 15 A Q H X S+ 0 0 25 -4,-3.4 4,-2.8 -5,-0.2 5,-0.3 0.903 109.7 51.8 -59.8 -45.5 34.9 43.0 184.6 16 16 A A H X S+ 0 0 44 -4,-2.3 4,-2.8 -5,-0.2 5,-0.3 0.939 110.8 47.8 -59.0 -48.0 33.2 42.0 181.4 17 17 A F H X S+ 0 0 45 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.916 113.9 47.3 -58.0 -45.5 31.0 45.1 181.4 18 18 A L H X S+ 0 0 0 -4,-2.3 4,-1.3 2,-0.2 -2,-0.2 0.902 117.6 40.2 -63.4 -46.0 34.0 47.4 182.1 19 19 A L H X S+ 0 0 24 -4,-2.8 4,-1.4 2,-0.2 -2,-0.2 0.851 114.1 52.4 -76.4 -38.0 36.3 45.9 179.5 20 20 A D H X S+ 0 0 107 -4,-2.8 4,-2.4 -5,-0.3 5,-0.2 0.897 110.4 49.8 -60.4 -42.5 33.5 45.5 176.8 21 21 A Q H X>S+ 0 0 27 -4,-2.0 4,-2.2 -5,-0.3 5,-0.8 0.825 104.2 57.9 -68.7 -33.5 32.7 49.2 177.4 22 22 A L H X5S+ 0 0 0 -4,-1.3 6,-2.0 3,-0.2 4,-0.7 0.873 111.1 44.8 -63.8 -34.5 36.3 50.2 177.0 23 23 A Q H X5S+ 0 0 136 -4,-1.4 4,-0.6 4,-0.2 -2,-0.2 0.948 120.0 36.1 -70.8 -52.3 36.2 48.5 173.5 24 24 A S H <5S+ 0 0 91 -4,-2.4 -2,-0.2 1,-0.1 -3,-0.2 0.743 133.5 21.8 -81.6 -21.1 32.9 49.9 172.2 25 25 A K H <5S+ 0 0 111 -4,-2.2 -3,-0.2 -5,-0.2 -1,-0.1 0.684 124.9 43.1-115.8 -25.4 33.0 53.3 173.7 26 26 A Y H < - 0 0 30 1,-0.1 4,-1.9 -2,-0.0 3,-0.3 -0.611 28.6-103.2 -91.5 159.6 43.0 48.2 171.5 30 30 A P H > S+ 0 0 107 0, 0.0 4,-1.8 0, 0.0 5,-0.1 0.839 116.5 50.7 -52.2 -42.4 43.4 44.5 172.5 31 31 A N H > S+ 0 0 53 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.857 110.9 46.8 -70.0 -38.4 46.8 44.8 174.3 32 32 A R H > S+ 0 0 7 -3,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.829 110.2 54.3 -71.3 -31.6 45.7 47.8 176.5 33 33 A A H X S+ 0 0 21 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.881 110.0 47.4 -65.2 -38.7 42.5 45.9 177.4 34 34 A R H X S+ 0 0 80 -4,-1.8 4,-2.7 2,-0.2 5,-0.3 0.922 109.1 54.3 -65.5 -45.9 44.6 43.0 178.5 35 35 A Y H X S+ 0 0 3 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.938 112.4 42.8 -51.7 -51.9 46.9 45.4 180.5 36 36 A L H X S+ 0 0 1 -4,-2.3 4,-3.1 2,-0.2 -1,-0.2 0.825 111.1 55.7 -69.8 -31.6 43.9 46.8 182.4 37 37 A R H X S+ 0 0 94 -4,-1.9 4,-2.7 2,-0.2 -1,-0.2 0.931 111.5 43.2 -60.7 -48.8 42.3 43.3 182.8 38 38 A I H X S+ 0 0 19 -4,-2.7 4,-3.0 2,-0.2 5,-0.2 0.895 113.9 52.3 -65.0 -40.7 45.5 42.1 184.5 39 39 A M H X S+ 0 0 0 -4,-2.4 4,-2.6 -5,-0.3 5,-0.3 0.970 111.0 46.8 -56.6 -56.8 45.7 45.3 186.5 40 40 A M H X S+ 0 0 0 -4,-3.1 4,-2.2 1,-0.2 5,-0.3 0.938 115.7 45.4 -47.5 -55.7 42.1 44.9 187.7 41 41 A D H X S+ 0 0 44 -4,-2.7 4,-1.7 2,-0.2 -1,-0.2 0.909 114.4 47.6 -58.1 -47.7 42.8 41.2 188.6 42 42 A T H < S+ 0 0 32 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.940 120.7 35.2 -62.1 -49.4 46.1 41.9 190.4 43 43 A T H < S+ 0 0 12 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.662 124.6 40.6 -83.5 -18.5 44.9 44.8 192.5 44 44 A C H < S+ 0 0 1 -4,-2.2 2,-0.2 -5,-0.3 -1,-0.2 0.607 109.4 58.2-104.8 -14.7 41.3 43.6 193.2 45 45 A L S < S+ 0 0 32 -4,-1.7 3,-0.1 -5,-0.3 0, 0.0 -0.689 80.1 48.4-116.5 165.4 41.8 39.9 193.8 46 46 A G S S+ 0 0 45 1,-0.3 -1,-0.1 -2,-0.2 -4,-0.1 0.281 81.8 109.6 90.0 -12.2 43.8 37.8 196.3 47 47 A G S S- 0 0 14 -3,-0.2 -1,-0.3 1,-0.1 -3,-0.0 -0.135 85.2-106.4 -75.6-173.4 42.7 39.7 199.3 48 48 A K - 0 0 101 -3,-0.1 5,-0.1 -2,-0.0 -1,-0.1 0.432 39.5-133.0-101.3 2.7 40.3 38.1 201.8 49 49 A Y > + 0 0 34 1,-0.1 4,-2.4 3,-0.1 5,-0.2 0.767 51.8 150.1 51.6 37.0 37.4 40.2 200.7 50 50 A F H > S+ 0 0 37 2,-0.2 4,-1.1 1,-0.2 -1,-0.1 0.940 74.1 45.1 -58.3 -49.7 36.3 41.2 204.3 51 51 A R H >> S+ 0 0 20 2,-0.2 4,-1.1 1,-0.2 3,-0.8 0.958 115.9 44.2 -58.9 -57.0 34.9 44.5 203.1 52 52 A G H 3> S+ 0 0 0 1,-0.2 4,-1.0 2,-0.2 3,-0.4 0.891 115.0 48.2 -57.0 -44.5 33.1 43.2 200.0 53 53 A M H 3X S+ 0 0 22 -4,-2.4 4,-2.9 1,-0.2 -1,-0.2 0.626 100.0 68.1 -75.1 -17.1 31.6 40.2 201.8 54 54 A T H < S+ 0 0 6 -4,-1.5 3,-0.7 1,-0.2 -2,-0.2 0.903 108.2 52.2 -67.7 -41.1 16.8 38.5 203.8 64 64 A A H 3< S+ 0 0 82 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.869 110.4 44.7 -65.8 -42.3 16.9 35.5 206.2 65 65 A V T 3< S+ 0 0 100 -4,-1.4 -1,-0.2 -5,-0.2 2,-0.2 0.459 118.7 45.6 -84.6 -2.0 14.8 37.0 209.0 