==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 23-APR-07 2YWR . COMPND 2 MOLECULE: PHOSPHORIBOSYLGLYCINAMIDE FORMYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: AQUIFEX AEOLICUS; . AUTHOR M.KANAGAWA,S.BABA,S.KURAMITSU,S.YOKOYAMA,G.KAWAI,G.SAMPEI, . 216 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10584.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 148 68.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 11.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 22 10.2 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 . 18 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 54 25.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 2.3 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 1 0 0 0 1 1 0 1 0 0 1 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 2 1 0 0 1 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 1 0 2 0 0 1 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 1 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 X 0 0 152 0, 0.0 2,-0.5 0, 0.0 28,-0.2 0.000 360.0 360.0 360.0 152.4 17.1 -4.1 27.5 2 2 A L E -a 29 0A 19 26,-1.7 28,-2.7 80,-0.0 2,-0.6 -0.702 360.0-143.1 -65.8 124.5 16.8 -0.4 27.7 3 3 A K E +a 30 0A 86 -2,-0.5 79,-3.3 77,-0.2 80,-1.4 -0.812 27.4 177.7 -93.2 120.1 14.1 0.7 25.3 4 4 A I E -ab 31 83A 1 26,-2.6 28,-2.1 -2,-0.6 29,-0.9 -0.831 21.4-152.9-123.2 160.9 14.9 4.0 23.6 5 5 A G E -ab 33 84A 0 78,-2.4 80,-3.0 -2,-0.3 2,-0.4 -0.962 12.0-151.6-128.2 145.8 13.3 6.3 21.0 6 6 A V E -ab 34 85A 0 27,-2.0 29,-2.6 -2,-0.4 2,-0.5 -0.983 1.2-153.3-125.4 131.8 15.3 8.6 18.7 7 7 A L E +ab 35 86A 0 78,-2.6 80,-2.8 -2,-0.4 82,-0.5 -0.886 24.7 172.9-102.6 129.9 14.0 11.9 17.2 8 8 A V E +a 36 0A 0 27,-2.8 29,-1.5 -2,-0.5 30,-0.3 -0.879 29.4 178.2-134.7 165.7 15.6 12.9 13.9 9 9 A S - 0 0 11 78,-0.5 31,-0.1 -2,-0.3 80,-0.1 0.403 69.5 -7.2-142.9 -10.7 15.3 15.6 11.2 10 10 A G S S- 0 0 24 77,-0.4 33,-2.1 31,-0.1 34,-0.2 -0.352 112.1 -1.0-151.0-130.0 18.1 14.9 8.7 11 11 A R - 0 0 162 31,-0.2 77,-0.1 30,-0.1 -3,-0.0 0.857 67.4-158.4 -47.6 -46.4 21.2 13.0 7.8 12 12 A G > + 0 0 8 75,-0.1 4,-2.0 3,-0.1 3,-0.2 0.811 35.0 151.9 70.1 35.0 21.1 11.1 11.1 13 13 A S H > S+ 0 0 15 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.856 75.9 55.6 -64.9 -32.4 24.7 10.0 11.4 14 14 A N H > S+ 0 0 13 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.863 105.0 51.9 -67.5 -33.9 24.3 10.0 15.2 15 15 A L H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.932 108.0 52.9 -65.2 -42.7 21.4 7.6 14.9 16 16 A Q H X S+ 0 0 28 -4,-2.0 4,-3.0 1,-0.2 5,-0.2 