==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 26-AUG-11 3TKJ . COMPND 2 MOLECULE: L-ASPARAGINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR W.Z.LI,S.D.YOGESHA,J.LIU,Y.ZHANG . 594 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21165.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 414 69.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 2.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 131 22.1 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 . 9 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.7 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 2.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 46 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 177 29.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.3 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 0 0 0 2 0 0 4 4 0 0 2 0 2 0 0 0 0 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 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 0 0 3 11 4 2 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 2 0 0 0 0 2 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 G 0 0 92 0, 0.0 261,-0.0 0, 0.0 167,-0.0 0.000 360.0 360.0 360.0 153.2 12.0 47.9 21.9 2 2 A N - 0 0 106 163,-0.1 2,-0.0 166,-0.0 162,-0.0 -0.802 360.0-139.2 -92.4 109.9 10.9 47.5 25.5 3 3 A P - 0 0 19 0, 0.0 277,-0.5 0, 0.0 2,-0.3 -0.330 19.9-170.1 -70.4 150.1 13.7 45.9 27.6 4 4 A I E -AB 164 279A 0 160,-1.9 160,-2.2 275,-0.1 2,-0.4 -0.997 10.5-167.1-137.3 142.6 12.9 43.3 30.2 5 5 A V E -AB 163 278A 0 273,-1.9 273,-2.7 -2,-0.3 2,-0.4 -0.990 4.5-172.7-129.3 136.2 14.9 41.6 33.0 6 6 A V E -AB 162 277A 0 156,-2.6 156,-2.5 -2,-0.4 2,-0.3 -0.989 7.6-174.6-125.3 136.4 13.8 38.5 34.9 7 7 A V E -AB 161 276A 0 269,-2.9 269,-1.9 -2,-0.4 2,-0.3 -0.914 1.8-168.8-126.7 156.2 15.8 37.2 37.9 8 8 A H E -AB 160 275A 0 152,-2.2 152,-1.9 -2,-0.3 267,-0.3 -0.990 10.8-155.9-144.7 154.6 15.4 34.0 40.1 9 9 A G - 0 0 0 265,-2.7 149,-0.1 -2,-0.3 2,-0.1 -0.151 59.0 -37.1-101.9-159.2 16.7 32.6 43.3 10 10 A G - 0 0 18 147,-0.2 2,-1.1 -2,-0.1 -1,-0.3 -0.352 46.0-133.5 -70.6 145.3 16.9 28.9 44.2 11 11 A G + 0 0 1 262,-0.2 262,-0.2 147,-0.1 2,-0.1 -0.723 66.2 114.7 -98.1 76.3 14.2 26.4 43.1 12 12 A A - 0 0 29 -2,-1.1 260,-2.5 260,-0.4 259,-0.2 -0.429 63.5 -53.0-129.1-163.6 13.8 24.7 46.5 13 13 A G S S- 0 0 34 258,-0.2 -1,-0.3 1,-0.2 259,-0.1 0.242 78.2 -45.0 -69.3-169.4 11.4 24.1 49.5 14 14 A P - 0 0 106 0, 0.0 2,-0.4 0, 0.0 -1,-0.2 -0.334 56.5-131.2 -66.6 147.1 9.5 26.6 51.7 15 15 A I - 0 0 43 -3,-0.1 5,-0.1 1,-0.1 272,-0.0 -0.820 26.5-101.2-102.0 