==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-APR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 19-MAY-10 3N2X . COMPND 2 MOLECULE: UNCHARACTERIZED PROTEIN YAGE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR V.BHASKAR,P.M.KUMAR,S.MANICKA,S.KRISHNASWAMY . 1192 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 38215.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 880 73.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 133 11.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 14 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 . 4 0.3 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 . 1 0.1 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 . 76 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 118 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 458 38.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 39 3.3 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 4 0 3 1 0 0 8 0 1 20 7 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 9 8 8 4 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 . 7 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 3 0 0 0 0 0 4 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 12 A A 0 0 66 0, 0.0 3,-0.4 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 127.3 -8.1 63.6 7.2 2 13 A L + 0 0 84 183,-0.6 185,-0.1 158,-0.4 0, 0.0 -0.709 360.0 9.8-101.7 145.6 -4.8 62.1 6.3 3 14 A F S S+ 0 0 22 -2,-0.3 -1,-0.2 1,-0.1 2,-0.2 0.918 82.8 154.6 58.7 49.2 -3.4 61.7 2.8 4 15 A T + 0 0 35 -3,-0.4 2,-0.3 34,-0.1 202,-0.2 -0.580 36.1 36.4 -99.0 168.5 -6.0 63.8 0.9 5 16 A G E S-a 206 0A 0 200,-3.3 202,-1.5 -2,-0.2 2,-0.6 -0.664 108.9 -16.8 96.8-150.5 -5.5 65.6 -2.3 6 17 A I E +a 207 0A 4 -2,-0.3 32,-2.6 200,-0.2 33,-0.7 -0.896 59.9 168.9-106.5 114.7 -3.4 64.4 -5.3 7 18 A I - 0 0 1 200,-2.3 33,-0.2 -2,-0.6 205,-0.1 -0.889 25.1-144.2-129.6 94.1 -0.9 61.7 -4.5 8 19 A P - 0 0 0 0, 0.0 33,-2.4 0, 0.0 2,-1.2 -0.239 15.6-125.9 -63.2 148.4 0.6 60.1 -7.5 9 20 A P E -b 41 0A 0 0, 0.0 33,-0.2 0, 0.0 204,-0.1 -0.809 44.6-136.7 -85.6 97.0 1.4 56.4 -7.6 10 21 A V E -b 42 0A 0 31,-1.9 33,-0.5 -2,-1.2 34,-0.3 -0.299 6.1-121.2 -69.0 135.3 5.0 57.2 -8.6 11 22 A S - 0 0 1 199,-0.1 2,-0.6 31,-0.1 36,-0.2 -0.490 21.1-128.1 -66.7 141.8 6.7 55.1 -11.3 