0.900 104.9 54.4 -58.6 -41.7 23.6 5.4 12.8 17 17 A A H X S+ 0 0 14 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.905 110.2 46.1 -60.8 -41.7 26.3 5.3 15.5 18 18 A I H X S+ 0 0 1 -4,-1.7 4,-2.1 2,-0.2 -1,-0.2 0.933 112.7 50.4 -65.8 -45.7 23.8 4.2 18.1 19 19 A I H X S+ 0 0 3 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.922 113.2 45.7 -57.1 -46.7 22.4 1.5 15.6 20 20 A D H X S+ 0 0 74 -4,-3.0 4,-2.1 1,-0.2 6,-0.2 0.873 111.0 52.2 -66.1 -37.6 25.9 0.2 14.9 21 21 A A H <>S+ 0 0 3 -4,-2.2 5,-2.2 -5,-0.2 6,-1.5 0.844 112.6 45.9 -67.1 -34.6 26.9 0.2 18.6 22 22 A I H ><5S+ 0 0 36 -4,-2.1 3,-1.4 4,-0.2 -2,-0.2 0.924 112.6 49.6 -73.0 -45.7 23.8 -1.8 19.4 23 23 A E H 3<5S+ 0 0 120 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.844 109.6 51.2 -63.3 -33.6 24.3 -4.2 16.5 24 24 A S T 3<5S- 0 0 64 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.478 117.6-114.8 -82.4 -1.9 27.9 -4.8 17.5 25 25 A G T < 5S+ 0 0 64 -3,-1.4 -3,-0.2 2,-0.2 -2,-0.1 0.619 84.8 117.5 80.8 12.9 26.8 -5.5 21.1 26 26 A K S - 0 0 54 -30,-0.3 3,-1.6 20,-0.1 6,-0.2 -0.967 68.5-156.5-126.4 113.8 11.0 15.5 8.0 39 39 A P T 3 S+ 0 0 68 0, 0.0 -1,-0.1 0, 0.0 17,-0.0 0.654 95.5 48.3 -62.4 -16.5 9.7 13.0 5.4 40 40 A K T 3 S+ 0 0 191 -31,-0.1 2,-0.1 4,-0.0 5,-0.1 0.315 77.2 132.3-107.7 7.7 12.9 13.3 3.3 41 41 A A X> - 0 0 4 -3,-1.6 3,-1.6 1,-0.2 4,-0.6 -0.362 58.2-138.0 -61.7 134.3 15.5 12.8 6.1 42 42 A Y H >> S+ 0 0 92 1,-0.3 4,-1.6 2,-0.2 3,-0.9 0.776 99.4 77.5 -63.7 -23.3 18.1 10.2 5.2 43 43 A A H 3> S+ 0 0 0 -33,-2.1 4,-1.6 1,-0.3 -1,-0.3 0.824 86.9 59.7 -54.0 -32.2 17.7 9.0 8.7 44 44 A I H <> S+ 0 0 17 -3,-1.6 4,-1.6 1,-0.2 -1,-0.3 0.875 101.7 51.9 -65.1 -38.8 14.5 7.3 7.5 45 45 A E H S+ 0 0 1 -4,-1.6 5,-2.5 1,-0.2 4,-0.7 0.892 108.4 51.1 -64.0 -38.9 15.9 2.7 9.6 48 48 A K H ><5S+ 0 0 152 -4,-1.6 3,-0.8 1,-0.2 -2,-0.2 0.926 108.8 50.8 -64.1 -43.7 14.8 0.8 6.6 49 49 A K H 3<5S+ 0 0 142 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.712 119.9 36.1 -66.9 -21.0 18.2 -0.7 6.1 50 50 A H H 3<5S- 0 0 46 -4,-1.1 -1,-0.2 -3,-0.3 -2,-0.2 0.302 108.8-115.8-115.9 7.7 18.4 -1.9 9.7 51 51 A N T <<5 + 0 0 159 -3,-0.8 2,-0.5 -4,-0.7 -3,-0.2 0.928 60.6 152.0 57.4 48.7 14.7 -2.8 10.3 52 52 A V < - 0 0 23 -5,-2.5 -1,-0.2 -6,-0.1 -2,-0.1 -0.948 51.9-111.2-109.7 126.4 14.1 -0.1 12.9 53 53 A E - 0 0 81 -2,-0.5 -19,-1.9 -22,-0.4 2,-0.4 -0.365 41.1-174.3 -61.1 130.3 10.6 1.1 13.2 54 54 A C E -c 34 0A 37 -21,-0.2 2,-0.4 -2,-0.1 -19,-0.2 -0.986 11.9-171.6-131.7 139.0 10.3 4.7 11.9 55 55 A K E -c 35 0A 69 -21,-2.6 -19,-2.4 -2,-0.4 2,-0.7 -0.996 