==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 21-JUL-10 3O1K . COMPND 2 MOLECULE: DIHYDRONEOPTERIN ALDOLASE FOLB, PUTATIVE; . SOURCE 2 ORGANISM_SCIENTIFIC: VIBRIO CHOLERAE O1 BIOVAR EL TOR; . AUTHOR B.NOCEK,M.ZHOU,L.PAPAZISI,W.ANDERSON,A.JOACHIMIAK,CENTER FOR . 470 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21043.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 335 71.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 2.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 131 27.9 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 . 19 4.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 123 26.2 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 1 0 4 0 0 0 0 0 0 2 2 1 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 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 0 0 0 PARALLEL BRIDGES PER LADDER . 0 0 0 0 4 4 1 3 4 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 . 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 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 S 0 0 102 0, 0.0 469,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 158.4 20.2 45.4 28.0 2 13 A M - 0 0 95 1,-0.1 2,-0.1 467,-0.1 36,-0.1 -0.068 360.0-108.7 -54.7 146.7 22.0 42.2 28.9 3 14 A D - 0 0 4 466,-0.1 34,-1.7 467,-0.0 2,-0.3 -0.418 41.7-150.7 -67.2 151.8 20.9 40.0 31.7 4 15 A K E -AB 36 468A 32 464,-2.8 464,-1.7 32,-0.2 2,-0.4 -0.917 21.9-155.6-130.1 156.7 23.2 40.0 34.7 5 16 A V E -AB 35 467A 6 30,-2.3 30,-2.6 -2,-0.3 2,-0.3 -0.998 29.1-166.1-121.5 129.6 24.5 37.9 37.5 6 17 A F E -AB 34 466A 4 460,-2.7 460,-1.9 -2,-0.4 2,-0.4 -0.864 23.7-161.2-124.3 155.2 25.8 39.9 40.4 7 18 A I E -AB 33 465A 1 26,-2.2 26,-2.5 -2,-0.3 2,-0.5 -0.977 22.9-152.2-132.0 115.3 27.8 39.3 43.6 8 19 A E E - B 0 464A 48 456,-3.0 455,-1.9 -2,-0.4 456,-1.3 -0.803 62.6 -14.9-100.4 123.9 27.4 42.1 46.1 9 20 A Q E - 0 0 72 -2,-0.5 2,-0.7 453,-0.2 454,-0.5 0.958 68.8-173.1 55.9 60.3 30.0 43.1 48.6 10 21 A L E -A 31 0A 0 21,-3.2 21,-2.7 -3,-0.3 2,-0.3 -0.790 14.7-148.8 -84.2 118.3 32.3 40.1 48.4 11 22 A E E +A 30 0A 79 450,-2.8 2,-0.3 -2,-0.7 19,-0.2 -0.726 20.7 173.9 -98.7 142.9 34.8 40.7 51.2 12 23 A V E -A 29 0A 4 17,-2.4 17,-3.1 -2,-0.3 2,-0.4 -0.999 22.5-144.2-150.2 141.4 38.3 39.5 51.1 13 24 A I E +A 28 0A 83 -2,-0.3 2,-0.3 15,-0.2 15,-0.2 -0.901 40.0 134.9-108.6 133.7 41.5 39.9 53.2 14 25 A T E -A 27 0A 0 13,-2.6 13,-2.5 -2,-0.4 2,-0.7 -0.933 57.9 -74.5-161.4-179.7 44.8 40.2 51.5 15 26 A T E +q 69 0B 14 53,-0.9 55,-2.3 50,-0.4 2,-0.4 -0.820 61.2 154.0 -92.8 112.3 48.2 41.8 51.1 16 27 A I E +q 70 0B 0 -2,-0.7 55,-0.2 