==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-JUL-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION 17-APR-12 4EPZ . COMPND 2 MOLECULE: TRANSCRIPTION ANTI-TERMINATOR ANTAGONIST UPXZ; . SOURCE 2 ORGANISM_SCIENTIFIC: BACTEROIDES UNIFORMIS ATCC 8492; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 154 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9332.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 110 71.4 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 . 3 1.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 93 60.4 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 1 1 1 1 1 1 1 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 2 A N 0 0 169 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 29.2 -10.7 37.3 30.2 2 3 A S > - 0 0 61 1,-0.1 4,-2.8 4,-0.0 5,-0.2 -0.209 360.0-101.8 -68.7 165.5 -11.3 33.5 30.7 3 4 A L H > S+ 0 0 32 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.915 125.6 46.6 -52.6 -48.1 -9.8 31.5 33.6 4 5 A L H > S+ 0 0 62 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.898 111.1 50.8 -64.3 -44.1 -7.2 30.1 31.3 5 6 A S H > S+ 0 0 49 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.918 112.3 48.2 -57.8 -45.6 -6.4 33.6 29.8 6 7 A R H X S+ 0 0 46 -4,-2.8 4,-2.5 2,-0.2 -2,-0.2 0.888 112.7 48.3 -60.3 -45.0 -6.0 34.9 33.3 7 8 A A H X S+ 0 0 0 -4,-2.4 4,-2.7 -5,-0.2 -2,-0.2 0.914 112.1 47.3 -65.2 -43.6 -3.7 32.0 34.3 8 9 A L H X S+ 0 0 59 -4,-2.9 4,-2.1 2,-0.2 -2,-0.2 0.887 111.9 51.7 -65.9 -35.9 -1.5 32.4 31.2 9 10 A E H X S+ 0 0 57 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.929 111.4 47.2 -63.1 -45.9 -1.3 36.2 31.9 10 11 A L H X S+ 0 0 0 -4,-2.5 4,-2.9 2,-0.2 5,-0.3 0.889 110.1 52.1 -63.0 -44.0 -0.2 35.4 35.5 11 12 A Q H X S+ 0 0 19 -4,-2.7 4,-2.1 2,-0.2 -1,-0.2 0.926 113.3 45.6 -57.0 -44.2 2.4 32.8 34.4 12 13 A R H X S+ 0 0 155 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.922 115.6 45.1 -63.6 -48.9 3.8 35.4 31.9 13 14 A X H X S+ 0 0 31 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.888 112.5 50.5 -65.5 -41.4 3.8 38.3 34.5 14 15 A A H X S+ 0 0 0 -4,-2.9 4,-2.3 2,-0.2 -1,-0.2 0.915 112.2 48.2 -64.2 -41.6 5.3 36.1 37.3 15 16 A H H X S+ 0 0 56 -4,-2.1 4,-2.0 -5,-0.3 -2,-0.2 0.930 111.1 50.9 -60.1 -47.3 8.1 35.0 34.9 16 17 A E H < S+ 0 0 104 -4,-2.5 -2,-0.2 1,-0.2 4,-0.2 0.896 111.4 48.3 -55.0 -47.4 8.7 38.7 33.9 17 18 A L H >< S+ 0 0 12 -4,-2.5 3,-1.0 1,-0.2 -1,-0.2 