==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-APR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 14-SEP-12 4BAI . COMPND 2 MOLECULE: CHORISMATE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR P.J.B.PEREIRA,A.ROYANT,S.PANJIKAR,D.DE SANCTIS . 377 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18710.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 248 65.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 60 15.9 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 . 2 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 . 13 3.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 45 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 113 30.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 3 1 1 1 1 0 1 1 0 0 0 0 1 1 0 1 0 0 0 0 1 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 1 3 0 2 2 1 1 1 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 . 3 1 2 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 X 0 0 134 0, 0.0 21,-0.1 0, 0.0 350,-0.1 0.000 360.0 360.0 360.0 111.2 56.2 4.2 0.8 2 2 A L + 0 0 2 19,-0.2 2,-0.3 349,-0.2 19,-0.2 -0.280 360.0 176.0 -62.4 132.1 57.1 7.1 3.0 3 3 A R E -A 20 0A 115 17,-2.4 17,-2.5 2,-0.0 2,-0.4 -0.984 8.9-164.6-131.4 150.2 60.7 8.2 3.1 4 4 A W E -A 19 0A 54 -2,-0.3 2,-0.4 15,-0.2 15,-0.2 -0.997 5.0-176.4-135.0 142.4 62.2 11.2 5.0 5 5 A I E -A 18 0A 74 13,-2.3 13,-2.7 -2,-0.4 2,-0.3 -0.993 8.0-158.8-134.2 138.9 65.6 12.9 4.6 6 6 A T E +A 17 0A 22 -2,-0.4 2,-0.3 11,-0.2 11,-0.2 -0.906 12.4 178.6-114.0 152.8 67.2 15.8 6.5 7 7 A A E +A 16 0A 47 9,-2.2 9,-2.9 -2,-0.3 2,-0.1 -0.987 26.3 84.8-148.0 149.7 70.0 18.0 5.3 8 8 A G - 0 0 14 -2,-0.3 2,-0.3 7,-0.2 7,-0.2 -0.315 56.7-112.2 134.3 143.0 71.9 20.9 6.8 9 9 A E > - 0 0 77 5,-0.4 3,-1.7 -2,-0.1 116,-0.2 -0.789 36.4-113.5 -96.8 152.5 74.7 21.9 9.0 10 10 A S T 3 S+ 0 0 22 114,-2.3 -1,-0.1 -2,-0.3 115,-0.1 0.862 118.2 28.7 -50.3 -44.5 74.0 23.6 12.3 11 11 A H T 3 S+ 0 0 38 64,-0.1 -1,-0.3 3,-0.0 68,-0.2 0.054 99.6 112.6-107.2 21.7 75.6 26.9 11.2 12 12 A G S < S- 0 0 7 -3,-1.7 59,-0.1 112,-0.2 3,-0.1 -0.183 87.6 -90.7 -80.0-174.7 74.9 26.4 7.5 13 13 A R S S- 0 0 162 66,-0.2 56,-2.3 1,-0.2 2,-0.3 0.912 94.9 -22.4 -68.2 -41.4 72.5 28.7 5.7 14 14 A A E - B 0 68A 19 54,-0.2 -5,-0.4 58,-0.1 2,-0.3 -0.970 57.6-112.8-159.7 166.5 69.4 26.5 6.3 15 15 A L E - B 0 67A 4 52,-3.1 52,-2.9 -2,-0.3 2,-0.4 -0.812 27.2-156.3-103.4 153.0 68.1 23.1 7.1 16 16 A V E -AB 7 66A 45 -9,-2.9 -9,-2.2 -2,-0.3 2,-0.4 -0.999 