==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 23-JUL-01 1JN9 . COMPND 2 MOLECULE: PUTATIVE L-ASPARAGINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR D.BOREK,M.JASKOLSKI . 584 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20669.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 410 70.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 2.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 124 21.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 8 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 12 2.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 46 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 170 29.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 3.4 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 2 0 2 0 0 0 6 3 1 0 2 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 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 PARALLEL BRIDGES PER LADDER . 2 4 3 1 2 6 4 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 2 0 0 2 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 G 0 0 108 0, 0.0 2,-0.3 0, 0.0 264,-0.1 0.000 360.0 360.0 360.0 170.3 23.9 9.0 41.9 2 3 A K - 0 0 140 262,-0.3 2,-0.4 168,-0.0 168,-0.1 -0.625 360.0-151.6 -82.3 141.5 23.8 11.7 44.6 3 4 A A + 0 0 5 -2,-0.3 280,-2.6 280,-0.2 2,-0.3 -0.941 24.7 161.3-114.6 140.9 20.5 13.5 45.0 4 5 A V E -AB 166 282A 0 162,-1.9 162,-2.5 -2,-0.4 2,-0.4 -0.996 23.1-154.5-159.4 152.5 20.5 17.0 46.4 5 6 A I E -AB 165 281A 0 276,-2.1 276,-1.9 -2,-0.3 2,-0.3 -0.983 6.4-174.1-131.2 143.9 18.3 20.2 46.6 6 7 A A E -AB 164 280A 0 158,-2.7 158,-2.5 -2,-0.4 2,-0.3 -0.980 7.7-178.0-131.7 152.0 19.1 23.9 47.0 7 8 A I E -AB 163 279A 0 272,-2.8 272,-2.0 -2,-0.3 2,-0.3 -0.968 7.2-163.4-142.4 154.5 16.7 26.8 47.5 8 9 A H E -AB 162 278A 0 154,-2.2 154,-2.2 -2,-0.3 270,-0.3 -0.953 17.1-162.2-135.7 161.1 16.9 30.6 47.8 9 10 A G E S- 0 0 7 268,-2.1 57,-0.4 1,-0.4 152,-0.2 -0.036 71.0 -60.1-127.8 23.0 14.6 33.3 49.1 10 11 A G E - 0 0 11 267,-0.5 267,-2.2 55,-0.1 -1,-0.4 0.090 44.6-118.2 110.3 145.1 16.4 36.2 47.4 11 12 A A E + B 0 276A 21 265,-0.2 2,-0.3 246,-0.1 265,-0.3 -0.830 55.3 85.9-111.4 153.2 19.8 37.9 47.4 12 13 A G E S- B 0 275A 18 263,-2.7 2,-2.1 -2,-0.3 263,-1.8 -0.999 79.6 -16.6 158.9-160.8 20.4 41.5 48.4 13 14 A A + 0 0 88 -2,-0.3 2,-0.6 261,-0.2 263,-0.1 -0.414 67.0 154.8 -82.2 61.9 21.2 44.1 51.1 14 15 A I - 0 0 17 -2,-2.1 2,-0.4 277,-0.1 -2,-0.1 -0.792 22.9-175.5 -86.8 124.9 20.2 41.9 54.0 15 16 A S >> - 0 0 32 -2,-0.6 3,-2.2 1,-0.1 4,-1.0 -0.982 40.1-130.8-142.2 147.4 22.0 43.2 57.0 16 17 A R T 34 S+ 0 0 186 -2,-0.4 3,-0.3 1,-0.3 -1,-0.1 