==== 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 CHAPERONE 06-APR-09 3GYZ . COMPND 2 MOLECULE: CHAPERONE PROTEIN IPGC; . SOURCE 2 ORGANISM_SCIENTIFIC: SHIGELLA FLEXNERI; . AUTHOR M.LUNELLI,R.K.LOKAREDDY,A.ZYCHLINSKY,M.KOLBE . 286 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15100.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 229 80.1 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 . 11 3.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 187 65.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 2.8 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 1 0 0 0 0 0 0 2 2 2 8 0 2 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 9 A E > 0 0 139 0, 0.0 4,-1.2 0, 0.0 157,-0.1 0.000 360.0 360.0 360.0-134.7 37.6 17.9 7.2 2 10 A S H > + 0 0 80 2,-0.2 4,-1.7 3,-0.1 5,-0.1 0.687 360.0 66.6 -79.2 -17.7 35.5 15.5 9.4 3 11 A I H > S+ 0 0 33 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.958 96.1 47.1 -60.7 -52.6 37.8 13.4 7.2 4 12 A S H > S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.891 112.1 51.7 -62.2 -36.0 41.0 14.6 8.9 5 13 A T H X S+ 0 0 51 -4,-1.2 4,-2.9 1,-0.2 5,-0.3 0.884 107.2 53.3 -64.9 -34.3 39.3 14.0 12.3 6 14 A A H X S+ 0 0 39 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.937 109.9 47.2 -70.9 -42.9 38.4 10.5 11.3 7 15 A V H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.965 115.7 44.0 -59.1 -52.2 42.1 9.7 10.3 8 16 A I H X S+ 0 0 11 -4,-2.2 4,-2.9 1,-0.2 -2,-0.2 0.903 113.6 50.6 -65.4 -41.7 43.5 11.2 13.6 9 17 A D H X S+ 0 0 96 -4,-2.9 4,-1.0 2,-0.2 -1,-0.2 0.920 109.8 50.3 -61.2 -39.8 40.9 9.5 15.8 10 18 A A H >< S+ 0 0 4 -4,-2.3 3,-0.8 -5,-0.3 4,-0.4 0.945 113.7 45.2 -64.3 -42.1 41.5 6.2 14.2 11 19 A I H >< S+ 0 0 1 -4,-2.4 3,-1.0 1,-0.2 -2,-0.2 0.897 111.5 53.6 -68.2 -36.9 45.3 6.6 14.8 12 20 A N H 3< S+ 0 0 97 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.566 90.2 76.2 -77.2 -7.7 44.7 7.8 18.4 13 21 A S T << S+ 0 0 80 -4,-1.0 2,-0.4 -3,-0.8 -1,-0.2 0.789 83.4 75.0 -77.4 -17.9 42.6 4.8 19.4 14 22 A G S < S- 0 0 21 -3,-1.0 2,-0.0 -4,-0.4 207,-0.0 -0.769 84.5-121.2 -96.0 132.7 45.6 2.5 19.7 15 23 A A - 0 0 78 -2,-0.4 2,-0.2 3,-0.0 -2,-0.1 -0.316 27.4-153.8 -58.0 139.5 48.0 2.7 22.7 16 24 A T > - 0 0 43 1,-0.1 4,-1.0 -4,-0.1 41,-0.1 -0.716 30.5-102.2-109.6 169.5 51.7 3.4 21.8 17 25 A L T >4 S+ 0 0 89 -2,-0.2 3,-0.6 1,-0.2 4,-0.5 0.917 125.2 44.9 -49.9 -48.8 54.9 2.5 23.8 18 26 A K G >4 S+ 0 0 100 39,-0.4 3,-1.2 1,-0.2 -1,-0.2 0.903 106.4 62.7 -70.1 -37.8 55.1 6.1 25.0 19 27 A D G 34 S+ 0 0 93 1,-0.2 -1,-0.2 2,-0.1 -2,-0.2 0.714 95.4 57.1 -54.7 -35.4 51.4 6.3 25.9 20 28 A I G << S- 0 0 102 -4,-1.0 -1,-0.2 -3,-0.6 -2,-0.2 0.710 94.6-142.1 -81.8 -11.1 51.4 3.6 28.5 21 29 A N < + 0 0 140 -3,-1.2 -3,-0.1 -4,-0.5 -2,-0.1 0.954 53.2 136.8 54.8 63.7 54.1 5.3 30.6 22 30 A A + 0 0 80 -5,-0.5 -4,-0.1 1,-0.1 -1,-0.1 0.505 51.8 71.4-116.1 -16.1 55.9 2.2 31.7 23 31 A I S S- 0 0 52 -6,-0.2 -1,-0.1 -5,-0.1 -2,-0.1 -0.920 83.0-124.1-108.9 121.8 59.4 3.5 31.2 24 32 A P > - 0 0 67 0, 0.0 4,-2.0 0, 0.0 3,-0.4 -0.209 18.8-123.3 -57.4 150.8 60.8 6.1 33.6 25 33 A D H > S+ 0 0 132 1,-0.2 4,-2.7 2,-0.2 5,-0.1 0.901 109.8 53.2 -63.9 -43.2 62.1 9.4 32.1 26 34 A D H > S+ 0 0 101 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.788 105.9 53.2 -64.0 -30.1 65.6 9.1 33.5 27 35 A M H > S+ 0 0 93 -3,-0.4 4,-3.0 2,-0.2 5,-0.2 0.944 109.5 49.7 -66.3 -47.9 66.0 5.6 32.1 28 36 A M H X S+ 0 0 10 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.930 112.3 48.3 -53.1 -46.5 65.1 7.1 28.7 29 37 A D H X S+ 0 0 90 -4,-2.7 4,-3.2 1,-0.2 -1,-0.2 0.912 110.9 50.1 -60.7 -44.6 67.7 9.9 29.3 30 38 A D H X S+ 0 0 89 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.897 109.9 50.3 -60.8 -41.5 70.3 7.3 30.3 31 39 A I H X S+ 0 0 43 -4,-3.0 4,-2.7 2,-0.2 5,-0.2 0.934 112.9 46.7 -63.5 -45.5 69.6 5.3 