8.2-170.1-129.9 133.3 66.1 21.0 4.6 17 17 A A E -AB 6 65A 1 48,-2.6 48,-3.0 -2,-0.4 2,-0.5 -0.988 7.8-167.6-114.8 132.2 63.6 18.3 5.3 18 18 A V E -AB 5 64A 40 -13,-2.7 -13,-2.3 -2,-0.4 2,-0.5 -0.983 3.8-170.5-119.2 129.2 62.3 16.2 2.3 19 19 A V E -AB 4 63A 1 44,-2.6 44,-3.0 -2,-0.5 2,-0.4 -0.974 9.1-173.7-116.8 123.3 59.4 13.9 2.6 20 20 A E E +A 3 0A 83 -17,-2.5 -17,-2.4 -2,-0.5 41,-0.1 -0.887 59.8 29.8-117.6 145.4 58.6 11.5 -0.3 21 21 A G S S+ 0 0 31 -2,-0.4 2,-0.4 39,-0.4 -19,-0.2 0.509 72.7 145.7 90.4 4.5 55.7 9.2 -0.9 22 22 A X - 0 0 2 39,-0.3 -1,-0.3 -3,-0.2 38,-0.1 -0.640 52.2-113.1 -79.4 131.1 53.1 11.1 1.1 23 23 A V > - 0 0 5 -2,-0.4 3,-0.6 1,-0.1 37,-0.4 -0.137 32.7-102.9 -58.4 153.8 49.6 10.8 -0.5 24 24 A A B 3 S+d 361 0B 26 336,-2.6 338,-2.9 35,-0.3 35,-0.2 -0.376 96.4 43.9 -71.0 157.0 47.9 13.9 -2.0 25 25 A G T 3 + 0 0 25 33,-2.5 2,-0.5 1,-0.3 -1,-0.2 0.557 68.0 139.4 86.0 10.2 45.2 15.7 -0.2 26 26 A V < - 0 0 0 -3,-0.6 32,-2.5 32,-0.1 2,-0.7 -0.761 51.2-130.4 -85.3 128.5 46.6 15.9 3.3 27 27 A H B +E 57 0C 121 -2,-0.5 2,-0.3 30,-0.2 30,-0.2 -0.711 48.7 137.2 -84.4 116.5 46.0 19.3 4.9 28 28 A V - 0 0 0 28,-1.6 2,-0.2 -2,-0.7 112,-0.1 -0.956 26.3-168.2-158.0 143.8 49.1 20.8 6.4 29 29 A T > - 0 0 55 -2,-0.3 4,-1.8 1,-0.1 5,-0.2 -0.747 40.9 -99.7-129.9 169.5 50.6 24.4 6.3 30 30 A S H > S+ 0 0 58 -2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.878 122.7 56.5 -53.7 -40.5 53.7 26.4 7.1 31 31 A A H > S+ 0 0 54 2,-0.2 4,-3.1 1,-0.2 -1,-0.2 0.893 102.8 52.8 -63.4 -42.6 52.0 27.4 10.3 32 32 A D H > S+ 0 0 60 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.924 111.1 47.6 -55.8 -46.1 51.6 23.8 11.4 33 33 A I H X S+ 0 0 0 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.917 112.7 47.9 -63.2 -44.2 55.2 23.2 10.8 34 34 A A H X S+ 0 0 41 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.912 109.2 54.2 -63.6 -42.6 56.1 26.4 12.7 35 35 A D H X S+ 0 0 96 -4,-3.1 4,-2.1 1,-0.2 -2,-0.2 0.930 111.9 44.1 -55.2 -47.5 53.8 25.3 15.6 36 36 A Q H X S+ 0 0 29 -4,-2.3 4,-1.4 2,-0.2 -1,-0.2 0.861 111.0 53.2 -70.7 -34.3 55.6 22.0 15.9 37 37 A L H X S+ 0 0 13 -4,-2.5 4,-0.6 2,-0.2 -1,-0.2 0.890 107.8 53.3 -64.7 -36.5 59.0 23.6 15.6 38 38 A A H >< S+ 0 0 38 -4,-2.7 3,-1.6 1,-0.2 4,-0.3 0.936 103.9 54.8 -62.1 -44.5 57.9 25.9 18.5 39 39 A R H >< S+ 0 0 24 -4,-2.1 3,-1.5 1,-0.3 -1,-0.2 0.856 100.7 60.7 -57.2 -31.9 57.0 22.8 20.6 40 40 A R H 3< S+ 0 0 40 -4,-1.4 -1,-0.3 1,-0.3 -2,-0.2 0.754 99.2 57.2 -67.9 -21.3 60.6 21.6 