0.908 112.8 47.0 -64.2 -43.7 9.0 39.7 37.5 18 19 A X H 3< S+ 0 0 66 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.804 113.2 48.1 -71.8 -28.8 11.4 36.8 38.5 19 20 A Y T 3< 0 0 101 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.271 360.0 360.0 -96.6 12.1 13.7 37.4 35.4 20 21 A L < 0 0 143 -3,-1.0 -3,-0.1 -4,-0.2 -4,-0.0 -0.317 360.0 360.0 -73.2 360.0 14.0 41.2 36.0 21 ! 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 22 28 A I 0 0 131 0, 0.0 2,-1.8 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -37.2 15.3 49.1 44.3 23 29 A Y + 0 0 160 4,-0.1 2,-0.1 3,-0.1 0, 0.0 -0.498 360.0 164.1 -81.8 70.1 11.7 49.7 45.7 24 30 A S > - 0 0 62 -2,-1.8 4,-2.4 1,-0.1 5,-0.2 -0.359 54.0-106.4 -79.7 165.5 10.4 52.0 43.0 25 31 A D H > S+ 0 0 155 1,-0.2 4,-2.3 2,-0.2 -1,-0.1 0.884 124.1 47.9 -57.7 -41.2 6.6 52.8 42.5 26 32 A E H > S+ 0 0 55 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.907 108.6 52.2 -66.7 -47.2 6.7 50.5 39.4 27 33 A F H > S+ 0 0 53 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.931 114.2 43.8 -56.3 -46.0 8.5 47.7 41.2 28 34 A C H X S+ 0 0 33 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.915 112.7 52.8 -64.6 -42.9 5.9 47.8 44.0 29 35 A R H X S+ 0 0 139 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.896 112.7 44.0 -57.3 -49.3 3.0 48.1 41.3 30 36 A L H X S+ 0 0 16 -4,-2.9 4,-2.1 2,-0.2 -1,-0.2 0.870 115.7 46.9 -65.3 -43.4 4.3 44.9 39.5 31 37 A N H X S+ 0 0 1 -4,-2.3 4,-1.8 -5,-0.3 -2,-0.2 0.884 115.4 47.8 -65.9 -37.0 4.8 43.0 42.7 32 38 A K H X S+ 0 0 118 -4,-2.7 4,-3.1 2,-0.2 -2,-0.2 0.889 110.1 51.0 -68.8 -45.0 1.4 44.1 43.9 33 39 A E H X S+ 0 0 58 -4,-2.8 4,-2.8 2,-0.2 5,-0.2 0.889 109.2 50.4 -62.4 -41.3 -0.3 43.2 40.6 34 40 A V H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.936 114.1 45.7 -63.0 -41.2 1.2 39.7 40.6 35 41 A L H X S+ 0 0 25 -4,-1.8 4,-3.1 2,-0.2 -2,-0.2 0.949 113.4 49.3 -64.7 -46.7 -0.1 39.3 44.3 36 42 A T H X S+ 0 0 74 -4,-3.1 4,-2.4 1,-0.2 -2,-0.2 0.904 113.4 46.0 -57.3 -48.9 -3.5 40.7 43.3 37 43 A R H X S+ 0 0 66 -4,-2.8 4,-2.1 2,-0.2 -1,-0.2 0.875 113.3 49.4 -63.2 -41.5 -3.8 38.4 40.3 38 44 A S H X S+ 0 0 0 -4,-2.3 4,-1.9 -5,-0.2 -2,-0.2 0.956 112.3 48.1 -63.1 -47.5 -2.7 35.3 42.3 39 45 A D H X S+ 0 0 61 -4,-3.1 4,-0.6 1,-0.2 -2,-0.2 0.895 111.4 50.5 -60.3 -42.1 -5.2 36.2 45.1 40 46 A S H < S+ 0 0 64 -4,-2.4 3,-0.4 1,-0.2 -1,-0.2 0.896 116.3 40.6 -64.0 -40.8 -8.0 36.6 42.5 41 47 A L H >< S+ 0 