66 66 A T S < S- 0 0 82 -3,-0.7 2,-0.4 -4,-0.4 -3,-0.0 -0.643 85.0-109.8-125.5-176.8 12.2 38.3 206.5 67 67 A Q + 0 0 159 -2,-0.2 2,-0.3 2,-0.0 -3,-0.1 -0.985 34.2 172.7-124.6 130.8 10.3 36.9 203.5 68 68 A H - 0 0 47 -2,-0.4 2,-0.1 -5,-0.1 5,-0.0 -0.976 38.0-105.1-135.4 146.0 10.9 38.0 199.9 69 69 A D >> - 0 0 91 -2,-0.3 4,-1.8 1,-0.1 3,-0.8 -0.471 44.1-110.6 -63.0 141.4 9.7 37.0 196.5 70 70 A E H 3> S+ 0 0 121 1,-0.3 4,-1.8 2,-0.2 5,-0.2 0.828 116.5 55.1 -46.2 -44.2 12.6 35.1 194.7 71 71 A A H 3> S+ 0 0 73 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.904 109.1 46.4 -56.5 -46.2 13.1 38.0 192.2 72 72 A T H <> S+ 0 0 33 -3,-0.8 4,-1.9 1,-0.2 -1,-0.2 0.796 107.9 58.1 -69.9 -30.4 13.5 40.6 194.9 73 73 A K H X S+ 0 0 67 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.891 109.1 44.8 -63.5 -41.8 15.9 38.3 196.8 74 74 A E H X S+ 0 0 65 -4,-1.8 4,-2.5 2,-0.2 5,-0.2 0.850 110.0 53.8 -73.4 -37.9 18.2 38.2 193.7 75 75 A R H X S+ 0 0 81 -4,-1.8 4,-2.9 2,-0.2 -2,-0.2 0.947 112.2 44.9 -58.8 -50.7 18.1 41.9 193.0 76 76 A I H X S+ 0 0 8 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.932 115.7 45.5 -61.4 -50.5 19.2 42.7 196.6 77 77 A L H X S+ 0 0 9 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.883 114.2 48.3 -63.1 -40.4 21.9 40.1 196.7 78 78 A H H X S+ 0 0 46 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.951 112.5 49.2 -63.9 -48.6 23.3 41.1 193.3 79 79 A D H X S+ 0 0 3 -4,-2.9 4,-2.9 1,-0.2 -2,-0.2 0.872 109.3 53.5 -53.1 -42.1 23.2 44.8 194.4 80 80 A A H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.884 109.3 48.4 -61.6 -39.9 25.0 43.7 197.6 81 81 A C H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.909 111.9 47.4 -68.9 -41.9 27.7 42.1 195.5 82 82 A V H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.955 113.0 49.7 -65.3 -48.5 28.1 45.1 193.2 83 83 A G H X S+ 0 0 0 -4,-2.9 4,-1.5 1,-0.2 -2,-0.2 0.910 109.7 51.9 -49.9 -49.7 28.3 47.3 196.3 84 84 A G H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.877 108.8 50.3 -56.4 -41.3 30.9 45.0 197.8 85 85 A W H X S+ 0 0 0 -4,-2.2 4,-2.7 1,-0.2 5,-0.2 0.839 103.3 59.5 -69.8 -32.6 33.0 45.2 194.6 86 86 A M H X S+ 0 0 0 -4,-2.3 4,-1.4 2,-0.2 -1,-0.2 0.891 110.7 43.2 -55.4 -40.8 32.8 49.0 194.7 87 87 A I H X S+ 0 0 0 -4,-1.5 4,-2.4 2,-0.2 -2,-0.2 0.933 112.0 51.5 -75.4 -46.1 34.5 48.8 198.0 88 88 A E H X S+ 0 0 4 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.886 112.2 47.4 -54.5 -42.0 37.0 46.2 197.0 89 89 A F H X S+ 0 0 0 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.820 108.5 55.6 -71.3 -32.1 38.0 48.4 194.0 90 90 A L H X S+ 0 0 0 -4,-1.4 4,-2.2 -5,-0.2 -2,-0.2 0.898 110.1 45.0 -66.9 -40.3 38.2 51.4 196.3 91 91 A Q H X S+ 0 0 17 -4,-2.4 4,-3.5 2,-0.2 5,-0.3 0.916 108.5 56.8 -67.7 -40.8 40.7 49.5 198.4 92 92 A A H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.929 108.0 49.5 -51.5 -44.6 42.5 48.4 195.3 93 93 A H H X S+ 0 0 1 -4,-2.3 4,-1.8 2,-0.2 -1,-0.2 0.936 113.6 44.7 -58.6 -49.9 42.8 52.1 194.5 94 94 A Y H X S+ 0 0 4 -4,-2.2 4,-3.0 1,-0.2 -2,-0.2 0.923 112.2 50.3 -62.7 -47.0 44.1 52.9 198.0 95 95 A L H X S+ 0 0 18 -4,-3.5 4,-2.3 1,-0.2 -1,-0.2 0.869 108.2 54.2 -62.3 -39.3 46.6 49.9 198.1 96 96 A V H X S+ 0 0 6 -4,-2.3 4,-1.2 -5,-0.3 -1,-0.2 0.957 117.1 34.7 -58.4 -53.1 48.0 50.9 194.7 97 97 A E H X S+ 0 0 0 -4,-1.8 4,-2.8 1,-0.2 -2,-0.2 0.872 116.4 57.1 -70.0 -37.0 48.8 54.5 195.7 98 98 A D H X S+ 0 0 23 -4,-3.0 4,-2.5 2,-0.2 -1,-0.2 0.867 103.2 52.1 -63.8 -38.7 49.7 53.5 199.3 99 99 A D H <>S+ 0 0 3 -4,-2.3 5,-2.4 2,-0.2 4,-0.3 0.878 112.8 45.9 -66.6 -37.4 52.4 51.0 198.2 100 100 A I H ><5S+ 0 0 24 -4,-1.2 3,-0.8 3,-0.2 -2,-0.2 0.924 114.7 48.1 -64.2 -48.9 54.0 53.7 196.1 101 101 A M H 3<5S+ 0 0 10 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.816 117.3 40.9 -63.1 -34.7 53.7 56.2 199.0 102 102 A D T 3<5S- 0 0 13 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.413 106.7-124.2 -96.1 2.2 55.1 53.8 201.5 103 103 A G T < 5 + 0 0 44 -3,-0.8 -3,-0.2 -4,-0.3 -4,-0.1 0.861 50.2 170.6 57.4 38.9 57.8 52.5 199.2 104 104 A S < - 0 0 8 -5,-2.4 -1,-0.1 -6,-0.2 3,-0.1 -0.318 30.6-160.3 -81.6 162.9 56.6 48.9 199.7 105 105 A V + 0 0 60 160,-0.3 7,-2.1 1,-0.3 2,-0.4 0.739 68.0 37.4-111.9 -32.8 57.8 45.8 197.7 106 106 A M E +A 111 0A 55 5,-0.3 159,-0.7 159,-0.2 2,-0.3 -0.946 49.2 176.6-134.0 142.8 55.2 43.1 198.1 107 107 A R E > S-A 110 0A 42 3,-2.7 3,-1.6 -2,-0.4 157,-0.2 -0.958 75.1 -11.5-147.6 126.2 51.4 43.0 198.4 108 108 A R T 3 S- 0 0 58 -2,-0.3 156,-0.2 1,-0.3 155,-0.1 0.775 127.1 -52.9 54.4 36.4 49.3 39.8 198.7 109 109 A G T 3 S+ 0 0 52 154,-2.5 -1,-0.3 1,-0.3 155,-0.1 0.320 125.2 77.2 89.3 -7.4 52.2 37.4 197.8 110 110 A K E < S-A 107 0A 127 -3,-1.6 -3,-2.7 153,-0.3 -1,-0.3 -0.744 94.8 -72.5-122.6 171.6 53.2 39.2 194.6 111 111 A P E -A 106 0A 61 0, 0.0 -5,-0.3 0, 0.0 -1,-0.1 -0.335 60.5 -92.7 -61.0 151.3 55.2 42.4 193.8 112 112 A C >> - 0 0 0 -7,-2.1 3,-2.6 1,-0.1 4,-0.5 -0.396 42.8-109.9 -55.2 143.4 53.4 45.6 194.5 113 113 A W G >4 S+ 0 0 12 1,-0.3 3,-1.2 2,-0.2 -1,-0.1 0.818 118.9 56.5 -50.3 -40.5 51.6 46.7 191.3 114 114 A Y G 34 S+ 0 0 38 1,-0.3 -1,-0.3 -18,-0.2 10,-0.1 0.591 106.8 51.8 -72.2 -10.2 54.0 49.6 190.8 115 115 A R G <4 S+ 0 0 128 -3,-2.6 -1,-0.3 -10,-0.1 -2,-0.2 0.429 75.2 124.2-104.9 -6.4 56.9 47.1 190.9 116 116 A F S X< S- 0 0 13 -3,-1.2 3,-2.7 -4,-0.5 430,-0.1 -0.374 74.6-117.6 -51.1 132.4 55.6 44.7 188.3 117 117 A P T 3 S+ 0 0 82 0, 0.0 432,-0.6 0, 0.0 429,-0.2 0.830 112.5 41.2 -49.8 -41.2 58.4 44.4 185.6 118 118 A G T 3 S+ 0 0 5 427,-2.7 2,-0.6 430,-0.2 428,-0.2 0.241 98.2 93.1 -90.9 13.0 56.2 45.9 182.8 119 119 A V < - 0 0 11 -3,-2.7 2,-0.2 426,-0.3 429,-0.0 -0.933 62.9-149.8-114.6 117.7 54.5 48.6 185.0 120 120 A T >> - 0 0 53 -2,-0.6 4,-2.8 1,-0.1 3,-0.6 -0.576 23.2-124.5 -76.4 145.5 56.0 52.1 185.2 121 121 A T H 3> S+ 0 0 61 1,-0.2 4,-2.2 -2,-0.2 5,-0.1 0.902 113.1 55.4 -54.8 -43.9 55.5 54.0 188.5 122 122 A Q H 3> S+ 0 0 71 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.786 110.1 45.2 -57.7 -34.4 53.8 56.8 186.5 123 123 A C H <> S+ 0 0 2 -3,-0.6 4,-3.4 2,-0.2 -2,-0.2 0.904 108.2 56.1 -81.0 -42.2 51.3 54.4 185.0 124 124 A A H X S+ 0 0 0 -4,-2.8 4,-2.6 2,-0.2 -2,-0.2 0.884 103.4 56.2 -52.2 -42.2 50.6 52.7 188.3 125 125 A I H X S+ 0 0 3 -4,-2.2 4,-1.4 1,-0.2 -1,-0.2 0.950 113.0 40.5 -55.7 -50.9 49.7 56.1 189.7 126 126 A N H X S+ 0 0 1 -4,-1.2 4,-2.3 2,-0.2 -2,-0.2 0.866 110.2 58.7 -66.9 -38.3 47.1 56.5 186.9 127 127 A D H X S+ 0 0 0 -4,-3.4 4,-2.1 1,-0.2 -1,-0.2 0.920 104.9 51.1 -53.3 -46.9 46.0 52.8 187.2 128 128 A G H X S+ 0 0 0 -4,-2.6 4,-1.4 1,-0.2 -1,-0.2 0.901 109.4 50.3 -56.9 -42.0 45.1 53.5 190.8 129 129 A I H X S+ 0 0 3 -4,-1.4 4,-1.8 1,-0.2 -1,-0.2 0.841 107.1 54.2 -69.0 -31.9 43.1 56.5 189.7 130 130 A I H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.887 102.3 59.3 -64.7 -38.7 41.3 54.3 187.1 131 131 A L H X S+ 0 0 0 -4,-2.1 4,-1.0 1,-0.2 -2,-0.2 0.878 106.8 45.3 -60.1 -42.9 40.4 51.8 189.9 132 132 A K H >X S+ 0 0 19 -4,-1.4 4,-1.0 2,-0.2 3,-0.7 0.922 110.5 53.7 -65.8 -45.4 38.5 54.5 191.8 133 133 A S H 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4,-2.0 1,-0.2 -1,-0.2 0.881 111.0 47.9 -54.2 -45.4 48.0 45.5 210.9 251 251 A D H X S+ 0 0 3 -4,-2.7 4,-0.7 2,-0.2 -1,-0.2 0.883 113.7 46.9 -63.0 -44.3 50.7 47.6 212.7 252 252 A V H >X S+ 0 0 13 -4,-2.7 4,-2.1 1,-0.2 3,-1.6 0.973 113.1 48.2 -62.4 -53.1 51.7 44.7 214.9 253 253 A M H 3X S+ 0 0 15 -4,-3.2 4,-2.0 1,-0.3 -2,-0.2 0.812 99.5 67.9 -58.2 -35.7 51.8 42.2 212.0 254 254 A D H 3< S+ 0 0 19 -4,-2.0 12,-0.3 -5,-0.2 -1,-0.3 0.816 114.8 29.5 -50.1 -34.5 53.9 44.7 209.9 255 255 A C H << S+ 0 0 10 -3,-1.6 -2,-0.2 -4,-0.7 -1,-0.2 0.812 132.4 28.5 -94.9 -38.4 56.6 44.1 212.4 256 256 A F H < S+ 0 0 61 -4,-2.1 -3,-0.2 -5,-0.1 -2,-0.2 0.648 93.3 86.1-111.2 -21.0 56.1 40.5 213.7 257 257 A T S < S- 0 0 35 -4,-2.0 9,-0.2 -5,-0.2 105,-0.0 -0.747 81.2-115.3 -87.9 127.2 54.4 38.4 211.0 258 258 A P >> - 0 0 72 0, 0.0 4,-3.0 0, 0.0 3,-2.4 -0.358 19.3-125.7 -56.7 135.9 56.8 36.8 208.5 259 259 A P H 3> S+ 0 0 43 0, 0.0 4,-2.8 0, 0.0 5,-0.1 0.844 110.3 66.5 -52.2 -37.1 56.3 38.1 204.9 260 260 A E