27.1 32 40 A Y H X S+ 0 0 60 -4,-2.5 4,-2.7 -5,-0.2 5,-0.2 0.941 111.4 51.5 -58.7 -47.0 70.0 8.4 25.0 33 41 A S H X S+ 0 0 53 -4,-3.2 4,-2.5 1,-0.2 -2,-0.2 0.889 113.5 44.6 -58.7 -41.1 73.2 9.5 26.8 34 42 A Y H X S+ 0 0 136 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.897 112.7 50.1 -70.3 -43.0 74.8 6.1 26.2 35 43 A A H X S+ 0 0 0 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.933 113.5 46.8 -57.1 -49.1 73.6 5.8 22.6 36 44 A Y H X S+ 0 0 110 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.931 113.3 48.7 -60.9 -46.7 75.1 9.3 22.0 37 45 A D H X S+ 0 0 66 -4,-2.5 4,-0.5 1,-0.2 6,-0.2 0.847 108.8 53.0 -59.5 -38.1 78.4 8.4 23.8 38 46 A F H ><>S+ 0 0 32 -4,-2.5 5,-2.5 2,-0.2 3,-0.6 0.917 110.2 49.2 -64.1 -40.3 78.7 5.2 21.9 39 47 A Y H ><5S+ 0 0 58 -4,-2.1 3,-2.3 1,-0.2 -2,-0.2 0.979 110.9 47.5 -57.1 -64.5 78.3 7.2 18.7 40 48 A N H 3<5S+ 0 0 96 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.490 112.2 52.7 -47.0 -15.3 81.0 9.9 19.7 41 49 A K T <<5S- 0 0 144 -3,-0.6 -1,-0.3 -4,-0.5 -2,-0.2 0.270 118.7-109.7-115.2 7.6 83.3 7.1 20.7 42 50 A G T < 5S+ 0 0 54 -3,-2.3 2,-1.6 1,-0.2 3,-0.2 0.467 75.1 134.3 82.6 4.2 83.0 5.3 17.4 43 51 A R >< + 0 0 106 -5,-2.5 4,-1.9 -6,-0.2 -1,-0.2 -0.619 25.9 164.8 -89.6 85.3 81.0 2.3 18.6 44 52 A I H > + 0 0 31 -2,-1.6 4,-3.0 1,-0.2 -1,-0.2 0.871 60.1 55.4 -78.7 -42.0 78.6 2.5 15.7 45 53 A E H > S+ 0 0 154 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.877 113.3 43.5 -60.9 -39.2 76.8 -0.8 15.7 46 54 A E H > S+ 0 0 70 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.909 113.4 50.9 -75.3 -41.3 75.7 -0.4 19.3 47 55 A A H X S+ 0 0 0 -4,-1.9 4,-2.7 1,-0.2 5,-0.3 0.918 108.6 54.3 -60.0 -39.5 74.8 3.3 18.8 48 56 A E H X S+ 0 0 25 -4,-3.0 4,-2.7 1,-0.2 5,-0.2 0.927 107.4 48.7 -61.0 -47.8 72.7 2.2 15.8 49 57 A V H X S+ 0 0 86 -4,-1.7 4,-2.5 1,-0.2 -1,-0.2 0.930 115.8 43.1 -57.8 -49.1 70.7 -0.4 17.8 50 58 A F H X S+ 0 0 85 -4,-2.1 4,-2.9 2,-0.2 -1,-0.2 0.857 112.3 50.8 -70.6 -34.6 69.9 2.0 20.6 51 59 A F H X S+ 0 0 3 -4,-2.7 4,-2.8 2,-0.2 -1,-0.2 0.907 110.6 51.6 -71.3 -37.1 69.1 5.0 18.5 52 60 A R H X S+ 0 0 66 -4,-2.7 4,-2.3 -5,-0.3 -2,-0.2 0.948 108.7 50.1 -62.9 -44.2 66.7 2.8 16.4 53 61 A F H X S+ 0 0 77 -4,-2.5 4,-2.7 1,-0.2 3,-0.3 0.962 110.9 51.0 -53.0 -50.1 65.0 1.6 19.6 54 62 A L H X S+ 0 0 0 -4,-2.9 4,-2.6 1,-0.2 -2,-0.2 0.913 107.0 52.6 -56.7 -44.7 64.7 5.3 20.6 55 63 A C H < S+ 0 0 6 -4,-2.8 -1,-0.2 9,-0.2 -2,-0.2 0.837 110.1 48.6 -59.9 -33.5 63.1 6.2 17.2 56 64 A I H < S+ 0 0 58 -4,-2.3 3,-0.5 -3,-0.3 -2,-0.2 0.944 111.0 50.2 -73.4 -36.6 60.5 3.5 17.7 57 65 A Y H < S+ 0 0 23 -4,-2.7 -39,-0.4 1,-0.3 2,-0.2 0.883 135.7 5.3 -69.5 -42.2 59.7 4.6 21.2 58 66 A D >< + 0 0 26 -4,-2.6 3,-1.7 -5,-0.2 -1,-0.3 -0.621 64.3 174.5-142.3 86.5 59.3 8.3 20.2 59 67 A F T 3 S+ 0 0 9 -3,-0.5 -4,-0.1 1,-0.3 -1,-0.1 0.607 79.6 64.1 -62.2 -17.1 59.5 8.8 16.4 60 68 A Y T 3 S+ 0 0 50 4,-0.0 2,-0.9 -5,-0.0 -1,-0.3 0.310 75.9 102.5 -95.1 11.8 58.6 12.5 16.9 61 69 A N X> - 0 0 42 -3,-1.7 4,-2.0 1,-0.2 3,-1.4 -0.827 59.8-158.5 -98.0 108.0 61.7 13.3 18.9 62 70 A V H 3> S+ 0 0 27 -2,-0.9 4,-2.9 1,-0.3 5,-0.3 0.795 89.2 59.1 -53.6 -38.9 64.1 15.1 16.6 63 71 A D H 3> S+ 0 0 89 2,-0.2 4,-1.3 1,-0.2 -1,-0.3 0.819 107.1 47.4 -60.4 -32.8 67.1 14.2 18.6 64 72 A Y H <> S+ 0 0 17 -3,-1.4 4,-2.1 -6,-0.2 -9,-0.2 0.927 114.8 45.6 -72.2 -48.7 66.4 10.5 18.2 65 73 A I H X S+ 0 0 0 -4,-2.0 4,-3.1 2,-0.2 -2,-0.2 0.927 114.4 47.1 -59.3 -45.4 65.8 10.9 14.4 66 74 A M H X S+ 0 0 45 -4,-2.9 4,-2.6 1,-0.2 5,-0.2 0.880 109.0 57.7 -71.4 -34.4 69.0 13.1 13.9 67 75 A G H X S+ 0 0 13 -4,-1.3 4,-1.5 -5,-0.3 -1,-0.2 0.947 112.9 36.6 -58.3 -49.3 70.9 10.6 16.0 68 76 A L H X S+ 0 0 7 -4,-2.1 4,-2.7 2,-0.2 5,-0.2 0.897 114.4 57.0 -74.6 -37.1 70.1 7.6 13.7 69 77 A A H X S+ 0 0 0 -4,-3.1 4,-2.5 1,-0.2 -2,-0.2 0.932 107.0 49.6 -55.7 -41.9 