0 4 -4,-2.1 3,-1.8 1,-0.2 -1,-0.2 0.706 94.2 84.5 -80.2 -21.8 -7.3 33.2 40.8 42 48 A F H 3< S+ 0 0 36 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.1 0.827 88.1 50.8 -53.0 -39.8 -6.6 31.3 44.1 43 49 A S T 3< S+ 0 0 90 -4,-0.6 -1,-0.3 -3,-0.4 2,-0.2 0.557 88.0 105.7 -78.0 -8.8 -10.4 30.5 44.8 44 50 A E < - 0 0 66 -3,-1.8 2,-0.4 -4,-0.1 -3,-0.0 -0.516 51.1-168.9 -76.7 138.7 -10.9 29.1 41.2 45 51 A Q - 0 0 116 -2,-0.2 2,-0.4 10,-0.0 -2,-0.0 -0.977 1.7-161.7-127.4 138.0 -11.2 25.3 40.9 46 52 A S - 0 0 19 -2,-0.4 6,-0.0 1,-0.1 -2,-0.0 -0.982 20.6-163.9-128.4 138.6 -11.2 23.4 37.6 47 53 A S S S+ 0 0 130 -2,-0.4 2,-0.4 5,-0.0 -1,-0.1 0.733 74.5 89.4 -85.0 -22.5 -12.3 19.9 36.8 48 54 A D S > S- 0 0 86 1,-0.1 4,-3.3 2,-0.0 5,-0.2 -0.625 73.4-146.4 -77.4 122.5 -10.3 19.9 33.5 49 55 A I H > S+ 0 0 48 -2,-0.4 4,-2.6 1,-0.2 -1,-0.1 0.863 95.9 48.1 -63.3 -37.1 -6.8 18.6 34.2 50 56 A E H > S+ 0 0 128 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.915 115.8 44.3 -68.7 -41.6 -5.0 20.8 31.6 51 57 A E H > S+ 0 0 56 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.958 114.1 50.3 -65.7 -46.3 -6.8 24.0 32.9 52 58 A E H X S+ 0 0 15 -4,-3.3 4,-2.8 1,-0.2 5,-0.2 0.903 109.5 52.0 -56.5 -44.0 -6.2 22.9 36.5 53 59 A G H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.912 111.7 45.6 -57.5 -46.8 -2.5 22.4 35.7 54 60 A N H X S+ 0 0 15 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.888 113.5 49.6 -66.5 -40.5 -2.2 25.9 34.1 55 61 A L H X S+ 0 0 1 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.940 113.9 45.6 -60.6 -50.0 -4.1 27.5 37.1 56 62 A C H X S+ 0 0 0 -4,-2.8 4,-2.5 2,-0.2 5,-0.2 0.888 113.1 49.4 -61.4 -44.1 -1.8 25.7 39.6 57 63 A L H X S+ 0 0 1 -4,-2.6 4,-2.7 -5,-0.2 5,-0.2 0.944 111.1 49.6 -62.7 -45.0 1.3 26.6 37.8 58 64 A A H X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.2 -2,-0.2 0.902 113.4 47.4 -57.1 -42.9 0.2 30.3 37.5 59 65 A L H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 5,-0.2 0.903 113.4 45.9 -68.2 -43.1 -0.6 30.4 41.3 60 66 A L H X S+ 0 0 0 -4,-2.5 4,-1.6 2,-0.2 -1,-0.2 0.910 117.3 44.3 -66.4 -44.5 2.7 28.7 42.4 61 67 A X H X S+ 0 0 12 -4,-2.7 4,-2.5 -5,-0.2 -2,-0.2 0.929 114.6 50.7 -62.3 -44.9 4.7 31.0 40.1 62 68 A G H X S+ 0 0 0 -4,-2.8 4,-2.3 -5,-0.2 -2,-0.2 0.937 112.1 44.1 -59.7 -54.1 2.7 34.1 41.2 63 69 A Y H < S+ 0 0 1 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.809 117.0 47.6 -67.7 -25.9 3.1 33.5 44.9 64 70 A