H 34 S+ 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270 270 A E T 345S+ 0 0 53 1,-0.2 -1,-0.2 28,-0.2 -2,-0.2 0.827 112.9 49.4 -71.7 -34.0 61.8 52.3 208.0 271 271 A D T 3<5S- 0 0 38 -4,-2.3 -1,-0.2 28,-0.1 -2,-0.2 0.380 108.3-123.8 -86.5 0.0 59.2 54.9 207.1 272 272 A A T < 5 - 0 0 3 -3,-0.7 -3,-0.2 -4,-0.2 -83,-0.1 0.818 46.3-178.2 60.4 32.7 59.1 56.3 210.7 273 273 A K < - 0 0 5 -5,-2.3 2,-2.3 -6,-0.2 -1,-0.2 -0.290 39.0-118.2 -65.8 141.7 55.4 55.7 210.8 274 274 A C + 0 0 7 -104,-0.3 -1,-0.1 4,-0.1 2,-0.1 -0.529 56.5 167.1 -73.9 72.3 53.3 56.6 213.8 275 275 A S > - 0 0 4 -2,-2.3 4,-2.1 -7,-0.1 5,-0.2 -0.407 50.4-107.6 -85.3 168.7 52.4 52.9 214.3 276 276 A W H > S+ 0 0 24 -29,-0.2 4,-2.7 1,-0.2 5,-0.2 0.853 118.3 53.2 -65.4 -38.7 50.7 51.4 217.4 277 277 A L H > S+ 0 0 3 2,-0.2 4,-3.2 3,-0.2 -1,-0.2 0.931 109.2 48.6 -61.0 -47.0 54.0 49.7 218.5 278 278 A A H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.938 115.8 43.0 -61.0 -48.7 56.0 52.9 218.3 279 279 A V H X S+ 0 0 9 -4,-2.1 4,-1.2 2,-0.2 -2,-0.2 0.929 116.7 46.7 -62.4 -46.5 53.4 54.9 220.3 280 280 A T H < S+ 0 0 26 -4,-2.7 4,-0.5 2,-0.2 -2,-0.2 0.895 111.2 53.5 -66.0 -37.6 52.9 52.1 222.9 281 281 A F H >X S+ 0 0 0 -4,-3.2 4,-1.7 1,-0.2 3,-1.5 0.942 109.3 46.8 -58.2 -48.8 56.7 51.7 223.1 282 282 A L H 3< S+ 0 0 41 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.716 104.6 65.6 -67.7 -18.1 57.1 55.4 223.9 283 283 A G T 3< S+ 0 0 68 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.599 119.2 18.5 -74.3 -14.8 54.2 55.0 226.4 284 284 A K T <4 S+ 0 0 87 -3,-1.5 -2,-0.2 -4,-0.5 -1,-0.2 0.478 93.8 120.4-135.0 -8.0 56.3 52.7 228.6 285 285 A A < - 0 0 21 -4,-1.7 2,-0.1 -5,-0.1 -4,-0.0 -0.282 52.9-133.7 -70.0 145.0 59.9 53.2 227.7 286 286 A N > - 0 0 88 1,-0.0 4,-2.5 -2,-0.0 5,-0.2 -0.336 39.4 -88.2 -83.0 176.7 62.6 54.4 230.2 287 287 A A H > S+ 0 0 91 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.866 127.9 43.6 -55.2 -44.5 65.1 57.1 229.4 288 288 A A H > S+ 0 0 69 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.840 112.1 53.2 -71.7 -36.7 67.7 54.7 227.9 289 289 A Q H > S+ 0 0 48 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.892 111.4 46.4 -65.1 -40.8 65.1 52.8 225.9 290 290 A V H X S+ 0 0 32 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.943 110.7 52.7 -64.2 -48.4 63.8 56.1 224.4 291 291 A A H X S+ 0 0 59 -4,-2.1 4,-0.8 1,-0.2 -2,-0.2 0.899 111.2 45.7 -56.0 -46.4 67.3 57.3 223.6 292 292 A E H >< S+ 0 0 68 -4,-2.1 3,-0.5 2,-0.2 4,-0.3 0.879 111.5 53.8 -64.3 -41.0 68.2 54.1 221.7 293 293 A F H >X S+ 0 0 0 -4,-1.8 4,-2.2 1,-0.2 3,-2.1 0.968 106.0 51.8 -54.9 -55.9 64.8 54.2 219.9 294 294 A K H 3< S+ 0 0 97 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.672 108.2 53.0 -57.0 -21.2 65.4 57.8 218.6 295 295 A A T << S+ 0 0 64 -4,-0.8 -1,-0.3 -3,-0.5 -2,-0.2 0.429 120.3 29.1 -95.2 -0.6 68.8 56.8 217.2 296 296 A N T X4 S+ 0 0 26 -3,-2.1 3,-0.6 -4,-0.3 -2,-0.2 0.573 91.8 100.1-136.2 -23.4 67.6 53.9 215.2 297 297 A Y T 3< S+ 0 0 10 -4,-2.2 -27,-0.1 1,-0.2 3,-0.1 -0.448 79.8 25.4 -77.8 145.7 63.9 54.5 214.1 298 298 A G T 3 S+ 0 0 21 -29,-2.0 2,-0.4 1,-0.2 -1,-0.2 0.717 91.2 119.1 79.5 24.2 63.0 55.8 210.6 299 299 A D < - 0 0 63 -3,-0.6 -1,-0.2 -30,-0.3 -28,-0.1 -0.985 61.2-141.7-130.1 136.5 66.1 54.5 208.8 300 300 A K + 0 0 151 -2,-0.4 5,-0.1 -30,-0.2 -1,-0.1 0.818 65.6 117.3 -59.3 -39.5 66.3 52.0 205.9 301 301 A D > - 0 0 68 1,-0.2 4,-1.7 3,-0.1 3,-0.4 -0.035 63.3-143.7 -35.3 116.5 69.5 50.3 207.3 302 302 A P H > S+ 0 0 106 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.809 99.1 56.4 -58.6 -30.4 68.5 46.7 208.1 303 303 A A H > S+ 0 0 61 2,-0.2 4,-0.9 1,-0.2 -2,-0.1 0.889 105.6 49.3 -67.7 -40.5 70.8 46.8 211.2 304 304 A K H > S+ 0 0 72 -3,-0.4 4,-1.6 1,-0.2 3,-0.2 0.832 106.2 57.2 -69.5 -33.4 69.0 49.8 212.7 305 305 A V H X S+ 0 0 12 -4,-1.7 4,-2.9 1,-0.2 -1,-0.2 0.908 102.9 55.1 -59.0 -42.4 65.6 48.1 212.1 306 306 A A H X S+ 0 0 58 -4,-1.4 4,-2.2 1,-0.2 -1,-0.2 0.778 103.7 54.6 -66.1 -27.7 66.9 45.2 214.2 307 307 A V H X S+ 0 0 32 -4,-0.9 4,-2.4 -3,-0.2 -1,-0.2 0.898 110.8 44.9 -71.5 -41.8 67.6 47.5 217.1 308 308 A V H X S+ 0 0 0 -4,-1.6 4,-2.7 2,-0.2 -2,-0.2 0.973 115.2 47.4 -62.5 -55.0 64.1 48.9 217.0 309 309 A K H X S+ 0 0 76 -4,-2.9 4,-2.1 2,-0.2 -2,-0.2 0.880 110.9 52.2 -54.1 -42.4 62.6 45.4 216.8 310 310 A R H X S+ 0 0 95 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.956 110.7 47.7 -58.2 -50.8 64.9 44.2 219.6 311 311 A L H X S+ 0 0 1 -4,-2.4 4,-1.7 1,-0.2 -2,-0.2 0.866 109.5 53.9 -56.5 -40.7 63.6 47.1 221.7 312 312 A Y H <>S+ 0 0 2 -4,-2.7 5,-1.3 1,-0.2 6,-0.3 0.869 109.4 48.4 -61.6 -39.5 60.0 46.2 220.8 313 313 A S H ><5S+ 0 0 70 -4,-2.1 3,-1.1 -3,-0.2 -2,-0.2 0.889 111.1 49.5 -65.5 -42.5 60.6 42.6 222.0 314 314 A E H 3<5S+ 0 0 99 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.811 103.5 59.8 -69.5 -31.7 62.2 43.7 225.3 315 315 A A T 3<5S- 0 0 9 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.344 105.3-125.8 -82.2 5.6 59.3 46.1 226.1 316 316 A N T X>5 + 0 0 107 -3,-1.1 4,-1.1 1,-0.1 3,-0.8 0.833 54.2 154.2 53.0 41.1 56.7 43.3 226.1 317 317 A L H 3>< + 0 0 0 -5,-1.3 4,-2.3 1,-0.3 5,-0.2 0.854 65.2 69.1 -66.6 -36.5 54.5 45.0 223.5 318 318 A Q H 3> S+ 0 0 106 -6,-0.3 4,-0.7 1,-0.2 -1,-0.3 0.842 104.8 43.5 -43.2 -40.7 53.2 41.7 222.4 319 319 A A H <> S+ 0 0 56 -3,-0.8 4,-1.7 2,-0.2 -1,-0.2 0.759 105.3 59.2 -82.5 -31.8 51.5 41.6 225.8 320 320 A D H X S+ 0 0 49 -4,-1.1 4,-1.5 1,-0.2 -2,-0.2 0.848 101.6 58.6 -63.5 -32.4 50.3 45.2 225.8 321 321 A F H X S+ 0 0 35 -4,-2.3 4,-3.2 2,-0.2 -1,-0.2 0.870 102.2 52.9 -61.8 -39.4 48.4 44.1 222.7 322 322 A A H X S+ 0 0 48 -4,-0.7 4,-3.2 2,-0.2 5,-0.2 0.917 107.5 50.1 -62.3 -45.9 46.6 41.4 224.7 323 323 A A H X S+ 0 0 69 -4,-1.7 4,-1.4 2,-0.2 -1,-0.2 0.813 114.0 46.4 -62.5 -31.3 45.5 44.0 227.3 324 324 A Y H X S+ 0 0 37 -4,-1.5 4,-2.8 2,-0.2 -2,-0.2 0.929 112.1 50.4 -73.9 -47.1 44.3 46.1 224.4 325 325 A E H X S+ 0 0 54 -4,-3.2 4,-3.0 2,-0.2 -2,-0.2 0.945 110.2 49.5 -51.6 -55.0 42.6 43.1 222.8 326 326 A A H X S+ 0 0 56 -4,-3.2 4,-1.7 1,-0.2 -1,-0.2 0.886 111.8 49.0 -54.3 -46.0 40.8 42.2 226.1 327 327 A E H X S+ 0 0 91 -4,-1.4 4,-1.9 -5,-0.2 -1,-0.2 0.919 112.5 47.8 -59.2 -46.4 39.6 45.8 226.4 328 328 A V H X S+ 0 0 0 -4,-2.8 4,-2.9 1,-0.2 5,-0.2 0.907 106.3 57.0 -64.0 -44.0 38.3 45.9 222.8 329 329 A V H X S+ 0 0 34 -4,-3.0 4,-2.4 1,-0.2 5,-0.2 0.908 107.4 49.9 -52.3 -46.0 36.5 42.5 223.2 330 330 A R H X S+ 0 0 173 -4,-1.7 4,-2.4 -5,-0.2 -1,-0.2 0.966 113.3 44.9 -55.4 -56.3 34.6 44.0 226.1 331 331 A E H X S+ 0 0 79 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.832 112.7 50.0 -60.7 -40.4 33.6 47.1 224.2 332 332 A V H X S+ 0 0 0 -4,-2.9 4,-3.1 2,-0.2 5,-0.2 0.955 111.2 48.3 -64.7 -53.0 32.6 45.2 221.0 333 333 A E H X S+ 0 0 89 -4,-2.4 4,-2.7 -5,-0.2 -2,-0.2 0.906 110.6 54.3 -48.1 -46.3 30.4 42.8 222.9 334 334 A S H X S+ 0 0 62 -4,-2.4 4,-1.9 -5,-0.2 -2,-0.2 0.897 111.8 42.4 -56.1 -48.1 28.9 45.9 224.6 335 335 A L H X S+ 0 0 13 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.861 111.8 54.0 -70.0 -38.5 28.0 47.5 221.3 336 336 A I H X S+ 0 0 16 -4,-3.1 4,-1.4 2,-0.2 -2,-0.2 0.942 109.2 50.4 -58.7 -45.2 26.8 44.2 219.8 337 337 A E H X S+ 0 0 104 -4,-2.7 4,-0.5 1,-0.2 3,-0.5 0.913 110.9 48.1 -56.2 -47.7 24.5 43.9 222.9 338 338 A Q H >< S+ 0 0 101 -4,-1.9 3,-0.6 1,-0.2 4,-0.4 0.797 107.8 56.2 -65.5 -30.2 23.2 47.5 222.3 339 339 A L H >X S+ 0 0 2 -4,-2.0 4,-2.0 1,-0.2 3,-0.7 0.785 95.0 66.5 -71.6 -28.5 22.6 46.7 218.6 340 340 A K H 3< S+ 0 0 103 -4,-1.4 -1,-0.2 -3,-0.5 -2,-0.2 0.740 86.1 73.3 -63.7 -26.1 20.3 43.8 219.4 341 341 A V T << S+ 0 0 105 -3,-0.6 -1,-0.2 -4,-0.5 -2,-0.2 0.884 116.4 14.3 -57.1 -46.2 17.8 46.2 220.9 342 342 A K T <4 S+ 0 0 143 -3,-0.7 -1,-0.2 -4,-0.4 -2,-0.2 0.665 143.7 21.0-105.5 -23.1 16.6 47.6 217.5 343 343 A S X + 0 0 4 -4,-2.0 4,-1.5 1,-0.1 -1,-0.2 -0.720 55.6 178.6-151.3 91.5 18.1 45.0 215.1 344 344 A P H > S+ 0 0 92 0, 0.0 4,-0.6 0, 0.0 -4,-0.1 0.815 86.9 49.2 -64.5 -29.0 19.0 41.5 216.5 345 345 A T H > S+ 0 0 22 2,-0.2 4,-1.9 1,-0.2 -284,-0.1 0.806 106.6 50.5 -83.1 -37.7 20.1 40.3 213.0 346 346 