==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-MAR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER UNKNOWN FUNCTION 13-FEB-13 4J7K . COMPND 2 MOLECULE: SECRETED PROTEIN ESXB; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS ANTHRACIS; . AUTHOR Y.FAN,K.TAN,G.CHHOR,R.JEDRZEJCZAK,A.JOACHIMIAK,MIDWEST CENTE . 358 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18557.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 315 88.0 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 . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 5 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 278 77.7 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+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 8 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 . 1 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 N > 0 0 199 0, 0.0 3,-1.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -29.7 -1.7 29.6 22.0 2 0 A A T 3 + 0 0 108 1,-0.3 0, 0.0 3,-0.0 0, 0.0 0.582 360.0 60.0 -72.6 -8.7 -0.7 26.1 20.9 3 1 A M T 3 S+ 0 0 188 2,-0.1 -1,-0.3 3,-0.0 2,-0.2 0.247 74.1 130.0-102.1 10.2 -3.6 26.1 18.4 4 2 A A < - 0 0 66 -3,-1.5 2,-0.2 1,-0.1 3,-0.0 -0.467 69.3-105.4 -66.5 133.0 -2.2 29.1 16.5 5 3 A E - 0 0 128 -2,-0.2 2,-0.7 1,-0.1 -1,-0.1 -0.395 29.3-124.1 -63.4 128.2 -2.1 28.4 12.8 6 4 A I - 0 0 113 -2,-0.2 2,-0.1 126,-0.1 -1,-0.1 -0.657 29.8-130.8 -77.6 114.2 1.5 27.7 11.6 7 5 A K - 0 0 163 -2,-0.7 5,-0.1 1,-0.1 -1,-0.1 -0.426 24.4-102.4 -72.1 136.8 2.1 30.2 8.8 8 6 A I + 0 0 32 -2,-0.1 -1,-0.1 125,-0.1 3,-0.0 -0.318 50.1 162.9 -57.6 132.6 3.5 29.0 5.5 9 7 A T > - 0 0 48 -3,-0.1 4,-2.1 1,-0.0 5,-0.2 -0.908 54.2-103.4-139.8 164.7 7.2 29.7 5.0 10 8 A P H > S+ 0 0 18 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.891 123.6 56.4 -60.8 -33.5 9.7 28.1 2.6 11 9 A E H > S+ 0 0 112 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.877 107.7 47.5 -61.9 -40.0 11.0 26.1 5.6 12 10 A E H > S+ 0 0 45 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.890 111.2 49.9 -69.1 -40.7 7.6 24.7 6.2 13 11 A L H X S+ 0 0 0 -4,-2.1 4,-2.7 1,-0.2 -2,-0.2 0.911 112.5 47.8 -65.6 -39.8 7.0 23.8 2.6 14 12 A E H X S+ 0 0 52 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.861 109.7 53.0 -69.3 -35.6 10.4 22.1 2.4 15 13 A R H X S+ 0 0 114 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.944 114.1 41.8 -61.3 -47.3 9.7 20.1 5.6 16 14 A I H X S+ 0 0 1 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.892 110.6 56.3 -71.3 -36.3 6.4 18.9 4.2 17 15 A A H X S+ 0 0 7 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.916 107.0 52.1 -57.9 -40.3 8.0 18.2 0.8 18 16 A G H X S+ 0 0 24 -4,-2.2 4,-3.0 1,-0.2 5,-0.2 0.878 104.3 55.7 -62.3 -39.9 10.5 16.1 2.8 19 17 A N H X S+ 0 0 56 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.920 110.3 45.1 -58.5 -44.2 7.6 14.2 4.4 20 18 A F H X S+ 0 0 0 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.909 113.7 49.1 -66.6 -41.9 6.2 13.3 1.0 21 19 A K H X S+ 0 0 138 -4,-2.5 4,-1.8 2,-0.2 -2,-0.2 0.929 113.1 47.0 -62.3 -45.4 9.6 12.3 -0.4 22 20 A N H X S+ 0 0 77 -4,-3.0 4,-2.4 1,-0.2 -2,-0.2 0.881 109.0 55.0 -63.7 -39.1 10.3 10.1 2.7 23 21 A A H X S+ 0 0 2 -4,-2.2 4,-2.4 -5,-0.2 -1,-0.2 0.897 105.6 52.6 -58.8 -42.5 6.9 8.6 2.4 24 22 A A H X S+ 0 0 1 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.918 110.0 49.0 -60.2 -42.4 7.7 7.6 -1.2 25 23 A G H X S+ 0 0 4 -4,-1.8 163,-2.1 2,-0.2 4,-2.0 0.891 111.0 48.4 -64.7 -41.5 10.9 5.9 0.0 26 24 A E H X S+ 0 0 70 -4,-2.4 4,-2.4 161,-0.2 -1,-0.2 0.889 110.3 52.4 -64.9 -40.5 9.1 4.0 2.8 27 25 A A H X S+ 0 0 2 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.919 109.4 49.3 -60.8 -44.3 6.4 2.8 0.3 28 26 A Q H X S+ 0 0 16 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.906 110.3 50.4 -62.1 -43.0 9.1 1.6 -2.1 29 27 A S H X S+ 0 0 12 -4,-2.0 4,-2.3 157,-0.2 -1,-0.2 0.917 110.5 51.0 -60.8 -43.6 10.9 -0.3 0.8 30 28 A Q H X S+ 0 0 15 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.917 109.2 48.4 -60.9 -46.2 7.6 -1.9 1.7 31 29 A I H X S+ 0 0 4 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.887 110.8 53.1 -66.3 -35.0 6.7 -3.1 -1.8 32 30 A N H X S+ 0 0 45 -4,-2.1 4,-1.8 -5,-0.2 -1,-0.2 0.921 110.2 46.3 -61.9 -47.2 10.3 -4.6 -2.0 33 31 A R H X S+ 0 0 138 -4,-2.3 4,-1.5 1,-0.2 -2,-0.2 0.892 112.8 49.5 -64.1 -39.9 9.9 -6.5 1.2 34 32 A L H X S+ 0 0 5 