0.760 105.9 57.8 -51.2 -31.3 22.6 42.4 60.6 17 18 A A T 34 S+ 0 0 108 1,-0.2 -1,-0.3 -3,-0.0 -3,-0.0 0.611 110.9 39.6 -83.7 -12.1 21.9 46.0 61.7 18 19 A Q T <4 S+ 0 0 177 -3,-2.2 2,-0.3 2,-0.1 -1,-0.2 0.391 104.4 83.0-109.6 -5.7 18.3 46.2 60.2 19 20 A M < - 0 0 33 -4,-1.0 2,-0.3 -3,-0.3 3,-0.0 -0.777 67.5-144.8-102.4 144.6 17.3 42.6 61.2 20 21 A S > - 0 0 51 -2,-0.3 4,-2.1 1,-0.1 5,-0.2 -0.707 26.3-117.4 -95.9 159.9 16.1 41.5 64.6 21 22 A L H > S+ 0 0 106 -2,-0.3 4,-3.0 1,-0.2 5,-0.2 0.923 114.8 54.7 -65.0 -42.8 17.1 38.1 65.8 22 23 A Q H > S+ 0 0 112 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.915 108.2 50.6 -58.7 -41.3 13.5 36.8 65.9 23 24 A Q H > S+ 0 0 95 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.946 110.8 47.4 -61.2 -47.4 13.2 37.8 62.2 24 25 A E H X S+ 0 0 15 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.912 110.2 54.1 -59.0 -42.2 16.3 36.0 61.3 25 26 A L H X S+ 0 0 62 -4,-3.0 4,-3.0 1,-0.2 -1,-0.2 0.920 105.5 52.3 -58.4 -44.3 15.1 33.0 63.3 26 27 A R H X S+ 0 0 94 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.842 111.2 47.8 -60.0 -37.3 11.8 32.9 61.3 27 28 A Y H X S+ 0 0 24 -4,-1.7 4,-2.8 2,-0.2 5,-0.3 0.903 111.5 48.8 -70.0 -44.5 13.8 32.9 58.0 28 29 A I H X S+ 0 0 52 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.928 112.5 50.1 -59.1 -45.4 16.1 30.1 59.2 29 30 A E H X S+ 0 0 99 -4,-3.0 4,-2.5 2,-0.2 -2,-0.2 0.910 113.2 44.2 -60.5 -48.3 13.0 28.1 60.3 30 31 A A H X S+ 0 0 4 -4,-2.1 4,-2.0 2,-0.2 5,-0.2 0.923 115.4 47.0 -65.3 -46.1 11.2 28.5 57.0 31 32 A L H X S+ 0 0 0 -4,-2.8 4,-2.4 1,-0.2 5,-0.3 0.914 113.8 50.1 -62.0 -38.9 14.3 27.8 54.9 32 33 A S H X S+ 0 0 33 -4,-2.6 4,-2.1 -5,-0.3 -2,-0.2 0.946 110.7 47.0 -67.0 -44.7 15.0 24.8 57.0 33 34 A A H X S+ 0 0 49 -4,-2.5 4,-1.6 1,-0.2 -1,-0.2 0.839 115.5 45.6 -65.8 -34.0 11.5 23.3 56.8 34 35 A I H X S+ 0 0 11 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.919 111.4 49.5 -79.5 -44.9 11.3 23.8 53.0 35 36 A V H X S+ 0 0 0 -4,-2.4 4,-2.5 -5,-0.2 -2,-0.2 0.915 112.2 51.6 -59.4 -39.4 14.8 22.4 52.2 36 37 A E H X S+ 0 0 67 -4,-2.1 4,-2.5 -5,-0.3 -1,-0.2 0.889 104.9 53.8 -64.6 -41.2 13.9 19.4 54.4 37 38 A T H X S+ 0 0 54 -4,-1.6 4,-2.1 1,-0.2 -1,-0.2 0.911 111.3 48.5 -56.3 -40.7 10.6 18.8 52.6 38 39 A G H X S+ 0 0 2 -4,-2.0 4,-2.8 1,-0.2 -2,-0.2 0.930 109.3 50.4 -66.8 -48.2 12.7 18.7 49.5 39 40 A Q H X S+ 0 0 6 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.892 111.2 48.9 -53.9 -45.8 15.3 16.3 50.9 40 41 A K H X S+ 0 0 127 -4,-2.5 4,-1.8 2,-0.2 -1,-0.2 0.906 111.2 49.9 -67.0 -39.1 12.7 13.9 52.1 41 42 A M H <>S+ 0 0 41 -4,-2.1 5,-2.6 2,-0.2 3,-0.3 0.950 