N H < S+ 0 0 53 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.848 112.7 49.8 -79.4 -32.9 6.8 32.7 44.5 65 71 A A H < S+ 0 0 12 -4,-2.5 -2,-0.2 -5,-0.1 2,-0.2 0.882 95.0 79.7 -70.9 -45.6 7.4 35.8 42.2 66 72 A T < - 0 0 4 -4,-2.3 -35,-0.1 -5,-0.2 -34,-0.1 -0.471 65.9-149.6 -72.0 141.2 5.8 38.5 44.4 67 73 A I S S+ 0 0 66 -2,-0.2 2,-0.2 -39,-0.1 -1,-0.1 0.667 72.0 99.0 -75.3 -22.6 7.7 40.0 47.4 68 74 A Y + 0 0 72 -37,-0.2 2,-0.3 2,-0.0 -2,-0.1 -0.480 45.4 172.3 -76.6 139.7 4.4 40.5 49.2 69 75 A D - 0 0 81 -2,-0.2 -2,-0.0 4,-0.0 -6,-0.0 -0.911 20.5-165.9-149.2 112.3 3.3 38.0 51.9 70 76 A N - 0 0 109 -2,-0.3 -2,-0.0 1,-0.0 -1,-0.0 0.178 61.0 -94.9 -84.7 13.3 0.2 38.7 54.1 71 77 A G S S+ 0 0 71 1,-0.0 4,-0.1 0, 0.0 -1,-0.0 0.337 119.5 73.2 89.4 -4.2 1.3 35.8 56.4 72 78 A D > + 0 0 50 2,-0.1 4,-2.5 3,-0.1 5,-0.2 0.319 64.1 95.7-117.6 -2.7 -1.0 33.3 54.7 73 79 A K H > S+ 0 0 15 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.904 83.5 51.5 -61.9 -41.6 1.0 32.8 51.5 74 80 A E H > S+ 0 0 104 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.928 111.3 47.9 -62.1 -43.7 2.9 29.6 52.8 75 81 A R H > S+ 0 0 126 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.935 112.1 50.0 -60.2 -47.1 -0.5 28.0 53.7 76 82 A K H X S+ 0 0 20 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.882 106.1 56.3 -60.3 -37.3 -1.9 28.9 50.2 77 83 A K H X S+ 0 0 12 -4,-2.6 4,-2.9 1,-0.2 -1,-0.2 0.911 105.8 51.1 -63.4 -36.0 1.2 27.4 48.5 78 84 A Q H X S+ 0 0 139 -4,-1.7 4,-2.5 2,-0.2 -1,-0.2 0.894 106.5 53.6 -69.4 -37.1 0.5 24.1 50.3 79 85 A V H X S+ 0 0 52 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.930 112.4 45.8 -57.3 -44.5 -3.2 24.2 49.1 80 86 A I H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.923 110.4 52.1 -65.3 -45.9 -1.8 24.6 45.5 81 87 A L H X S+ 0 0 11 -4,-2.9 4,-2.8 2,-0.2 -1,-0.2 0.917 108.2 51.8 -57.2 -41.6 0.8 21.9 45.9 82 88 A D H X S+ 0 0 98 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.928 108.8 50.6 -62.8 -41.2 -2.0 19.5 47.1 83 89 A R H < S+ 0 0 16 -4,-2.0 4,-0.5 1,-0.2 -1,-0.2 0.877 111.2 49.5 -62.6 -37.2 -4.0 20.3 44.0 84 90 A I H >X S+ 0 0 4 -4,-2.2 4,-2.1 2,-0.2 3,-1.5 0.929 107.6 52.1 -69.1 -45.5 -0.9 19.6 41.8 85 91 A Y H 3< S+ 0 0 96 -4,-2.8 4,-0.5 1,-0.3 -2,-0.2 0.873 105.5 58.8 -59.3 -30.9 -0.2 16.2 43.5 86 92 A N T 3< S+ 0 0 104 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.651 119.4 26.1 -72.1 -17.8 -3.9 15.3 42.7 87 93 A I