==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-AUG-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 02-MAR-12 4ALB . COMPND 2 MOLECULE: PHENOLIC ACID DECARBOXYLASE PADC; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR A.FRANK,W.EBORALL,R.HYDE,S.HART,J.P.TURKENBURG,G.GROGAN . 475 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21153.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 352 74.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 1.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 174 36.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 12 2.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 1.3 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 . 42 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 59 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 48 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.1 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 3 0 3 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 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 . 0 0 0 3 9 3 6 3 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 3 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 3 A N 0 0 173 0, 0.0 134,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 70.4 16.9 -9.6 -16.5 2 4 A F > + 0 0 15 2,-0.1 3,-1.9 3,-0.1 19,-0.2 0.845 360.0 78.0 -90.2 -45.0 20.7 -10.3 -17.1 3 5 A I T 3 S+ 0 0 46 1,-0.2 132,-0.2 130,-0.1 19,-0.2 -0.367 93.1 37.2 -55.6 146.3 20.4 -14.0 -16.4 4 6 A G T 3 S+ 0 0 0 17,-2.8 130,-2.7 1,-0.3 -1,-0.2 0.136 86.0 142.7 92.5 -17.4 18.9 -15.7 -19.4 5 7 A S E < -A 133 0A 6 -3,-1.9 16,-3.0 128,-0.3 2,-0.5 -0.272 34.4-163.3 -59.6 140.0 20.8 -13.5 -21.8 6 8 A H E +AB 132 20A 8 126,-1.5 126,-1.9 14,-0.2 2,-0.3 -0.983 18.5 174.4-129.7 112.9 22.1 -14.9 -25.0 7 9 A M E -AB 131 19A 1 12,-2.3 12,-2.0 -2,-0.5 2,-0.4 -0.870 25.0-160.3-126.3 154.7 24.8 -12.9 -26.8 8 10 A I E +AB 130 18A 0 122,-1.1 121,-3.4 -2,-0.3 122,-0.7 -0.995 24.6 168.9-127.9 138.5 27.1 -13.0 -29.7 9 11 A Y E -AB 128 17A 7 8,-2.6 8,-2.1 -2,-0.4 2,-0.5 -0.933 27.9-134.4-147.1 165.5 30.1 -10.8 -29.9 10 12 A T E -AB 127 16A 51 117,-1.7 117,-2.0 -2,-0.3 6,-0.2 -0.983 19.9-137.3-130.4 118.3 33.3 -10.2 -31.8 11 13 A Y E > -A 126 0A 14 4,-2.6 3,-2.4 -2,-0.5 115,-0.3 -0.420 27.9-112.1 -70.7 151.5 36.6 -9.6 -30.2 12 14 A E T 3 S+ 0 0 137 113,-1.9 -1,-0.1 1,-0.3 114,-0.1 0.631 118.3 64.2 -56.7 -20.4 38.9 -6.9 -31.6 13 15 A N T 3 S- 0 0 56 112,-0.3 -1,-0.3 2,-0.1 -2,-0.1 0.274 125.1-101.9 -85.7 8.7 41.3 -9.7 -32.6 14 16 A G S < S+ 0 0 49 -3,-2.4 2,-0.3 1,-0.3 -2,-0.2 0.488 75.9 139.0 88.8 4.5 38.5 -11.0 -35.0 15 17 A W - 0 0 34 -4,-0.1 -4,-2.6 18,-0.1 2,-0.5 -0.616 38.9-152.8 -83.7 143.9 37.3 -13.9 -32.8 16 18 A E E +B 10 0A 27 -2,-0.3 16,-2.9 -6,-0.2 17,-1.3 -0.978 19.6 173.7-121.8 120.6 33.5 -14.5 -32.7 17 19 A A E -BC 9 31A 3 -8,-2.1 -8,-2.6 -2,-0.5 2,-0.4 -0.865 19.0-152.7-128.4 158.4 32.1 -16.1 -29.6 18 20 A E E -BC 8 30A 1 12,-2.6 12,-2.7 -2,-0.3 2,-0.3 -0.999 13.9-175.6-135.9 126.8 28.6 -16.9 -28.3 19 21 A I E -BC 7 29A 1 -12,-2.0 -12,-2.3 -2,-0.4 2,-0.4 -0.936 12.4-160.4-125.1 147.0 27.5 -17.2 -24.6 20 22 A Y E -BC 6 28A 0 8,-2.6 8,-1.7 -2,-0.3 2,-1.3 -0.968 13.4-148.0-125.7 117.1 24.3 -18.1 -22.9 21 23 A I E + C 0 27A 0 -16,-3.0 -17,-2.8 -2,-0.4 6,-0.2 -0.678 28.2 169.9 -80.3 92.9 23.8 -17.1 -19.2 22 24 A K - 0 0 2 -2,-1.3 115,-2.1 4,-0.9 2,-0.2 0.894 59.0 -2.7 -76.6 -43.6 21.7 -20.1 -18.3 23 25 A N S S- 0 0 17 3,-1.8 -19,-0.2 113,-0.2 3,-0.1 -0.625 82.2 -89.9-128.6-174.5 21.6 -19.6 -14.4 24 26 A D S S+ 0 0 112 -2,-0.2 24,-0.5 1,-0.2 3,-0.1 0.533 130.7 23.4 -72.5 -11.4 23.1 -17.4 -11.8 25 27 A H S S+ 0 0 78 22,-0.1 21,-1.9 1,-0.1 2,-0.3 0.215 114.5 68.0-142.9 19.8 26.0 -19.9 -11.8 26 28 A T E - D 0 45A 12 19,-0.3 -3,-1.8 -3,-0.1 -4,-0.9 -1.000 48.3-179.8-147.3 139.0 26.0 -21.7 -15.1 27 29 A I E -CD 21 44A 0 17,-2.0 17,-3.1 -2,-0.3 2,-0.3 -0.928 14.7-154.7-132.6 161.5 26.7 -20.9 -18.8 28 30 A D E -C 20 0A 0 -8,-1.7 -8,-2.6 -2,-0.3 2,-0.3 -0.936 25.0-177.8-119.0 151.9 26.8 -22.6 -22.2 29 31 A Y E -CD 19 41A 16 12,-2.8 12,-2.5 -2,-0.3 2,-0.4 -0.999 20.3-158.6-153.7 160.0 29.0 -21.3 -25.0 30 32 A R E -CD 18 40A 15 -12,-2.7 -12,-2.6 -2,-0.3 2,-0.5 -0.993 11.7-148.4-132.1 137.7 30.1 -21.6 -28.6 31 33 A I E +C 17 0A 23 8,-2.9 7,-2.4 -2,-0.4 -14,-0.2 -0.942 16.3 177.3-107.9 127.8 33.2 -20.4 -30.4 32 34 A H + 0 0 31 -16,-2.9 2,-0.3 -2,-0.5 -15,-0.2 0.697 60.2 6.6-105.5 -25.9 32.6 -19.6 -34.0 33 35 A S S S+ 0 0 34 -17,-1.3 3,-0.4 4,-0.1 -1,-0.2 -0.952 86.2 55.9-148.1 174.2 35.9 -18.3 -35.2 34 36 A G S > S- 0 0 33 -2,-0.3 3,-2.4 1,-0.2 -20,-0.1 -0.365 101.1 -27.9 98.9 179.7 39.5 -17.8 -34.2 35 37 A M T 3 S+ 0 0 53 1,-0.3 -1,-0.2 -2,-0.1 -20,-0.0 0.683 143.7 30.7 -36.0 -30.9 42.3 -20.1 -33.0 36 38 A V T > S+ 0 0 8 -3,-0.4 3,-2.0 3,-0.1 -1,-0.3 0.120 77.9 156.3-133.9 26.0 39.7 -22.4 -31.4 37 39 A A T < + 0 0 41 -3,-2.4 -5,-0.2 1,-0.2 3,-0.1 -0.181 65.0 44.2 -43.6 134.7 36.6 -22.1 -33.7 38 40 A G T 3 S+ 0 0 26 -7,-2.4 -1,-0.2 1,-0.4 2,-0.1 -0.071 81.4 123.4 111.7 -30.5 34.5 -25.2 -33.3 39 41 A R < + 0 0 7 -3,-2.0 -8,-2.9 58,-0.1 -1,-0.4 -0.388 32.7 172.3 -67.5 135.3 34.8 -25.5 -29.5 40 42 A W E -De 30 99A 31 58,-1.9 60,-2.1 -10,-0.2 2,-0.3 -0.990 9.2-169.9-149.7 146.8 31.5 -25.6 -27.5 41 43 A V E -D 29 0A 2 -12,-2.5 -12,-2.8 -2,-0.3 2,-0.3 -0.959 4.1-159.2-140.1 141.1 30.7 -26.2 -23.9 42 44 A R E + 0 0 39 -2,-0.3 -14,-0.2 -14,-0.2 101,-0.0 -0.970 69.0 10.3-130.0 145.9 27.6 -26.8 -21.8 43 45 A D E S+ 0 0 85 -2,-0.3 2,-0.7 1,-0.2 -15,-0.2 0.882 71.8 174.1 60.0 42.9 26.8 -26.4 -18.1 44 46 A Q E -D 27 0A 26 -17,-3.1 -17,-2.0 -3,-0.2 -1,-0.2 -0.739 30.3-129.8 -84.1 116.2 30.1 -24.6 -17.2 45 47 A E E +D 26 0A 141 -2,-0.7 2,-0.3 -19,-0.2 16,-0.3 -0.385 39.0 175.6 -65.7 143.0 29.9 -23.5 -13.6 46 48 A V - 0 0 14 -21,-1.9 2,-0.6 14,-0.1 14,-0.2 -0.962 38.7-115.1-148.5 160.0 30.7 -19.9 -13.2 47 49 A N E -F 59 0A 35 12,-2.9 12,-2.1 -2,-0.3 2,-0.4 -0.925 36.3-176.9 -99.2 117.6 31.0 -16.9 -10.9 48 50 A I E +F 58 0A 31 -2,-0.6 2,-0.3 -24,-0.5 10,-0.2 -0.962 8.6 163.0-116.0 129.6 28.5 -14.2 -12.0 49 51 A V E -F 57 0A 18 8,-1.5 8,-1.7 -2,-0.4 2,-0.5 -0.990 37.3-127.7-144.0 153.4 28.3 -10.9 -10.2 50 52 A K E -F 56 0A 90 -2,-0.3 6,-0.2 6,-0.2 3,-0.1 -0.890 20.5-175.9 -94.4 126.4 26.8 -7.4 -10.8 51 53 A L E - 0 0 3 4,-2.1 2,-0.3 -2,-0.5 5,-0.2 0.741 67.0 -30.9 -93.5 -30.2 29.6 -4.8 -10.3 52 54 A T E > S-F 55 0A 26 3,-1.2 3,-0.7 163,-0.0 -1,-0.4 -0.907 96.0 -44.8-164.0-175.8 