16.6-142.9-131.0 135.2 7.4 7.1 11.9 56 56 A V E +c 36 0A 54 -2,-0.4 2,-0.5 -21,-0.2 -19,-0.2 -0.884 22.6 176.4 -99.6 115.8 7.2 10.5 10.2 57 57 A I - 0 0 4 -21,-2.2 2,-0.3 -2,-0.7 -2,-0.1 -0.962 13.0-159.9-122.9 109.9 5.3 13.0 12.3 58 58 A Q > - 0 0 38 -2,-0.5 3,-1.7 1,-0.1 4,-0.1 -0.726 22.8-135.6 -97.5 141.3 5.2 16.5 10.8 59 59 A R G > S+ 0 0 69 -2,-0.3 3,-1.9 -22,-0.3 -1,-0.1 0.870 104.8 62.1 -55.7 -40.9 4.5 19.7 12.6 60 60 A K G 3 S+ 0 0 170 1,-0.3 -1,-0.3 8,-0.0 -3,-0.0 0.636 88.4 72.0 -64.1 -13.2 2.2 20.9 9.8 61 61 A E G < S+ 0 0 108 -3,-1.7 -1,-0.3 1,-0.0 -2,-0.2 0.473 98.4 54.1 -81.6 -0.2 -0.1 17.9 10.5 62 62 A F S < S- 0 0 30 -3,-1.9 6,-0.1 1,-0.1 -1,-0.0 -0.994 72.7-142.3-134.7 138.7 -1.3 19.6 13.7 63 63 A P S S+ 0 0 115 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.943 88.5 38.9 -64.4 -43.7 -2.7 23.1 14.2 64 64 A S S > S- 0 0 48 1,-0.1 4,-1.2 -4,-0.0 5,-0.1 -0.726 73.4-131.6-110.3 157.2 -0.9 23.5 17.5 65 65 A K H > S+ 0 0 85 -2,-0.3 4,-3.0 1,-0.2 5,-0.3 0.851 108.0 63.2 -69.1 -35.0 2.6 22.6 18.9 66 66 A K H > S+ 0 0 105 1,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.924 106.1 43.2 -54.2 -50.3 0.9 21.2 22.0 67 67 A E H > S+ 0 0 98 2,-0.2 4,-2.1 1,-0.2 -1,-0.3 0.758 112.7 53.7 -57.3 -45.0 -0.9 18.5 19.8 68 68 A F H < S+ 0 0 4 -4,-1.2 -2,-0.2 2,-0.2 -1,-0.2 0.942 112.8 41.6 -63.1 -50.4 2.2 17.9 17.8 69 69 A E H X S+ 0 0 1 -4,-3.0 4,-2.6 1,-0.2 3,-0.4 0.861 112.4 55.4 -65.2 -39.0 4.3 17.2 20.9 70 70 A E H X S+ 0 0 49 -4,-2.3 4,-2.9 -5,-0.3 5,-0.2 0.926 107.3 49.7 -59.7 -46.8 1.6 15.2 22.6 71 71 A R H < S+ 0 0 108 -4,-2.1 -1,-0.2 1,-0.2 -4,-0.1 -0.159 111.1 48.5 -58.5 -47.5 1.3 12.9 19.6 72 72 A X H > S+ 0 0 0 -3,-0.4 4,-1.7 -5,-0.1 -2,-0.2 0.281 113.5 47.2 -59.9 -49.7 5.1 12.3 19.5 73 73 A A H X S+ 0 0 2 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.939 113.0 50.0 -54.9 -47.9 5.1 11.6 23.4 74 74 A L H X S+ 0 0 86 -4,-2.9 4,-2.7 1,-0.2 -1,-0.2 0.923 108.5 50.6 -59.4 -48.0 2.2 9.2 23.1 75 75 A E H > S+ 0 0 23 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.847 113.5 46.6 -60.4 -34.6 3.7 7.2 20.2 76 76 A L H ><>S+ 0 0 0 -4,-1.7 5,-2.2 2,-0.2 3,-0.8 0.914 111.7 50.6 -73.5 -42.1 6.9 6.8 22.2 77 77 A K H ><5S+ 0 0 94 -4,-2.8 3,-2.0 1,-0.2 -2,-0.2 0.883 103.5 59.5 -61.7 -38.8 5.0 5.8 25.4 78 78 A K H 3<5S+ 0 0 136 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.773 106.3 48.8 -61.1 -25.5 3.1 3.2 23.4 79 79 A K T <<5S- 0 0 68 -3,-0.8 -1,-0.3 -4,-0.6 -2,-0.2 0.318 116.9-115.0 -96.1 6.0 6.4 1.6 22.5 80 80 A G T < 5 - 0 0 36 -3,-2.0 -77,-0.2 1,-0.2 -3,-0.2 0.764 47.9-179.5 66.9 