==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 11-APR-08 3CTA . COMPND 2 MOLECULE: RIBOFLAVIN KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOPLASMA ACIDOPHILUM DSM 1728; . AUTHOR J.B.BONANNO,M.RUTTER,K.T.BAIN,M.MENDOZA,R.ROMERO,D.SMITH, . 187 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10792.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 133 71.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 50 26.7 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 . 2 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 54 28.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 2.1 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 0 0 1 1 1 0 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 0 1 6 0 0 2 0 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 . 1 1 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 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 5 A D > 0 0 97 0, 0.0 4,-3.9 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -66.5 38.1 -3.9 23.2 2 6 A Q H > + 0 0 66 2,-0.2 4,-1.8 3,-0.2 5,-0.1 0.902 360.0 45.3 -56.7 -38.3 35.1 -6.3 22.8 3 7 A Y H > S+ 0 0 100 2,-0.2 4,-2.8 3,-0.2 5,-0.2 0.925 110.9 49.3 -62.8 -50.4 34.6 -4.7 26.3 4 8 A Y H > S+ 0 0 44 1,-0.2 4,-3.3 2,-0.2 -2,-0.2 0.953 112.8 50.3 -49.3 -48.4 35.4 -1.2 24.9 5 9 A R H X S+ 0 0 131 -4,-3.9 4,-2.9 1,-0.2 -2,-0.2 0.873 109.8 48.6 -63.3 -40.7 32.9 -1.9 22.2 6 10 A A H X S+ 0 0 0 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.927 113.3 46.6 -65.9 -46.1 30.2 -3.0 24.6 7 11 A I H X S+ 0 0 3 -4,-2.8 4,-2.9 2,-0.2 5,-0.2 0.957 114.4 48.5 -59.2 -48.9 30.7 0.1 26.8 8 12 A K H X S+ 0 0 83 -4,-3.3 4,-2.6 -5,-0.2 -2,-0.2 0.935 112.4 47.7 -57.2 -48.7 30.7 2.3 23.7 9 13 A K H X S+ 0 0 64 -4,-2.9 4,-2.7 1,-0.2 -1,-0.2 0.905 112.1 50.7 -61.1 -38.9 27.5 0.7 22.3 10 14 A I H X S+ 0 0 1 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.947 112.7 44.5 -64.5 -47.0 25.8 1.0 25.6 11 15 A K H < S+ 0 0 56 -4,-2.9 4,-0.3 2,-0.2 -2,-0.2 0.874 112.5 53.7 -61.6 -36.9 26.7 4.7 26.0 12 16 A E H >< S+ 0 0 114 -4,-2.6 3,-1.2 -5,-0.2 -2,-0.2 0.925 110.4 45.7 -62.5 -44.4 25.7 5.2 22.3 13 17 A A H 3< S+ 0 0 42 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.769 104.2 62.6 -68.6 -27.7 22.3 3.6 23.1 14 18 A A T >< S- 0 0 6 -4,-1.8 3,-1.5 1,-0.2 5,-0.4 0.581 89.3-173.2 -71.0 -9.7 22.1 5.7 26.2 15 19 A E T < - 0 0 71 -3,-1.2 -1,-0.2 -4,-0.3 -2,-0.1 -0.231 67.4 -7.6 49.6-126.7 22.1 8.6 23.7 16 20 A A T 3 S+ 0 0 102 -3,-0.1 -1,-0.3 2,-0.0 -2,-0.1 