9,-0.5 2,-0.2 -0.985 13.0 71.1-148.8 135.6 47.7 45.1 49.5 17 28 A G - 0 0 0 53,-1.7 55,-0.1 -2,-0.4 10,-0.0 -0.519 60.9-112.1 138.5 155.3 49.4 48.4 49.3 18 29 A V S S+ 0 0 68 -2,-0.2 2,-0.1 4,-0.1 -1,-0.1 0.764 87.8 84.1 -86.9 -28.6 52.4 50.3 47.9 19 30 A Y S > S- 0 0 133 52,-0.1 4,-1.5 1,-0.1 5,-0.1 -0.378 82.5-123.6 -74.9 153.2 54.2 51.0 51.1 20 31 A D T 4 S+ 0 0 122 1,-0.2 4,-0.5 2,-0.2 -1,-0.1 0.871 112.0 56.2 -71.0 -31.8 56.4 48.5 52.8 21 32 A W T >4 S+ 0 0 156 1,-0.2 3,-1.6 2,-0.2 -1,-0.2 0.939 106.3 51.4 -60.9 -41.7 54.4 48.6 55.9 22 33 A E G >4 S+ 0 0 11 1,-0.3 3,-1.3 2,-0.2 -6,-0.4 0.827 101.8 60.5 -64.1 -30.0 51.3 47.7 54.0 23 34 A Q G 3< S+ 0 0 30 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.639 102.5 55.2 -73.7 -9.1 53.1 44.8 52.4 24 35 A Q G < S+ 0 0 142 -3,-1.6 2,-0.3 -4,-0.5 -1,-0.3 0.386 105.9 52.3-103.9 3.8 53.6 43.4 55.9 25 36 A I S < S- 0 0 76 -3,-1.3 -9,-0.5 -4,-0.2 2,-0.4 -0.907 78.2-109.1-137.8 163.2 50.0 43.4 57.0 26 37 A K - 0 0 121 -2,-0.3 2,-0.3 -11,-0.1 -11,-0.2 -0.771 34.6-178.8 -95.3 137.1 46.5 42.1 56.0 27 38 A Q E -A 14 0A 39 -13,-2.5 -13,-2.6 -2,-0.4 2,-0.3 -0.909 25.1-109.7-133.9 157.6 43.9 44.5 54.8 28 39 A K E -A 13 0A 84 -2,-0.3 73,-0.4 -15,-0.2 2,-0.3 -0.711 26.2-174.1 -94.6 138.2 40.3 44.2 53.7 29 40 A L E -A 12 0A 0 -17,-3.1 -17,-2.4 -2,-0.3 2,-0.4 -0.943 9.4-153.6-122.3 151.3 39.0 44.7 50.2 30 41 A V E -AC 11 98A 20 68,-2.5 68,-2.5 -2,-0.3 2,-0.4 -0.982 9.8-164.4-131.5 123.2 35.4 44.6 49.1 31 42 A L E -AC 10 97A 0 -21,-2.7 -21,-3.2 -2,-0.4 2,-0.5 -0.863 13.9-168.0-109.5 136.6 34.2 43.7 45.6 32 43 A D E - C 0 96A 46 64,-2.6 64,-2.4 -2,-0.4 2,-0.4 -0.992 20.1-170.1-112.9 122.4 30.9 44.2 43.7 33 44 A L E -AC 7 95A 2 -26,-2.5 -26,-2.2 -2,-0.5 2,-0.5 -0.945 13.1-174.4-115.8 130.7 30.8 42.2 40.5 34 45 A E E -AC 6 94A 38 60,-2.5 60,-2.1 -2,-0.4 2,-0.4 -0.992 13.9-172.7-122.1 124.0 28.2 42.4 37.8 35 46 A M E -AC 5 93A 1 -30,-2.6 -30,-2.3 -2,-0.5 58,-0.2 -0.964 24.6-121.6-121.4 130.4 28.6 39.8 35.0 36 47 A A E +A 4 0A 7 56,-3.1 56,-0.3 -2,-0.4 2,-0.2 -0.469 45.8 149.2 -64.3 129.6 26.7 39.5 31.6 37 48 A H - 0 0 51 -34,-1.7 2,-0.4 -2,-0.2 15,-0.1 -0.788 48.3-121.2-161.4 118.8 25.0 36.1 31.4 38 49 A D - 0 0 97 -2,-0.2 4,-0.4 1,-0.2 3,-0.3 -0.568 22.0-162.5 -71.4 120.7 21.8 35.6 29.4 39 50 A N > + 0 0 5 -2,-0.4 4,-2.9 1,-0.2 5,-0.2 0.585 68.1 86.3 -74.8 -18.2 19.1 34.3 31.9 40 51 A R H > S+ 0 0 131 2,-0.2 4,-1.4 1,-0.2 5,-0.3 0.909 85.9 48.4 -66.8 -42.4 16.7 32.9 29.4 41 52 A A H >> S+ 0 0 58 -3,-0.3 4,-2.4 1,-0.2 3,-0.8 0.964 119.7 39.0 -60.2 -51.0 18.1 29.4 28.8 42 53 A A H 3> S+ 0 0 0 -4,-0.4 