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.865 107.9 54.5 -68.2 -35.2 6.5 -7.8 0.2 35 33 A E H X S+ 0 0 33 -4,-2.1 4,-2.9 1,-0.2 -1,-0.2 0.898 103.6 56.3 -63.4 -40.6 7.8 -8.9 -3.2 36 34 A G H X S+ 0 0 36 -4,-1.8 4,-1.8 1,-0.2 -1,-0.2 0.895 106.3 50.6 -57.0 -42.3 10.5 -10.9 -1.4 37 35 A D H X S+ 0 0 25 -4,-1.5 4,-0.9 2,-0.2 -1,-0.2 0.909 110.3 47.6 -63.2 -44.7 7.8 -12.8 0.5 38 36 A I H >X S+ 0 0 0 -4,-1.9 3,-1.0 1,-0.2 4,-0.6 0.933 111.1 52.6 -63.8 -41.9 5.8 -13.6 -2.6 39 37 A N H >< S+ 0 0 82 -4,-2.9 3,-1.1 1,-0.2 -1,-0.2 0.866 103.4 58.3 -55.9 -37.8 9.1 -14.7 -4.2 40 38 A S H 3< S+ 0 0 61 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.719 98.4 60.0 -70.3 -20.3 9.8 -17.0 -1.2 41 39 A L H X< S+ 0 0 0 -3,-1.0 3,-2.5 -4,-0.9 4,-0.4 0.655 75.7 116.8 -81.4 -17.5 6.5 -18.9 -1.8 42 40 A E T << S+ 0 0 117 -3,-1.1 4,-0.1 -4,-0.6 5,-0.1 -0.320 89.9 4.0 -55.6 124.6 7.6 -20.0 -5.3 43 41 A G T 3 S+ 0 0 43 2,-0.3 -1,-0.3 1,-0.1 -2,-0.1 0.463 105.4 101.5 80.4 2.8 7.8 -23.7 -5.4 44 42 A Q S < S+ 0 0 62 -3,-2.5 55,-2.5 2,-0.1 56,-0.7 0.426 93.0 0.7 -97.6 -3.2 6.5 -24.0 -1.8 45 43 A W S S- 0 0 8 -4,-0.4 -2,-0.3 53,-0.2 53,-0.1 -0.916 108.1 -32.7-167.2-177.3 3.0 -25.0 -2.9 46 44 A A > - 0 0 23 -2,-0.3 4,-2.3 1,-0.1 3,-0.4 -0.180 50.1-127.6 -57.4 140.3 0.9 -25.6 -6.0 47 45 A G H > S+ 0 0 51 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.840 110.3 56.3 -55.2 -36.5 1.7 -23.6 -9.1 48 46 A A H > S+ 0 0 81 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.885 107.4 48.4 -64.8 -39.3 -1.9 -22.5 -9.4 49 47 A T H > S+ 0 0 36 -3,-0.4 4,-2.2 2,-0.2 -2,-0.2 0.931 111.4 49.6 -65.1 -46.5 -1.8 -21.1 -5.9 50 48 A Q H X S+ 0 0 5 -4,-2.3 4,-2.9 1,-0.2 5,-0.3 0.889 107.6 54.9 -59.3 -40.2 1.4 -19.3 -6.6 51 49 A A H X S+ 0 0 66 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.896 107.6 50.6 -61.4 -39.0 -0.0 -17.8 -9.8 52 50 A K H X S+ 0 0 96 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.944 114.0 42.6 -64.8 -47.5 -3.0 -16.4 -7.8 53 51 A F H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.880 113.4 50.9 -71.2 -36.9 -0.8 -14.8 -5.2 54 52 A R H X S+ 0 0 60 -4,-2.9 4,-2.8 2,-0.2 5,-0.2 0.928 110.6 51.8 -59.1 -44.4 1.7 -13.4 -7.7 55 53 A G H X S+ 0 0 35 -4,-2.3 4,-1.6 -5,-0.3 -2,-0.2 0.894 111.0 45.7 -60.6 -43.7 -1.2 -12.0 -9.7 56 54 A Q H X S+ 0 0 28 -4,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.922 112.9 51.2 -64.3 -45.8 -2.7 -10.3 -6.6 57 55 A F H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.910 107.0 52.0 -61.1 -41.6 0.8 -8.9 -5.6 58 56 A I H X S+ 0 0 70 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.889 106.5 54.6 -64.8 -35.0 1.5 -7.5 -9.1 59 57 A Q H X S+ 0 0 113 -4,-1.6 4,-1.8 -5,-0.2 -1,-0.2 0.902 109.9 47.2 -61.3 -39.8 -1.9 -5.6 -9.0 60 58 A S H X S+ 0 0 0 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.893 109.9 52.7 -66.5 -40.1 -0.8 -4.1 -5.6 61 59 A K H X S+ 0 0 54 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.887 107.2 52.8 -63.3 -37.6 2.6 -3.2 -7.1 62 60 A Q H X S+ 0 0 100 -4,-2.4 4,-0.8 2,-0.2 -1,-0.2 0.914 108.4 49.7 -64.6 -41.7 0.8 -1.4 -10.0 63 61 A A H >X S+ 0 0 11 -4,-1.8 4,-2.2 1,-0.2 3,-0.9 0.925 111.2 49.5 -60.3 -44.6 -1.2 0.6 -7.5 64 62 A M H 3X S+ 0 0 4 -4,-2.3 4,-2.7 1,-0.3 -1,-0.2 0.854 104.5 58.8 -64.3 -34.4 2.0 1.5 -5.7 65 63 A Q H 3< S+ 0 0 53 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.657 109.7 44.2 -73.2 -14.0 3.6 2.5 -9.0 66 64 A Q H X S+ 0 0 0 -4,-2.2 4,-1.9 1,-0.2 3,-0.5 0.910 102.6 57.2 -66.0 -49.7 1.0 6.3 -5.8 68 66 A I H 3X S+ 0 0 5 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.917 105.8 48.4 -54.8 -50.0 4.7 6.9 -5.5 69 67 A P H 3> S+ 0 0 15 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.789 107.8 57.5 -63.8 -24.9 5.0 9.4 -8.4 70 68 A I H S- 0 0 106 85,-0.2 3,-1.7 1,-0.1 -2,-0.2 -0.798 74.9-147.4 -95.7 123.7 1.7 -33.7 0.9 96 2 B A T 3 S+ 0 0 89 -2,-0.6 -1,-0.1 1,-0.3 -3,-0.1 0.810 97.2 62.2 -53.5 -37.0 5.2 -33.3 -0.7 97 3 B E T 3 S+ 0 0 124 1,-0.1 2,-0.9 2,-0.1 -1,-0.3 0.765 91.3 73.4 -64.1 -26.3 3.9 -30.4 -2.9 98 4 B I < + 0 0 24 -3,-1.7 -5,-0.6 1,-0.1 -53,-0.2 -0.788 53.7 163.0 -93.2 104.7 3.1 -28.4 0.3 99 5 B K + 0 0 137 -55,-2.5 2,-0.4 -2,-0.9 -54,-0.2 0.356 51.5 79.2-106.2 5.3 6.5 -27.3 1.7 100 6 B I S S- 0 0 9 -56,-0.7 -7,-0.1 -59,-0.1 -59,-0.0 -0.905 71.7-132.7-118.4 140.2 5.2 -24.6 3.9 101 7 B T > - 0 0 40 -2,-0.4 4,-2.0 1,-0.1 5,-0.2 -0.497 