113.7 45.2 -61.0 -48.6 10.9 14.0 48.7 42 43 A L H ><5S+ 0 0 0 -4,-2.8 3,-1.5 1,-0.3 126,-0.3 0.907 111.6 53.9 -61.1 -41.4 14.2 13.3 46.9 43 44 A E H 3<5S+ 0 0 79 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.825 105.9 51.4 -61.0 -36.7 15.0 10.7 49.4 44 45 A A T 3<5S- 0 0 78 -4,-1.8 -1,-0.3 -3,-0.3 -2,-0.2 0.355 126.2-102.4 -85.9 4.6 11.7 8.9 48.7 45 46 A G T < 5 + 0 0 37 -3,-1.5 -3,-0.2 1,-0.2 -2,-0.1 0.691 64.0 159.6 87.3 19.2 12.5 9.0 45.0 46 47 A E < - 0 0 83 -5,-2.6 122,-0.4 -6,-0.2 -1,-0.2 -0.401 47.4 -93.2 -69.7 154.0 10.4 11.9 43.8 47 48 A S > - 0 0 37 1,-0.1 4,-2.4 120,-0.1 5,-0.1 -0.215 23.8-123.0 -65.1 149.1 11.3 13.7 40.5 48 49 A A H > S+ 0 0 0 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.889 115.0 57.7 -59.9 -33.6 13.5 16.7 40.5 49 50 A L H > S+ 0 0 17 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.947 107.6 44.8 -63.0 -45.9 10.7 18.5 38.7 50 51 A D H > S+ 0 0 58 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.893 113.2 53.4 -65.2 -37.7 8.2 17.7 41.5 51 52 A V H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 5,-0.2 0.951 111.7 40.3 -64.5 -52.4 10.8 18.7 44.1 52 53 A V H X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.853 115.5 54.1 -68.1 -29.5 11.6 22.2 42.8 53 54 A T H X S+ 0 0 8 -4,-1.9 4,-2.4 -5,-0.3 -1,-0.2 0.939 113.7 40.8 -68.0 -46.6 8.0 22.8 42.0 54 55 A E H X S+ 0 0 53 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.905 113.1 53.2 -70.6 -40.8 6.9 22.0 45.5 55 56 A A H X S+ 0 0 2 -4,-2.8 4,-1.8 -5,-0.2 -1,-0.2 0.951 114.0 43.8 -58.5 -45.6 9.8 23.8 47.2 56 57 A V H X S+ 0 0 0 -4,-2.2 4,-2.6 -5,-0.2 -2,-0.2 0.900 109.6 55.7 -68.5 -36.4 8.9 26.9 45.2 57 58 A R H X S+ 0 0 64 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.916 109.3 48.2 -59.3 -41.8 5.2 26.5 45.9 58 59 A L H X S+ 0 0 40 -4,-2.5 4,-1.6 2,-0.2 -1,-0.2 0.844 109.3 51.8 -68.1 -33.1 6.1 26.5 49.6 59 60 A L H < S+ 0 0 0 -4,-1.8 6,-0.4 2,-0.2 8,-0.2 0.878 110.6 49.8 -70.2 -37.0 8.3 29.6 49.2 60 61 A E H < S+ 0 0 0 -4,-2.6 9,-1.1 1,-0.2 7,-0.2 0.944 109.3 50.8 -61.7 -48.3 5.3 31.2 47.5 61 62 A E H < S+ 0 0 49 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.867 94.1 86.7 -66.2 -21.0 3.0 30.2 50.4 62 63 A X S >< S- 0 0 108 -4,-1.6 3,-1.7 -5,-0.2 5,-0.2 -0.520 70.1-151.2 -84.6 131.9 5.3 31.6 52.9 63 64 A P T 3 S+ 0 0 62 0, 0.0 -1,-0.2 0, 0.0 4,-0.1 0.679 88.8 71.6 -78.6 -15.7 4.7 35.4 53.5 64 65 A L T 3 S+ 0 0 51 -38,-0.1 2,-0.4 2,-0.1 6,-0.1 0.757 90.8 70.3 -66.6 -24.1 8.3 36.0 54.5 65 66 A F S < S- 0 0 2 -3,-1.7 2,-2.4 -6,-0.4 96,-0.1 -0.802 88.4-117.6-108.2 140.0 9.4 35.6 50.9 66 67 A N S S+ 0 0 19 -2,-0.4 113,-1.4 -57,-0.4 