4,-2.5 8,-0.4 5,-0.2 0.853 109.6 63.0 -65.3 -36.8 18.4 28.7 32.6 43 54 A G H 3< S+ 0 0 3 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.768 114.0 32.1 -62.7 -28.0 15.2 30.5 33.4 44 55 A K H << S+ 0 0 192 -4,-1.4 -1,-0.2 -3,-0.8 -2,-0.2 0.787 122.7 45.8 -94.4 -37.9 13.3 27.9 31.3 45 56 A S H < S- 0 0 53 -4,-2.4 -2,-0.2 -5,-0.3 -3,-0.2 0.864 82.0-147.7 -76.1 -30.6 15.4 24.8 31.9 46 57 A D < + 0 0 17 -4,-2.5 2,-0.5 1,-0.2 -3,-0.1 0.673 54.6 138.3 59.4 25.3 15.9 25.1 35.7 47 58 A D > - 0 0 76 -5,-0.2 3,-2.7 -6,-0.2 4,-0.4 -0.872 54.7-150.4-109.9 119.4 19.2 23.5 34.9 48 59 A V G > S+ 0 0 69 -2,-0.5 3,-1.0 1,-0.3 -1,-0.1 0.737 93.6 75.6 -63.7 -20.9 22.4 24.7 36.7 49 60 A A G 3 S+ 0 0 78 1,-0.2 -1,-0.3 -7,-0.1 4,-0.1 0.841 98.6 46.0 -53.3 -32.5 24.3 23.7 33.7 50 61 A D G < S+ 0 0 61 -3,-2.7 -8,-0.4 -9,-0.1 -1,-0.2 0.599 100.2 86.7 -89.3 -10.5 22.8 26.8 32.0 51 62 A A S < S- 0 0 16 -3,-1.0 2,-0.4 -4,-0.4 -12,-0.0 -0.520 88.5-101.8 -89.4 157.6 23.5 29.2 34.9 52 63 A L - 0 0 10 -2,-0.2 2,-2.4 1,-0.1 3,-0.2 -0.641 38.1-121.8 -75.6 125.1 26.6 31.1 35.7 53 64 A D > + 0 0 65 -2,-0.4 4,-2.5 1,-0.2 5,-0.2 -0.403 40.4 171.9 -72.7 77.5 28.5 29.2 38.5 54 65 A Y H > S+ 0 0 57 -2,-2.4 4,-2.8 2,-0.2 -1,-0.2 0.848 75.7 55.2 -56.0 -35.2 28.5 32.1 41.0 55 66 A A H > S+ 0 0 39 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.932 112.3 43.2 -65.8 -44.5 29.8 29.8 43.8 56 67 A Q H > S+ 0 0 88 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.854 112.6 51.8 -67.0 -39.7 32.7 28.9 41.6 57 68 A V H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.956 111.9 47.6 -61.0 -50.0 33.3 32.5 40.5 58 69 A S H X S+ 0 0 3 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.913 113.2 47.3 -56.6 -48.1 33.4 33.6 44.1 59 70 A Q H X S+ 0 0 101 -4,-2.3 4,-2.1 1,-0.2 5,-0.2 0.875 113.1 48.7 -64.9 -37.5 35.8 30.9 45.2 60 71 A A H X S+ 0 0 1 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.892 114.2 45.5 -68.9 -39.3 38.1 31.5 42.2 61 72 A V H X S+ 0 0 0 -4,-2.4 4,-2.2 -5,-0.2 -2,-0.2 0.876 113.1 49.2 -69.6 -40.3 38.2 35.2 42.9 62 73 A L H X S+ 0 0 11 -4,-2.3 4,-3.4 2,-0.2 5,-0.3 0.962 112.5 47.8 -65.2 -48.1 38.7 34.8 46.7 63 74 A E H X S+ 0 0 86 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.923 112.0 50.6 -59.9 -48.8 41.6 32.3 46.2 64 75 A H H < S+ 0 0 61 -4,-2.0 4,-0.4 -5,-0.2 -1,-0.2 0.911 116.3 39.7 -55.1 -47.4 43.2 34.6 43.6 65 76 A I H >< S+ 0 0 0 -4,-2.2 3,-0.8 1,-0.2 -50,-0.4 0.936 117.5 48.4 -73.3 -35.5 43.0 37.6 45.8 66 77 A E H 3< S+ 0 0 94 -4,-3.4 -2,-0.2 1,-0.3 -3,-0.2 0.858 112.9 45.7 -75.5 -35.5 43.9 35.8 49.1 67 78 A Q T 3< S+ 0 0 162 -4,-2.5 -1,-0.3 -5,-0.3 2,-0.2 0.423 104.7 87.4 -85.8 -1.1 47.0 34.0 47.7 68 79 A G < - 0 0 19 -3,-0.8 -53,-0.9 -4,-0.4 2,-0.4 -0.537 63.4-147.0 -98.5 165.9 48.3 37.1 46.0 69 80 A R E -q 15 0B 180 -2,-0.2 2,-0.4 -55,-0.1 -53,-0.2 -0.984 27.6-178.8-127.8 117.9 50.5 40.1 47.0 70 81 A F E -q 16 0B 2 -55,-2.3 -53,-1.7 -2,-0.4 3,-0.1 -0.962 29.6-162.7-129.3 138.7 49.4 43.3 45.2 71 82 A L S S+ 0 0 71 -2,-0.4 2,-0.3 -55,-0.2 -1,-0.1 0.888 81.2 31.0 -77.9 -42.9 50.8 46.8 45.3 72 83 A L >> - 0 0 12 -55,-0.1 4,-1.1 207,-0.1 3,-0.6 -0.906 65.8-134.9-125.4 144.0 47.7 48.6 43.8 73 84 A V H 3> S+ 0 0 3 -2,-0.3 4,-2.3 1,-0.2 3,-0.3 0.874 106.0 69.5 -61.1 -31.6 43.9 47.9 43.9 74 85 A E H 3> S+ 0 0 6 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.890 99.4 48.9 -50.8 -42.2 44.0 48.7 40.1 75 86 A R H <> S+ 0 0 57 -3,-0.6 4,-2.5 2,-0.2 -1,-0.2 0.889 107.4 52.1 -70.4 -36.5 45.8 45.4 39.6 76 87 A V H X S+ 0 0 0 -4,-1.1 4,-2.3 -3,-0.3 5,-0.2 0.953 112.3 47.3 -64.5 -44.7 43.5 43.3 41.7 77 88 A A H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.942 112.8 47.3 -64.4 -48.0 40.5 44.6 39.7 78 89 A E H X S+ 0 0 15 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.939 113.7 49.5 -58.6 -43.8 42.2 44.0 36.2 79 90 A E H X S+ 0 0 47 -4,-2.5 4,-2.4 -5,-0.2 -1,-0.2 0.866 109.5 48.8 -67.4 -38.4 43.2 40.5 37.3 80 91 A V H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.883 109.9 54.0 -66.2 -41.8 39.8 39.5 38.6 81 92 A A H X S+ 0 0 2 -4,-2.4 4,-2.7 -5,-0.2 5,-0.2 0.963 111.9 43.9 -53.3 -52.4 38.3 40.8 35.3 82 93 A E H X S+ 0 0 54 -4,-2.4 4,-3.5 1,-0.2 5,-0.4 0.926 112.7 51.9 -58.4 -51.9 40.7 38.6 33.2 83 94 A L H X S+ 0 0 18 -4,-2.4 4,-2.4 2,-0.2 5,-0.3 0.879 112.9 44.6 -51.9 -46.7 40.2 35.6 35.4 84 95 A I H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 6,-0.8 0.958 116.7 44.4 -71.5 -48.2 36.4 35.8 35.1 85 96 A M H X S+ 0 0 9 -4,-2.7 4,-1.3 -5,-0.2 -2,-0.2 0.945 121.1 40.3 -57.8 -46.6 36.4 36.4 31.3 86 97 A T H < S+ 0 0 92 -4,-3.5 -2,-0.2 -5,-0.2 -3,-0.2 0.934 123.9 35.3 -71.5 -50.3 38.9 33.7 30.6 87 98 A R H < S+ 0 0 148 -4,-2.4 -1,-0.2 -5,-0.4 -3,-0.2 0.824 130.2 28.3 -77.0 -27.9 37.8 31.1 33.0 88 99 A F H < S- 0 0 30 -4,-2.4 -3,-0.2 -5,-0.3 -2,-0.2 0.469 95.6-126.1-117.9 -7.1 34.0 31.6 32.9 89 100 A A < + 0 0 83 -4,-1.3 -4,-0.2 -5,-0.4 -3,-0.1 0.789 46.1 166.5 68.1 31.4 33.6 32.9 29.4 90 101 A V - 0 0 5 -6,-0.8 -1,-0.2 1,-0.1 -53,-0.1 -0.661 26.8-154.6 -77.9 130.3 31.7 35.9 30.6 91 102 A P S S+ 0 0 72 0, 0.0 26,-1.5 0, 0.0 2,-0.3 0.563 71.4 12.0 -85.1 -12.6 31.5 38.4 27.8 92 103 A W E + D 0 116A 30 -56,-0.3 -56,-3.1 24,-0.2 2,-0.3 -0.937 