26.5-113.6 -82.4 159.1 3.6 -24.9 7.4 102 8 B P H > S+ 0 0 0 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.908 118.8 55.4 -56.9 -42.5 0.4 -23.0 8.4 103 9 B E H > S+ 0 0 100 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.864 105.9 51.0 -60.6 -37.6 2.4 -21.0 10.9 104 10 B E H > S+ 0 0 79 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.899 110.3 48.7 -66.5 -39.5 4.8 -19.9 8.1 105 11 B L H X S+ 0 0 0 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.899 111.1 51.0 -66.2 -38.2 1.8 -18.8 5.9 106 12 B E H X S+ 0 0 69 -4,-2.5 4,-1.8 2,-0.2 -2,-0.2 0.878 107.4 53.6 -64.8 -39.0 0.4 -16.9 8.9 107 13 B R H X S+ 0 0 109 -4,-2.1 4,-1.5 2,-0.2 -2,-0.2 0.952 111.3 44.6 -58.2 -51.2 3.7 -15.2 9.5 108 14 B I H X S+ 0 0 1 -4,-2.2 4,-1.7 1,-0.2 3,-0.2 0.910 110.2 55.6 -61.6 -40.5 3.8 -14.0 5.8 109 15 B A H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.840 103.6 55.9 -60.1 -33.9 0.1 -12.9 6.1 110 16 B G H X S+ 0 0 31 -4,-1.8 4,-2.8 2,-0.2 -1,-0.2 0.870 102.5 54.9 -66.8 -36.4 1.1 -10.8 9.1 111 17 B N H X S+ 0 0 63 -4,-1.5 4,-2.2 -3,-0.2 -2,-0.2 0.907 110.4 46.6 -61.3 -40.0 3.6 -9.0 7.0 112 18 B F H X S+ 0 0 0 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.898 112.7 48.1 -69.3 -40.7 0.8 -8.1 4.6 113 19 B K H X S+ 0 0 135 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.911 112.4 49.8 -64.2 -41.9 -1.5 -7.0 7.3 114 20 B N H X S+ 0 0 107 -4,-2.8 4,-2.7 1,-0.2 -2,-0.2 0.909 109.6 51.7 -61.8 -42.7 1.2 -4.9 8.9 115 21 B A H X S+ 0 0 6 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.897 108.3 51.1 -61.6 -41.1 1.9 -3.3 5.5 116 22 B A H X S+ 0 0 6 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.906 112.4 46.8 -62.4 -42.0 -1.8 -2.5 5.0 117 23 B G H X S+ 0 0 37 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.911 112.4 49.2 -65.6 -43.7 -1.8 -0.8 8.4 118 24 B E H X S+ 0 0 94 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.887 109.3 52.5 -64.5 -39.8 1.4 1.1 7.7 119 25 B A H X S+ 0 0 3 -4,-2.5 4,-2.6 2,-0.2 5,-0.2 0.930 110.8 46.8 -61.6 -45.4 0.1 2.3 4.4 120 26 B Q H X S+ 0 0 82 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.900 112.3 50.3 -64.2 -41.7 -3.1 3.6 6.0 121 27 B S H X S+ 0 0 52 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.893 110.3 51.8 -62.3 -39.7 -1.1 5.3 8.7 122 28 B Q H X S+ 0 0 14 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.948 110.0 45.3 -64.4 -50.1 1.2 6.9 6.1 123 29 B I H X S+ 0 0 4 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.879 111.4 55.7 -64.3 -33.4 -1.6 8.4 4.0 124 30 B N H X S+ 0 0 86 -4,-2.0 4,-1.8 -5,-0.2 -1,-0.2 0.906 108.1 46.9 -62.7 -42.7 -3.3 9.6 7.2 125 31 B R H X S+ 0 0 124 -4,-2.1 4,-1.7 2,-0.2 -2,-0.2 0.941 113.4 48.5 -64.5 -45.1 -0.1 11.5 8.3 126 32 B L H X S+ 0 0 6 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.879 106.7 56.8 -63.4 -37.8 0.2 13.0 4.9 127 33 B E H X S+ 0 0 54 -4,-2.5 4,-3.3 1,-0.2 -1,-0.2 0.914 104.5 52.9 -57.3 -42.6 -3.4 14.0 4.9 128 34 B G H X S+ 0 0 35 -4,-1.8 4,-2.0 1,-0.2 -1,-0.2 0.883 108.2 51.1 -59.3 -39.1 -2.8 16.0 8.1 129 35 B D H X S+ 0 0 24 -4,-1.7 4,-0.8 2,-0.2 -2,-0.2 0.911 112.2 45.4 -63.2 -45.2 0.1 17.7 6.3 130 36 B I H >X S+ 0 0 6 -4,-2.4 4,-2.1 1,-0.2 3,-0.9 0.933 112.6 51.7 -65.5 -45.1 -2.2 18.7 3.4 131 37 B N H 3X S+ 0 0 92 -4,-3.3 4,-0.7 1,-0.2 -1,-0.2 0.846 103.7 57.9 -57.6 -37.0 -4.9 19.8 5.8 132 38 B S H 3< S+ 0 0 63 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.724 116.5 34.8 -69.7 -20.3 -2.5 22.0 7.7 133 39 B L H XX S+ 0 0 7 -3,-0.9 3,-2.3 -4,-0.8 4,-0.6 0.724 95.6 85.6 -99.7 -29.7 -1.7 23.9 4.5 134 40 B E H >< S+ 0 0 46 -4,-2.1 3,-1.1 1,-0.3 -2,-0.1 0.799 86.5 52.5 -48.5 -45.5 -5.1 23.9 2.7 135 41 B G T 3< S+ 0 0 67 -4,-0.7 -1,-0.3 1,-0.2 -2,-0.1 0.675 106.8 55.3 -66.9 -17.2 -6.6 27.0 4.4 136 42 B Q T <4 S+ 0 0 53 -3,-2.3 -1,-0.2 6,-0.0 2,-0.2 0.551 98.2 73.0 -96.0 -8.7 -3.6 29.1 3.5 137 43 B W << - 0 0 28 -3,-1.1 2,-0.3 -4,-0.6 3,-0.0 -0.631 64.4-167.3 -94.5 164.0 -3.7 28.3 -0.2 138 44 B A >> - 0 0 74 -2,-0.2 4,-1.5 0, 0.0 3,-1.0 -0.953 41.9 -12.6-143.6 164.2 -6.3 29.8 -2.6 139 45 B G H 3> S- 0 0 56 -2,-0.3 4,-2.0 1,-0.2 5,-0.2 -0.088 123.1 -2.4 54.5-132.3 -7.7 29.3 -6.1 140 46 B A H 3> S+ 0 0 85 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.843 134.2 53.3 -67.2 -33.7 -5.8 27.2 -8.6 141 47 B T H <> S+ 0 0 60 -3,-1.0 4,-1.8 2,-0.2 5,-0.2 0.929 108.8 49.4 -67.3 -43.6 -2.9 26.4 -6.1 142 