20.0 41 41 A R T << S+ 0 0 183 -3,-1.6 -1,-0.3 -4,-0.6 -2,-0.2 0.464 84.7 109.2 -90.2 -1.1 61.9 24.7 21.8 42 42 A L < + 0 0 57 -3,-1.5 294,-0.1 -4,-0.3 297,-0.1 -0.303 43.2 86.9 -67.7 157.6 59.9 24.0 25.0 43 43 A G 0 0 40 137,-0.2 141,-0.2 292,-0.1 137,-0.0 -0.081 360.0 360.0 124.2 142.1 61.7 22.9 28.1 44 44 A Y 0 0 106 139,-2.5 -1,-0.1 -2,-0.1 140,-0.1 0.804 360.0 360.0 -40.2 360.0 63.4 24.2 31.3 45 ! 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 46 56 A A 0 0 101 0, 0.0 22,-2.5 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 104.2 61.7 30.9 9.3 47 57 A V E -C 67 0A 33 20,-0.2 2,-0.4 -17,-0.1 20,-0.2 -0.807 360.0-178.1 -94.4 129.0 59.9 28.0 7.6 48 58 A T E -C 66 0A 67 18,-2.6 18,-3.3 -2,-0.5 2,-0.7 -0.979 18.3-149.3-126.1 121.1 59.5 27.9 3.9 49 59 A V E +C 65 0A 35 -2,-0.4 16,-0.2 16,-0.2 3,-0.1 -0.785 19.5 178.2 -83.0 114.9 57.6 25.2 2.1 50 60 A L E - 0 0 101 14,-2.6 2,-0.3 -2,-0.7 15,-0.2 0.733 55.6 -3.6 -92.4 -26.0 59.4 24.8 -1.3 51 61 A S E S+C 64 0A 45 13,-1.2 13,-0.7 10,-0.1 -1,-0.2 -0.989 102.6 43.4-160.4 159.9 57.5 22.0 -2.9 52 62 A G S S+ 0 0 10 -2,-0.3 7,-3.5 11,-0.2 8,-0.6 0.338 89.4 86.5 85.7 -8.0 54.8 19.3 -2.6 53 63 A I E -F 58 0C 30 5,-0.3 2,-0.4 6,-0.1 5,-0.2 -0.992 49.4-176.8-130.7 131.3 52.1 21.4 -1.0 54 64 A R E > S-F 57 0C 158 3,-2.7 3,-1.4 -2,-0.4 -3,-0.0 -0.983 72.5 -16.9-130.4 122.4 49.6 23.6 -2.7 55 65 A H T 3 S- 0 0 167 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.891 129.0 -51.1 53.1 42.2 47.1 25.8 -0.9 56 66 A G T 3 S+ 0 0 23 1,-0.2 -28,-1.6 -29,-0.1 2,-0.4 0.612 120.2 104.1 75.2 13.3 47.6 23.9 2.3 57 67 A S E < S-EF 27 54C 32 -3,-1.4 -3,-2.7 -30,-0.2 -30,-0.2 -0.990 75.1-111.9-131.6 127.3 47.1 20.5 0.7 58 68 A T E - F 0 53C 4 -32,-2.5 -33,-2.5 -2,-0.4 -5,-0.3 -0.212 16.7-151.4 -56.9 144.1 49.9 17.9 -0.2 59 69 A L - 0 0 101 -7,-3.5 -35,-0.3 -35,-0.2 -6,-0.1 0.655 38.0-112.0 -94.1 -18.6 50.4 17.4 -4.0 60 70 A G S S+ 0 0 33 -8,-0.6 -39,-0.4 1,-0.5 -36,-0.1 0.112 87.4 96.4 106.3 -21.4 51.6 13.8 -3.8 61 71 A G S S- 0 0 28 1,-0.2 -1,-0.5 -9,-0.1 -39,-0.3 -0.180 92.2 -51.1 -86.4-174.2 55.1 14.6 -4.9 62 72 A P - 0 0 63 0, 0.0 2,-0.7 0, 0.0 -42,-0.2 -0.366 51.7-143.5 -61.5 133.5 58.2 15.2 -2.7 63 73 A I E -B 19 0A 0 -44,-3.0 -44,-2.6 -11,-0.1 2,-0.5 -0.901 16.2-169.2-102.5 113.8 57.6 17.8 0.0 64 74 A A E -BC 18 51A 16 -13,-0.7 -14,-2.6 -2,-0.7 -13,-1.2 -0.925 2.6-172.9-108.8 128.1 60.7 20.0 0.7 65 75 A I E -BC 17 49A 0 -48,-3.0 -48,-2.6 -2,-0.5 2,-0.4 -0.976 7.1-157.0-124.1 