70.3 9.8 10.5 70 78 A A H X S+ 0 0 21 -4,-2.6 4,-2.8 1,-0.2 -1,-0.2 0.871 108.4 53.3 -68.2 -39.5 73.9 10.8 11.5 71 79 A I H X S+ 0 0 0 -4,-1.5 4,-2.1 -5,-0.2 -1,-0.2 0.953 109.2 47.9 -58.8 -49.0 74.8 7.1 12.0 72 80 A Y H <>S+ 0 0 3 -4,-2.7 5,-3.1 2,-0.2 4,-0.3 0.932 111.5 52.0 -57.7 -41.4 73.5 6.2 8.5 73 81 A Q H ><5S+ 0 0 35 -4,-2.5 3,-2.0 1,-0.2 -2,-0.2 0.968 110.5 46.9 -57.7 -53.0 75.5 9.1 7.1 74 82 A I H 3<5S+ 0 0 89 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.803 111.6 51.5 -59.1 -33.5 78.7 7.9 8.8 75 83 A K T 3<5S- 0 0 83 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.415 117.0-116.6 -81.3 1.0 78.0 4.4 7.6 76 84 A E T < 5S+ 0 0 116 -3,-2.0 2,-1.2 -4,-0.3 -3,-0.2 0.779 71.8 138.5 64.4 30.8 77.6 5.8 4.0 77 85 A Q >< + 0 0 49 -5,-3.1 4,-2.4 1,-0.2 -1,-0.2 -0.652 25.5 168.7 -98.4 74.9 74.0 4.6 3.9 78 86 A F H > + 0 0 24 -2,-1.2 4,-2.5 1,-0.2 -1,-0.2 0.824 65.6 50.4 -69.4 -35.8 73.2 7.9 2.2 79 87 A Q H > S+ 0 0 80 2,-0.2 4,-2.9 -3,-0.2 -1,-0.2 0.964 113.5 45.6 -66.5 -49.7 69.7 7.2 1.0 80 88 A Q H > S+ 0 0 55 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.904 113.4 50.7 -58.2 -41.0 68.5 6.0 4.5 81 89 A A H X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.2 -1,-0.2 0.940 111.1 48.5 -61.9 -46.5 70.3 9.0 6.1 82 90 A A H X S+ 0 0 2 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.880 108.8 53.9 -60.6 -42.9 68.5 11.3 3.7 83 91 A D H X S+ 0 0 6 -4,-2.9 4,-1.4 1,-0.2 -1,-0.2 0.927 112.6 42.9 -61.7 -41.4 65.1 9.7 4.4 84 92 A L H X S+ 0 0 2 -4,-2.1 4,-2.8 2,-0.2 -2,-0.2 0.866 109.3 57.0 -71.9 -33.1 65.5 10.2 8.2 85 93 A Y H X S+ 0 0 3 -4,-2.8 4,-2.9 1,-0.2 -1,-0.2 0.888 104.3 54.9 -64.3 -32.7 66.8 13.8 7.6 86 94 A A H X S+ 0 0 1 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.895 107.8 48.1 -66.7 -41.0 63.5 14.4 5.8 87 95 A V H X S+ 0 0 0 -4,-1.4 4,-2.4 2,-0.2 -2,-0.2 0.946 111.0 51.2 -60.1 -47.9 61.6 13.2 8.8 88 96 A A H X S+ 0 0 1 -4,-2.8 4,-2.0 1,-0.2 -2,-0.2 0.936 109.7 50.5 -56.1 -44.2 63.8 15.5 11.1 89 97 A F H < S+ 0 0 15 -4,-2.9 3,-0.3 1,-0.2 5,-0.3 0.939 110.5 48.2 -59.0 -46.9 63.1 18.5 8.8 90 98 A A H < S+ 0 0 2 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.872 115.5 45.0 -64.8 -33.6 59.4 17.8 9.0 91 99 A L H < S+ 0 0 13 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.792 102.1 92.9 -72.0 -27.1 59.5 17.5 12.7 92 100 A G S < S- 0 0 16 -4,-2.0 2,-1.2 -3,-0.3 -3,-0.0 -0.282 78.5-122.6 -87.2 160.8 61.7 20.5 13.1 93 101 A K S S- 0 0 129 1,-0.2 3,-0.1 -2,-0.1 -1,-0.1 -0.676 83.6 -51.9 -98.3 80.2 60.9 24.2 13.7 94 102 A N S S+ 0 0 138 -2,-1.2 2,-0.6 -5,-0.3 -1,-0.2 0.774 92.2 152.2 57.6 25.8 62.6 25.9 10.7 95 103 A D - 0 0 57 -6,-0.2 4,-0.3 -7,-0.2 -1,-0.2 -0.804 26.9-172.5 -92.8 126.5 65.8 24.1 11.5 96 104 A Y > + 0 0 31 -2,-0.6 4,-2.4 1,-0.2 5,-0.2 0.447 59.2 98.4-103.9 1.7 67.7 23.7 8.2 97 105 A T H > S+ 0 0 34 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.913 84.6 49.0 -52.8 -48.5 70.5 21.4 9.6 98 106 A P H > S+ 0 0 3 0, 0.0 4,-2.7 0, 0.0 -1,-0.2 0.891 109.6 53.9 -61.0 -36.3 68.8 18.2 8.3 99 107 A V H > S+ 0 0 1 -4,-0.3 4,-2.7 2,-0.2 -2,-0.2 0.933 108.4 49.8 -60.5 -39.2 68.3 19.9 4.8 100 108 A F H X S+ 0 0 2 -4,-2.4 4,-1.8 2,-0.2 -1,-0.2 0.938 111.5 46.4 -65.3 -50.2 72.0 20.7 4.8 101 109 A H H X S+ 0 0 45 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.893 108.8 56.7 -60.5 -35.9 73.0 17.1 5.7 102 110 A T H X S+ 0 0 6 -4,-2.7 4,-3.6 2,-0.2 5,-0.3 0.950 104.1 54.4 -56.6 -47.9 70.5 15.9 3.0 103 111 A G H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.920 107.9 48.1 -51.8 -46.5 72.4 18.0 0.5 104 112 A Q H X S+ 0 0 32 -4,-1.8 4,-2.4 1,-0.2 -1,-0.2 0.922 113.1 48.5 -63.4 -41.5 75.7 16.2 1.4 105 113 A C H X S+ 0 0 0 -4,-2.6 4,-1.4 2,-0.2 -2,-0.2 0.931 111.0 50.0 -60.3 -45.5 73.9 12.9 1.1 106 114 A Q H <>S+ 0 0 11 -4,-3.6 5,-2.8 2,-0.2 3,-0.3 0.910 109.2 52.4 -59.5 -39.5 