48 B Q H X S+ 0 0 48 -4,-1.5 4,-2.1 1,-0.2 -2,-0.2 0.930 113.1 47.6 -58.4 -45.5 -5.3 25.2 -3.4 143 49 B A H X S+ 0 0 43 -4,-2.0 4,-2.8 1,-0.2 5,-0.2 0.842 106.4 58.4 -64.5 -36.6 -7.0 23.0 -6.0 144 50 B K H X S+ 0 0 94 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.914 111.2 40.2 -62.4 -44.4 -3.7 21.6 -7.3 145 51 B F H X S+ 0 0 2 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.901 116.3 50.1 -72.0 -40.1 -2.7 20.3 -3.9 146 52 B R H X S+ 0 0 89 -4,-2.1 4,-2.4 -5,-0.2 -2,-0.2 0.913 112.9 46.9 -62.6 -44.8 -6.2 19.0 -3.0 147 53 B G H X S+ 0 0 29 -4,-2.8 4,-2.2 2,-0.2 -2,-0.2 0.906 112.4 47.9 -66.4 -47.1 -6.5 17.2 -6.3 148 54 B Q H X S+ 0 0 26 -4,-2.0 4,-2.0 -5,-0.2 -1,-0.2 0.909 112.7 49.7 -59.4 -43.2 -3.1 15.5 -6.2 149 55 B F H X S+ 0 0 10 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.934 108.6 52.4 -63.3 -43.1 -3.7 14.5 -2.6 150 56 B I H X S+ 0 0 82 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.909 108.6 51.6 -56.4 -43.3 -7.1 13.0 -3.6 151 57 B Q H X S+ 0 0 102 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.890 109.4 49.1 -59.9 -41.1 -5.4 11.0 -6.3 152 58 B S H X S+ 0 0 0 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.883 110.4 51.2 -68.3 -36.8 -2.8 9.6 -3.9 153 59 B K H X S+ 0 0 77 -4,-2.3 4,-1.6 2,-0.2 -1,-0.2 0.874 109.3 50.5 -66.0 -38.3 -5.6 8.6 -1.5 154 60 B Q H X S+ 0 0 108 -4,-2.1 4,-0.7 2,-0.2 -2,-0.2 0.867 106.7 54.4 -69.6 -35.2 -7.5 6.8 -4.2 155 61 B A H >X S+ 0 0 10 -4,-1.9 4,-2.5 1,-0.2 3,-0.7 0.904 109.5 48.2 -63.3 -39.1 -4.3 4.9 -5.2 156 62 B M H 3X S+ 0 0 4 -4,-1.8 4,-2.8 1,-0.2 -2,-0.2 0.817 102.8 61.4 -70.3 -29.5 -4.1 3.8 -1.6 157 63 B Q H 3< S+ 0 0 111 -4,-1.6 -1,-0.2 2,-0.2 -2,-0.2 0.685 110.7 42.1 -68.8 -17.9 -7.8 2.8 -1.7 158 64 B Q H X S+ 0 0 0 -4,-2.5 4,-2.0 1,-0.2 3,-0.5 0.889 106.5 56.1 -60.2 -48.7 -3.5 -0.8 -2.8 160 66 B I H 3X S+ 0 0 10 -4,-2.8 4,-2.6 1,-0.3 5,-0.2 0.927 106.1 47.2 -60.2 -50.6 -4.7 -1.4 0.8 161 67 B P H 3> S+ 0 0 65 0, 0.0 4,-1.8 0, 0.0 -1,-0.3 0.767 108.9 56.8 -66.8 -19.5 -7.6 -3.8 0.1 162 68 B I H < S+ 0 0 147 -4,-1.7 3,-0.8 1,-0.2 4,-0.2 0.929 113.3 46.6 -63.2 -48.2 -6.7 -25.6 4.7 177 83 B F H >< S+ 0 0 27 -4,-2.9 3,-2.1 1,-0.2 -2,-0.2 0.815 97.7 72.9 -66.3 -31.8 -3.2 -26.9 5.0 178 84 B R H >< S+ 0 0 91 -4,-2.0 3,-1.6 1,-0.3 -1,-0.2 0.820 83.9 67.6 -55.5 -34.2 -3.4 -27.4 8.8 179 85 B N T << S+ 0 0 117 -3,-0.8 -1,-0.3 -4,-0.6 -2,-0.2 0.714 112.0 31.6 -64.5 -18.0 -5.6 -30.4 8.4 180 86 B T T < S+ 0 0 46 -3,-2.1 -86,-3.0 -4,-0.2 2,-0.6 0.114 96.0 105.6-123.3 20.4 -2.8 -32.4 6.8 181 87 B D B < S-A 93 0A 15 -3,-1.6 -88,-0.2 -88,-0.3 -80,-0.0 -0.913 103.8 -20.1-105.6 118.7 0.1 -30.8 8.7 182 88 B N S S+ 0 0 118 -90,-2.3 -1,-0.2 -2,-0.6 -89,-0.1 0.820 105.8 119.7 53.5 36.1 1.6 -32.9 11.5 183 89 B A 0 0 55 -3,-0.2 -2,-0.1 1,-0.0 -1,-0.1 0.810 360.0 360.0 -99.0 -37.3 -1.6 -34.9 11.4 184 90 B Y 0 0 260 -4,-0.2 -3,-0.0 0, 0.0 -4,-0.0 0.460 360.0 360.0-117.0 360.0 -0.4 -38.4 10.5 185 !* 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 0.0 186 0 C A 0 0 97 0, 0.0 2,-0.4 0, 0.0 -157,-0.2 0.000 360.0 360.0 360.0 148.5 13.1 1.6 6.2 187 1 C M - 0 0 104 -158,-0.1 2,-0.3 -159,-0.1 -161,-0.2 -0.983 360.0-166.8-138.4 123.1 13.6 3.7 3.0 188 2 C A - 0 0 22 -163,-2.1 -160,-0.2 -2,-0.4 -159,-0.2 -0.757 31.6 -99.0-112.7 154.3 14.5 2.5 -0.4 189 3 C E - 0 0 127 -2,-0.3 2,-0.4 1,-0.1 -1,-0.0 -0.465 50.5-103.2 -68.0 139.7 15.7 4.2 -3.6 190 4 C I - 0 0 36 -2,-0.1 2,-0.2 1,-0.1 127,-0.1 -0.518 35.2-129.5 -74.0 122.0 12.8 4.8 -6.0 191 5 C K - 0 0 83 -2,-0.4 2,-0.3 1,-0.1 5,-0.1 -0.448 23.5-107.4 -73.6 139.7 12.8 2.3 -8.9 192 6 C I + 0 0 21 125,-0.2 -1,-0.1 -2,-0.2 3,-0.0 -0.492 48.7 161.9 -67.0 126.4 12.5 3.6 -12.5 193 7 C T > - 0 0 12 -2,-0.3 4,-2.4 -128,-0.1 5,-0.2 -0.864 55.7-100.9-134.1 166.3 9.1 2.9 -14.0 194 8 C P H > S+ 0 0 12 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.902 125.5 54.2 -56.0 -37.6 7.4 4.4 -17.0 195 9 C E H > S+ 0 0 33 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.864 107.7 48.4 -66.3 -36.3 5.4 6.4 -14.5 196 10 C E H > S+ 0 0 9 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.918 111.7 49.6 -68.0 -43.4 8.5 7.8 -12.9 197 11 C L H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.899 111.0 49.8 -60.8 -41.0 10.0 8.6 -16.3 198 12 C E H X S+ 0 0 58 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.864 108.7 53.2 -68.1 -34.9 6.8 10.4 -17.3 199 13 C R