138.5 11.3 29.7 53.0 16 16 A S > - 0 0 82 -2,-0.4 4,-1.7 1,-0.1 3,-0.3 -0.236 34.6-111.9 -54.1 139.5 11.2 30.9 56.7 17 17 A K T 4 S+ 0 0 168 1,-0.2 4,-0.3 2,-0.2 -1,-0.1 0.806 116.4 36.6 -42.6 -48.4 8.8 33.8 57.5 18 18 A D T >> S+ 0 0 115 1,-0.2 4,-0.8 2,-0.2 3,-0.7 0.759 110.8 60.0 -84.2 -25.9 11.6 36.3 58.3 19 19 A R H 3> S+ 0 0 64 -3,-0.3 4,-2.2 1,-0.2 -2,-0.2 0.785 92.0 71.3 -70.1 -28.1 14.1 35.1 55.5 20 20 A K H 3X S+ 0 0 54 -4,-1.7 4,-2.4 1,-0.2 -1,-0.2 0.783 95.8 50.7 -57.0 -36.1 11.4 35.9 52.9 21 21 A E H <> S+ 0 0 103 -3,-0.7 4,-2.4 -4,-0.3 -1,-0.2 0.872 111.0 47.0 -73.7 -39.4 11.9 39.7 53.4 22 22 A R H X S+ 0 0 102 -4,-0.8 4,-1.8 2,-0.2 -2,-0.2 0.866 115.1 48.1 -66.4 -37.5 15.8 39.4 53.0 23 23 A V H X S+ 0 0 7 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.933 110.5 51.4 -64.4 -49.3 15.1 37.2 49.9 24 24 A H H X S+ 0 0 52 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.907 110.9 47.5 -55.3 -48.3 12.5 39.9 48.6 25 25 A Q H X S+ 0 0 94 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.866 111.7 51.5 -62.1 -40.2 15.1 42.7 49.0 26 26 A G H X S+ 0 0 1 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.884 111.3 45.9 -63.7 -44.6 17.8 40.6 47.2 27 27 A M H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.893 113.3 49.8 -67.1 -42.4 15.5 39.9 44.2 28 28 A V H X S+ 0 0 41 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.940 112.3 48.7 -60.5 -48.7 14.4 43.6 44.1 29 29 A R H X S+ 0 0 124 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.915 112.1 47.6 -58.9 -47.9 18.1 44.6 44.1 30 30 A A H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.917 116.0 43.9 -61.1 -46.0 19.2 42.1 41.4 31 31 A A H X S+ 0 0 0 -4,-2.3 4,-2.9 2,-0.2 -1,-0.2 0.825 111.4 55.2 -68.3 -33.9 16.2 43.2 39.1 32 32 A T H X S+ 0 0 60 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.903 111.2 43.9 -65.0 -44.8 16.9 46.9 39.9 33 33 A V H X S+ 0 0 56 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.964 116.7 46.9 -63.4 -53.6 20.6 46.6 38.7 34 34 A G H X S+ 0 0 0 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.919 116.6 42.8 -53.0 -52.6 19.5 44.5 35.6 35 35 A Y H X S+ 0 0 10 -4,-2.9 4,-2.8 1,-0.2 -1,-0.2 0.843 110.9 55.9 -63.9 -39.5 16.7 46.9 34.6 36 36 A G H X S+ 0 0 41 -4,-2.2 4,-1.0 2,-0.2 -1,-0.2 0.856 107.7 49.1 -63.0 -38.0 18.9 50.0 35.3 37 37 A I H <>S+ 0 0 34 -4,-2.1 5,-2.6 2,-0.2 3,-0.5 0.932 113.9 46.7 -66.0 -45.4 21.5 48.7 32.9 38 38 A L H ><5S+ 0 0 2 -4,-1.9 3,-1.7 1,-0.2 128,-0.3 0.912 108.5 55.4 -62.7 -43.7 18.8 48.1 30.3 39 39 A R H 3<5S+ 0 0 134 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.699 