65.8 167.0-162.3 142.1 31.1 41.7 29.8 93 104 A L E -CD 35 115A 1 22,-2.1 22,-2.3 -2,-0.3 2,-0.4 -0.977 22.6-147.8-156.1 158.8 31.5 42.6 33.4 94 105 A R E -CD 34 114A 82 -60,-2.1 -60,-2.5 -2,-0.3 2,-0.4 -0.990 16.6-167.1-128.3 138.2 31.7 45.6 35.8 95 106 A I E -CD 33 113A 0 18,-2.5 18,-2.4 -2,-0.4 2,-0.5 -0.994 8.4-168.6-128.1 132.0 33.8 45.5 38.9 96 107 A R E -CD 32 112A 67 -64,-2.4 -64,-2.6 -2,-0.4 2,-0.5 -0.992 13.3-171.9-118.3 120.1 33.7 48.0 41.7 97 108 A L E -CD 31 111A 0 14,-2.9 14,-1.9 -2,-0.5 2,-0.4 -0.987 2.2-170.6-119.6 122.5 36.6 47.4 44.2 98 109 A T E -CD 30 110A 16 -68,-2.5 -68,-2.5 -2,-0.5 12,-0.2 -0.934 20.0-159.9-119.3 142.8 36.8 49.3 47.4 99 110 A K E > - D 0 109A 11 10,-3.1 10,-1.1 -2,-0.4 3,-0.9 -0.929 12.8-167.3-115.3 95.5 39.5 49.6 50.0 100 111 A P T 3 S+ 0 0 46 0, 0.0 3,-0.3 0, 0.0 -1,-0.1 0.863 81.8 53.1 -59.7 -36.6 37.6 50.8 53.0 101 112 A G T 3 S+ 0 0 55 -73,-0.4 5,-0.1 1,-0.2 7,-0.1 0.790 79.9 105.3 -63.8 -27.4 40.7 51.8 55.0 102 113 A A S < S+ 0 0 29 -3,-0.9 -1,-0.2 7,-0.2 5,-0.1 0.616 87.0 11.5 -35.7 -61.6 42.2 54.0 52.4 103 114 A V S > S- 0 0 6 -3,-0.3 3,-1.8 -4,-0.3 -1,-0.1 -0.996 70.3-140.5-126.9 132.1 41.7 57.5 53.5 104 115 A P T 3 S+ 0 0 117 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.769 98.3 53.9 -72.6 -23.0 40.5 58.0 57.0 105 116 A Q T 3 S+ 0 0 84 -3,-0.1 143,-2.6 142,-0.0 2,-0.3 0.394 104.8 66.6 -79.9 -0.5 38.0 60.9 56.3 106 117 A A S < S- 0 0 11 -3,-1.8 141,-0.2 141,-0.2 140,-0.2 -0.846 80.4-129.4-125.4 151.6 36.2 58.8 53.6 107 118 A K S S- 0 0 123 138,-2.2 2,-0.3 139,-0.4 139,-0.2 0.776 84.3 -34.1 -75.1 -29.3 34.1 55.7 53.8 108 119 A G E - E 0 245A 0 137,-1.4 137,-2.7 -7,-0.1 2,-0.3 -0.953 48.6-143.7-174.0 172.4 36.2 54.2 51.1 109 120 A V E +DE 99 244A 0 -10,-1.1 -10,-3.1 -2,-0.3 2,-0.3 -0.947 35.9 116.9-138.9 155.8 38.1 54.6 47.9 110 121 A G E -DE 98 243A 0 133,-1.9 133,-2.5 -2,-0.3 2,-0.3 -0.982 46.7 -73.4 179.4-158.6 38.5 52.4 44.9 111 122 A V E -DE 97 242A 1 -14,-1.9 -14,-2.9 -2,-0.3 2,-0.4 -0.930 16.8-158.7-130.1 155.4 38.0 51.7 41.3 112 123 A I E +DE 96 241A 18 129,-2.2 129,-2.7 -2,-0.3 2,-0.3 -0.996 21.5 172.6-129.4 123.9 35.3 50.8 38.9 113 124 A I E -D 95 0A 1 -18,-2.4 -18,-2.5 -2,-0.4 2,-0.4 -0.941 20.1-155.3-132.5 150.8 36.1 49.1 35.6 114 125 A E E +D 94 0A 49 -2,-0.3 2,-0.3 124,-0.3 -20,-0.2 -0.999 18.7 179.2-121.6 131.8 34.1 47.6 32.8 115 126 A R E +D 93 0A 38 -22,-2.3 -22,-2.1 -2,-0.4 2,-0.3 -0.945 6.5 178.3-131.5 153.0 35.6 44.9 30.6 116 127 A A E D 92 0A 70 -2,-0.3 -24,-0.2 -24,-0.2 -2,-0.0 -0.986 360.0 360.0-152.3 151.4 34.3 42.9 27.6 117 128 A R 0 0 174 -26,-1.5 -2,-0.0 -2,-0.3 0, 0.0 -0.979 360.0 360.0-123.2 360.0 35.8 40.2 25.3 118 !