H X S+ 0 0 40 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.956 113.0 41.9 -62.9 -50.2 6.8 12.4 -14.1 200 14 C I H X S+ 0 0 2 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.887 111.4 56.4 -65.9 -37.5 10.4 13.7 -14.6 201 15 C A H X S+ 0 0 7 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.910 107.1 50.9 -57.0 -41.1 9.6 14.3 -18.3 202 16 C G H X S+ 0 0 24 -4,-2.1 4,-3.0 2,-0.2 5,-0.2 0.863 104.6 55.8 -65.9 -37.2 6.8 16.5 -17.0 203 17 C N H X S+ 0 0 24 -4,-1.8 4,-2.1 1,-0.2 -1,-0.2 0.923 110.4 45.6 -60.2 -43.0 9.1 18.4 -14.7 204 18 C F H X S+ 0 0 0 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.892 113.6 48.5 -67.9 -39.5 11.3 19.2 -17.7 205 19 C K H X S+ 0 0 141 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.909 113.0 48.0 -66.8 -42.2 8.4 20.2 -19.9 206 20 C N H X S+ 0 0 90 -4,-3.0 4,-2.5 2,-0.2 -2,-0.2 0.878 109.4 53.3 -62.9 -38.4 6.9 22.4 -17.1 207 21 C A H X S+ 0 0 4 -4,-2.1 4,-2.4 -5,-0.2 -2,-0.2 0.893 105.8 54.0 -66.8 -37.9 10.3 24.0 -16.6 208 22 C A H X S+ 0 0 4 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.928 110.6 46.5 -56.9 -46.7 10.5 24.8 -20.3 209 23 C G H X S+ 0 0 42 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.878 111.3 50.9 -66.9 -39.3 7.1 26.5 -20.0 210 24 C E H X S+ 0 0 56 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.877 109.6 51.4 -62.4 -39.1 8.1 28.4 -16.9 211 25 C A H X S+ 0 0 4 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.910 110.2 48.3 -66.2 -41.2 11.3 29.6 -18.7 212 26 C Q H X S+ 0 0 90 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.906 110.1 52.8 -63.8 -41.2 9.2 30.8 -21.6 213 27 C S H X S+ 0 0 50 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.890 108.5 50.3 -61.2 -39.6 6.9 32.6 -19.2 214 28 C Q H X S+ 0 0 11 -4,-2.1 4,-2.7 2,-0.2 5,-0.3 0.925 109.8 49.6 -64.9 -45.9 9.9 34.3 -17.6 215 29 C I H X S+ 0 0 5 -4,-2.4 4,-2.6 1,-0.2 5,-0.2 0.923 111.6 50.5 -56.5 -43.7 11.2 35.5 -20.9 216 30 C N H X S+ 0 0 85 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.904 111.3 47.3 -62.7 -42.3 7.7 36.8 -21.7 217 31 C R H X S+ 0 0 133 -4,-2.3 4,-1.5 2,-0.2 -1,-0.2 0.933 114.3 45.4 -64.7 -47.3 7.5 38.7 -18.5 218 32 C L H X S+ 0 0 5 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.898 111.9 52.2 -67.0 -37.7 11.0 40.2 -18.8 219 33 C E H X S+ 0 0 43 -4,-2.6 4,-3.0 -5,-0.3 -1,-0.2 0.896 105.3 56.7 -62.5 -37.6 10.3 41.1 -22.4 220 34 C G H X S+ 0 0 31 -4,-2.0 4,-1.6 2,-0.2 -1,-0.2 0.860 105.2 51.1 -61.1 -37.6 7.1 42.8 -21.2 221 35 C D H X S+ 0 0 35 -4,-1.5 4,-0.5 2,-0.2 -1,-0.2 0.924 110.9 47.2 -63.6 -46.8 9.2 45.0 -18.9 222 36 C I H >X S+ 0 0 0 -4,-2.1 3,-1.3 1,-0.2 4,-0.6 0.909 109.6 54.9 -61.6 -40.3 11.5 46.0 -21.7 223 37 C N H >< S+ 0 0 76 -4,-3.0 3,-1.3 1,-0.3 -1,-0.2 0.882 100.6 59.8 -56.8 -38.7 8.4 46.7 -23.9 224 38 C S H 3< S+ 0 0 60 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.652 98.0 59.9 -69.7 -14.3 7.1 49.0 -21.2 225 39 C L H X< S+ 0 0 0 -3,-1.3 3,-2.4 -4,-0.5 4,-0.3 0.672 76.5 116.5 -85.8 -18.2 10.2 51.2 -21.6 226 40 C E T << S+ 0 0 92 -3,-1.3 4,-0.1 -4,-0.6 5,-0.1 -0.270 88.4 4.5 -53.0 125.6 9.5 51.9 -25.3 227 41 C G T 3 S+ 0 0 64 2,-0.3 -1,-0.3 1,-0.1 4,-0.1 0.409 103.1 102.0 80.9 -1.9 9.0 55.6 -25.8 228 42 C Q S < S- 0 0 45 -3,-2.4 52,-1.8 2,-0.1 53,-1.7 0.364 94.2 -1.3 -94.4 2.8 9.7 56.4 -22.2 229 43 C W S S- 0 0 13 -4,-0.3 -2,-0.3 50,-0.2 50,-0.1 -0.940 107.7 -33.3-170.3-176.7 13.3 57.7 -23.1 230 44 C A > - 0 0 28 -2,-0.3 4,-2.2 1,-0.1 3,-0.2 -0.142 49.8-128.3 -54.4 143.3 15.6 58.1 -26.0 231 45 C G H > S+ 0 0 60 1,-0.2 4,-2.6 2,-0.2 5,-0.1 0.869 110.2 56.0 -59.9 -38.3 15.4 55.5 -28.8 232 46 C A H > S+ 0 0 84 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.848 107.2 49.5 -64.7 -34.7 19.2 54.9 -28.6 233 47 C T H > S+ 0 0 45 -3,-0.2 4,-1.6 2,-0.2 3,-0.3 0.944 111.8 47.6 -66.8 -49.2 18.8 54.1 -24.9 234 48 C Q H X S+ 0 0 5 -4,-2.2 4,-2.9 1,-0.2 5,-0.2 0.898 107.0 58.2 -56.6 -41.0 16.0 51.7 -25.5 235 49 C A H X S+ 0 0 63 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.860 103.2 53.4 -59.9 -38.1 18.0 50.1 -28.3 236 50 C K H X S+ 0 0 93 -4,-1.3 4,-2.2 -3,-0.3 -1,-0.2 0.940 113.1 41.6 -60.6 -49.4 20.8 49.3 -25.8 237 51 C F H X S+ 0 0 0 -4,-1.6 4,-2.6 2,-0.2 -2,-0.2 0.860 112.8 53.2 -72.2 -35.4 18.5 47.5 -23.4 238 52 C R H X S+ 0 0 52 -4,-2.9 4,-2.7 2,-0.2 -1,-0.2 0.929 111.1 47.6 -60.2 -45.2 16.6 45.7 -26.1 239 53 C G H X S+ 0 0 33 -4,-2.2 4,-1.7 -5,-0.2 -2,-0.2 0.918 112.3 48.8 -64.1 -44.8 19.8 44.4 -27.5 240 54 C Q H X S+ 0 0 38 -4,-2.2 4,-1.5 1,-0.2 -1,-0.2 0.903 112.7 48.7 -57.9 -45.6 21.0 43.3 -24.1 241 55 C F H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.911 105.4 57.1 -64.1 -41.0 17.7 41.6 -23.5 242 56 C I H X S+ 0 0 70 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.869 102.9 56.2 -60.6 -33.6 17.8 39.8 -26.8 243 57 C Q H X S+ 0 0 111 -4,-1.7 4,-1.7 2,-0.2 -1,-0.2 0.923 108.8 45.6 -62.1 -43.4 21.2 38.4 -25.7 244 58 C S H X S+ 0 0 0 -4,-1.5 4,-2.0 1,-0.2 -2,-0.2 0.894 112.0 52.9 -63.9 -37.4 19.5 36.9 -22.6 245 59 C K H X S+ 0 0 53 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.891 106.3 52.2 -67.8 -37.8 16.6 35.7 -24.8 246 60 C Q H < S+ 0 0 109 -4,-2.5 4,-0.4 2,-0.2 -1,-0.2 0.869 107.0 52.9 -66.2 -36.5 19.0 33.9 -27.2 247 61 C A H >X S+ 0 0 11 -4,-1.7 4,-1.8 1,-0.2 3,-1.1 0.915 111.3 46.9 -62.6 -42.9 20.6 32.1 -24.3 248 62 C M H 3X S+ 0 0 2 -4,-2.0 4,-2.7 1,-0.2 -2,-0.2 0.828 101.3 64.4 -70.2 -29.0 17.2 30.9 -23.2 249 63 C Q H 3< S+ 0 0 111 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.626 107.4 44.7 -69.5 -10.0 16.4 29.9 -26.7 250 64 C Q H <> S+ 0 0 126 -3,-1.1 4,-1.2 -4,-0.4 -2,-0.2 0.819 114.0 48.3 -88.3 -45.2 19.2 27.4 -26.3 251 65 C Y H X S+ 0 0 0 -4,-1.8 4,-2.2 1,-0.2 3,-0.4 0.929 105.1 56.7 -60.8 -52.3 18.1 26.2 -22.8 252 66 C I H X S+ 0 0 18 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.909 108.0 45.2 -52.9 -51.9 14.4 25.7 -23.5 253 67 C P H > S+ 0 0 64 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.798 109.2 57.6 -67.1 -25.6 14.8 23.2 -26.3 254 68 C I H X S+ 0 0 28 -4,-1.2 4,-2.0 -3,-0.4 -2,-0.2 0.940 108.2 46.4 -64.8 -44.7 17.5 21.3 -24.3 255 69 C L H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.924 113.0 50.0 -59.5 -44.2 14.9 20.8 -21.5 256 70 C E H X S+ 0 0 91 -4,-2.3 4,-2.8 1,-0.2 -1,-0.2 0.871 107.2 54.0 -63.8 -37.7 12.3 19.7 -24.1 257 71 C G H X S+ 0 0 24 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.889 108.9 49.0 -61.3 -41.0 14.8 17.3 -25.6 258 72 C I H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 5,-0.2 0.937 110.5 50.9 -64.2 -45.7 15.3 15.7 -22.2 259 73 C S H X S+ 0 0 15 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.939 112.1 46.9 -55.0 -50.2 11.5 15.5 -21.7 260 74 C T H X S+ 0 0 84 -4,-2.8 4,-2.6 1,-0.2 -1,-0.2 0.918 112.1 49.9 -58.7 -45.0 11.1 13.8 -25.1 261 75 C D H X S+ 0 0 24 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.884 110.9 48.3 -66.3 -38.5 13.9 11.3 -24.5 262 76 C L H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.920 112.5 49.2 -66.4 -41.6 12.5 10.3 -21.1 263 77 C K H X S+ 0 0 80 -4,-2.4 4,-2.3 -5,-0.2 -2,-0.2 0.883 108.1 55.4 -62.9 -39.3 9.1 9.9 -22.6 264 78 C R H X S+ 0 0 127 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.926 110.8 43.3 -55.4 -50.0 10.6 7.8 -25.3 265 79 C I H X S+ 0 0 26 -4,-2.0 4,-2.6 2,-0.2 5,-0.2 0.878 110.1 56.4 -70.5 -35.1 12.2 5.4 -22.8 266 80 C A H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.918 108.9 47.7 -59.1 -42.3 9.0 5.3 -20.8 267 81 C D H X S+ 0 0 58 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.888 110.2 52.4 -66.0 -40.6 7.2 4.2 -23.9 268 82 C K H X S+ 0 0 112 -4,-2.1 4,-2.2 2,-0.2 5,-0.2 0.915 111.4 46.0 -60.9 -45.1 9.9 1.5 -24.6 269 83 C F H X S+ 0 0 71 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.935 114.4 47.6 -63.4 -46.3 9.6 0.1 -21.1 270 84 C R H X S+ 0 0 88 -4,-2.4 4,-1.2 1,-0.2 -2,-0.2 0.906 113.6 47.5 -64.6 -40.3 5.8 0.1 -21.1 271 85 C N H X S+ 0 0 110 -4,-2.6 4,-1.3 2,-0.2 -1,-0.2 0.857 113.9 46.6 -71.1 -35.3 5.7 -1.6 -24.6 272 86 C T H X S+ 0 0 79 -4,-2.2 4,-0.7 -5,-0.2 -2,-0.2 0.895 110.5 53.2 -71.2 -40.9 8.2 -4.2 -23.7 273 87 C D H < S+ 0 0 118 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.800 115.6 41.6 -62.1 -28.6 6.5 -5.0 -20.4 274 88 C N H < S+ 0 0 79 -4,-1.2 -1,-0.2 -5,-0.2 -2,-0.2 0.711 103.7 61.7 -94.9 -23.6 3.2 -5.5 -22.2 275 89 C A H < 0 0 79 -4,-1.3 -2,-0.1 1,-0.2 -1,-0.1 0.594 360.0 360.0 -90.9 -11.8 4.1 -7.5 -25.4 276 90 C Y < 0 0 254 -4,-0.7 -1,-0.2 -3,-0.1 -2,-0.1 0.468 360.0 360.0-115.0 360.0 5.5 -10.7 -23.8 277 !