72.4 13.8 -2.3 107 115 A L H ><5S+ 0 0 53 -4,-2.3 3,-1.6 1,-0.3 -1,-0.2 0.939 110.3 47.4 -66.1 -46.3 75.8 14.9 -3.5 108 116 A R H 3<5S+ 0 0 146 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.729 105.8 58.4 -65.7 -17.5 77.2 11.6 -2.5 109 117 A L T 3<5S- 0 0 62 -4,-1.4 -1,-0.3 -3,-0.3 -2,-0.2 0.164 120.2-111.9 -93.0 18.9 74.3 9.8 -4.2 110 118 A K T < 5S+ 0 0 193 -3,-1.6 -3,-0.2 1,-0.1 -2,-0.1 0.882 82.6 126.9 51.0 40.7 75.5 11.6 -7.4 111 119 A A >>< + 0 0 29 -5,-2.8 4,-2.5 -6,-0.1 3,-0.9 -0.454 25.5 165.0-115.6 65.1 72.3 13.7 -7.5 112 120 A P H 3> S+ 0 0 54 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.758 73.0 55.3 -54.7 -30.3 74.1 17.2 -7.7 113 121 A L H 3> S+ 0 0 114 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.903 110.6 44.6 -70.8 -40.8 70.8 18.9 -8.7 114 122 A K H <> S+ 0 0 76 -3,-0.9 4,-2.1 2,-0.2 -1,-0.2 0.935 112.9 51.7 -62.7 -47.1 69.1 17.6 -5.7 115 123 A A H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 5,-0.3 0.942 108.6 51.8 -51.4 -48.5 72.2 18.6 -3.6 116 124 A K H X S+ 0 0 53 -4,-2.7 4,-2.7 1,-0.2 -1,-0.2 0.871 107.1 52.2 -64.5 -36.8 72.1 22.1 -5.0 117 125 A E H X S+ 0 0 111 -4,-1.9 4,-2.5 2,-0.2 -1,-0.2 0.909 109.6 50.0 -64.7 -40.8 68.4 22.5 -4.1 118 126 A C H X S+ 0 0 17 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.966 113.9 43.6 -56.2 -55.4 69.1 21.5 -0.5 119 127 A F H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 5,-0.2 0.911 113.8 51.9 -62.7 -37.2 72.0 23.9 -0.1 120 128 A E H X S+ 0 0 82 -4,-2.7 4,-3.0 -5,-0.3 -1,-0.2 0.943 108.2 51.7 -64.0 -43.3 70.0 26.7 -1.9 121 129 A L H X S+ 0 0 52 -4,-2.5 4,-1.9 1,-0.2 5,-0.4 0.906 108.9 50.2 -60.1 -42.7 67.2 26.1 0.5 122 130 A V H X S+ 0 0 0 -4,-2.3 4,-2.9 2,-0.2 -1,-0.2 0.950 112.1 47.4 -59.0 -50.1 69.6 26.4 3.5 123 131 A I H < S+ 0 0 49 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.933 113.9 48.7 -57.0 -46.1 71.0 29.7 2.2 124 132 A Q H < S+ 0 0 131 -4,-3.0 -1,-0.2 -5,-0.2 -2,-0.2 0.838 129.1 14.2 -60.1 -39.1 67.5 31.1 1.5 125 133 A H H < S+ 0 0 92 -4,-1.9 -2,-0.2 -5,-0.2 2,-0.2 0.570 94.1 104.1-123.1 -17.5 65.9 30.2 4.9 126 134 A S < - 0 0 7 -4,-2.9 -31,-0.1 -5,-0.4 -32,-0.0 -0.490 43.9-165.4 -79.5 146.6 68.4 29.4 7.4 127 135 A N + 0 0 156 -2,-0.2 2,-0.7 4,-0.0 -1,-0.1 0.115 61.9 102.9-105.9 16.9 69.3 31.8 10.2 128 136 A D > - 0 0 73 -6,-0.2 4,-2.4 1,-0.2 5,-0.2 -0.899 55.3-162.9-109.2 112.0 72.4 29.8 11.2 129 137 A E H > S+ 0 0 118 -2,-0.7 4,-2.7 1,-0.2 5,-0.2 0.911 87.6 51.3 -64.5 -46.3 75.6 31.5 9.8 130 138 A K H > S+ 0 0 146 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.920 111.9 50.1 -58.0 -39.6 78.0 28.7 10.1 131 139 A L H > S+ 0 0 10 1,-0.2 4,-2.9 2,-0.2 -2,-0.2 0.925 110.0 48.8 -66.7 -44.6 75.5 26.5 8.3 132 140 A K H X S+ 0 0 48 -4,-2.4 4,-3.0 1,-0.2 -1,-0.2 0.859 108.1 55.4 -64.5 -36.5 75.0 29.0 5.4 133 141 A I H X S+ 0 0 104 -4,-2.7 4,-2.1 2,-0.2 -1,-0.2 0.910 110.9 43.8 -61.7 -45.8 78.7 29.3 5.0 134 142 A K H X S+ 0 0 84 -4,-2.1 4,-2.6 -5,-0.2 -2,-0.2 0.940 114.3 49.9 -63.2 -45.5 79.1 25.5 4.6 135 143 A A H X S+ 0 0 0 -4,-2.9 4,-2.7 2,-0.2 -2,-0.2 0.931 109.8 50.8 -59.8 -44.4 76.1 25.4 2.3 136 144 A Q H X S+ 0 0 76 -4,-3.0 4,-3.0 1,-0.2 -1,-0.2 0.918 109.5 52.0 -59.8 -42.2 77.5 28.4 0.1 137 145 A S H X S+ 0 0 69 -4,-2.1 4,-2.9 1,-0.2 -1,-0.2 0.954 109.6 47.7 -61.3 -50.2 80.8 26.5 -0.2 138 146 A Y H X S+ 0 0 78 -4,-2.6 4,-1.4 2,-0.2 -1,-0.2 0.916 111.5 51.0 -54.4 -47.2 79.2 23.4 -1.4 139 147 A L H >X S+ 0 0 22 -4,-2.7 4,-2.3 2,-0.2 3,-0.6 0.943 111.7 48.1 -54.6 -48.3 77.1 25.4 -3.9 140 148 A D H 3< S+ 0 0 87 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.914 111.2 49.8 -60.4 -43.3 80.4 27.0 -5.2 141 149 A A H 3< S+ 0 0 91 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.725 113.5 46.2 -66.1 -24.2 82.2 23.7 -5.5 142 150 A I H << 0 0 39 -4,-1.4 -2,-0.2 -3,-0.6 -1,-0.2 0.830 360.0 360.0 -89.3 -39.7 79.3 22.1 -7.4 143 151 A Q < 0 0 181 -4,-2.3 -1,-0.1 -5,-0.2 -2,-0.1 -0.213 360.0 360.0 58.5 360.0 78.8 25.0 -9.9 144 !