123.6 60.7 22.2 3.7 66 76 A E E -BC 16 48A 59 -18,-3.3 -18,-2.6 -2,-0.5 2,-0.5 -0.836 3.8-165.8-103.0 136.0 63.4 24.7 4.4 67 77 A I E -BC 15 47A 6 -52,-2.9 -52,-3.1 -2,-0.4 -20,-0.2 -0.973 20.6-137.1-120.0 116.3 64.2 26.0 7.9 68 78 A G E -B 14 0A 23 -22,-2.5 2,-0.6 -2,-0.5 -54,-0.2 -0.339 6.9-130.9 -73.6 149.4 66.4 29.2 7.8 69 79 A N > - 0 0 23 -56,-2.3 3,-1.1 1,-0.1 -1,-0.1 -0.919 11.0-159.8 -96.9 121.5 69.3 29.7 10.2 70 80 A T T 3 S+ 0 0 118 -2,-0.6 -1,-0.1 1,-0.2 -57,-0.0 0.776 89.5 57.9 -71.7 -26.2 69.1 33.1 11.8 71 81 A E T >> S+ 0 0 79 1,-0.2 3,-1.5 2,-0.1 4,-0.8 0.399 72.4 112.9 -83.3 2.7 72.8 33.1 12.7 72 82 A W H X> + 0 0 34 -3,-1.1 3,-1.5 1,-0.3 4,-1.4 0.820 65.1 62.1 -47.9 -45.4 73.9 32.7 9.1 73 83 A P H 34 S+ 0 0 90 0, 0.0 3,-0.3 0, 0.0 -1,-0.3 0.859 104.3 50.7 -53.1 -34.8 75.5 36.1 8.6 74 84 A K H <4 S+ 0 0 116 -3,-1.5 4,-0.3 1,-0.2 3,-0.2 0.767 119.6 35.9 -69.3 -24.1 78.0 35.2 11.3 75 85 A W H 4 S+ 0 0 53 -3,-0.2 3,-1.0 -4,-0.2 -1,-0.2 0.787 120.5 44.6-104.1 -48.9 82.5 32.7 5.5 78 88 A V T 34 S+ 0 0 19 -4,-0.3 -2,-0.2 1,-0.2 -3,-0.1 0.894 128.3 31.7 -61.3 -41.2 83.5 29.9 7.9 79 89 A X T 3< S+ 0 0 38 -4,-3.6 -1,-0.2 -68,-0.2 -66,-0.2 0.028 88.5 146.8-106.4 26.4 80.6 27.8 6.6 80 90 A A < - 0 0 34 -3,-1.0 -3,-0.1 1,-0.1 4,-0.1 -0.384 45.9-143.7 -59.1 135.7 80.7 29.1 3.0 81 91 A A S S+ 0 0 100 -5,-0.1 -1,-0.1 -2,-0.1 3,-0.1 0.900 82.0 56.4 -66.3 -42.3 79.8 26.5 0.4 82 92 A D S S- 0 0 129 1,-0.2 -2,-0.1 -3,-0.0 0, 0.0 -0.439 104.0 -76.0 -93.1 163.6 82.3 27.8 -2.1 83 93 A P - 0 0 131 0, 0.0 2,-0.4 0, 0.0 -1,-0.2 -0.163 43.4-161.3 -58.5 151.7 86.1 28.3 -1.7 84 94 A V - 0 0 40 -4,-0.1 5,-0.1 -3,-0.1 -7,-0.0 -0.996 37.2 -87.1-134.8 136.8 87.3 31.3 0.3 85 95 A D >> - 0 0 89 -2,-0.4 4,-1.7 1,-0.2 3,-0.5 -0.210 35.4-141.8 -45.9 119.2 90.9 32.7 0.1 86 96 A P H 3> S+ 0 0 102 0, 0.0 4,-1.0 0, 0.0 -1,-0.2 0.680 99.1 54.9 -63.8 -18.8 92.9 30.7 2.7 87 97 A A H 3> S+ 0 0 61 2,-0.2 4,-0.5 1,-0.2 -2,-0.1 0.839 108.5 47.1 -81.6 -35.8 94.8 33.8 3.8 88 98 A E H <4 S+ 0 0 97 -3,-0.5 3,-0.3 1,-0.2 -1,-0.2 0.811 112.9 51.1 -71.0 -29.8 91.6 35.7 4.6 89 99 A L H >< S+ 0 0 37 -4,-1.7 3,-1.4 1,-0.2 6,-0.2 0.772 99.8 61.7 -81.4 -29.3 90.3 32.6 6.4 90 100 A A H 3< S+ 0 0 83 -4,-1.0 -1,-0.2 1,-0.3 -2,-0.2 0.689 100.2 56.7 -73.3 -16.6 93.4 32.2 8.6 91 101 A D T 3< S+ 0 0 147 -4,-0.5 2,-0.8 -3,-0.3 -1,-0.3 0.437 86.0 97.9 -87.5 -0.8 92.7 35.6 10.0 92 102 A V X - 0 0 48 -3,-1.4 3,-1.4 1,-0.2 4,-0.1 -0.801 58.1-162.8 -97.4 112.0 89.2 34.5 11.1 