* 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 0.0 278 3 D E 0 0 174 0, 0.0 2,-1.0 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0 -39.2 11.7 62.9 -23.3 279 4 D I + 0 0 84 1,-0.2 -50,-0.2 -50,-0.1 -51,-0.1 -0.751 360.0 157.0 -88.3 100.3 12.5 60.9 -20.2 280 5 D K + 0 0 159 -52,-1.8 2,-0.2 -2,-1.0 -1,-0.2 0.626 44.9 96.9 -97.7 -18.3 9.1 59.8 -18.7 281 6 D I - 0 0 20 -53,-1.7 -56,-0.0 -3,-0.2 3,-0.0 -0.534 69.3-138.0 -74.8 134.7 10.5 56.8 -16.8 282 7 D T > - 0 0 62 -2,-0.2 4,-2.0 1,-0.1 5,-0.2 -0.573 18.8-118.4 -86.6 156.4 11.2 57.4 -13.1 283 8 D P H > S+ 0 0 22 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.892 116.3 56.8 -59.3 -39.0 14.3 56.1 -11.3 284 9 D E H > S+ 0 0 108 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.893 106.5 47.8 -58.7 -42.5 11.9 54.2 -9.1 285 10 D E H > S+ 0 0 61 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.887 109.6 52.9 -67.5 -39.1 10.3 52.4 -12.0 286 11 D L H X S+ 0 0 0 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.878 108.7 51.8 -59.2 -37.0 13.7 51.6 -13.5 287 12 D E H X S+ 0 0 65 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.854 105.5 54.4 -72.1 -34.1 14.6 50.1 -10.1 288 13 D R H X S+ 0 0 160 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.952 110.5 45.4 -58.5 -51.9 11.4 47.9 -10.1 289 14 D I H X S+ 0 0 3 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.904 109.2 56.6 -62.2 -39.3 12.3 46.4 -13.5 290 15 D A H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.887 105.8 51.8 -57.3 -39.4 15.9 45.9 -12.2 291 16 D G H X S+ 0 0 30 -4,-1.9 4,-3.0 1,-0.2 -1,-0.2 0.876 105.8 53.6 -65.4 -39.2 14.5 43.9 -9.3 292 17 D N H X S+ 0 0 73 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.895 110.4 47.2 -60.9 -40.8 12.5 41.7 -11.7 293 18 D F H X S+ 0 0 0 -4,-2.1 4,-1.6 2,-0.2 -2,-0.2 0.907 113.4 48.0 -67.9 -40.3 15.7 40.9 -13.7 294 19 D K H X S+ 0 0 115 -4,-2.2 4,-1.4 1,-0.2 -2,-0.2 0.922 113.9 47.4 -62.7 -46.0 17.6 40.2 -10.4 295 20 D N H X S+ 0 0 50 -4,-3.0 4,-2.4 1,-0.2 -2,-0.2 0.867 107.4 56.2 -63.7 -38.6 14.8 38.0 -9.2 296 21 D A H X S+ 0 0 3 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.879 104.0 54.0 -63.3 -36.7 14.6 36.2 -12.6 297 22 D A H X S+ 0 0 6 -4,-1.6 4,-1.6 1,-0.2 -1,-0.2 0.895 110.3 46.9 -64.1 -40.0 18.3 35.2 -12.3 298 23 D G H X S+ 0 0 22 -4,-1.4 4,-2.0 2,-0.2 -2,-0.2 0.899 112.2 49.7 -67.2 -42.1 17.6 33.7 -8.8 299 24 D E H X S+ 0 0 24 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.864 107.8 53.9 -65.0 -38.0 14.6 31.8 -10.1 300 25 D A H X S+ 0 0 5 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.911 109.4 48.0 -64.5 -42.7 16.4 30.4 -13.1 301 26 D Q H X S+ 0 0 84 -4,-1.6 4,-1.8 1,-0.2 -1,-0.2 0.886 110.9 51.0 -64.2 -38.8 19.1 29.0 -10.8 302 27 D S H X S+ 0 0 19 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.904 109.8 51.4 -66.0 -38.9 16.6 27.5 -8.5 303 28 D Q H X S+ 0 0 14 -4,-2.4 4,-2.2 2,-0.2 5,-0.2 0.944 109.5 47.1 -61.4 -50.5 14.8 25.8 -11.4 304 29 D I H X S+ 0 0 7 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.852 109.2 56.6 -66.3 -29.9 18.0 24.2 -12.8 305 30 D N H X S+ 0 0 82 -4,-1.8 4,-1.7 2,-0.2 -1,-0.2 0.907 107.3 47.6 -63.5 -43.0 18.9 23.0 -9.3 306 31 D R H X S+ 0 0 41 -4,-1.9 4,-1.5 1,-0.2 -2,-0.2 0.918 112.7 49.2 -63.3 -42.4 15.5 21.2 -9.0 307 32 D L H X S+ 0 0 6 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.866 106.9 55.2 -66.0 -36.5 16.0 19.6 -12.4 308 33 D E H X S+ 0 0 52 -4,-2.2 4,-2.9 1,-0.2 -1,-0.2 0.895 103.7 55.8 -64.2 -37.2 19.5 18.5 -11.6 309 34 D G H X S+ 0 0 40 -4,-1.7 4,-1.7 1,-0.2 -1,-0.2 0.889 107.1 49.9 -59.9 -39.5 18.1 16.8 -8.6 310 35 D D H X S+ 0 0 20 -4,-1.5 4,-0.7 2,-0.2 -2,-0.2 0.919 110.9 48.6 -64.1 -44.9 15.8 14.9 -10.9 311 36 D I H >X S+ 0 0 3 -4,-2.2 3,-1.3 1,-0.2 4,-0.7 0.939 110.6 50.5 -62.5 -45.6 18.7 13.9 -13.2 312 37 D N H >< S+ 0 0 86 -4,-2.9 3,-1.0 1,-0.3 4,-0.3 0.855 102.0 62.8 -59.6 -34.4 20.8 12.7 -10.3 313 38 D S H 3< S+ 0 0 56 -4,-1.7 3,-0.4 1,-0.3 -1,-0.3 0.709 100.0 53.8 -66.0 -20.5 17.9 10.6 -9.0 314 39 D L H X< S+ 0 0 4 -3,-1.3 3,-1.2 -4,-0.7 -1,-0.3 0.715 84.2 88.3 -83.3 -21.2 18.0 8.5 -12.2 315 40 D E T << S+ 0 0 97 -3,-1.0 3,-0.2 -4,-0.7 -1,-0.2 0.641 88.1 48.4 -56.7 -19.9 21.7 7.7 -11.8 316 41 D G T 3 S+ 0 0 53 -3,-0.4 -1,-0.3 -4,-0.3 -2,-0.1 0.813 106.2 53.5 -87.5 -28.1 21.0 4.6 -9.7 317 42 D Q S < S+ 0 0 64 -3,-1.2 2,-0.3 -4,-0.2 -125,-0.2 0.010 101.0 30.2-114.5 23.8 18.4 2.8 -11.7 318 43 D W S S- 0 0 39 -4,-0.2 5,-0.1 -3,-0.2 0, 0.0 -0.975 93.0 -45.9-163.9 178.6 19.4 2.2 -15.3 319 44 D A > - 0 0 59 -2,-0.3 4,-2.1 1,-0.1 5,-0.2 -0.093 43.9-129.7 -54.6 142.4 22.3 1.7 -17.7 320 45 D G H > S+ 0 0 