104.7 52.0 -68.7 -21.4 17.2 51.5 30.8 40 40 A E T 3<5S- 0 0 155 -4,-1.0 -1,-0.3 -3,-0.5 -2,-0.2 0.447 129.3 -96.2 -92.9 3.2 20.4 53.4 30.1 41 41 A G T < 5S+ 0 0 37 -3,-1.7 -3,-0.2 -4,-0.2 -2,-0.2 0.578 73.0 153.6 94.3 14.8 20.8 51.4 26.8 42 42 A G < - 0 0 12 -5,-2.6 124,-0.4 -6,-0.2 -1,-0.2 -0.230 47.2 -93.0 -69.6 162.2 23.1 48.7 28.2 43 43 A S > - 0 0 39 122,-0.1 4,-1.9 1,-0.1 -1,-0.1 -0.323 24.2-117.4 -75.5 162.0 23.3 45.2 26.6 44 44 A A H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.835 116.8 55.3 -60.8 -38.8 21.3 42.1 27.7 45 45 A V H > S+ 0 0 5 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.897 109.2 45.3 -65.1 -45.9 24.7 40.4 28.6 46 46 A D H > S+ 0 0 64 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.881 112.9 52.9 -65.1 -37.9 25.7 43.3 31.0 47 47 A A H X S+ 0 0 0 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.902 112.0 42.2 -63.3 -48.1 22.2 43.3 32.5 48 48 A V H X S+ 0 0 0 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.872 116.7 49.6 -70.4 -36.6 22.1 39.6 33.4 49 49 A E H X S+ 0 0 27 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.909 111.4 48.6 -65.6 -44.9 25.7 39.8 34.6 50 50 A G H X S+ 0 0 16 -4,-2.6 4,-1.5 2,-0.2 -2,-0.2 0.880 112.4 48.5 -60.9 -43.8 24.9 42.8 36.8 51 51 A A H X S+ 0 0 0 -4,-2.1 4,-1.2 2,-0.2 -1,-0.2 0.877 114.1 45.6 -63.4 -42.2 21.9 41.1 38.3 52 52 A V H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.856 106.6 57.9 -76.9 -32.0 23.8 37.9 39.0 53 53 A V H X S+ 0 0 30 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.905 106.2 52.3 -60.4 -41.2 26.8 39.8 40.6 54 54 A A H X S+ 0 0 19 -4,-1.5 4,-1.1 1,-0.2 -1,-0.2 0.896 111.7 44.6 -58.9 -45.0 24.3 41.3 43.0 55 55 A L H < S+ 0 0 0 -4,-1.2 6,-0.4 2,-0.2 8,-0.2 0.809 112.0 53.0 -73.4 -31.7 23.0 37.8 44.0 56 56 A E H < S+ 0 0 0 -4,-2.4 9,-1.2 1,-0.2 7,-0.2 0.918 111.8 44.8 -66.8 -45.1 26.6 36.4 44.2 57 57 A D H < S+ 0 0 85 -4,-2.5 -2,-0.2 7,-0.2 -1,-0.2 0.720 97.0 88.7 -71.1 -23.1 27.6 39.2 46.7 58 58 A D >< - 0 0 26 -4,-1.1 3,-1.7 -5,-0.2 5,-0.2 -0.709 69.1-153.0 -80.1 117.2 24.3 38.7 48.6 59 59 A P T 3 S+ 0 0 66 0, 0.0 -1,-0.1 0, 0.0 82,-0.1 0.620 89.6 72.4 -67.5 -11.5 24.9 36.0 51.4 60 60 A E T 3 S+ 0 0 14 -38,-0.1 2,-0.3 2,-0.1 6,-0.1 0.712 91.3 70.7 -71.3 -21.3 21.2 35.2 51.3 61 61 A F S < S- 0 0 8 -3,-1.7 2,-2.0 -6,-0.4 97,-0.1 -0.796 87.4-117.4-110.9 143.4 21.6 33.4 47.8 62 62 A N S S+ 0 0 17 -2,-0.3 115,-0.9 95,-0.3 116,-0.4 -0.496 87.3 79.8 -76.1 72.0 23.4 30.2 46.8 63 63 A A S S- 0 0 0 -2,-2.0 -2,-0.2 113,-0.3 114,-0.1 -0.854 99.5 -19.6-172.9 141.9 