114,-0.4 -0.414 85.8 79.6 -73.3 73.4 8.8 37.9 47.9 67 68 A A S S- 0 0 0 -2,-2.4 -2,-0.2 2,-0.4 112,-0.1 -0.864 97.7 -16.5-171.9 142.8 6.8 35.5 45.8 68 69 A G S > S+ 0 0 0 -2,-0.3 3,-1.7 110,-0.2 2,-0.2 -0.328 130.1 23.6 56.8-131.4 3.2 34.4 46.0 69 70 A I T 3 S+ 0 0 23 -9,-1.1 -2,-0.4 1,-0.3 -4,-0.3 -0.453 131.9 31.8 -64.6 127.9 1.8 35.4 49.4 70 71 A G T 3 S+ 0 0 0 73,-1.9 -1,-0.3 1,-0.2 -2,-0.1 0.530 83.4 163.4 98.4 8.6 4.0 38.3 50.6 71 72 A A < - 0 0 0 -3,-1.7 74,-0.3 72,-0.2 -1,-0.2 -0.246 40.5-111.8 -56.9 146.7 4.7 39.6 47.1 72 73 A V - 0 0 4 8,-0.1 2,-0.3 72,-0.1 8,-0.3 -0.336 33.1-108.1 -73.9 166.8 6.1 43.2 47.0 73 74 A F - 0 0 11 75,-0.3 110,-2.6 6,-0.1 111,-0.5 -0.803 20.1-134.7 -99.6 140.8 4.0 46.0 45.7 74 75 A T B > -i 184 0B 3 4,-2.4 3,-2.4 -2,-0.3 111,-0.2 -0.272 43.6 -91.0 -75.6 174.8 4.5 47.9 42.4 75 76 A R T 3 S+ 0 0 117 109,-2.2 110,-0.1 1,-0.3 -1,-0.1 0.708 130.2 59.7 -64.8 -18.2 4.3 51.7 42.4 76 77 A D T 3 S- 0 0 99 108,-0.4 -1,-0.3 2,-0.1 3,-0.1 0.417 118.7-112.1 -83.0 -2.8 0.6 51.2 41.5 77 78 A E S < S+ 0 0 86 -3,-2.4 2,-0.2 1,-0.3 -2,-0.1 0.758 80.9 119.0 72.3 27.2 0.1 49.3 44.8 78 79 A T - 0 0 55 -4,-0.0 -4,-2.4 2,-0.0 2,-0.5 -0.614 64.5-117.5-112.4 174.2 -0.6 46.1 42.8 79 80 A H - 0 0 7 -6,-0.2 2,-0.5 -2,-0.2 -6,-0.1 -0.980 23.3-175.8-114.1 131.4 1.1 42.8 42.7 80 81 A E - 0 0 30 99,-0.6 2,-0.3 -2,-0.5 20,-0.2 -0.973 14.0-168.1-124.2 113.1 2.8 41.5 39.5 81 82 A L E -C 99 0A 0 18,-2.8 18,-2.6 -2,-0.5 2,-0.3 -0.774 8.8-175.8-109.2 148.6 4.1 38.0 39.7 82 83 A D E + D 0 178A 2 96,-1.9 96,-2.7 -2,-0.3 2,-0.3 -0.955 7.0 167.0-138.6 151.7 6.4 36.0 37.5 83 84 A A E -CD 96 177A 0 13,-2.8 13,-2.1 -2,-0.3 2,-0.3 -0.991 11.6-168.8-161.4 160.4 7.7 32.4 37.5 84 85 A C E -CD 95 176A 0 92,-2.3 92,-2.2 -2,-0.3 2,-0.3 -0.985 1.0-169.6-149.7 155.7 9.5 29.8 35.4 85 86 A V E -CD 94 175A 0 9,-2.2 9,-2.4 -2,-0.3 2,-0.4 -0.984 6.2-167.9-147.0 145.5 10.2 26.1 35.6 86 87 A M E -CD 93 174A 0 88,-2.6 88,-2.0 -2,-0.3 2,-0.7 -0.997 15.1-147.3-144.0 135.9 12.4 23.9 33.5 87 88 A D E >>> -CD 92 173A 26 5,-2.7 4,-2.2 -2,-0.4 5,-0.6 -0.889 5.7-162.5-102.8 109.7 12.9 20.2 33.2 88 89 A G T 345S+ 0 0 2 84,-2.3 115,-2.8 -2,-0.7 116,-0.3 0.619 87.1 61.2 -69.0 -12.8 16.5 19.3 32.4 89 90 A N T 345S+ 0 0 93 83,-0.5 -1,-0.2 113,-0.2 84,-0.1 0.857 123.5 15.6 -82.3 -37.6 15.4 15.8 31.2 90 91 A T T <45S- 0 0 61 -3,-0.5 -2,-0.2 2,-0.2 -1,-0.1 0.496 93.5-129.2-108.5 -9.6 13.2 17.0 28.4 91 92 A L T <5 + 0 0 31 -4,-2.2 2,-0.2 1,-0.2 -3,-0.2 0.694 60.9 145.6 57.2 20.6 14.4 20.6 28.2 92 93 A K E < -C 87 0A 102 -5,-0.6 -5,-2.7 2,-0.0 2,-0.3 -0.582 26.0-176.3 -79.3 152.2 10.7 21.5 28.3 93 