12 23 A T - 0 0 2 34,-0.5 2,-0.5 -2,-0.1 -1,-0.1 -0.848 23.3-142.8 -90.1 124.5 9.8 53.3 -10.2 13 24 A I - 0 0 0 -2,-0.6 8,-3.3 8,-0.3 2,-0.3 -0.796 21.1-171.0 -93.9 128.8 12.5 54.2 -12.7 14 25 A F B -IJ 20 272B 2 258,-0.6 258,-0.5 -2,-0.5 6,-0.2 -0.874 20.7-122.4-115.6 150.2 14.9 51.4 -13.5 15 26 A T > - 0 0 40 4,-3.2 3,-2.5 -2,-0.3 4,-0.1 -0.360 46.5 -89.3 -74.2 173.8 18.1 51.2 -15.5 16 27 A A T 3 S+ 0 0 85 1,-0.3 -1,-0.1 2,-0.2 257,-0.1 0.748 129.0 54.5 -60.2 -30.5 18.4 48.7 -18.5 17 28 A D T 3 S- 0 0 121 2,-0.1 -1,-0.3 255,-0.0 -2,-0.0 0.290 124.3-103.2 -90.0 14.0 19.6 45.9 -16.3 18 29 A G S < S+ 0 0 3 -3,-2.5 2,-0.3 1,-0.3 -2,-0.2 0.719 75.3 135.8 79.7 22.7 16.5 46.4 -14.0 19 30 A Q - 0 0 103 -4,-0.1 -4,-3.2 1,-0.1 -1,-0.3 -0.761 68.3 -81.9-100.4 152.8 18.1 48.2 -11.1 20 31 A L B -I 14 0B 33 -2,-0.3 2,-1.0 -6,-0.2 -6,-0.3 -0.317 38.7-143.5 -45.5 118.3 16.7 51.2 -9.3 21 32 A D > - 0 0 32 -8,-3.3 4,-2.3 1,-0.2 -8,-0.3 -0.839 19.8-175.3 -89.8 95.1 17.6 54.3 -11.3 22 33 A K H > S+ 0 0 119 -2,-1.0 4,-2.5 2,-0.2 5,-0.2 0.916 77.5 47.2 -65.3 -49.5 18.3 56.7 -8.5 23 34 A P H > S+ 0 0 104 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.945 116.7 45.2 -57.1 -44.3 18.9 59.9 -10.6 24 35 A G H > S+ 0 0 10 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.896 115.3 45.4 -66.0 -40.8 15.8 59.3 -12.7 25 36 A T H X S+ 0 0 3 -4,-2.3 4,-2.4 -12,-0.2 -1,-0.2 0.883 113.3 51.5 -71.6 -39.8 13.5 58.4 -9.8 26 37 A A H X S+ 0 0 12 -4,-2.5 4,-2.5 -5,-0.3 -2,-0.2 0.939 109.9 49.1 -56.5 -45.2 14.9 61.4 -7.9 27 38 A A H X S+ 0 0 19 -4,-2.3 4,-3.1 2,-0.2 -2,-0.2 0.919 111.5 49.4 -65.6 -44.5 14.2 63.7 -10.8 28 39 A L H X S+ 0 0 1 -4,-2.3 4,-2.8 2,-0.2 5,-0.2 0.940 110.6 49.8 -59.1 -50.1 10.6 62.4 -11.1 29 40 A I H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.913 112.7 47.4 -53.4 -44.7 10.0 62.8 -7.4 30 41 A D H X S+ 0 0 50 -4,-2.5 4,-3.1 2,-0.2 5,-0.2 0.931 109.4 53.8 -68.4 -47.2 11.2 66.4 -7.6 31 42 A D H X S+ 0 0 46 -4,-3.1 4,-1.8 1,-0.2 -2,-0.2 0.956 112.5 44.4 -44.6 -53.1 9.1 67.1 -10.7 32 43 A L H <>S+ 0 0 1 -4,-2.8 5,-1.7 2,-0.2 4,-0.5 0.889 112.3 50.6 -69.2 -38.7 6.0 65.9 -8.8 33 44 A I H ><5S+ 0 0 29 -4,-2.5 3,-1.9 -5,-0.2 -1,-0.2 0.970 111.6 47.7 -63.0 -47.4 6.8 67.8 -5.7 34 45 A K H 3<5S+ 0 0 168 -4,-3.1 -2,-0.2 1,-0.3 -1,-0.2 0.789 101.9 64.8 -67.5 -21.1 7.3 71.0 -7.6 35 46 A A T 3<5S- 0 0 30 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.594 120.7-108.7 -69.1 -11.0 4.0 70.3 -9.5 36 47 A G T < 5 + 0 0 38 -3,-1.9 -30,-0.2 -4,-0.5 -3,-0.2 0.686 55.9 168.4 95.4 18.7 2.3 70.8 -6.1 37 48 A V < - 0 0 7 -5,-1.7 -30,-0.2 1,-0.1 -1,-0.1 -0.193 36.8-133.0 -65.6 157.8 1.1 67.2 -5.3 38 49 A D S S- 0 0 53 -32,-2.6 2,-0.3 1,-0.2 -31,-0.2 0.435 76.8 -18.5 -92.0 -0.4 -0.1 66.5 -1.7 39 50 A G - 0 0 0 -33,-0.7 2,-0.4 33,-0.2 35,-0.2 -0.948 63.7-115.0 170.1 167.0 1.9 63.3 -1.1 40 51 A L E - c 0 74A 0 33,-2.6 35,-3.3 -2,-0.3 2,-0.6 -0.993 15.4-156.6-132.7 137.7 3.8 60.6 -3.0 41 52 A F E -bc 9 75A 0 -33,-2.4 -31,-1.9 -2,-0.4 3,-0.4 -0.942 13.6-168.1-119.7 110.6 2.9 56.9 -3.1 42 53 A F E +bc 10 76A 2 33,-2.4 35,-2.6 -2,-0.6 -31,-0.1 -0.735 64.3 18.7 -98.6 146.3 5.7 54.5 -3.9 43 54 A L S S+ 0 0 3 -33,-0.5 -1,-0.2 -2,-0.3 2,-0.1 0.833 81.7 139.6 66.4 36.3 5.4 50.8 -4.8 44 55 A G S >S- 0 0 1 -3,-0.4 5,-1.6 -34,-0.3 3,-0.3 -0.214 79.2 -76.8 -78.7-173.7 1.8 50.9 -5.8 45 56 A S T > 5S+ 0 0 1 1,-0.2 3,-1.7 2,-0.2 5,-0.2 0.918 138.7 50.3 -52.5 -50.0 0.7 48.9 -8.9 46 57 A G T 3 5S+ 0 0 3 1,-0.3 -34,-0.5 2,-0.1 -1,-0.2 0.763 104.4 59.2 -60.5 -25.2 2.2 51.6 -11.1 47 58 A G T 3 5S- 0 0 0 -3,-0.3 -1,-0.3 -36,-0.2 -2,-0.2 0.393 114.3-121.6 -87.0 5.4 5.4 51.4 -9.1 48 59 A E T X 5 + 0 0 0 -3,-1.7 3,-1.7 -4,-0.2 4,-0.3 0.760 53.2 159.5 65.4 32.3 5.6 47.7 -10.1 49 60 A F G > - 0 0 9 -2,-0.4 4,-2.7 1,-0.1 5,-0.2 -0.379 33.7-105.9 -79.1 163.7 11.4 41.1 -4.6 54 65 A A H > S+ 0 0 13 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.882 120.0 48.1 -57.8 -44.0 11.2 42.1 -0.9 55 66 A E H > S+ 0 0 127 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.915 111.6 51.0 -66.6 -39.5 14.8 43.3 -0.7 56 67 A E H > S+ 0 0 51 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.930 109.5 50.5 -58.9 -45.2 14.4 45.3 -3.8 57 68 A R H X S+ 0 0 10 -4,-2.7 4,-2.9 1,-0.2 5,-0.2 0.899 109.3 51.3 -62.0 -39.1 11.2 46.9 -2.4 58 69 A K H X S+ 0 0 37 -4,-2.4 4,-2.6 1,-0.2 5,-0.2 0.940 110.5 48.1 -61.9 -43.5 13.0 47.8 0.8 59 70 A A H X S+ 0 0 55 -4,-2.3 4,-2.7 1,-0.2 5,-0.2 0.923 113.2 47.8 -64.9 -44.1 15.8 49.5 -1.1 60 71 A I H X S+ 0 0 6 -4,-2.5 4,-2.8 1,-0.2 -1,-0.2 0.940 112.9 47.9 -64.6 -42.1 13.4 51.4 -3.3 61 72 A A H X S+ 0 0 2 -4,-2.9 4,-2.9 1,-0.2 5,-0.3 0.935 112.8 48.1 -64.2 -45.6 11.3 52.6 -0.3 62 73 A R H X S+ 0 0 157 -4,-2.6 4,-2.2 -5,-0.2 -1,-0.2 0.941 114.2 46.1 -59.8 -51.0 14.3 53.7 1.7 63 74 A F H X S+ 0 0 36 -4,-2.7 4,-3.0 -5,-0.2 5,-0.2 0.950 114.9 48.2 -53.7 -50.5 15.7 55.6 -1.3 64 75 A A H X S+ 0 0 1 -4,-2.8 4,-2.2 -5,-0.2 -2,-0.2 0.900 113.2 44.8 -60.6 -47.2 12.4 57.2 -2.1 65 76 A I H X>S+ 0 0 16 -4,-2.9 4,-1.9 2,-0.2 5,-0.6 0.893 114.1 51.1 -64.6 -43.9 11.6 58.3 1.5 66 77 A D H <5S+ 0 0 122 -4,-2.2 -2,-0.2 -5,-0.3 -1,-0.2 0.928 111.1 47.0 -62.4 -44.1 15.0 59.6 1.9 67 78 A H H <5S+ 0 0 55 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.888 107.7 54.8 -67.3 -36.8 15.0 61.6 -1.3 68 79 A V H ><5S- 0 0 0 -4,-2.2 3,-1.9 -5,-0.2 -1,-0.2 0.904 88.2-165.2 -64.5 -36.7 11.6 63.1 -0.5 69 80 A D T 3<5 - 0 0 122 -4,-1.9 -3,-0.1 1,-0.3 -2,-0.1 0.893 64.0 -59.9 58.6 42.8 13.1 64.2 2.8 70 81 A R T 3 - 0 0 10 1,-0.2 4,-2.3 269,-0.1 3,-0.2 -0.699 61.5-170.7 -85.5 96.1 2.9 36.8 1.7 83 94 A A H > S+ 0 0 1 -2,-1.1 4,-2.1 491,-0.8 -1,-0.2 0.838 84.4 55.5 -61.9 -33.3 1.4 38.2 4.9 84 95 A R H > S+ 0 0 59 490,-0.5 4,-2.3 266,-0.3 -1,-0.2 0.898 109.8 48.3 -65.6 -38.0 4.6 37.7 6.9 85 96 A E H > S+ 0 0 48 -3,-0.2 4,-3.3 2,-0.2 5,-0.3 0.894 106.0 57.3 -70.8 -34.7 6.4 39.7 4.2 86 97 A T H X S+ 0 0 1 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.938 108.4 46.5 -59.1 -46.3 3.7 42.4 4.4 87 98 A I H X S+ 0 0 45 -4,-2.1 4,-3.2 2,-0.2 5,-0.3 0.976 114.4 47.2 -57.4 -49.6 4.4 42.9 8.1 88 99 A E H X S+ 0 0 81 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.926 114.1 47.0 -60.5 -44.0 8.2 43.0 7.5 89 100 A L H X S+ 0 0 9 -4,-3.3 4,-2.1 -11,-0.2 -1,-0.2 0.863 114.5 48.0 -65.7 -33.6 7.8 45.5 4.6 90 101 A S H X S+ 0 0 0 -4,-2.3 4,-1.9 -5,-0.3 -2,-0.2 0.891 112.8 46.2 -74.8 -44.0 5.4 47.6 6.7 91 102 A Q H X S+ 0 0 77 -4,-3.2 4,-2.7 1,-0.2 5,-0.2 0.920 113.0 51.3 -65.9 -39.4 7.7 47.6 9.7 92 103 A H H X S+ 0 0 30 -4,-2.6 4,-2.9 -5,-0.3 -2,-0.2 0.925 107.8 52.7 -60.2 -44.0 10.6 48.4 7.5 93 104 A A H <>S+ 0 0 0 -4,-2.1 5,-2.7 1,-0.2 4,-0.3 0.887 110.2 47.8 -56.7 -43.4 8.7 51.3 5.9 94 105 A Q H ><5S+ 0 0 63 -4,-1.9 3,-1.4 3,-0.2 -1,-0.2 0.930 113.0 47.1 -66.3 -47.7 8.0 52.7 9.4 95 106 A Q H 3<5S+ 0 0 159 