93 103 A A G > S+ 0 0 91 -2,-0.8 3,-1.9 1,-0.3 -1,-0.2 0.898 89.6 61.5 -57.2 -41.6 89.1 33.5 14.8 94 104 A R G 3 S+ 0 0 105 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.0 0.716 97.1 59.8 -57.4 -24.8 85.8 31.7 14.3 95 105 A N G < S+ 0 0 56 -3,-1.4 -1,-0.3 -6,-0.2 -2,-0.2 0.257 77.6 138.4 -90.5 9.9 87.5 29.3 11.8 96 106 A A < - 0 0 51 -3,-1.9 2,-0.1 1,-0.1 -3,-0.0 -0.114 63.7 -89.7 -56.5 152.6 90.0 28.1 14.3 97 107 A P - 0 0 99 0, 0.0 2,-0.7 0, 0.0 -1,-0.1 -0.431 28.9-149.5 -69.3 136.7 90.8 24.3 14.4 98 108 A L + 0 0 41 -2,-0.1 21,-2.9 1,-0.1 22,-0.2 -0.909 36.7 148.9-103.7 103.2 88.6 22.1 16.6 99 109 A T + 0 0 15 -2,-0.7 220,-2.6 19,-0.2 221,-0.4 0.219 43.0 86.2-125.0 12.9 91.0 19.3 17.7 100 110 A R S S- 0 0 109 218,-0.2 228,-0.4 219,-0.1 218,-0.2 -0.782 70.3-147.3-118.0 87.5 89.8 18.3 21.1 101 111 A P - 0 0 5 0, 0.0 216,-0.3 0, 0.0 226,-0.1 -0.259 14.8-124.3 -58.5 131.6 87.0 15.7 20.7 102 112 A R > - 0 0 25 214,-0.1 3,-1.9 226,-0.1 6,-0.3 -0.639 25.4-115.4 -75.8 127.2 84.2 15.8 23.3 103 113 A P T 3 S+ 0 0 56 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.389 103.5 28.0 -55.1 137.2 83.6 12.5 25.1 104 114 A G T 3 S+ 0 0 51 1,-0.3 2,-0.2 205,-0.0 143,-0.1 0.321 107.2 97.7 90.8 -7.8 80.1 11.3 24.3 105 115 A H S < S- 0 0 53 -3,-1.9 4,-0.4 1,-0.1 3,-0.4 -0.653 86.0-109.2-115.1 170.7 80.0 13.0 20.9 106 116 A A S > S+ 0 0 45 -2,-0.2 4,-3.0 1,-0.2 5,-0.3 0.603 90.7 100.1 -67.7 -12.5 80.6 12.2 17.3 107 117 A D H > S+ 0 0 3 -5,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.874 82.7 35.0 -44.5 -64.7 83.8 14.2 17.3 108 118 A Y H > S+ 0 0 124 -3,-0.4 4,-2.1 -6,-0.3 5,-0.2 0.956 123.5 40.4 -64.6 -53.7 86.6 11.6 17.7 109 119 A A H > S+ 0 0 64 -4,-0.4 4,-2.7 1,-0.2 -1,-0.2 0.880 115.6 52.9 -64.8 -37.8 85.1 8.7 15.7 110 120 A G H X S+ 0 0 11 -4,-3.0 4,-2.3 2,-0.2 6,-0.3 0.892 108.7 49.6 -62.4 -41.0 83.8 11.1 13.0 111 121 A X H X>S+ 0 0 3 -4,-2.3 5,-2.2 -5,-0.3 4,-0.8 0.929 115.3 42.9 -64.5 -46.4 87.3 12.7 12.6 112 122 A L H ><5S+ 0 0 98 -4,-2.1 3,-0.6 3,-0.2 -2,-0.2 0.928 114.1 50.9 -64.7 -47.0 89.0 9.3 12.2 113 123 A K H 3<5S+ 0 0 154 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.918 120.4 32.8 -58.4 -47.5 86.3 7.9 10.0 114 124 A Y H 3<5S- 0 0 153 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.404 108.4-115.4 -94.8 3.2 86.3 10.8 7.5 115 125 A G T <<5 + 0 0 62 -4,-0.8 2,-0.3 -3,-0.6 -3,-0.2 0.859 57.5 162.9 63.9 35.8 90.0 11.7 7.7 116 126 A F < - 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