T X> S+ 0 0 14 -3,-1.5 3,-1.5 -4,-0.5 4,-0.9 0.554 93.1 95.1-117.4 -15.3 -3.5 15.8 39.0 88 94 A X G >< S+ 0 0 11 -4,-2.1 3,-1.2 1,-0.3 -2,-0.1 0.879 85.0 51.4 -49.6 -47.0 0.3 15.2 38.3 89 95 A S G 34 S+ 0 0 109 -4,-0.5 -1,-0.3 1,-0.3 -2,-0.1 0.723 109.6 52.4 -66.4 -19.1 -0.1 11.4 37.3 90 96 A Q G <4 S+ 0 0 114 -3,-1.5 -1,-0.3 2,-0.1 -2,-0.2 0.639 87.0 98.0 -89.7 -18.2 -2.9 12.3 34.8 91 97 A L S << S- 0 0 7 -3,-1.2 3,-0.1 -4,-0.9 2,-0.0 -0.563 72.0-129.0 -75.2 135.9 -0.9 15.0 32.9 92 98 A P - 0 0 91 0, 0.0 5,-0.3 0, 0.0 2,-0.1 -0.343 43.9 -75.5 -72.5 162.7 0.7 14.0 29.6 93 99 A A S S+ 0 0 76 4,-0.1 2,-0.3 3,-0.1 3,-0.1 -0.390 79.5 131.5 -56.1 128.3 4.4 14.8 29.0 94 100 A S S > S- 0 0 45 -2,-0.1 4,-2.3 -3,-0.1 5,-0.1 -0.958 73.6 -95.1-169.9 167.6 4.6 18.6 28.2 95 101 A L H > S+ 0 0 60 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.868 125.0 56.0 -60.7 -41.1 6.3 21.9 29.1 96 102 A L H > S+ 0 0 22 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.933 107.6 46.6 -56.0 -48.5 3.5 22.5 31.5 97 103 A K H > S+ 0 0 20 -5,-0.3 4,-2.8 2,-0.2 -2,-0.2 0.924 111.8 51.6 -64.3 -42.0 4.2 19.1 33.3 98 104 A X H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.924 111.3 47.3 -59.0 -45.7 7.9 19.9 33.4 99 105 A R H X S+ 0 0 59 -4,-2.7 4,-2.8 1,-0.2 5,-0.3 0.908 112.4 49.5 -64.2 -38.8 7.3 23.3 35.0 100 106 A L H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 5,-0.2 0.906 111.6 48.4 -68.1 -42.2 4.9 21.9 37.5 101 107 A L H X S+ 0 0 0 -4,-2.8 4,-2.4 2,-0.2 -2,-0.2 0.925 115.3 45.5 -61.9 -40.3 7.4 19.1 38.5 102 108 A T H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.938 117.5 41.1 -71.0 -51.6 10.2 21.7 38.8 103 109 A W H X S+ 0 0 14 -4,-2.8 4,-1.0 2,-0.2 -1,-0.2 0.892 115.6 52.0 -62.4 -39.3 8.2 24.3 40.8 104 110 A G H >X S+ 0 0 1 -4,-2.6 4,-1.3 -5,-0.3 3,-0.7 0.936 109.6 49.5 -64.2 -41.2 6.6 21.5 42.9 105 111 A Y H 3X S+ 0 0 5 -4,-2.4 4,-3.4 -5,-0.2 3,-0.4 0.901 104.9 58.6 -62.0 -41.1 10.1 20.1 43.7 106 112 A S H 3< S+ 0 0 18 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.796 111.1 42.1 -60.3 -27.7 11.3 23.6 44.7 107 113 A E H << S+ 0 0 45 -4,-1.0 -1,-0.2 -3,-0.7 -2,-0.2 0.677 131.2 21.2 -89.3 -22.9 8.6 23.8 47.4 108 114 A T H < S- 0 0 52 -4,-1.3 -2,-0.2 -3,-0.4 -3,-0.2 0.645 79.7-138.4-117.5 -28.9 8.9 20.2 48.7 109 115 A Y < + 0 0 52 -4,-3.4 2,-0.8 1,-0.2 -4,-0.1 0.836 41.2 169.9 54.4 36.9 12.3 18.9 47.8 110 116 A D >> - 0 0 40 -6,-0.2 3,-1.4 1,-0.2 4,-1.4 -0.721 28.8-151.8 -75.7 110.8 10.3 15.7 47.0 111 117 A E H 3> S+ 0 0 114 -2,-0.8 4,-2.5 1,-0.3 -1,-0.2 0.765 92.0 63.9 -62.1 -22.8 13.0 13.5 45.3 112 118 A E H 3> S+ 0 0 148 2,-0.2 4,-2.2 1,-0.2 -1,-0.3 0.852 101.7 50.2 -68.6 -33.3 10.3 11.7 43.3 113 119 A L H <> S+ 0 0 10 -3,-1.4 4,-2.6 2,-0.2 -2,-0.2 0.948 111.8 46.4 -70.0 -45.2 9.4 15.0 41.6 114 120 A A H X S+ 0 0 4 -4,-1.4 4,-2.8 2,-0.2 -2,-0.2 0.923 112.4 52.7 -57.9 -43.5 13.1 15.8 40.6 115 121 A H H X S+ 0 0 120 -4,-2.5 4,-1.6 1,-0.2 -2,-0.2 0.917 111.9 43.5 -59.9 -47.7 13.4 12.1 39.4 116 122 A E H X S+ 0 0 64 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.892 111.9 54.5 -65.5 -39.2 10.3 12.4 37.1 117 123 A A H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.919 107.9 49.4 -60.9 -43.2 11.6 15.9 35.9 118 124 A H H X S+ 0 0 71 -4,-2.8 4,-1.9 1,-0.2 -1,-0.2 0.853 108.1 54.4 -65.6 -31.8 15.0 14.4 34.9 119 125 A Q H X S+ 0 0 98 -4,-1.6 4,-0.5 2,-0.2 -1,-0.2 0.877 108.0 49.4 -67.1 -37.1 13.1 11.6 33.0 120 126 A L H >< S+ 0 0 16 -4,-1.9 3,-1.4 1,-0.2 4,-0.4 0.932 108.5 53.0 -66.7 -42.3 11.2 14.3 31.0 121 127 A I H >< S+ 0 0 35 -4,-2.2 3,-2.1 1,-0.3 -2,-0.2 0.909 102.2 59.5 -56.9 -45.1 14.4 16.1 30.2 122 128 A E H 3< S+ 0 0 151 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.675 97.1 61.8 -58.4 -21.1 15.9 12.8 28.9 123 129 A T T << S+ 0 0 100 -3,-1.4 -1,-0.3 -4,-0.5 -2,-0.2 0.637 93.3 84.4 -82.0 -13.5 13.0 12.7 26.3 124 130 A W S < S- 0 0 48 -3,-2.1 2,-0.8 -4,-0.4 5,-0.1 -0.238 89.5 -99.0 -84.5 176.0 14.2 16.1 24.7 125 131 A N > - 0 0 91 3,-0.3 3,-1.9 1,-0.2 -2,-0.1 -0.854 20.9-163.0-103.3 104.9 16.9 16.7 22.1 126 132 A I G > S+ 0 0 151 -2,-0.8 3,-0.5 1,-0.3 -1,-0.2 0.813 94.0 56.4 -51.4 -34.0 20.2 17.8 23.6 127 133 A S G 3 S+ 0 0 108 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.0 0.557 122.4 23.1 -79.3 -7.4 21.2 19.1 20.0 128 134 A D G < S+ 0 0 123 -3,-1.9 -3,-0.3 2,-0.0 2,-0.3 -0.356 74.1 169.4-157.6 64.2 18.0 21.4 19.8 129 135 A L < - 0 0 37 -3,-0.5 -3,-0.1 -5,-0.1 2,-0.0 -0.631 36.1-119.0 -78.2 139.5 16.6 22.3 23.2 130 136 A T > - 0 0 61 -2,-0.3 4,-2.6 1,-0.1 5,-0.2 -0.311 26.3-107.7 -68.5 161.3 13.9 25.1 23.0 131 137 A D H > S+ 0 0 112 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.901 122.9 48.4 -56.8 -40.7 14.6 28.4 24.9 132 138 A E H > S+ 0 0 83 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.841 109.7 51.5 -69.2 -38.1 11.9 27.3 27.5 133 139 A Q H > S+ 0 0 34 