59 1,-0.2 4,-2.3 2,-0.2 -1,-0.1 0.833 109.8 58.3 -61.1 -34.8 25.4 3.9 -17.3 321 46 D A H > S+ 0 0 80 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.911 106.7 48.7 -60.3 -43.5 25.3 4.6 -21.0 322 47 D T H > S+ 0 0 43 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.933 111.8 46.6 -63.0 -48.6 21.7 6.0 -20.6 323 48 D Q H X S+ 0 0 4 -4,-2.1 4,-2.6 1,-0.2 5,-0.2 0.875 108.8 58.5 -62.7 -35.2 22.6 8.2 -17.6 324 49 D A H X S+ 0 0 52 -4,-2.3 4,-1.7 -5,-0.2 -1,-0.2 0.892 105.3 48.4 -60.5 -42.1 25.6 9.4 -19.6 325 50 D K H X S+ 0 0 113 -4,-1.7 4,-2.1 2,-0.2 -1,-0.2 0.931 113.3 47.5 -64.7 -43.5 23.4 10.7 -22.4 326 51 D F H X S+ 0 0 3 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.875 111.3 48.8 -68.6 -37.1 21.1 12.5 -20.0 327 52 D R H X S+ 0 0 86 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.841 108.4 56.4 -71.9 -28.7 23.9 14.1 -18.0 328 53 D G H X S+ 0 0 36 -4,-1.7 4,-1.4 -5,-0.2 -2,-0.2 0.948 111.3 41.8 -61.8 -51.0 25.4 15.2 -21.3 329 54 D Q H X S+ 0 0 19 -4,-2.1 4,-1.5 1,-0.2 3,-0.2 0.914 113.4 53.9 -60.9 -43.7 22.2 17.0 -22.3 330 55 D F H X S+ 0 0 4 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.886 104.1 54.3 -64.2 -36.7 21.8 18.4 -18.8 331 56 D I H X S+ 0 0 81 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.854 104.4 56.1 -64.0 -33.8 25.3 19.9 -18.8 332 57 D Q H X S+ 0 0 102 -4,-1.4 4,-1.9 -3,-0.2 -1,-0.2 0.886 106.1 50.4 -61.2 -38.5 24.3 21.7 -22.1 333 58 D S H X S+ 0 0 0 -4,-1.5 4,-2.2 1,-0.2 -2,-0.2 0.885 108.5 52.4 -69.1 -36.7 21.4 23.2 -20.2 334 59 D K H X S+ 0 0 66 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.907 107.1 52.9 -61.6 -42.8 23.7 24.3 -17.4 335 60 D Q H X S+ 0 0 114 -4,-2.3 4,-0.9 2,-0.2 -2,-0.2 0.886 110.1 46.9 -61.1 -41.6 26.0 26.0 -20.0 336 61 D A H >X S+ 0 0 10 -4,-1.9 4,-2.2 2,-0.2 3,-0.6 0.913 112.1 50.4 -66.6 -41.4 23.1 28.0 -21.4 337 62 D M H 3X S+ 0 0 3 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.886 105.8 57.5 -61.6 -38.2 21.9 28.9 -17.9 338 63 D Q H 3< S+ 0 0 140 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.726 110.3 43.4 -67.7 -24.8 25.5 30.0 -17.2 339 64 D Q H S+ 0 0 70 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.826 109.5 54.2 -66.0 -28.5 25.1 37.0 -15.9 343 68 D I H X S+ 0 0 36 -4,-1.0 4,-2.2 -3,-0.4 -2,-0.2 0.929 109.0 47.5 -66.7 -43.6 23.3 38.8 -18.7 344 69 D L H X S+ 0 0 0 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.911 112.5 49.7 -61.1 -42.9 20.2 39.3 -16.5 345 70 D E H X S+ 0 0 108 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.879 109.7 51.8 -64.2 -39.1 22.4 40.5 -13.7 346 71 D G H X S+ 0 0 26 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.877 109.2 49.1 -64.7 -39.4 24.1 43.0 -16.1 347 72 D I H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.919 109.5 53.6 -65.5 -41.6 20.7 44.3 -17.2 348 73 D S H X S+ 0 0 4 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.952 112.9 41.9 -56.9 -52.2 19.6 44.7 -13.6 349 74 D T H X S+ 0 0 74 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.894 111.7 55.3 -64.5 -40.3 22.7 46.8 -12.7 350 75 D D H X S+ 0 0 24 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.884 108.4 49.0 -59.8 -39.0 22.5 48.8 -15.9 351 76 D L H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.907 112.2 47.8 -68.2 -41.8 19.0 49.8 -15.1 352 77 D K H X S+ 0 0 74 -4,-2.0 4,-2.3 -5,-0.2 -2,-0.2 0.864 108.6 55.5 -66.1 -35.0 19.9 50.8 -11.6 353 78 D R H X S+ 0 0 108 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.894 109.2 46.1 -65.3 -39.5 22.9 52.8 -12.9 354 79 D I H X S+ 0 0 22 -4,-1.8 4,-2.6 2,-0.2 -1,-0.2 0.891 109.4 55.0 -72.7 -35.2 20.7 54.8 -15.2 355 80 D A H X S+ 0 0 0 -4,-2.1 4,-1.5 1,-0.2 -2,-0.2 0.921 108.3 50.1 -57.4 -43.1 18.2 55.4 -12.4 356 81 D D H X S+ 0 0 79 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.917 110.2 49.4 -61.3 -44.9 21.1 56.8 -10.4 357 82 D K H X S+ 0 0 117 -4,-2.0 4,-3.6 2,-0.2 -2,-0.2 0.903 105.0 56.8 -62.1 -43.2 22.1 59.1 -13.2 358 83 D F H < S+ 0 0 48 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.843 112.4 43.6 -58.7 -33.6 18.6 60.4 -13.6 359 84 D R H < S+ 0 0 107 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.814 113.9 50.9 -75.3 -34.1 18.8 61.4 -9.9 360 85 D N H < 0 0 132 -4,-2.0 -2,-0.2 -5,-0.1 -3,-0.2 0.881 360.0 360.0 -72.8 -39.2 22.3 62.8 -10.4 361 86 D T < 0 0 144 -4,-3.6 0, 0.0 -5,-0.1 0, 0.0 -0.134 360.0 360.0-100.3 360.0 21.3 64.9 -13.4