* 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 0.0 119 11 B L 0 0 140 0, 0.0 3,-0.1 0, 0.0 234,-0.0 0.000 360.0 360.0 360.0 144.3 27.4 65.2 30.1 120 12 B S - 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H 0 215A 41 64,-2.8 64,-3.0 -2,-0.4 2,-0.4 -0.992 18.2-173.4-118.0 130.1 13.6 61.9 46.6 152 44 B L E -FH 126 214A 2 -26,-2.6 -26,-2.5 -2,-0.5 2,-0.4 -0.993 15.7-174.6-130.1 128.6 13.8 64.8 44.2 153 45 B E E -FH 125 213A 48 60,-2.4 60,-2.0 -2,-0.4 2,-0.4 -0.982 14.6-171.3-117.2 128.1 16.5 65.7 41.6 154 46 B M E -FH 124 212A 0 -30,-2.7 -30,-2.4 -2,-0.4 58,-0.2 -0.980 24.7-119.9-123.5 133.6 16.0 69.0 39.9 155 47 B A E +F 123 0A 1 56,-3.4 56,-0.3 -2,-0.4 -32,-0.3 -0.504 46.1 151.3 -67.2 132.7 17.9 70.4 36.9 156 48 B H - 0 0 48 -34,-2.0 2,-0.3 -2,-0.2 15,-0.1 -0.848 45.9-122.0-161.0 124.5 19.7 73.7 37.7 157 49 B D - 0 0 74 -2,-0.3 4,-0.4 1,-0.1 3,-0.2 -0.543 20.4-161.7 -78.0 130.7 22.9 74.8 36.0 158 50 B N > + 0 0 4 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.489 65.0 91.4 -86.6 -9.7 25.6 75.3 38.7 159 51 B R H > S+ 0 0 160 2,-0.2 4,-1.1 1,-0.2 5,-0.2 0.900 85.8 44.4 -62.8 -46.9 28.0 77.5 36.8 160 52 B A H >> S+ 0 0 53 -3,-0.2 4,-2.9 1,-0.2 3,-1.1 0.975 118.8 41.4 -63.8 -57.7 26.8 80.9 37.7 161 53 B A H 3> S+ 0 0 0 8,-0.4 4,-2.4 -4,-0.4 -1,-0.2 0.851 109.1 61.7 -56.2 -38.8 26.3 80.3 41.3 162 54 B G H 3< S+ 0 0 3 -4,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.786 115.4 31.6 -63.1 -25.5 29.5 78.4 41.4 163 55 B K H << S+ 0 0 191 -3,-1.1 -2,-0.2 -4,-1.1 -1,-0.2 0.805 123.4 45.3 -99.3 -35.9 31.5 81.4 40.4 164 56 B S H < S- 0 0 52 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.785 80.9-149.0 -75.0 -30.9 29.4 84.1 41.9 165 57 B D < + 0 0 25 -4,-2.4 2,-0.5 -5,-0.2 -4,-0.1 0.671 53.8 138.8 60.1 20.7 28.9 82.6 45.4 166 58 B D > - 0 0 82 -6,-0.2 3,-2.2 -5,-0.1 4,-0.4 -0.843 56.0-145.0-107.9 126.4 25.5 84.5 45.2 167 59 B V G > S+ 0 0 65 -2,-0.5 3,-1.7 1,-0.3 -1,-0.1 0.758 95.2 71.3 -60.7 -28.7 22.4 82.9 46.4 168 60 B A G 3 S+ 0 0 81 1,-0.3 -1,-0.3 -7,-0.0 4,-0.1 0.766 98.1 51.2 -60.4 -24.7 20.3 84.6 43.7 169 61 B D G < S+ 0 0 60 -3,-2.2 -8,-0.4 -9,-0.1 -1,-0.3 0.605 100.4 85.5 -86.3 -12.2 22.0 82.3 41.2 170 62 B A S < S- 0 0 18 -3,-1.7 2,-0.4 -4,-0.4 -12,-0.0 -0.425 84.8-108.5 -86.9 159.6 21.1 79.2 43.3 171 63 B L - 0 0 13 -2,-0.1 2,-1.8 -15,-0.1 3,-0.2 -0.719 34.1-127.3 -81.9 134.7 18.0 77.0 43.5 172 64 B D > + 0 0 68 -2,-0.4 4,-2.8 1,-0.2 3,-0.2 -0.583 35.1 172.6 -91.7 81.2 16.3 77.7 46.7 173 65 B Y H > S+ 0 0 46 -2,-1.8 4,-2.7 1,-0.2 -1,-0.2 0.761 76.5 58.3 -58.2 -30.3 16.0 74.2 48.0 174 66 B A H > S+ 0 0 34 2,-0.2 4,-2.3 -3,-0.2 -1,-0.2 0.908 110.1 43.9 -68.1 -43.4 14.7 75.4 51.4 175 67 B Q H > S+ 0 0 106 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.931 113.2 51.5 -65.1 -42.6 11.8 77.2 49.6 176 68 B V H X S+ 0 0 0 -4,-2.8 4,-2.7 1,-0.2 5,-0.3 0.973 111.2 49.1 -57.1 -52.7 11.2 74.1 47.4 177 69 B S H X S+ 0 0 2 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.879 111.7 46.4 -52.7 -51.8 11.1 71.9 50.5 178 70 B Q H X S+ 0 0 122 -4,-2.3 4,-2.4 2,-0.2 5,-0.2 0.908 112.7 49.7 -60.3 -42.8 8.6 74.2 52.3 179 71 B A H X S+ 0 0 7 -4,-2.9 4,-2.1 2,-0.2 -2,-0.2 0.917 114.3 45.4 -64.8 -39.6 6.3 74.5 49.3 180 72 B V H X S+ 0 0 0 -4,-2.7 4,-2.7 -5,-0.2 5,-0.3 0.935 113.3 49.6 -67.5 -44.6 6.3 70.7 48.7 181 73 B L H X S+ 0 0 10 -4,-2.5 4,-3.1 -5,-0.3 5,-0.3 0.934 112.3 47.4 -61.1 -44.5 5.7 69.9 52.4 182 74 B E H X S+ 0 0 101 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.930 110.8 51.6 -63.8 -41.8 2.8 72.4 52.7 183 75 B H H < S+ 0 0 60 -4,-2.1 4,-0.5 -5,-0.2 -2,-0.2 0.940 116.1 39.7 -64.3 -45.2 1.2 71.0 49.6 184 76 B I H >< S+ 0 0 0 -4,-2.7 3,-1.2 1,-0.2 -50,-0.4 0.942 116.6 48.4 -69.9 -45.1 1.4 67.4 50.8 185 77 B E H 3< S+ 0 0 98 -4,-3.1 -1,-0.2 -5,-0.3 -2,-0.2 0.857 112.9 49.1 -64.1 -32.6 0.5 68.1 54.5 186 78 B Q T 3< S+ 0 0 149 -4,-2.2 -1,-0.3 -5,-0.3 -2,-0.2 0.550 104.2 77.4 -83.9 -8.1 -2.5 70.3 53.5 187 79 B G < - 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0 0 4 -6,-0.6 -1,-0.2 -5,-0.2 -53,-0.1 -0.829 23.8-157.0 -87.6 124.9 41.4 64.3 35.2 328 102 C P S S+ 0 0 72 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.708 73.6 8.5 -76.2 -24.7 39.4 64.4 31.9 329 103 C W + 0 0 27 -56,-0.2 -56,-2.9 2,-0.0 2,-0.3 -0.970 68.0 168.7-155.1 143.9 36.0 63.8 33.4 330 104 C L E -LM 272 352A 1 22,-2.1 22,-2.2 -2,-0.3 2,-0.4 -0.975 22.2-144.6-158.1 152.8 34.5 63.7 37.0 331 105 C R E -LM 271 351A 66 -60,-2.7 -60,-2.1 -2,-0.3 2,-0.5 -0.991 16.1-164.4-120.4 130.8 31.3 63.6 38.8 332 106 C I E -LM 270 350A 1 18,-3.1 18,-2.5 -2,-0.4 2,-0.5 -0.967 9.7-174.2-116.4 129.8 30.8 65.4 42.1 333 107 C R E -LM 269 349A 75 -64,-2.5 -64,-2.9 -2,-0.5 2,-0.5 -0.993 11.8-173.7-117.3 121.2 28.0 64.8 44.5 334 108 C L E -LM 268 348A 1 14,-2.3 14,-1.9 -2,-0.5 2,-0.4 -0.980 3.6-168.8-123.4 121.1 28.2 67.3 47.5 335 109 C T E -LM 267 347A 12 -68,-3.0 -68,-2.2 -2,-0.5 12,-0.2 -0.869 21.0-161.7-118.1 141.2 25.7 66.9 50.4 336 110 C K E > - M 0 346A 12 10,-3.0 3,-1.5 -2,-0.4 10,-0.6 -0.902 15.3-167.3-115.1 92.6 24.9 69.2 53.3 337 111 C P T 3 S+ 0 0 44 0, 0.0 3,-0.4 0, 0.0 -1,-0.2 0.851 