* 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 0.0 145 9 B E 0 0 206 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-141.7 55.7 23.5 19.5 146 10 B S >> - 0 0 49 1,-0.1 4,-2.1 4,-0.0 3,-0.9 -0.333 360.0-127.1 -78.9 148.3 54.1 20.0 19.9 147 11 B I H 3> S+ 0 0 36 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.840 108.3 60.5 -59.6 -29.5 52.8 17.8 17.1 148 12 B S H 3> S+ 0 0 84 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.807 106.4 45.4 -72.4 -30.8 49.4 17.5 18.8 149 13 B T H <> S+ 0 0 59 -3,-0.9 4,-2.7 2,-0.2 5,-0.2 0.961 112.5 50.6 -69.1 -54.9 48.8 21.2 18.7 150 14 B A H X S+ 0 0 34 -4,-2.1 4,-2.7 1,-0.2 -2,-0.2 0.850 110.9 50.8 -49.3 -37.8 49.9 21.4 15.1 151 15 B V H X S+ 0 0 15 -4,-2.4 4,-2.8 2,-0.2 -1,-0.2 0.937 109.2 48.2 -71.3 -47.4 47.5 18.5 14.4 152 16 B I H X S+ 0 0 100 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.878 114.0 48.8 -57.1 -41.2 44.5 20.2 16.0 153 17 B D H X S+ 0 0 94 -4,-2.7 4,-1.9 2,-0.2 -2,-0.2 0.939 111.1 49.1 -63.8 -47.8 45.4 23.4 14.1 154 18 B A H X>S+ 0 0 0 -4,-2.7 5,-1.9 2,-0.2 4,-0.8 0.885 112.1 48.4 -60.4 -42.0 45.7 21.5 10.8 155 19 B I H ><5S+ 0 0 30 -4,-2.8 3,-1.7 2,-0.2 -1,-0.2 0.973 112.3 48.7 -61.2 -51.3 42.3 19.8 11.4 156 20 B N H 3<5S+ 0 0 127 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.803 115.1 46.1 -60.2 -27.9 40.7 23.2 12.2 157 21 B S H 3<5S- 0 0 81 -4,-1.9 -1,-0.3 2,-0.2 -2,-0.2 0.580 103.0-132.5 -88.2 -11.3 42.2 24.6 9.2 158 22 B G T <<5S+ 0 0 39 -3,-1.7 2,-0.3 -4,-0.8 -3,-0.2 0.838 71.2 113.7 54.3 33.6 41.3 21.7 6.9 159 23 B A < - 0 0 24 -5,-1.9 -1,-0.2 -6,-0.1 2,-0.2 -0.921 69.8-109.0-128.9 156.6 44.9 21.7 5.6 160 24 B T > - 0 0 4 -2,-0.3 4,-3.0 1,-0.1 3,-0.3 -0.567 19.9-125.3 -84.9 148.1 47.7 19.1 5.9 161 25 B L H > S+ 0 0 2 39,-0.5 4,-3.2 1,-0.2 6,-0.2 0.897 114.9 60.8 -51.8 -42.4 50.8 19.6 8.1 162 26 B K H 4>S+ 0 0 22 39,-2.9 5,-2.3 2,-0.2 -1,-0.2 0.899 110.8 37.6 -48.5 -50.6 52.7 18.9 4.9 163 27 B D H >45S+ 0 0 106 -3,-0.3 3,-1.4 38,-0.2 -2,-0.2 0.929 115.5 53.4 -67.5 -50.3 51.1 22.0 3.2 164 28 B I H 3<5S+ 0 0 82 -4,-3.0 -2,-0.2 1,-0.3 -3,-0.2 0.885 119.8 34.0 -53.7 -44.3 51.1 24.2 6.3 165 29 B N T 3<5S- 0 0 73 -4,-3.2 -1,-0.3 -5,-0.2 -2,-0.2 0.346 105.0-131.1 -90.1 7.5 54.9 23.5 6.7 166 30 B A T < 5 - 0 0 76 -3,-1.4 -3,-0.2 -5,-0.2 -4,-0.1 0.892 33.1-174.4 35.0 56.8 55.5 23.4 3.0 167 31 B I < - 0 0 5 -5,-2.3 -1,-0.2 -6,-0.2 5,-0.1 -0.595 32.6-106.7 -68.0 131.7 57.5 20.1 3.2 168 32 B P >> - 0 0 45 0, 0.0 4,-2.0 0, 0.0 3,-0.7 -0.325 18.0-128.3 -61.6 145.4 58.9 19.4 -0.3 169 33 B D H 3> S+ 0 0 102 1,-0.3 4,-3.0 2,-0.2 5,-0.2 0.840 107.5 59.4 -57.9 -39.7 57.2 16.6 -2.2 170 34 B D H 3> S+ 0 0 79 2,-0.2 4,-1.8 1,-0.2 -1,-0.3 0.823 105.8 49.1 -62.1 -33.2 60.5 14.9 -2.9 171 35 B M H <> S+ 0 0 18 -3,-0.7 4,-1.7 2,-0.2 -2,-0.2 0.957 111.6 47.8 -73.7 -45.6 61.1 14.6 0.8 172 36 B M H X S+ 0 0 1 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.896 111.0 52.5 -55.9 -47.2 57.6 13.1 1.5 173 37 B D H X S+ 0 0 87 -4,-3.0 4,-2.6 1,-0.2 -1,-0.2 0.857 107.2 52.7 -56.9 -43.8 58.2 10.7 -1.4 174 38 B D H X S+ 0 0 28 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.870 110.1 46.5 -59.3 -42.6 61.5 9.6 0.1 175 39 B I H X S+ 0 0 0 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.918 114.4 49.1 -64.9 -40.5 59.9 8.8 3.5 176 40 B Y H X S+ 0 0 53 -4,-2.3 4,-3.0 2,-0.2 5,-0.2 0.923 109.5 51.0 -66.6 -43.7 57.0 7.0 1.8 177 41 B S H X S+ 0 0 77 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.949 112.9 45.3 -62.7 -46.2 59.4 5.0 -0.3 178 42 B Y H X S+ 0 0 15 -4,-2.2 4,-1.4 2,-0.2 -2,-0.2 0.919 113.1 51.8 -55.8 -45.6 61.4 3.9 2.8 179 43 B A H X S+ 0 0 0 -4,-2.5 4,-2.0 2,-0.2 3,-0.5 0.933 109.7 48.4 -61.5 -45.9 58.1 3.2 4.7 180 44 B Y H X S+ 