27.3 -1.7 -10.7 53 55 A E T 3 S+ 0 0 149 -2,-0.3 3,-0.1 1,-0.2 -3,-0.0 -0.506 129.8 3.5 -62.6 121.5 24.2 -0.7 -12.6 54 56 A G T 3 S+ 0 0 15 -2,-0.3 2,-0.4 1,-0.1 21,-0.3 0.057 110.1 98.6 93.8 -24.7 24.7 -2.1 -16.1 55 57 A V E < +F 52 0A 3 -3,-0.7 -4,-2.1 18,-0.2 -3,-1.2 -0.839 45.0 174.5-108.1 135.7 28.1 -3.9 -15.6 56 58 A Y E -FG 50 72A 47 16,-2.2 16,-1.5 -2,-0.4 2,-0.3 -0.813 17.4-149.0-134.7 169.0 28.5 -7.6 -15.0 57 59 A K E -FG 49 71A 0 -8,-1.7 -8,-1.5 -2,-0.2 2,-0.5 -0.918 8.5-176.5-151.4 113.2 31.3 -10.2 -14.6 58 60 A V E +FG 48 70A 0 12,-2.1 12,-3.7 -2,-0.3 2,-0.3 -0.970 19.5 166.7-112.2 121.1 31.3 -13.9 -15.6 59 61 A S E +FG 47 69A 0 -12,-2.1 -12,-2.9 -2,-0.5 2,-0.3 -0.969 2.9 141.1-137.4 147.4 34.5 -15.7 -14.6 60 62 A W E - G 0 68A 15 8,-2.4 8,-3.1 -2,-0.3 2,-0.4 -0.984 38.5-110.4-169.2 176.0 35.5 -19.4 -14.4 61 63 A T E - G 0 67A 43 -2,-0.3 6,-0.2 -16,-0.3 -16,-0.1 -0.948 27.9-139.4-124.8 150.1 38.1 -22.1 -15.0 62 64 A E > - 0 0 12 4,-2.9 3,-1.3 -2,-0.4 -18,-0.0 -0.615 26.3-115.2-107.1 156.4 38.0 -24.9 -17.5 63 65 A P T 3 S+ 0 0 19 0, 0.0 48,-0.3 0, 0.0 -1,-0.1 0.631 117.8 63.6 -59.5 -14.0 38.9 -28.5 -17.4 64 66 A T T 3 S- 0 0 0 2,-0.1 25,-0.1 46,-0.1 3,-0.1 0.739 120.8-108.4 -80.3 -23.6 41.6 -27.5 -19.9 65 67 A G S < S+ 0 0 0 -3,-1.3 2,-0.2 1,-0.4 43,-0.0 0.313 74.5 139.7 107.5 -3.7 43.3 -25.3 -17.3 66 68 A T - 0 0 2 19,-0.1 -4,-2.9 20,-0.1 -1,-0.4 -0.504 39.4-154.8 -72.5 136.9 42.1 -22.1 -19.1 67 69 A D E -GH 61 84A 0 17,-1.6 17,-3.5 -6,-0.2 2,-0.4 -0.972 13.6-170.8-116.3 135.1 41.0 -19.4 -16.7 68 70 A V E -GH 60 83A 8 -8,-3.1 -8,-2.4 -2,-0.4 2,-0.3 -0.970 16.5-177.1-129.8 139.5 38.5 -16.8 -18.1 69 71 A S E -GH 59 82A 0 13,-2.2 13,-1.2 -2,-0.4 2,-0.3 -0.849 12.8-175.2-138.5 108.4 37.1 -13.5 -16.8 70 72 A L E -GH 58 81A 4 -12,-3.7 -12,-2.1 -2,-0.3 2,-0.4 -0.769 9.2-162.8-102.2 139.8 34.5 -11.7 -18.9 71 73 A N E -GH 57 80A 0 9,-3.6 9,-3.0 -2,-0.3 2,-0.4 -0.990 10.4-163.2-118.7 133.2 32.9 -8.3 -18.2 72 74 A F E +GH 56 79A 0 -16,-1.5 -16,-2.2 -2,-0.4 7,-0.2 -0.958 20.9 175.8-119.3 131.5 29.7 -7.4 -19.9 73 75 A M E > > + H 0 78A 2 5,-2.5 5,-1.7 -2,-0.4 3,-1.0 -0.749 12.2 173.9-126.4 