80.3 47.9 -54.3 -41.9 23.2 66.7 55.7 338 112 C G T 3 S+ 0 0 62 -73,-0.3 7,-0.1 1,-0.2 5,-0.1 0.571 80.2 104.1 -79.0 -8.3 21.8 69.2 58.0 339 113 C A S < S+ 0 0 27 -3,-1.5 -1,-0.2 7,-0.2 3,-0.1 0.786 86.8 22.4 -54.3 -49.7 20.2 71.6 55.5 340 114 C V S > S- 0 0 8 -3,-0.4 3,-1.9 -4,-0.3 -1,-0.1 -0.985 70.4-145.2-123.8 128.1 16.6 70.7 55.8 341 115 C P T 3 S+ 0 0 118 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.806 97.7 52.8 -64.0 -30.8 15.4 69.1 59.0 342 116 C Q T 3 S+ 0 0 82 -3,-0.1 -212,-2.7 -213,-0.0 2,-0.3 0.401 106.1 64.0 -79.0 0.7 12.7 66.9 57.3 343 117 C A S < S- 0 0 12 -3,-1.9 -214,-0.2 -214,-0.2 -215,-0.2 -0.853 75.9-132.2-127.0 159.8 15.2 65.5 54.8 344 118 C K S S- 0 0 121 -217,-2.1 2,-0.3 -2,-0.3 -216,-0.2 0.851 84.5 -18.3 -79.8 -36.3 18.2 63.3 55.1 345 119 C G E -G 127 0A 1 -218,-1.3 -218,-2.7 -7,-0.1 2,-0.3 -0.990 47.5-154.0-162.9 159.7 20.3 65.6 52.8 346 120 C V E +GM 126 336A 3 -10,-0.6 -10,-3.0 -2,-0.3 2,-0.3 -0.983 36.0 123.5-136.1 151.0 20.4 68.3 50.2 347 121 C G E -GM 125 335A 5 -222,-2.1 -222,-2.3 -2,-0.3 2,-0.3 -0.957 46.5 -84.8-174.0-171.7 23.1 68.9 47.6 348 122 C V E -GM 124 334A 1 -14,-1.9 -14,-2.3 -2,-0.3 2,-0.4 -0.916 18.6-159.4-123.4 155.8 24.4 69.3 44.1 349 123 C I E +GM 123 333A 20 -226,-2.4 -226,-2.3 -2,-0.3 2,-0.3 -0.988 19.9 171.5-132.1 120.2 25.5 66.9 41.5 350 124 C I E - 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0 0 122 -2,-0.2 2,-0.3 -11,-0.1 -11,-0.2 -0.824 30.8-173.6 -98.9 142.0 13.2 27.1 53.4 383 38 D Q E -N 370 0A 35 -13,-3.2 -13,-2.8 -2,-0.4 2,-0.4 -0.921 23.2-111.1-134.2 156.7 15.3 30.1 52.4 384 39 D K E -N 369 0A 88 -2,-0.3 73,-0.4 -15,-0.2 2,-0.3 -0.717 25.3-173.2 -87.3 133.0 14.7 33.9 51.9 385 40 D L E -N 368 0A 0 -17,-2.5 -17,-2.5 -2,-0.4 2,-0.5 -0.954 10.5-151.7-115.5 150.3 14.7 35.6 48.5 386 41 D V E -NO 367 454A 15 68,-2.6 68,-3.0 -2,-0.3 2,-0.4 -0.980 11.9-164.7-123.6 127.9 14.5 39.4 48.2 387 42 D L E -NO 366 453A 0 -21,-2.9 -21,-3.2 -2,-0.5 2,-0.5 -0.921 12.9-168.1-117.6 135.5 13.0 41.0 45.0 388 43 D D E - O 0 452A 42 64,-2.8 64,-3.0 -2,-0.4 2,-0.4 -0.997 17.8-174.0-113.9 127.7 13.2 44.5 43.7 389 44 D L E -NO 363 451A 0 -26,-2.5 -26,-2.2 -2,-0.5 2,-0.4 -0.980 13.9-174.0-126.9 130.1 10.7 45.1 40.8 390 45 D E E -NO 362 450A 41 60,-2.4 60,-2.5 -2,-0.4 2,-0.4 -0.998 13.8-172.2-124.3 126.4 10.4 48.3 38.6 391 46 D M E -NO 361 449A 0 -30,-3.0 -30,-2.3 -2,-0.4 58,-0.2 -0.964 24.8-119.3-121.4 131.2 7.4 48.2 36.2 392 47 D A E +N 360 0A 4 56,-2.7 56,-0.3 -2,-0.4 -32,-0.2 -0.511 45.7 151.8 -68.0 128.7 6.5 50.7 33.4 393 48 D H - 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