0 0 97 -4,-3.0 4,-2.8 1,-0.3 5,-0.2 0.852 105.1 59.6 -64.5 -35.8 56.9 0.9 1.9 181 45 B D H X S+ 0 0 70 -4,-2.0 4,-1.3 -5,-0.2 -1,-0.3 0.868 106.2 47.0 -56.9 -38.5 60.2 -0.8 1.8 182 46 B F H <>S+ 0 0 16 -4,-1.4 5,-2.4 -3,-0.5 -2,-0.2 0.949 112.4 51.0 -72.1 -42.1 59.7 -1.9 5.5 183 47 B Y H ><5S+ 0 0 58 -4,-2.0 3,-2.2 1,-0.2 -2,-0.2 0.958 111.3 46.1 -56.8 -54.1 56.1 -3.0 4.7 184 48 B N H 3<5S+ 0 0 102 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.757 108.7 55.0 -60.1 -31.5 57.1 -5.2 1.7 185 49 B K T 3<5S- 0 0 134 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.363 118.2-114.7 -83.3 8.7 60.0 -6.7 3.6 186 50 B G T < 5S+ 0 0 48 -3,-2.2 2,-1.7 1,-0.2 -3,-0.2 0.567 71.5 139.8 69.7 12.1 57.4 -7.7 6.2 187 51 B R >< + 0 0 129 -5,-2.4 4,-2.7 -6,-0.2 -1,-0.2 -0.590 21.8 167.8 -89.6 80.2 59.1 -5.4 9.0 188 52 B I H > + 0 0 26 -2,-1.7 4,-2.2 1,-0.2 -1,-0.2 0.824 64.4 55.4 -72.5 -34.4 55.7 -4.3 10.3 189 53 B E H > S+ 0 0 127 2,-0.2 4,-1.1 -3,-0.2 -1,-0.2 0.926 114.6 40.8 -64.4 -43.8 56.8 -2.6 13.5 190 54 B E H > S+ 0 0 18 1,-0.2 4,-1.8 2,-0.2 3,-0.5 0.933 114.2 53.4 -70.7 -45.1 59.2 -0.3 11.7 191 55 B A H X S+ 0 0 0 -4,-2.7 4,-2.8 1,-0.2 5,-0.2 0.884 103.5 58.6 -56.7 -36.5 56.7 0.2 8.8 192 56 B E H X S+ 0 0 35 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.888 103.6 48.7 -66.0 -38.1 54.0 1.3 11.3 193 57 B V H X S+ 0 0 23 -4,-1.1 4,-2.1 -3,-0.5 -1,-0.2 0.943 113.4 48.3 -71.6 -39.8 55.9 4.2 12.8 194 58 B F H X S+ 0 0 13 -4,-1.8 4,-2.3 1,-0.2 -2,-0.2 0.945 114.6 44.7 -59.3 -45.2 56.7 5.5 9.3 195 59 B F H X S+ 0 0 0 -4,-2.8 4,-2.4 2,-0.2 -1,-0.2 0.839 110.3 53.8 -70.8 -32.9 53.1 5.2 8.1 196 60 B R H X S+ 0 0 42 -4,-2.4 4,-1.6 -5,-0.2 -1,-0.2 0.945 110.3 47.6 -66.4 -41.3 51.7 6.7 11.3 197 61 B F H X S+ 0 0 0 -4,-2.1 4,-2.7 -5,-0.2 -2,-0.2 0.911 111.3 52.8 -61.8 -43.8 53.9 9.7 10.8 198 62 B L H X S+ 0 0 0 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.911 109.9 45.5 -58.0 -49.2 52.9 9.9 7.1 199 63 B C H < S+ 0 0 0 -4,-2.4 -1,-0.2 2,-0.2 -2,-0.2 0.755 111.6 54.2 -65.6 -30.6 49.2 10.0 7.8 200 64 B I H < S+ 0 0 11 -4,-1.6 -39,-0.5 -5,-0.2 3,-0.5 0.940 115.0 39.8 -65.0 -48.1 49.8 12.5 10.6 201 65 B Y H < S+ 0 0 4 -4,-2.7 -39,-2.9 1,-0.3 -38,-0.2 0.678 133.3 21.8 -81.0 -17.5 51.6 14.8 8.1 202 66 B D >< + 0 0 19 -4,-1.9 3,-1.7 -5,-0.2 -1,-0.3 -0.574 65.1 170.6-148.0 77.5 49.3 14.2 5.2 203 67 B F T 3 S+ 0 0 0 -3,-0.5 -196,-0.1 1,-0.3 -4,-0.1 0.321 78.1 57.9 -74.9 9.5 45.9 13.0 6.4 204 68 B Y T 3 S+ 0 0 66 -197,-0.0 2,-0.7 31,-0.0 -1,-0.3 0.334 77.6 110.4-113.1 1.6 44.3 13.4 2.9 205 69 B N <> - 0 0 36 -3,-1.7 4,-2.6 1,-0.2 3,-0.3 -0.713 52.0-163.0 -88.2 113.3 46.8 11.1 1.2 206 70 B V H > S+ 0 0 42 -2,-0.7 4,-2.5 1,-0.2 5,-0.2 0.834 89.4 54.1 -65.0 -33.3 45.1 7.7 0.1 207 71 B D H > S+ 0 0 93 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.896 111.7 45.3 -71.9 -34.3 48.4 5.9 -0.3 208 72 B Y H > S+ 0 0 8 -3,-0.3 4,-2.4 2,-0.2 -2,-0.2 0.953 115.3 46.0 -69.2 -48.3 49.4 6.7 3.2 209 73 B I H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.869 113.7 48.9 -62.6 -40.0 46.1 5.9 4.7 210 74 B M H X S+ 0 0 35 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.896 110.8 51.9 -66.0 -44.2 45.9 2.6 2.8 211 75 B G H X S+ 0 0 9 -4,-1.8 4,-2.0 -5,-0.2 -2,-0.2 0.929 113.5 42.0 -58.6 -45.5 49.3 1.7 3.9 212 76 B L H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.865 112.4 54.4 -73.3 -39.0 48.6 2.3 7.5 213 77 B A H X S+ 0 0 0 -4,-2.6 4,-2.4 -5,-0.2 -1,-0.2 0.927 107.4 51.7 -58.1 -40.1 45.1 0.6 7.3 214 78 B A H X S+ 0 0 15 -4,-2.4 4,-2.9 1,-0.2 -2,-0.2 0.934 109.3 51.0 -62.9 -44.7 46.9 -2.6 5.8 215 79 B I H X S+ 0 0 0 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.942 110.0 47.6 -59.3 -46.7 49.3 -2.5 8.8 216 80 B Y H <>S+ 0 0 3 -4,-2.5 5,-3.1 2,-0.2 -1,-0.2 0.895 111.5 51.7 -58.8 -41.5 46.5 -2.3 11.4 217 81 B Q H ><5S+ 0 0 33 -4,-2.4 