A F H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.876 108.2 57.1 -65.2 -37.3 22.4 43.2 212.1 347 347 A A H X S+ 0 0 0 -4,-1.5 4,-1.5 1,-0.2 -2,-0.2 0.790 104.4 51.5 -61.4 -33.9 24.0 42.7 215.5 348 348 A E H X S+ 0 0 117 -4,-0.6 4,-2.3 2,-0.2 -1,-0.2 0.904 107.2 52.6 -68.1 -43.3 24.7 39.1 214.4 349 349 A S H X S+ 0 0 3 -4,-1.9 4,-2.7 1,-0.2 -2,-0.2 0.914 110.2 47.9 -58.1 -42.7 26.3 40.5 211.2 350 350 A V H X S+ 0 0 0 -4,-2.3 4,-2.8 2,-0.2 -1,-0.2 0.845 108.7 55.1 -65.4 -35.4 28.5 42.7 213.3 351 351 A A H X S+ 0 0 27 -4,-1.5 4,-2.6 2,-0.2 -2,-0.2 0.894 110.5 45.4 -62.3 -41.5 29.3 39.7 215.5 352 352 A V H X S+ 0 0 46 -4,-2.3 4,-2.5 2,-0.2 5,-0.2 0.934 111.4 51.4 -67.3 -49.9 30.5 37.8 212.3 353 353 A V H X S+ 0 0 5 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.934 112.9 48.2 -51.3 -48.7 32.5 40.8 211.1 354 354 A W H X S+ 0 0 15 -4,-2.8 4,-3.6 2,-0.2 5,-0.3 0.943 109.0 50.1 -59.1 -54.0 34.1 41.0 214.5 355 355 A E H X S+ 0 0 111 -4,-2.6 4,-2.6 1,-0.2 5,-0.2 0.927 111.6 49.5 -53.6 -48.9 35.0 37.2 214.8 356 356 A K H X S+ 0 0 95 -4,-2.5 4,-0.7 1,-0.2 -1,-0.2 0.904 116.4 42.9 -52.1 -46.4 36.6 37.3 211.3 357 357 A T H < S+ 0 0 2 -4,-2.0 3,-0.4 -5,-0.2 -2,-0.2 0.908 115.2 49.4 -67.4 -44.5 38.6 40.4 212.3 358 358 A H H < S+ 0 0 60 -4,-3.6 -2,-0.2 1,-0.2 -1,-0.2 0.865 115.8 41.2 -63.4 -40.2 39.5 39.0 215.7 359 359 A K H < S+ 0 0 147 -4,-2.6 -1,-0.2 -5,-0.3 -2,-0.2 0.522 87.9 119.0 -91.5 -7.5 40.7 35.6 214.5 360 360 A R < + 0 0 24 -4,-0.7 -3,-0.0 -3,-0.4 -4,-0.0 -0.202 29.7 171.5 -64.9 148.2 42.6 36.9 211.4 361 361 A K 0 0 166 -100,-0.1 -1,-0.1 -99,-0.0 -4,-0.0 0.204 360.0 360.0-129.9 6.7 46.3 36.3 211.0 362 362 A K 0 0 56 -99,-0.0 -100,-0.1 -105,-0.0 -112,-0.0 -0.216 360.0 360.0 44.5 360.0 46.3 37.5 207.4 363 !* 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 0.0 364 1 B M > 0 0 187 0, 0.0 4,-1.7 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0 134.3 38.2 92.0 184.7 365 2 B A H > + 0 0 65 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.876 360.0 50.8 -59.8 -46.5 35.2 92.1 187.1 366 3 B S H > S+ 0 0 18 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.837 106.7 57.3 -67.1 -33.0 33.7 88.7 186.3 367 4 B M H > S+ 0 0 57 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.944 108.9 44.7 -56.1 -52.3 37.2 87.2 187.0 368 5 B E H X S+ 0 0 129 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.867 111.0 53.8 -65.9 -36.7 37.3 88.7 190.4 369 6 B R H X S+ 0 0 128 -4,-2.3 4,-1.1 2,-0.2 -1,-0.2 0.928 109.9 48.8 -59.1 -46.3 33.6 87.6 191.1 370 7 B F H >X S+ 0 0 0 -4,-2.6 4,-1.3 1,-0.2 3,-0.6 0.921 110.5 50.3 -55.9 -50.1 34.7 84.0 190.1 371 8 B L H 3X S+ 0 0 37 -4,-2.6 4,-1.5 1,-0.2 -1,-0.2 0.825 102.8 61.3 -58.8 -33.8 37.7 84.3 192.5 372 9 B S H 3X S+ 0 0 57 -4,-2.0 4,-1.6 1,-0.2 -1,-0.2 0.844 102.2 51.0 -64.8 -32.4 35.5 85.4 195.3 373 10 B V H S+ 0 0 29 -4,-1.8 4,-2.4 -5,-0.2 5,-0.8 0.826 104.9 55.2 -68.5 -31.8 34.8 71.6 207.5 385 22 B L H X5S+ 0 0 0 -4,-1.4 6,-2.2 3,-0.2 4,-0.7 0.884 112.2 43.3 -69.9 -37.2 38.2 70.1 208.1 386 23 B Q H X5S+ 0 0 143 -4,-1.6 4,-0.7 4,-0.2 -2,-0.2 0.959 122.9 35.8 -66.7 -52.9 38.5 71.8 211.5 387 24 B S H <5S+ 0 0 96 -4,-2.6 -2,-0.2 1,-0.2 -3,-0.2 0.733 133.7 21.0 -81.7 -23.3 34.9 71.0 212.6 388 25 B K H <5S+ 0 0 102 -4,-2.4 -3,-0.2 -5,-0.2 -1,-0.2 0.643 126.0 43.0-116.4 -20.3 34.3 67.5 211.1 389 26 B Y H < - 0 0 25 -2,-0.1 4,-2.2 1,-0.1 5,-0.2 -0.550 25.0-105.4 -94.4 163.3 45.1 70.8 213.2 393 30 B P H > S+ 0 0 105 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.856 116.8 52.8 -58.4 -36.6 46.0 74.4 212.3 394 31 B N H > S+ 0 0 53 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.877 111.7 42.6 -69.0 -44.8 49.3 73.4 210.6 395 32 B R H > S+ 0 0 6 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.805 111.1 57.0 -71.1 -32.9 47.8 70.8 208.3 396 33 B A H X S+ 0 0 20 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.912 109.5 46.7 -60.2 -41.0 44.9 73.2 207.6 397 34 B R H X S+ 0 0 84 -4,-2.0 4,-2.7 2,-0.2 5,-0.2 0.926 110.5 51.9 -62.8 -47.5 47.6 75.7 206.5 398 35 B Y H X S+ 0 0 6 