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.936 110.7 48.9 -63.8 -44.6 13.5 23.8 27.9 134 140 A K H X S+ 0 0 115 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.920 113.2 47.8 -60.8 -43.7 16.9 25.4 28.5 135 141 A E H X S+ 0 0 54 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.898 112.1 46.7 -63.2 -45.6 15.4 27.8 31.1 136 142 A I H X S+ 0 0 1 -4,-2.4 4,-2.7 2,-0.2 -1,-0.2 0.869 110.4 53.7 -71.0 -34.5 13.4 25.2 33.1 137 143 A I H X S+ 0 0 41 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.931 111.4 46.7 -59.7 -43.7 16.6 22.9 33.1 138 144 A E H X S+ 0 0 92 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.915 112.0 50.3 -63.1 -45.3 18.5 25.9 34.6 139 145 A E H X S+ 0 0 26 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.933 111.3 48.1 -61.0 -46.8 15.7 26.6 37.1 140 146 A L H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.929 111.4 50.0 -59.5 -47.8 15.6 22.9 38.3 141 147 A R H X S+ 0 0 105 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.904 110.1 50.8 -59.7 -41.3 19.4 22.8 38.6 142 148 A N H X S+ 0 0 62 -4,-2.5 4,-1.3 1,-0.2 -1,-0.2 0.896 110.2 49.3 -64.6 -40.0 19.4 26.0 40.7 143 149 A F H < S+ 0 0 46 -4,-2.3 3,-0.3 2,-0.2 -1,-0.2 0.919 112.5 48.6 -64.3 -40.8 16.7 24.5 43.1 144 150 A E H >< S+ 0 0 62 -4,-2.4 3,-0.9 1,-0.2 -2,-0.2 0.935 114.1 45.1 -64.0 -45.7 18.7 21.3 43.5 145 151 A E H 3< S+ 0 0 121 -4,-2.6 -1,-0.2 1,-0.2 3,-0.2 0.657 115.4 47.6 -72.1 -21.0 22.0 23.2 44.2 146 152 A N T 3< S+ 0 0 93 -4,-1.3 -1,-0.2 -3,-0.3 -2,-0.2 0.083 70.1 117.8-113.9 30.2 20.4 25.7 46.7 147 153 A Q S < S+ 0 0 51 -3,-0.9 -1,-0.2 1,-0.2 -2,-0.1 0.909 79.1 39.3 -60.3 -44.6 18.3 23.3 48.8 148 154 A Y > - 0 0 96 -3,-0.2 3,-2.0 1,-0.1 4,-0.3 -0.916 61.6-164.5-116.7 111.7 20.3 24.2 52.0 149 155 A P G > S+ 0 0 89 0, 0.0 3,-1.5 0, 0.0 -1,-0.1 0.829 93.9 62.9 -59.9 -29.6 21.3 27.9 52.7 150 156 A W G 3 S+ 0 0 195 1,-0.3 -2,-0.0 0, 0.0 0, 0.0 0.628 95.7 61.1 -70.4 -12.5 23.7 26.6 55.4 151 157 A E G < S+ 0 0 126 -3,-2.0 -1,-0.3 2,-0.1 3,-0.1 0.503 74.6 127.5 -89.1 -8.4 25.6 24.7 52.5 152 158 A E S < S- 0 0 129 -3,-1.5 -6,-0.0 -4,-0.3 0, 0.0 -0.214 77.4 -89.0 -52.6 137.5 26.5 28.0 50.7 153 159 A V - 0 0 121 1,-0.1 2,-0.4 0, 0.0 -1,-0.1 -0.231 44.3-119.7 -51.6 127.9 30.2 28.2 49.9 154 160 A Q 0 0 193 -3,-0.1 -1,-0.1 0, 0.0 -3,-0.0 -0.654 360.0 360.0 -73.9 127.5 32.0 29.9 52.9 155 161 A E 0 0 248 -2,-0.4 0, 0.0 0, 0.0 0, 0.0 -0.854 360.0 360.0-155.7 360.0 33.8 33.2 51.8