3,-1.8 1,-0.2 -2,-0.2 0.940 109.0 49.9 -63.3 -45.3 44.7 -5.2 9.6 218 82 B I H 3<5S+ 0 0 86 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.837 111.0 49.4 -62.1 -32.7 47.9 -7.3 9.7 219 83 B K T 3<5S- 0 0 90 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.309 119.0-115.7 -86.4 7.1 48.2 -6.5 13.5 220 84 B E T < 5S+ 0 0 118 -3,-1.8 2,-1.3 1,-0.2 -3,-0.2 0.745 72.2 139.9 62.1 28.0 44.5 -7.5 13.8 221 85 B Q >< + 0 0 49 -5,-3.1 4,-2.4 1,-0.2 -1,-0.2 -0.652 25.2 168.4 -94.3 71.8 43.4 -4.1 14.9 222 86 B F H > + 0 0 20 -2,-1.3 4,-2.8 1,-0.2 -1,-0.2 0.814 64.8 51.0 -61.0 -38.9 40.4 -4.7 12.7 223 87 B Q H > S+ 0 0 94 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.912 112.5 45.6 -71.2 -42.9 38.2 -1.7 13.8 224 88 B Q H > S+ 0 0 18 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.927 114.2 50.6 -63.9 -42.0 41.0 0.8 13.3 225 89 B A H X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 5,-0.2 0.955 110.4 49.5 -58.2 -52.5 41.8 -0.8 9.9 226 90 B A H X S+ 0 0 5 -4,-2.8 4,-1.9 1,-0.2 -1,-0.2 0.877 109.5 51.8 -57.8 -41.3 38.2 -0.6 8.9 227 91 B D H X S+ 0 0 70 -4,-2.4 4,-1.3 2,-0.2 -1,-0.2 0.898 112.0 45.1 -64.9 -38.7 38.0 3.1 9.9 228 92 B L H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 3,-0.3 0.936 110.6 54.7 -71.0 -37.5 41.0 4.0 7.9 229 93 B Y H X S+ 0 0 2 -4,-2.7 4,-2.4 1,-0.3 -2,-0.2 0.866 105.0 54.7 -64.4 -31.4 39.7 2.0 4.8 230 94 B A H X S+ 0 0 59 -4,-1.9 4,-2.5 -5,-0.2 -1,-0.3 0.905 109.0 45.9 -69.2 -39.2 36.5 3.9 5.0 231 95 B V H X S+ 0 0 8 -4,-1.3 4,-2.3 -3,-0.3 -2,-0.2 0.947 111.8 53.1 -65.7 -45.3 38.3 7.3 4.8 232 96 B A H X S+ 0 0 1 -4,-2.6 4,-0.5 1,-0.2 -2,-0.2 0.912 110.9 46.7 -56.7 -42.4 40.5 5.9 1.9 233 97 B F H >< S+ 0 0 47 -4,-2.4 3,-1.4 1,-0.2 -1,-0.2 0.938 110.0 51.9 -65.3 -47.0 37.4 4.9 0.0 234 98 B A H 3< S+ 0 0 39 -4,-2.5 3,-0.4 1,-0.3 -1,-0.2 0.830 113.0 46.4 -56.6 -35.8 35.7 8.3 0.6 235 99 B L H 3< S+ 0 0 62 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.496 127.4 26.9 -81.9 -9.5 38.8 10.0 -0.8 236 100 B G X< + 0 0 26 -3,-1.4 3,-2.0 -4,-0.5 -1,-0.2 -0.410 64.9 171.9-153.5 70.3 39.0 7.7 -3.8 237 101 B K T 3 S+ 0 0 133 -3,-0.4 -3,-0.1 1,-0.3 -4,-0.1 0.484 73.3 68.4 -72.0 -0.7 35.6 6.3 -4.8 238 102 B N T 3 S+ 0 0 170 1,-0.1 2,-0.6 -5,-0.1 -1,-0.3 0.635 89.3 76.6 -83.6 -12.6 36.9 4.6 -8.0 239 103 B D < - 0 0 74 -3,-2.0 4,-0.3 -6,-0.2 -3,-0.1 -0.890 52.1-179.9-110.1 113.3 38.9 2.2 -6.0 240 104 B Y > + 0 0 36 -2,-0.6 4,-2.7 1,-0.2 5,-0.2 0.454 61.8 97.0 -87.0 -2.6 37.1 -0.8 -4.3 241 105 B T H > S+ 0 0 31 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.945 86.3 48.4 -50.6 -49.0 40.2 -2.3 -2.8 242 106 B P H > S+ 0 0 3 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.871 109.9 52.2 -63.1 -29.9 39.4 -0.5 0.6 243 107 B V H > S+ 0 0 13 -4,-0.3 4,-2.1 1,-0.2 -2,-0.2 0.923 109.6 49.6 -71.2 -38.6 35.8 -1.8 0.4 244 108 B F H X S+ 0 0 2 -4,-2.7 4,-1.6 1,-0.2 -1,-0.2 0.941 112.4 46.8 -58.8 -50.1 37.2 -5.3 -0.1 245 109 B H H X S+ 0 0 44 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.847 108.7 54.5 -64.8 -36.2 39.6 -5.0 2.9 246 110 B T H X S+ 0 0 21 -4,-2.2 4,-2.7 -5,-0.2 -1,-0.2 0.887 104.3 56.7 -63.9 -37.7 36.8 -3.5 5.1 247 111 B G H X S+ 0 0 0 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.917 107.0 47.6 -59.0 -42.6 34.8 -6.6 4.2 248 112 B Q H X S+ 0 0 31 -4,-1.6 4,-1.9 1,-0.2 -1,-0.2 0.846 112.6 50.1 -65.9 -34.5 37.6 -8.8 5.5 249 113 B C H X S+ 0 0 0 -4,-1.9 4,-1.4 2,-0.2 -2,-0.2 0.880 108.3 51.8 -68.4 -41.5 37.8 -6.7 8.7 250 114 B Q H <>S+ 0 0 23 -4,-2.7 5,-2.2 2,-0.2 3,-0.3 0.931 107.4 53.1 -64.3 -42.6 34.0 -6.9 9.3 251 115 B L H ><5S+ 0 0 50 -4,-2.0 3,-1.8 1,-0.2 -1,-0.2 0.945 109.7 48.3 -55.2 -49.9 34.2 -10.7 9.0 252 116 B R H 3<5S+ 0 0 137 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.752 107.4 55.3 -64.7 -24.5 36.9 -10.8 11.6 253 117 B L T 3<5S- 0 0 65 -4,-1.4 -1,-0.3 -3,-0.3 -2,-0.2 0.135 121.1-111.4 -89.1 14.3 34.8 -8.5 13.9 254 118 B K T < 5S+ 0 0 189 -3,-1.8 -3,-0.2 1,-0.1 -2,-0.1 0.877 81.9 125.9 55.0 48.1 32.0 -11.0 13.6 255 119 B A >< + 0 0 22 -5,-2.2 4,-2.5 1,-0.1 3,-0.4 -0.529 25.6 167.2-128.2 62.8 29.7 -8.8 11.5 256 120 B P H > S+ 0 0 61 0, 0.0 4,-2.5 0, 0.0 5,-0.1 0.746 73.8 57.2 -49.7 -26.7 29.2 -11.2 8.6 257 121 B L H > S+ 0 0 140 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.936 106.5 43.5 -77.8 -51.2 26.3 -9.0 7.4 258 122 B K H > S+ 0 0 116 -3,-0.4 4,-2.0 1,-0.2 -1,-0.2 0.931 114.3 55.1 -56.2 -42.1 28.3 -5.9 7.0 259 123 B A H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.926 105.8 49.6 -56.9 -50.8 31.0 -8.0 5.4 260 124 B K H X S+ 0 0 61 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.879 108.0 55.3 -57.7 -41.6 28.6 -9.5 2.8 261 125 B E H X S+ 0 0 123 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.927 108.7 46.2 -57.0 -48.7 27.5 -6.0 2.0 262 126 B C H X S+ 0 0 19 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.955 112.2 50.8 -55.2 -51.1 31.1 -4.8 1.3 263 127 B F H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.870 110.0 51.0 -61.9 -32.5 31.8 -8.0 -0.9 264 128 B E H X S+ 0 0 92 -4,-2.5 4,-3.0 -5,-0.2 -1,-0.2 0.916 106.6 53.3 -71.0 -42.2 28.6 -7.3 -2.9 265 129 B L H X S+ 0 0 64 -4,-2.3 4,-2.9 2,-0.2 5,-0.4 0.914 109.8 49.4 -54.4 -44.6 29.6 -3.7 -3.5 266 130 B V H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.956 113.0 45.5 -62.2 -49.2 33.0 -4.9 -4.9 267 131 B I H < S+ 0 0 53 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.931 117.1 47.0 -60.9 -41.3 31.3 -7.5 -7.2 268 132 B Q H < S+ 0 0 132 -4,-3.0 -1,-0.2 -5,-0.2 -2,-0.2 0.885 129.9 13.1 -68.3 -42.1 28.8 -4.9 -8.3 269 133 B H H < S+ 0 0 88 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.592 94.3 101.1-119.3 -15.8 31.1 -1.9 -9.0 270 134 B S < - 0 0 9 -4,-2.6 -31,-0.1 -5,-0.4 -32,-0.0 -0.505 46.6-162.9 -75.0 147.7 34.8 -2.9 -9.1 271 135 B N + 0 0 158 -2,-0.2 2,-0.8 5,-0.0 -1,-0.1 0.044 62.5 107.6-106.9 19.2 36.5 -3.4 -12.5 272 136 B D > - 0 0 69 -6,-0.2 4,-2.4 1,-0.2 5,-0.2 -0.887 55.3-163.2-103.2 105.9 39.3 -5.3 -10.9 273 137 B E H > S+ 0 0 122 -2,-0.8 4,-2.6 1,-0.2 5,-0.2 0.896 88.9 50.0 -55.4 -48.2 38.9 -9.0 -11.8 274 138 B K H > S+ 0 0 134 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.902 111.0 49.4 -59.5 -45.2 41.2 -10.3 -9.0 275 139 B L H > S+ 0 0 10 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.915 111.9 50.0 -57.9 -41.9 39.3 -8.3 -6.4 276 140 B K H X S+ 0 0 53 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.922 108.5 50.4 -70.4 -38.8 36.0 -9.6 -7.7 277 141 B I H X S+ 0 0 95 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.897 112.8 47.7 -63.1 -43.6 37.1 -13.2 -7.6 278 142 B K H X S+ 0 0 81 -4,-2.1 4,-2.1 2,-0.2 5,-0.2 0.976 113.1 47.9 -59.5 -51.5 38.3 -12.8 -4.0 279 143 B A H X S+ 0 0 0 -4,-2.9 4,-2.1 1,-0.2 -2,-0.2 0.876 111.2 50.6 -58.3 -42.2 35.1 -11.1 -3.0 280 144 B Q H X S+ 0 0 76 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.883 108.4 52.7 -63.8 -38.3 33.0 -13.8 -4.7 281 145 B S H X S+ 0 0 67 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.885 110.0 48.2 -65.1 -38.7 35.0 -16.5 -2.9 282 146 B Y H X S+ 0 0 71 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.882 111.0 50.8 -64.6 -41.0 34.3 -14.8 0.5 283 147 B L H X S+ 0 0 23 -4,-2.1 4,-1.6 1,-0.2 -2,-0.2 0.937 111.9 47.0 -68.1 -39.7 30.6 -14.5 -0.4 284 148 B D H < S+ 0 0 91 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.879 113.2 49.7 -65.1 -39.9 30.4 -18.2 -1.3 285 149 B A H < S+ 0 0 86 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.894 113.4 44.4 -70.4 -35.9 32.3 -19.2 2.0 286 150 B I H < 0 0 43 -4,-2.3 -1,-0.2 -5,-0.1 -2,-0.2 0.725 360.0 360.0 -79.4 -28.9 30.1 -17.1 4.2 287 151 B Q < 0 0 174 -4,-1.6 -3,-0.1 -5,-0.2 -4,-0.1 0.887 360.0 360.0 55.4 360.0 26.8 -18.3 2.6