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.932 112.6 44.5 -55.6 -50.1 49.4 73.0 204.4 399 36 B L H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.797 110.5 55.7 -68.2 -30.6 46.1 72.1 202.6 400 37 B R H X S+ 0 0 99 -4,-1.7 4,-2.4 2,-0.2 -1,-0.2 0.936 111.8 42.4 -63.9 -48.8 45.3 75.8 202.1 401 38 B I H X S+ 0 0 20 -4,-2.7 4,-2.4 2,-0.2 5,-0.2 0.856 112.6 54.4 -67.0 -35.5 48.6 76.4 200.4 402 39 B M H X S+ 0 0 0 -4,-2.3 4,-2.5 -5,-0.2 5,-0.3 0.963 109.9 47.5 -60.9 -49.0 48.2 73.2 198.4 403 40 B M H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 5,-0.4 0.926 113.5 47.5 -55.3 -53.5 44.8 74.4 197.2 404 41 B D H X S+ 0 0 54 -4,-2.4 4,-1.5 1,-0.2 -1,-0.2 0.865 115.6 44.3 -55.8 -43.5 46.1 77.8 196.2 405 42 B T H < S+ 0 0 30 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.884 120.9 38.5 -73.6 -37.3 49.1 76.4 194.4 406 43 B T H < S+ 0 0 11 -4,-2.5 -2,-0.2 -5,-0.2 -3,-0.2 0.798 126.2 33.4 -87.8 -29.1 47.3 73.7 192.5 407 44 B C H < S+ 0 0 0 -4,-2.7 3,-0.3 -5,-0.3 -3,-0.2 0.709 110.7 61.9-100.9 -23.1 44.1 75.6 191.7 408 45 B L S < S+ 0 0 43 -4,-1.5 3,-0.1 -5,-0.4 4,-0.0 -0.558 78.5 48.8-104.7 166.9 45.2 79.2 191.2 409 46 B G S S+ 0 0 55 1,-0.2 -1,-0.2 -2,-0.2 -4,-0.1 0.332 82.7 108.2 92.3 -5.6 47.5 80.9 188.7 410 47 B G S S- 0 0 23 -3,-0.3 -1,-0.2 1,-0.1 -3,-0.0 -0.000 86.5 -98.0 -86.3-164.4 46.1 79.4 185.5 411 48 B K - 0 0 73 -3,-0.1 -1,-0.1 -2,-0.0 5,-0.1 0.686 41.5-139.6 -87.6 -18.7 44.0 81.1 182.9 412 49 B Y > + 0 0 31 3,-0.1 4,-2.7 39,-0.1 5,-0.3 0.751 50.8 147.7 61.4 28.5 40.8 79.7 184.4 413 50 B F H > + 0 0 36 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.917 69.7 47.6 -54.3 -48.8 39.5 79.0 180.8 414 51 B R H > S+ 0 0 12 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.943 116.2 41.9 -61.4 -50.2 37.5 75.9 182.0 415 52 B G H > S+ 0 0 0 1,-0.2 4,-1.1 2,-0.2 3,-0.5 0.917 115.6 47.8 -64.7 -47.8 35.9 77.6 185.0 416 53 B M H X S+ 0 0 18 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.763 102.1 66.8 -65.1 -26.3 35.1 80.9 183.3 417 54 B T H X S+ 0 0 8 -4,-1.5 4,-2.4 -5,-0.3 -1,-0.2 0.911 100.2 48.0 -63.6 -41.0 33.6 79.0 180.3 418 55 B V H X S+ 0 0 0 -4,-1.1 4,-1.9 -3,-0.5 -1,-0.2 0.858 111.1 51.5 -69.3 -32.7 30.8 77.7 182.5 419 56 B V H X S+ 0 0 7 -4,-1.1 4,-2.8 2,-0.2 -2,-0.2 0.919 110.8 49.1 -63.6 -45.0 30.2 81.3 183.8 420 57 B N H X S+ 0 0 42 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.911 108.8 51.6 -62.3 -45.2 30.1 82.6 180.2 421 58 B V H X S+ 0 0 0 -4,-2.4 4,-1.6 2,-0.2 -1,-0.2 0.933 113.6 44.5 -57.8 -47.3 27.6 79.9 179.1 422 59 B A H X S+ 0 0 0 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.918 110.4 53.6 -64.8 -47.2 25.3 80.7 181.9 423 60 B E H X S+ 0 0 62 -4,-2.8 4,-1.5 1,-0.2 -1,-0.2 0.855 106.4 55.6 -52.4 -38.7 25.6 84.5 181.4 424 61 B G H < S+ 0 0 19 -4,-2.1 4,-0.3 1,-0.2 -1,-0.2 0.880 110.7 42.5 -66.0 -41.9 24.6 84.0 177.8 425 62 B F H >X S+ 0 0 18 -4,-1.6 3,-1.1 -3,-0.2 4,-0.7 0.862 109.2 58.2 -69.7 -37.3 21.4 82.2 178.7 426 63 B L H >< S+ 0 0 22 -4,-2.4 3,-0.7 1,-0.2 -2,-0.2 0.855 98.0 61.6 -60.7 -36.4 20.5 84.7 181.5 427 64 B A T 3< S+ 0 0 87 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.661 115.4 30.4 -65.3 -20.6 20.6 87.6 179.0 428 65 B V T <4 S+ 0 0 100 -3,-1.1 2,-0.3 -4,-0.3 -1,-0.2 0.350 108.7 78.0-120.9 2.1 17.7 86.2 176.9 429 66 B T S << S- 0 0 61 -3,-0.7 2,-0.6 -4,-0.7 -4,-0.0 -0.760 77.0-113.2-118.3 157.6 15.6 84.3 179.4 430 67 B Q + 0 0 171 -2,-0.3 2,-0.3 -3,-0.0 -3,-0.1 -0.827 46.3 154.0 -95.4 120.3 13.1 85.2 182.1 431 68 B H - 0 0 44 -2,-0.6 2,-0.2 -5,-0.1 -2,-0.0 -0.984 46.9-107.7-139.4 150.6 14.2 84.6 185.7 432 69 B D > - 0 0 119 -2,-0.3 4,-2.1 1,-0.1 3,-0.3 -0.531 42.0-113.6 -62.8 144.9 13.5 85.9 189.2 433 70 B E H > S+ 0 0 131 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.852 119.6 55.1 -52.9 -39.0 16.5 87.9 190.4 434 71 B A H > S+ 0 0 64 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.918 107.0 50.4 -59.4 -44.6 17.1 85.3 193.1 435 72 B T H > S+ 0 0 26 -3,-0.3 4,-2.4 2,-0.2 -2,-0.2 0.845 108.1 53.3 -61.6 -38.3 17.2 82.6 190.3 436 73 B K H X S+ 0 0 