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.864 108.3 57.6 -62.2 -34.2 11.7 52.4 10.4 96 107 A A T 3<5S- 0 0 31 -4,-2.9 -1,-0.3 -5,-0.2 -2,-0.2 0.534 125.3-100.4 -77.4 -4.1 12.8 54.0 7.1 97 108 A G T < 5 + 0 0 40 -3,-1.4 -3,-0.2 -4,-0.3 -23,-0.2 0.534 64.2 158.9 100.0 11.0 10.7 57.1 7.9 98 109 A A < - 0 0 5 -5,-2.7 -1,-0.2 -6,-0.2 -23,-0.2 -0.251 38.1-143.0 -62.5 156.9 7.5 56.5 5.8 99 110 A D S S- 0 0 61 -25,-2.3 2,-0.3 1,-0.3 -24,-0.2 0.696 75.3 -12.4 -93.0 -19.7 4.3 58.5 6.8 100 111 A G E -d 75 0A 0 -26,-1.3 -24,-1.9 29,-0.2 2,-0.3 -0.975 61.0-124.8-168.6 164.8 1.9 55.6 6.0 101 112 A I E -de 76 131A 0 29,-1.7 31,-3.2 -2,-0.3 2,-0.5 -0.882 12.4-145.8-121.6 154.1 1.5 52.3 4.3 102 113 A V E -de 77 132A 2 -26,-2.2 -24,-1.7 -2,-0.3 -23,-0.8 -0.992 18.4-166.9-124.1 124.0 -0.9 51.2 1.6 103 114 A V E - e 0 133A 0 29,-2.8 31,-1.6 -2,-0.5 2,-0.1 -0.939 5.6-159.8-126.1 111.8 -2.1 47.6 1.8 104 115 A I E - e 0 134A 2 -2,-0.5 -24,-0.4 29,-0.2 31,-0.2 -0.441 34.6 -99.2 -77.7 157.8 -3.9 45.7 -0.9 105 116 A N - 0 0 0 29,-0.9 -1,-0.1 37,-0.2 37,-0.1 -0.498 53.4 -83.4 -75.0 152.0 -5.9 42.6 -0.1 106 117 A P - 0 0 4 0, 0.0 5,-0.3 0, 0.0 -25,-0.2 -0.385 45.6-164.5 -59.7 135.9 -4.1 39.2 -0.8 107 118 A Y S S+ 0 0 7 3,-0.1 3,-0.1 -3,-0.1 -26,-0.1 0.230 70.4 59.1-118.5 8.1 -4.7 38.6 -4.5 108 119 A Y S S+ 0 0 0 1,-0.5 2,-0.2 -28,-0.1 -27,-0.0 0.743 113.0 26.7 -92.1 -89.4 -3.9 35.0 -5.0 109 120 A W S S- 0 0 15 1,-0.1 2,-1.1 -28,-0.1 -1,-0.5 -0.510 82.2-134.1 -58.4 134.4 -6.2 33.1 -2.7 110 121 A K - 0 0 39 -2,-0.2 -3,-0.1 -3,-0.1 3,-0.1 -0.842 34.3-146.0 -95.6 93.3 -9.4 35.2 -2.0 111 122 A V - 0 0 1 -2,-1.1 465,-0.1 -5,-0.3 5,-0.0 -0.171 20.0 -91.9 -65.9 147.0 -9.2 34.5 1.7 112 123 A S > - 0 0 30 439,-2.3 4,-2.8 1,-0.1 5,-0.2 -0.198 39.3-105.5 -53.4 154.8 -12.5 34.2 3.7 113 124 A E H > S+ 0 0 133 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.875 122.2 53.5 -52.4 -43.5 -13.9 37.4 5.2 114 125 A A H > S+ 0 0 55 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.944 112.4 43.4 -60.1 -43.8 -12.7 36.3 8.7 115 126 A N H > S+ 0 0 2 436,-0.2 4,-3.0 2,-0.2 -2,-0.2 0.885 113.4 52.9 -68.5 -35.8 -9.2 35.7 7.4 116 127 A L H X S+ 0 0 5 -4,-2.8 4,-2.1 2,-0.2 -2,-0.2 0.927 110.1 45.5 -68.8 -45.5 -9.3 39.0 5.5 117 128 A I H X S+ 0 0 28 -4,-2.9 4,-2.7 2,-0.2 -1,-0.2 0.945 115.0 49.5 -58.9 -47.6 -10.3 41.1 8.5 118 129 A R H X S+ 0 0 99 -4,-2.3 4,-2.7 -5,-0.2 5,-0.2 0.910 108.6 53.8 -58.8 -44.5 -7.7 39.3 10.6 119 130 A Y H X S+ 0 0 2 -4,-3.0 4,-2.9 1,-0.2 5,-0.2 0.953 112.2 41.8 -55.3 -57.6 -5.0 40.0 7.9 120 131 A F H X S+ 0 0 2 -4,-2.1 4,-2.7 1,-0.2 -1,-0.2 0.885 114.2 52.4 -60.8 -42.2 -5.6 43.7 7.8 121 132 A E H X S+ 0 0 46 -4,-2.7 4,-2.6 2,-0.2 -1,-0.2 0.927 110.9 48.5 -55.2 -51.4 -5.9 43.9 11.7 122 133 A Q H X S+ 0 0 78 -4,-2.7 4,-0.9 1,-0.2 -2,-0.2 0.922 113.2 46.7 -57.2 -45.2 -2.6 42.1 12.0 123 134 A V H >< S+ 0 0 2 -4,-2.9 3,-0.8 -5,-0.2 4,-0.4 0.922 112.5 48.7 -64.5 -43.2 -1.0 44.4 9.6 124 135 A A H >< S+ 0 0 1 -4,-2.7 3,-1.0 1,-0.2 -2,-0.2 0.870 111.3 51.8 -61.9 -37.0 -2.4 47.5 11.2 125 136 A D H 3< S+ 0 0 94 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.626 97.7 67.6 -76.3 -11.9 -1.2 46.2 14.6 126 137 A S T << S+ 0 0 22 -4,-0.9 2,-0.3 -3,-0.8 -1,-0.2 0.585 107.2 34.2 -85.8 -12.3 2.3 45.6 13.3 127 138 A V < - 0 0 9 -3,-1.0 -36,-0.1 -4,-0.4 31,-0.1 -0.887 62.0-142.1-133.5 164.1 2.9 49.4 12.9 128 139 A T S S+ 0 0 119 -2,-0.3 3,-0.1 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108.8 64.0 -51.1 -37.6 -1.3 57.1 -13.1 211 222 A S G 3> S+ 0 0 0 1,-0.3 4,-2.7 2,-0.2 3,-0.4 0.633 81.3 82.7 -71.2 -12.8 -1.5 60.6 -14.8 212 223 A G G <4 S+ 0 0 1 -3,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.782 88.8 56.5 -53.3 -27.0 -0.1 62.0 -11.6 213 224 A N T <4 S+ 0 0 6 -3,-2.2 -1,-0.2 -4,-0.2 -2,-0.2 0.822 122.6 17.3 -71.2 -39.9 3.3 60.8 -13.1 214 225 A F T 4 S+ 0 0 10 -3,-0.4 -2,-0.2 -4,-0.4 -3,-0.1 0.533 140.0 23.7-116.9 -11.4 3.3 62.7 -16.4 215 226 A A >X + 0 0 0 -4,-2.7 3,-1.3 -5,-0.1 4,-0.8 -0.255 63.1 149.2-149.7 51.7 0.6 65.4 -16.0 216 227 A P H 3> + 0 0 10 0, 0.0 4,-3.4 0, 0.0 5,-0.2 0.789 67.9 70.3 -55.2 -30.2 0.3 66.1 -12.3 217 228 A Q H 3> S+ 0 0 76 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.815 92.4 58.0 -60.1 -32.0 -0.7 69.7 -13.0 218 229 A V H <> S+ 0 0 8 -3,-1.3 4,-1.4 1,-0.2 -1,-0.2 0.939 114.5 35.0 -65.9 -45.8 -4.0 68.6 -14.4 219 230 A S H X S+ 0 0 0 -4,-0.8 4,-2.5 -3,-0.2 -2,-0.2 0.854 118.1 52.7 -73.9 -39.7 -5.0 66.9 -11.2 220 231 A V H X S+ 0 0 23 -4,-3.4 4,-2.1 1,-0.2 -2,-0.2 0.944 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