26.1 31.8 44.5 64 64 A G S > S+ 0 0 0 -2,-0.2 3,-1.9 112,-0.2 2,-0.3 -0.222 133.3 20.1 51.6-129.4 29.3 33.6 45.4 65 65 A C T 3 S+ 0 0 31 -9,-1.2 -4,-0.4 34,-0.4 -2,-0.3 -0.511 133.4 33.7 -66.7 119.4 29.1 34.6 49.1 66 66 A G T 3 S+ 0 0 0 73,-2.3 -1,-0.3 -2,-0.3 -2,-0.1 0.344 82.3 151.9 109.9 -0.9 26.4 32.3 50.5 67 67 A S < - 0 0 0 -3,-1.9 -1,-0.3 72,-0.3 74,-0.3 -0.316 52.2-105.1 -56.7 139.0 27.2 29.3 48.3 68 68 A V - 0 0 2 110,-0.2 8,-0.4 1,-0.1 2,-0.3 -0.179 40.7-105.7 -62.3 161.3 26.3 26.0 49.9 69 69 A L - 0 0 3 75,-0.3 112,-2.5 6,-0.1 113,-0.5 -0.700 22.8-133.8 -98.7 145.7 29.2 23.9 51.2 70 70 A N > - 0 0 1 4,-2.7 3,-2.3 -2,-0.3 111,-0.2 -0.243 47.9 -79.0 -81.7-180.0 30.7 20.7 49.7 71 71 A T T 3 S+ 0 0 48 111,-2.8 112,-0.1 1,-0.3 -1,-0.0 0.698 133.5 52.0 -55.3 -23.4 31.5 17.5 51.7 72 72 A N T 3 S- 0 0 102 110,-0.3 -1,-0.3 2,-0.1 3,-0.1 0.215 120.8-105.7 -99.7 13.9 34.8 19.3 53.0 73 73 A G S < S+ 0 0 29 -3,-2.3 2,-0.3 1,-0.3 -2,-0.1 0.696 80.3 131.9 70.3 20.7 33.0 22.4 54.2 74 74 A E - 0 0 97 66,-0.0 -4,-2.7 65,-0.0 2,-0.6 -0.726 60.9-120.3-107.0 157.1 34.4 24.3 51.1 75 75 A V + 0 0 7 -2,-0.3 2,-0.4 -6,-0.2 22,-0.3 -0.858 31.8 173.9 -96.0 118.4 32.8 26.7 48.6 76 76 A E - 0 0 4 -2,-0.6 2,-0.3 101,-0.4 20,-0.2 -0.999 17.1-162.7-124.6 118.5 33.1 25.3 44.9 77 77 A M E -C 95 0A 0 18,-3.1 18,-3.1 -2,-0.4 2,-0.3 -0.812 15.8-165.5-116.6 153.8 31.2 27.4 42.4 78 78 A D E + D 0 176A 0 98,-1.8 98,-2.5 -2,-0.3 2,-0.3 -0.945 14.3 167.5-127.6 151.1 29.9 27.1 38.8 79 79 A A E -CD 92 175A 0 13,-2.5 13,-2.8 -2,-0.3 2,-0.3 -0.973 11.2-174.1-162.2 148.5 28.6 29.8 36.4 80 80 A S E -CD 91 174A 0 94,-2.2 94,-2.1 -2,-0.3 2,-0.3 -0.984 1.4-172.5-144.8 152.0 27.7 30.4 32.7 81 81 A I E -CD 90 173A 0 9,-2.6 9,-2.2 -2,-0.3 2,-0.4 -0.992 6.8-171.5-144.7 139.5 26.7 33.4 30.6 82 82 A M E -CD 89 172A 0 90,-2.2 90,-1.6 -2,-0.3 2,-0.5 -0.999 16.4-147.2-141.4 143.4 25.5 33.5 27.0 83 83 A D E > - D 0 171A 26 5,-2.4 4,-1.2 -2,-0.4 5,-0.3 -0.947 11.2-150.8-110.1 118.2 24.8 36.2 24.5 84 84 A G T 4 S+ 0 0 0 86,-3.1 117,-2.7 -2,-0.5 118,-0.3 0.519 84.0 71.2 -68.0 -12.2 21.9 35.4 22.1 85 85 A K T 4 S+ 0 0 131 85,-0.3 -1,-0.2 115,-0.2 117,-0.1 0.971 124.4 2.2 -69.1 -54.3 23.3 37.5 19.1 86 86 A D T 4 S- 0 0 81 -3,-0.3 -2,-0.2 2,-0.1 -1,-0.1 0.265 98.3-114.1-115.9 1.9 26.2 35.3 18.1 87 87 A L < + 0 0 0 -4,-1.2 -3,-0.2 1,-0.2 112,-0.1 0.602 58.1 165.7 66.8 16.5 25.7 32.5 20.7 88 88 A S + 0 0 19 -5,-0.3 -5,-2.4 -6,-0.1 2,-0.3 -0.261 12.2 179.8 -62.1 143.3 29.0 33.5 22.4 89 89 A A E -C 82 0A 4 -7,-0.2 2,-0.3 20,-0.1 -7,-0.2 -0.990 27.2-162.0-151.6 157.6 