54 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.961 111.3 45.6 -59.3 -50.6 19.7 84.8 188.4 437 74 B E H X S+ 0 0 128 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.904 113.1 49.7 -62.2 -44.4 21.9 85.0 191.5 438 75 B R H X S+ 0 0 111 -4,-2.7 4,-3.4 2,-0.2 5,-0.2 0.926 110.6 48.9 -58.7 -49.4 21.6 81.2 192.1 439 76 B I H X S+ 0 0 10 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.856 113.9 46.9 -60.7 -36.5 22.5 80.2 188.5 440 77 B L H X S+ 0 0 53 -4,-2.0 4,-1.7 2,-0.2 -1,-0.2 0.824 113.7 47.4 -77.7 -34.5 25.5 82.5 188.5 441 78 B H H X S+ 0 0 54 -4,-2.1 4,-2.7 -5,-0.2 -2,-0.2 0.946 113.2 48.2 -69.3 -49.4 26.7 81.2 191.9 442 79 B D H X S+ 0 0 1 -4,-3.4 4,-3.0 1,-0.2 -2,-0.2 0.852 108.9 56.4 -51.2 -40.5 26.2 77.6 190.7 443 80 B A H X S+ 0 0 0 -4,-1.8 4,-2.5 -5,-0.2 -1,-0.2 0.935 109.2 44.2 -58.7 -49.7 28.1 78.5 187.6 444 81 B C H X S+ 0 0 11 -4,-1.7 4,-2.7 2,-0.2 -2,-0.2 0.945 113.9 49.3 -63.5 -50.7 31.1 79.7 189.6 445 82 B V H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.925 113.6 47.0 -55.4 -47.4 30.9 76.6 191.9 446 83 B G H X S+ 0 0 0 -4,-3.0 4,-1.7 2,-0.2 -1,-0.2 0.870 109.7 54.1 -59.9 -40.5 30.7 74.3 188.9 447 84 B G H X S+ 0 0 0 -4,-2.5 4,-2.1 -5,-0.2 -2,-0.2 0.929 109.5 48.0 -56.7 -45.5 33.6 76.2 187.3 448 85 B W H X S+ 0 0 0 -4,-2.7 4,-2.8 1,-0.2 5,-0.3 0.875 103.9 59.6 -69.7 -35.0 35.6 75.6 190.4 449 86 B M H X S+ 0 0 0 -4,-2.4 4,-1.6 1,-0.2 -1,-0.2 0.910 109.8 44.9 -50.8 -44.5 34.7 71.9 190.4 450 87 B I H X S+ 0 0 0 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.897 111.2 51.7 -72.8 -37.6 36.3 71.8 187.0 451 88 B E H X S+ 0 0 2 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.855 110.4 48.8 -68.3 -35.2 39.4 73.8 188.0 452 89 B F H X S+ 0 0 0 -4,-2.8 4,-2.5 2,-0.2 -1,-0.2 0.833 108.4 55.6 -67.9 -34.6 39.9 71.5 191.0 453 90 B L H X S+ 0 0 0 -4,-1.6 4,-2.5 -5,-0.3 -2,-0.2 0.923 110.4 43.8 -63.9 -44.8 39.6 68.5 188.6 454 91 B Q H X S+ 0 0 20 -4,-2.3 4,-3.5 2,-0.2 5,-0.3 0.910 109.6 57.2 -63.7 -41.5 42.4 70.0 186.4 455 92 B A H X S+ 0 0 1 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.935 108.7 47.4 -50.8 -49.2 44.4 70.7 189.6 456 93 B H H X S+ 0 0 2 -4,-2.5 4,-2.1 1,-0.2 5,-0.3 0.948 114.6 45.4 -55.6 -54.0 44.1 67.0 190.4 457 94 B Y H X S+ 0 0 7 -4,-2.5 4,-3.0 1,-0.2 -2,-0.2 0.878 112.2 51.0 -61.7 -38.2 45.1 66.0 186.9 458 95 B L H X S+ 0 0 17 -4,-3.5 4,-2.3 2,-0.2 -1,-0.2 0.863 108.6 51.7 -70.9 -34.8 48.0 68.5 186.7 459 96 B V H X S+ 0 0 7 -4,-2.2 4,-1.0 -5,-0.3 -2,-0.2 0.946 117.6 37.2 -65.2 -50.3 49.5 67.3 190.1 460 97 B E H X S+ 0 0 2 -4,-2.1 4,-2.4 1,-0.2 3,-0.5 0.931 115.9 54.9 -66.8 -43.1 49.5 63.6 189.1 461 98 B D H X S+ 0 0 21 -4,-3.0 4,-2.7 -5,-0.3 -2,-0.2 0.873 104.3 53.1 -60.0 -40.4 50.5 64.5 185.5 462 99 B D H <>S+ 0 0 4 -4,-2.3 5,-1.7 1,-0.2 4,-0.4 0.800 111.0 47.5 -65.1 -31.2 53.6 66.5 186.5 463 100 B I H ><5S+ 0 0 22 -4,-1.0 3,-0.5 -3,-0.5 -2,-0.2 0.901 114.1 47.1 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Q H X S+ 0 0 14 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.854 107.6 57.7 -68.8 -38.3 46.2 70.1 172.7 611 248 B V H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.938 107.0 49.7 -52.5 -48.2 48.0 70.6 169.4 612 249 B Q H X S+ 0 0 13 -4,-2.3 4,-3.1 1,-0.2 -2,-0.2 0.915 108.8 52.9 -56.9 -45.8 48.9 74.1 170.6 613 250 B D H X S+ 0 0 27 -4,-1.7 4,-2.3 1,-0.2 -1,-0.2 0.904 108.4 49.3 -58.0 -45.8 50.2 72.7 173.9 614 251 B D H X S+ 0 0 5 -4,-2.5 4,-0.7 2,-0.2 -1,-0.2 0.904 113.4 46.6 -61.4 -43.8 52.4 70.2 172.1 615 252 B V H >X S+ 0 0 33 -4,-2.3 4,-2.4 1,-0.2 3,-1.2 0.942 112.4 49.6 -63.0 -46.4 53.9 73.0 169.9 616 253 B M H 3X S+ 0 0 14 -4,-3.1 4,-1.5 1,-0.3 -2,-0.2 0.873 99.2 68.2 -61.8 -36.5 54.4 75.3 172.8 617 254 B D H 3< S+ 0 0 18 -4,-2.3 12,-0.3 1,-0.2 -1,-0.3 0.797 114.7 26.9 -50.5 -34.5 56.1 72.5 174.7 618 255 B C H << S+ 0 0 10 -3,-1.2 -1,-0.2 -4,-0.7 -2,-0.2 0.813 134.3 26.9 -99.4 -36.2 59.0 72.7 172.3 619 256 B F H < S+ 0 0 91 -4,-2.4 -3,-0.2 -5,-0.1 -2,-0.2 0.763 92.3 86.5-108.5 -31.4 58.9 76.3 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