94 A A E -C 86 0A 1 -7,-0.2 2,-0.3 -2,-0.2 -7,-0.2 -0.979 17.6-160.7-148.1 157.0 9.9 24.7 30.2 94 95 A G E +C 85 0A 0 -9,-2.4 -9,-2.2 -2,-0.3 2,-0.3 -0.998 14.9 172.1-140.0 143.6 7.0 26.8 31.3 95 96 A A E -Ce 84 120A 1 24,-2.0 26,-2.6 -2,-0.3 2,-0.4 -0.998 14.7-169.6-153.7 143.2 6.8 30.4 32.3 96 97 A V E -Ce 83 121A 2 -13,-2.1 -13,-2.8 -2,-0.3 2,-0.4 -0.985 9.3-171.4-129.4 145.3 4.3 33.2 33.2 97 98 A A E + e 0 122A 0 24,-1.5 26,-2.4 -2,-0.4 -15,-0.2 -0.997 62.9 15.0-135.2 142.8 5.0 36.9 33.7 98 99 A G E S+ 0 0 14 -2,-0.4 2,-0.3 -17,-0.3 -16,-0.2 0.826 76.4 152.6 73.5 35.0 2.8 39.7 35.0 99 100 A V E +C 81 0A 0 -18,-2.6 -18,-2.8 1,-0.1 -1,-0.2 -0.762 19.0 169.6-101.8 145.8 0.1 37.7 36.6 100 101 A S S S+ 0 0 25 -2,-0.3 -1,-0.1 -20,-0.2 -21,-0.1 0.418 70.4 54.6-128.3 -10.6 -2.0 39.0 39.5 101 102 A H S S+ 0 0 33 40,-0.1 37,-2.2 36,-0.0 2,-0.5 0.165 82.9 91.4-119.5 21.2 -4.8 36.6 39.9 102 103 A L - 0 0 0 35,-0.2 35,-0.1 1,-0.2 -34,-0.1 -0.961 62.0-149.3-117.0 126.6 -3.1 33.3 40.3 103 104 A R S S+ 0 0 99 -2,-0.5 -1,-0.2 33,-0.5 -34,-0.1 0.930 88.6 29.8 -57.0 -50.6 -2.2 32.1 43.8 104 105 A N >> - 0 0 16 1,-0.2 4,-1.7 -36,-0.1 3,-1.0 -0.796 60.8-173.5-122.5 92.2 0.9 30.1 42.8 105 106 A P H 3> S+ 0 0 0 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.821 87.5 59.3 -48.7 -39.4 2.8 31.3 39.7 106 107 A V H 3> S+ 0 0 0 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.900 106.1 47.8 -62.3 -39.1 5.1 28.3 39.8 107 108 A L H <> S+ 0 0 59 -3,-1.0 4,-1.6 2,-0.2 -1,-0.2 0.865 111.4 51.9 -67.2 -33.3 2.0 26.1 39.4 108 109 A A H X S+ 0 0 2 -4,-1.7 4,-1.9 1,-0.2 -2,-0.2 0.912 108.4 50.6 -69.5 -41.3 0.8 28.3 36.5 109 110 A A H X S+ 0 0 0 -4,-2.9 4,-2.2 1,-0.2 -1,-0.2 0.907 110.0 48.8 -60.8 -43.1 4.2 28.1 34.8 110 111 A R H X S+ 0 0 39 -4,-2.0 4,-2.7 1,-0.2 -1,-0.2 0.842 108.0 56.8 -67.7 -28.4 4.1 24.3 35.1 111 112 A L H X S+ 0 0 13 -4,-1.6 4,-2.5 2,-0.2 -1,-0.2 0.883 105.3 50.8 -66.3 -39.5 0.6 24.4 33.7 112 113 A V H X S+ 0 0 1 -4,-1.9 4,-0.8 2,-0.2 6,-0.5 0.937 113.2 45.0 -64.4 -45.9 1.9 26.3 30.6 113 114 A M H < S+ 0 0 25 -4,-2.2 -2,-0.2 1,-0.2 3,-0.2 0.945 125.1 30.5 -63.1 -47.1 4.6 23.7 30.1 114 115 A E H < S+ 0 0 102 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.625 126.2 37.3 -92.0 -17.6 2.4 20.7 30.6 115 116 A Q H < S+ 0 0 86 -4,-2.5 -1,-0.2 -5,-0.2 -3,-0.2 0.210 115.3 43.4-125.0 15.7 -1.1 21.8 29.4 116 117 A S S < S- 0 0 17 -4,-0.8 13,-0.0 2,-0.2 0, 0.0 -0.943 77.9-120.0-146.3 165.3 -0.2 24.0 26.4 117 118 A P S S+ 0 0 103 0, 0.0 2,-0.2 0, 0.0 391,-0.1 0.168 87.2 89.3 -91.4 18.8 2.1 23.8 23.5 118 119 A H - 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