84.3 28.2 -4.0 -20.4 74 76 A P G > 5S+ 0 0 24 0, 0.0 3,-2.9 0, 0.0 -1,-0.1 0.887 72.6 63.4 -66.9 -41.2 25.1 -4.8 -22.6 75 77 A N G 3 5S+ 0 0 147 -21,-0.3 -20,-0.1 1,-0.3 -21,-0.0 0.833 109.3 44.7 -45.4 -36.7 23.6 -1.3 -22.5 76 78 A E G < 5S- 0 0 92 -3,-1.0 -1,-0.3 2,-0.2 3,-0.1 0.199 109.1-123.8 -97.9 17.1 26.8 -0.2 -24.3 77 79 A K T < 5S+ 0 0 48 -3,-2.9 51,-2.6 1,-0.2 2,-0.3 0.741 77.5 113.9 49.2 27.1 26.8 -3.2 -26.8 78 80 A R E < +HI 73 127A 102 -5,-1.7 -5,-2.5 49,-0.2 2,-0.3 -0.878 39.3 171.3-127.6 153.9 30.3 -3.8 -25.4 79 81 A M E -HI 72 126A 0 47,-1.8 47,-2.0 -2,-0.3 2,-0.4 -0.969 17.6-144.6-151.3 161.8 32.1 -6.5 -23.4 80 82 A H E -HI 71 125A 2 -9,-3.0 -9,-3.6 -2,-0.3 2,-0.4 -0.985 15.4-174.0-130.6 143.0 35.7 -7.3 -22.3 81 83 A G E -HI 70 124A 1 43,-2.6 43,-2.2 -2,-0.4 2,-0.4 -0.990 11.7-167.9-135.7 142.6 37.3 -10.7 -21.9 82 84 A I E -HI 69 123A 1 -13,-1.2 -13,-2.2 -2,-0.4 2,-0.5 -0.998 11.2-168.2-128.6 130.7 40.6 -11.9 -20.7 83 85 A I E -HI 68 122A 21 39,-1.6 39,-2.3 -2,-0.4 2,-0.8 -0.981 11.8-156.1-123.3 126.4 41.6 -15.5 -21.3 84 86 A F E -HI 67 121A 0 -17,-3.5 -17,-1.6 -2,-0.5 37,-0.2 -0.854 19.9-168.4-102.1 99.1 44.5 -17.2 -19.6 85 87 A F E - I 0 120A 12 35,-2.6 35,-3.1 -2,-0.8 2,-0.1 -0.749 22.2-123.8 -90.9 131.0 45.5 -20.1 -21.9 86 88 A P >> - 0 0 0 0, 0.0 3,-1.6 0, 0.0 4,-1.1 -0.477 36.1-106.8 -65.4 143.9 47.9 -22.8 -20.8 87 89 A K H >> S+ 0 0 45 29,-3.6 4,-2.2 1,-0.3 3,-0.9 0.861 117.7 57.6 -41.7 -46.4 50.8 -23.0 -23.2 88 90 A W H 3> S+ 0 0 1 27,-1.9 4,-3.2 1,-0.3 -1,-0.3 0.844 98.3 57.7 -62.6 -32.6 49.6 -26.2 -24.7 89 91 A V H <4 S+ 0 0 1 -3,-1.6 -1,-0.3 2,-0.2 -2,-0.2 0.873 108.9 48.0 -65.5 -30.6 46.2 -24.8 -25.6 90 92 A H H << S+ 0 0 87 -4,-1.1 -2,-0.2 -3,-0.9 -1,-0.2 0.905 117.9 41.3 -70.2 -42.2 48.1 -22.2 -27.8 91 93 A E H < S+ 0 0 93 -4,-2.2 -2,-0.2 1,-0.2 -3,-0.2 0.858 133.6 20.2 -70.0 -38.3 50.3 -24.9 -29.3 92 94 A H >< + 0 0 73 -4,-3.2 3,-2.0 -5,-0.2 4,-0.5 -0.323 66.9 153.7-135.4 52.6 47.5 -27.4 -29.8 93 95 A P G > + 0 0 15 0, 0.0 3,-0.8 0, 0.0 4,-0.4 0.756 65.8 75.9 -53.4 -29.6 44.2 -25.6 -29.7 94 96 A E G > S+ 0 0 128 1,-0.2 3,-1.2 2,-0.2 -5,-0.1 0.788 84.4 64.0 -57.0 -29.5 