29.4 32.1 25.8 90 90 A G E +C 81 0A 0 -9,-2.2 -9,-2.6 -2,-0.3 2,-0.3 -0.990 16.7 173.3-142.6 138.7 31.6 31.8 28.9 91 91 A A E -Ce 80 116A 2 24,-1.2 26,-2.2 -2,-0.3 2,-0.3 -0.993 11.3-169.8-149.7 147.7 31.4 29.2 31.7 92 92 A V E -Ce 79 117A 0 -13,-2.8 -13,-2.5 -2,-0.3 2,-0.3 -0.988 6.7-168.5-136.2 144.2 33.4 28.1 34.8 93 93 A S E + e 0 118A 0 24,-1.5 26,-2.4 -2,-0.3 -15,-0.2 -0.984 66.2 9.1-137.1 148.2 33.1 25.1 37.0 94 94 A A E S+ 0 0 1 -2,-0.3 2,-0.3 92,-0.2 -16,-0.2 0.843 81.3 166.6 53.3 44.0 34.5 24.1 40.5 95 95 A V E -C 77 0A 4 -18,-3.1 -18,-3.1 -3,-0.1 2,-0.3 -0.648 11.5-174.6 -89.4 144.7 35.9 27.6 41.0 96 96 A Q + 0 0 54 -2,-0.3 -20,-0.1 -20,-0.2 3,-0.1 -0.924 51.1 21.8-134.6 159.8 37.1 28.7 44.5 97 97 A C S S+ 0 0 32 -2,-0.3 37,-2.2 -22,-0.3 2,-0.3 0.731 89.1 108.0 55.4 35.8 38.4 31.8 46.4 98 98 A I - 0 0 9 35,-0.2 -1,-0.2 1,-0.1 35,-0.1 -0.973 63.9-140.8-133.8 145.3 37.0 34.4 44.0 99 99 A A S S+ 0 0 35 33,-0.4 -34,-0.4 -2,-0.3 -1,-0.1 0.858 89.3 36.9 -74.6 -37.5 34.0 36.6 44.8 100 100 A N >> + 0 0 25 1,-0.2 4,-1.3 -36,-0.1 3,-1.2 -0.669 51.0 175.0-129.2 89.5 32.3 36.6 41.4 101 101 A P H 3> S+ 0 0 0 0, 0.0 4,-2.4 0, 0.0 3,-0.2 0.828 85.2 59.4 -53.5 -37.2 32.2 33.4 39.3 102 102 A I H 3> S+ 0 0 0 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.803 103.2 51.7 -65.3 -30.4 29.9 35.1 36.6 103 103 A K H <> S+ 0 0 107 -3,-1.2 4,-1.9 2,-0.2 -1,-0.2 0.864 110.5 48.7 -73.2 -32.4 32.5 37.8 36.0 104 104 A L H X S+ 0 0 3 -4,-1.3 4,-1.7 2,-0.2 -2,-0.2 0.893 109.5 52.0 -71.7 -38.4 35.1 35.0 35.5 105 105 A A H X S+ 0 0 0 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.897 109.3 50.8 -61.0 -40.4 32.6 33.3 33.1 106 106 A R H X S+ 0 0 46 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.885 108.9 50.7 -64.5 -41.3 32.4 36.7 31.2 107 107 A L H X S+ 0 0 43 -4,-1.9 4,-2.5 2,-0.2 -1,-0.2 0.804 107.1 54.1 -66.2 -31.8 36.2 36.9 31.0 108 108 A V H X S+ 0 0 0 -4,-1.7 4,-1.1 2,-0.2 6,-0.4 0.933 112.2 45.5 -64.6 -45.4 36.3 33.3 29.6 109 109 A M H < S+ 0 0 23 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.906 123.5 32.6 -60.3 -49.3 33.9 34.5 26.9 110 110 A E H < S+ 0 0 94 -4,-2.2 -2,-0.2 1,-0.1 -1,-0.2 0.735 125.9 35.3 -84.9 -31.5 35.7 37.8 26.0 111 111 A K H < S+ 0 0 131 -4,-2.5 -3,-0.2 -5,-0.2 -2,-0.1 0.384 109.5 54.1-111.5 1.2 39.4 36.9 26.6 112 112 A T S < S- 0 0 18 -4,-1.1 0, 0.0 2,-0.3 0, 0.0 -0.931 73.2-126.6-130.4 161.6 39.9 33.3 25.5 113 113 A P S S+ 0 0 102 0, 0.0 2,-0.2 0, 0.0 399,-0.1 0.310 93.2 76.1 -83.5 11.4 39.1 31.3 22.3 114 114 A H - 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