25.4 7.5 1.6 26.2 81 81 A V < + 0 0 5 -5,-2.2 -77,-0.2 1,-0.2 -1,-0.2 -0.403 14.7 178.2 -61.6 128.7 10.3 4.0 25.4 82 82 A E + 0 0 92 -79,-3.3 2,-0.4 1,-0.3 -78,-0.2 0.700 68.4 38.4-103.2 -29.9 12.3 4.8 28.6 83 83 A L E -b 4 0A 0 -80,-1.4 -78,-2.4 2,-0.0 2,-0.5 -0.992 68.1-155.0-128.2 130.6 15.0 7.1 27.1 84 84 A V E -bd 5 105A 0 20,-3.0 22,-2.8 -2,-0.4 2,-0.5 -0.919 11.9-165.8-106.9 126.5 14.4 9.7 24.4 85 85 A V E -bd 6 106A 0 -80,-3.0 -78,-2.6 -2,-0.5 2,-0.6 -0.953 10.5-151.0-117.7 123.4 17.4 10.7 22.3 86 86 A L E +bd 7 107A 13 20,-2.9 22,-0.9 -2,-0.5 2,-0.4 -0.831 18.2 176.6 -92.6 121.5 17.5 13.7 20.0 87 87 A A S S- 0 0 1 -80,-2.8 -78,-0.5 -2,-0.6 -77,-0.4 -0.792 77.1 -28.4-128.0 86.9 19.9 13.1 17.1 88 88 A G S S+ 0 0 45 -2,-0.4 -80,-0.1 20,-0.3 -79,-0.1 0.613 90.1 162.1 83.2 12.0 19.9 16.0 14.7 89 89 A F - 0 0 13 -82,-0.5 -80,-0.2 -81,-0.2 3,-0.1 0.326 23.8-165.4 -69.3 134.1 16.3 16.8 15.6 90 90 A X + 0 0 121 -82,-0.1 2,-0.2 1,-0.1 -1,-0.1 0.445 54.7 91.0-104.1 -0.4 15.5 20.4 14.6 91 91 A R S S- 0 0 109 1,-0.0 2,-0.6 0, 0.0 -1,-0.1 -0.611 75.5-120.1 -92.6 157.1 12.3 21.2 16.5 92 92 A I - 0 0 134 -2,-0.2 2,-0.3 -3,-0.1 52,-0.0 -0.880 25.7-142.5-100.8 120.7 12.3 22.8 20.0 93 93 A L - 0 0 11 -2,-0.6 2,-0.2 48,-0.1 48,-0.0 -0.593 17.6-165.5 -85.7 140.1 10.7 20.6 22.7 94 94 A S >> - 0 0 30 -2,-0.3 4,-2.5 -29,-0.1 3,-1.8 -0.545 43.9 -83.1-113.4-178.1 8.6 22.2 25.4 95 95 A H H 3> S+ 0 0 101 1,-0.3 4,-2.2 2,-0.2 5,-0.2 0.770 120.7 74.3 -55.8 -27.5 7.2 21.1 28.8 96 96 A N H 34 S+ 0 0 43 1,-0.2 -1,-0.3 2,-0.2 4,-0.1 0.853 113.5 22.1 -55.0 -36.9 4.3 19.6 26.8 97 97 A F H X4 S+ 0 0 0 -3,-1.8 3,-1.4 2,-0.1 4,-0.4 0.856 121.5 56.1 -96.7 -48.6 6.7 16.8 25.7 98 98 A L H >< S+ 0 0 18 -4,-2.5 3,-1.2 1,-0.3 6,-0.2 0.772 91.5 71.4 -58.5 -32.0 9.4 16.9 28.4 99 99 A K T 3< S+ 0 0 92 -4,-2.2 -1,-0.3 1,-0.3 -3,-0.1 0.783 95.3 56.2 -58.3 -25.3 7.0 16.4 31.3 100 100 A Y T < S+ 0 0 82 -3,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.746 112.7 39.3 -78.8 -23.8 6.4 12.8 30.2 101 101 A F S X S- 0 0 4 -3,-1.2 3,-2.8 -4,-0.4 -1,-0.2 -0.519 81.4-160.0-125.8 64.2 10.1 11.9 30.3 102 102 A P T 3 S- 0 0 88 0, 0.0 -3,-0.1 0, 0.0 -4,-0.0 -0.219 80.6 -18.3 -50.4 114.4 11.6 13.6 33.4 103 103 A N T 3 S+ 0 0 83 37,-0.2 38,-0.1 -5,-0.1 -4,-0.1 0.783 116.5 105.4 55.5 29.7 15.3 13.8 32.9 104 104 A K < + 0 0 59 -3,-2.8 -20,-3.0 -6,-0.2 2,-0.5 0.072 52.3 87.6-124.2 20.4 14.9 11.1 30.3 105 105 A V E +d 84 0A 1 -4,-0.2 35,-3.0 35,-0.2 2,-0.3 -0.987 56.1 178.0-122.8 119.7 15.4 13.3 27.2 106 106 A I E -dE 85 139A 0 -22,-2.8 -20,-2.9 -2,-0.5 2,-0.3 -0.825 10.1-166.9-122.7 164.3 19.0 13.8 26.0 107 107 A N E -dE 86 138A 23 31,-2.1 31,-2.1 -2,-0.3 2,-0.5 -0.977 19.2-132.3-146.8 155.0 20.7 15.5 23.1 108 108 A I E - E 0 137A 10 -22,-0.9 -20,-0.3 -2,-0.3 29,-0.2 -0.956 26.4-174.2-111.3 124.7 24.1 15.6 21.4 109 109 A H E - E 0 136A 11 27,-2.8 27,-2.9 -2,-0.5 2,-1.8 -0.985 27.2-129.9-124.1 131.6 25.4 19.2 20.7 110 110 A P S S+ 0 0 19 0, 0.0 2,-0.3 0, 0.0 24,-0.3 -0.252 81.5 57.5 -76.1 50.8 28.6 20.0 18.8 111 111 A S S S- 0 0 0 -2,-1.8 2,-1.3 22,-0.1 -2,-0.2 -0.957 93.1 -96.1-163.0 167.3 30.2 22.4 21.3 112 112 A L > - 0 0 44 -2,-0.3 3,-1.9 20,-0.1 5,-0.1 -0.755 69.7-112.1 -91.8 87.0 31.4 22.5 24.9 113 113 A I T 3 S+ 0 0 13 -2,-1.3 33,-0.1 1,-0.3 3,-0.1 -0.222 100.1 39.8 -56.4 152.7 28.2 24.0 26.2 114 114 A P T > S+ 0 0 96 0, 0.0 3,-0.5 0, 0.0 -1,-0.3 -0.975 108.9 81.4 -74.2 4.8 27.5 26.7 27.5 115 115 A A T < S+ 0 0 45 -3,-1.9 10,-0.1 1,-0.2 6,-0.0 -0.503 104.9 1.4 -73.7 143.4 29.8 27.9 24.8 116 116 A F T 3 S- 0 0 34 -2,-0.2 -1,-0.2 1,-0.1 9,-0.1 0.901 81.6-179.0 45.4 61.6 28.4 28.2 21.3 117 117 A Q < + 0 0 70 -3,-0.5 28,-0.1 -5,-0.1 -1,-0.1 -0.394 42.8 28.2 -80.9 163.7 24.8 27.2 21.9 118 118 A G S > S- 0 0 26 -2,-0.1 3,-0.5 2,-0.0 2,-0.0 -0.350 102.3 -6.2 87.1-165.9 22.3 27.1 19.1 119 119 A L T 3 S+ 0 0 119 1,-0.2 5,-0.1 2,-0.1 -3,-0.0 -0.297 120.4 13.2 -71.8 149.3 22.7 26.5 15.4 120 120 A H T 3> + 0 0 108 1,-0.1 4,-2.3 3,-0.1 -1,-0.2 0.888 68.8 165.1 54.2 47.5 26.0 26.1 13.5 121 121 A A H <> S+ 0 0 1 -3,-0.5 4,-2.1 1,-0.2 5,-0.1 0.818 72.1 54.9 -62.1 -34.0 28.0 25.7 16.7 122 122 A Q H > S+ 0 0 36 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.939 110.2 45.1 -66.6 -45.2 31.1 24.4 14.8 123 123 A K H > S+ 0 0 68 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.899 110.1 56.2 -64.5 -39.1 31.1 27.5 12.6 124 124 A Q H X S+ 0 0 61 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.920 107.6 48.7 -57.6 -45.1 30.6 29.7 15.6 125 125 A A H X>S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 5,-1.5 0.903 112.3 48.0 -62.0 -43.9 33.7 28.2 17.2 126 126 A V H <5S+ 0 0 35 -4,-2.0 -2,-0.2 2,-0.2 -1,-0.2 0.930 113.9 44.8 -64.2 -47.8 35.8 28.7 14.1 127 127 A E H <5S+ 0 0 145 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.871 114.0 50.4 -66.2 -36.0 34.7 32.3 13.5 128 128 A F H <5S- 0 0 155 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.881 106.5-133.7 -68.1 -37.6 35.2 33.1 17.2 129 129 A G T <5 + 0 0 32 -4,-2.1 -3,-0.2 -5,-0.2 -4,-0.1 0.771 38.5 169.4 90.7 28.0 38.7 31.5 17.1 130 130 A V < - 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