42.7 -28.4 -31.8 95 97 A I G < S+ 0 0 41 -3,-2.0 -1,-0.2 1,-0.3 -6,-0.1 0.930 100.9 51.2 -57.8 -44.4 42.6 -30.7 -28.8 96 98 A T G < S+ 0 0 3 -3,-0.8 2,-0.7 -4,-0.5 -1,-0.3 0.558 87.7 101.9 -70.1 -10.5 40.1 -28.3 -27.1 97 99 A V < + 0 0 53 -3,-1.2 2,-0.3 -4,-0.4 -58,-0.1 -0.714 61.6 66.5 -87.8 114.2 37.9 -28.4 -30.3 98 100 A C S S- 0 0 31 -2,-0.7 -58,-1.9 -60,-0.1 2,-0.9 -0.930 101.8 -57.3 166.5-179.8 34.9 -30.6 -29.7 99 101 A Y B > -e 40 0A 50 -2,-0.3 3,-0.8 -60,-0.2 4,-0.4 -0.841 54.5-154.6 -85.5 103.7 31.8 -30.8 -27.5 100 102 A Q G > S+ 0 0 5 -60,-2.1 3,-2.6 -2,-0.9 7,-0.2 0.819 82.6 64.9 -56.7 -39.8 33.6 -30.7 -24.2 101 103 A N G > S+ 0 0 42 1,-0.3 3,-1.0 -61,-0.3 -1,-0.2 0.884 100.1 52.2 -55.8 -44.9 31.0 -32.5 -22.1 102 104 A D G < S+ 0 0 114 -3,-0.8 -1,-0.3 1,-0.2 -2,-0.2 0.617 122.1 31.3 -62.3 -15.0 31.5 -35.7 -24.1 103 105 A H G <> + 0 0 88 -3,-2.6 4,-1.2 -4,-0.4 3,-0.4 -0.077 69.8 134.3-141.1 40.0 35.3 -35.6 -23.5 104 106 A I H <> S+ 0 0 67 -3,-1.0 4,-1.6 1,-0.2 3,-0.5 0.894 75.3 54.0 -59.1 -43.8 36.0 -33.9 -20.2 105 107 A D H > S+ 0 0 129 1,-0.3 4,-3.2 2,-0.2 -1,-0.2 0.833 101.6 60.9 -64.7 -29.6 38.6 -36.4 -19.0 106 108 A L H > S+ 0 0 90 -3,-0.4 4,-2.5 2,-0.2 -1,-0.3 0.914 103.3 50.0 -59.1 -42.6 40.5 -35.9 -22.2 107 109 A M H X S+ 0 0 0 -4,-1.2 4,-2.1 -3,-0.5 -2,-0.2 0.889 113.3 46.0 -65.4 -37.1 41.0 -32.2 -21.3 108 110 A K H X S+ 0 0 88 -4,-1.6 4,-1.3 2,-0.2 -2,-0.2 0.943 112.0 49.3 -73.2 -45.4 42.2 -33.2 -17.8 109 111 A E H X S+ 0 0 63 -4,-3.2 4,-2.2 1,-0.2 -2,-0.2 0.897 113.8 51.1 -57.7 -36.2 44.5 -35.9 -19.2 110 112 A S H X S+ 0 0 10 -4,-2.5 4,-2.8 -5,-0.2 -2,-0.2 0.894 101.9 54.8 -71.2 -43.6 45.8 -33.3 -21.6 111 113 A R H < S+ 0 0 28 -4,-2.1 -1,-0.2 -48,-0.3 -2,-0.2 0.768 114.0 44.2 -67.5 -24.0 46.6 -30.5 -19.3 112 114 A E H < S+ 0 0 121 -4,-1.3 -1,-0.2 -3,-0.2 -2,-0.2 0.895 113.9 50.3 -76.5 -47.5 48.8 -32.8 -17.3 113 115 A K H < S+ 0 0 153 -4,-2.2 -2,-0.2 -5,-0.2 -3,-0.2 0.907 110.3 50.1 -58.7 -48.5 50.4 -34.3 -20.4 114 116 A Y S < S- 0 0 73 -4,-2.8 2,-0.2 1,-0.1 -27,-0.1 -0.360 95.9 -84.8 -95.6 172.2 51.4 -31.1 -22.1 115 117 A E - 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