0.845 133.3 60.9 -65.9 -32.7 22.3 11.9 25.7 17 21 A S S < S- 0 0 62 -3,-1.5 -3,-0.1 2,-0.2 3,-0.0 0.004 85.9-120.2 -79.4-168.1 21.9 10.1 29.1 18 22 A N S S+ 0 0 59 -5,-0.1 46,-2.6 46,-0.0 2,-0.4 0.121 86.6 83.1-117.9 18.1 24.1 7.4 30.8 19 23 A R E -A 63 0A 37 -5,-0.4 2,-0.3 44,-0.2 44,-0.2 -0.966 52.2-179.2-125.7 135.8 21.2 4.8 30.9 20 24 A A E -A 62 0A 8 42,-2.7 42,-3.0 -2,-0.4 2,-0.9 -0.979 30.6-128.9-139.0 132.8 19.9 2.3 28.3 21 25 A Y E +A 61 0A 137 -2,-0.3 2,-0.4 40,-0.2 40,-0.2 -0.632 52.3 153.1 -67.6 106.0 17.1 -0.3 28.1 22 26 A L - 0 0 5 38,-1.2 2,-0.2 -2,-0.9 -2,-0.1 -0.984 32.7-160.0-145.9 130.3 19.1 -3.3 26.8 23 27 A T > - 0 0 71 -2,-0.4 4,-2.4 1,-0.1 5,-0.2 -0.594 39.9-109.0 -92.4 164.8 18.8 -7.0 27.1 24 28 A S H > S+ 0 0 18 -2,-0.2 4,-2.3 2,-0.2 14,-0.1 0.843 121.9 54.6 -60.2 -31.0 21.7 -9.3 26.5 25 29 A S H > S+ 0 0 71 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.972 110.0 44.0 -65.1 -52.6 19.9 -10.3 23.2 26 30 A K H > S+ 0 0 112 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.903 115.1 48.2 -60.6 -42.9 19.6 -6.8 22.0 27 31 A L H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.907 109.3 54.4 -65.8 -40.3 23.2 -5.9 23.0 28 32 A A H X>S+ 0 0 5 -4,-2.3 5,-2.2 -5,-0.2 4,-1.4 0.919 109.4 48.1 -54.9 -46.9 24.4 -9.2 21.2 29 33 A D H <5S+ 0 0 136 -4,-2.4 3,-0.4 1,-0.2 -2,-0.2 0.925 111.4 48.8 -61.4 -48.3 22.6 -8.0 18.1 30 34 A M H <5S+ 0 0 74 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.848 118.3 42.0 -57.6 -34.4 24.2 -4.5 18.2 31 35 A L H <5S- 0 0 41 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.631 107.1-120.8 -92.0 -14.7 27.6 -6.1 18.8 32 36 A G T <5S+ 0 0 70 -4,-1.4 2,-0.3 -3,-0.4 -3,-0.2 0.847 74.5 110.7 73.8 36.7 27.4 -9.0 16.2 33 37 A I S - 0 0 63 -2,-0.3 4,-2.2 1,-0.1 5,-0.2 -0.368 36.7-114.8 -74.9 156.2 26.0 -14.4 20.5 35 39 A Q H > S+ 0 0 91 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.870 118.5 53.9 -50.9 -40.1 23.5 -13.9 23.3 36 40 A Q H > S+ 0 0 160 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.904 107.2 48.9 -68.4 -43.6 25.7 -15.9 25.6 37 41 A S H > S+ 0 0 54 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.905 113.2 48.6 -54.7 -46.2 28.8 -13.8 24.8 38 42 A A H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.876 109.3 51.8 -64.7 -43.0 26.7 -10.7 25.5 39 43 A S H X S+ 0 0 33 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.950 111.4 47.8 -59.8 -47.2 25.4 -12.1 28.8 40 44 A R H X S+ 0 0 154 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.877 111.2 50.2 -61.5 -40.2 29.0 -12.8 29.9 41 45 A I H X S+ 0 0 14 -4,-2.1 4,-2.7 2,-0.2 5,-0.2 0.919 109.5 51.1 -64.7 -45.3 30.2 -9.4 29.0 42 46 A I H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.911 111.5 48.0 -59.3 -42.7 27.4 -7.7 30.9 43 47 A I H X S+ 0 0 63 -4,-2.1 4,-2.7 1,-0.2 5,-0.2 0.939 114.2 45.9 -64.2 -47.8 28.2 -9.7 34.0 44 48 A D H X S+ 0 0 20 -4,-2.4 4,-1.4 1,-0.2 -2,-0.2 0.876 113.0 49.3 -62.1 -41.6 31.9 -8.9 33.7 45 49 A L H <>S+ 0 0 1 -4,-2.7 5,-2.3 2,-0.2 6,-1.0 0.884 114.5 45.5 -67.4 -38.7 31.3 -5.2 33.1 46 50 A E H ><5S+ 0 0 69 -4,-2.2 3,-1.2 -5,-0.2 -2,-0.2 0.914 112.0 49.7 -71.2 -44.9 28.9 -5.0 36.1 47 51 A K H 3<5S+ 0 0 169 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.770 114.1 47.6 -64.3 -25.5 31.1 -7.0 38.5 48 52 A N T 3<5S- 0 0 90 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.218 117.8-108.7-108.1 10.0 34.1 -4.8 37.6 49 53 A G T < 5S+ 0 0 30 -3,-1.2 19,-0.4 2,-0.3 18,-0.4 0.526 84.9 114.6 87.1 9.5 32.3 -1.5 37.9 50 54 A Y S -B 59 0A 53 3,-2.1 3,-1.7 -2,-0.6 -2,-0.0 -0.808 53.8-100.6-122.6 164.6 12.6 -2.8 36.5 57 61 A K T 3 S+ 0 0 221 -2,-0.3 3,-0.1 1,-0.3 -2,-0.0 0.653 125.4 52.0 -48.4 -22.2 8.9 -3.4 35.5 58 62 A R T 3 S- 0 0 71 1,-0.4 2,-0.3 3,-0.0 -1,-0.3 0.502 124.1 -87.7 -99.8 -7.6 9.9 -1.6 32.3 59 63 A G E < - B 0 56A 29 -3,-1.7 -3,-2.1 2,-0.0 -1,-0.4 -0.785 60.3 -37.4 130.9-177.5 12.8 -3.8 31.5 60 64 A Q E - B 0 55A 36 -2,-0.3 -38,-1.2 -5,-0.2 2,-0.5 -0.713 50.0-159.4 -87.9 134.9 16.5 -4.1 32.2 61 65 A I E -AB 21 54A 28 -7,-2.6 -7,-2.6 -2,-0.4 2,-0.5 -0.960 4.8-158.7-115.6 128.1 18.5 -0.9 32.3 62 66 A L E -AB 20 53A 0 -42,-3.0 -42,-2.7 -2,-0.5 2,-0.4 -0.955 13.0-166.4-103.7 124.9 22.2 -0.8 31.8 63 67 A N E -AB 19 52A 39 -11,-2.9 -11,-2.4 -2,-0.5 2,-0.3 -0.935 16.2-133.9-112.4 129.7 23.8 2.3 33.3 64 68 A I E - B 0 51A 13 -46,-2.6 -13,-0.3 -2,-0.4 2,-0.1 -0.660 25.2-145.1 -80.3 139.0 27.4 3.4 32.5 65 69 A T > - 0 0 33 -15,-2.0 4,-2.5 -2,-0.3 5,-0.2 -0.375 30.9 -95.2 -93.6 177.6 29.4 4.4 35.6 66 70 A E H > S+ 0 0 68 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.884 129.9 50.4 -57.0 -40.2 32.1 7.0 36.1 67 71 A K H > S+ 0 0 73 -18,-0.4 4,-1.3 2,-0.2 -1,-0.2 0.894 107.8 50.9 -69.0 -37.6 34.5 4.3 35.5 68 72 A G H > S+ 0 0 0 -19,-0.4 4,-1.0 -18,-0.3 3,-0.3 0.911 111.1 48.8 -65.7 -43.5 32.8 3.1 32.3 69 73 A L H X S+ 0 0 6 -4,-2.5 4,-2.8 1,-0.2 3,-0.3 0.889 103.7 61.2 -60.1 -40.0 32.8 6.6 30.9 70 74 A D H X S+ 0 0 18 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.850 97.7 58.8 -56.1 -35.2 36.5 6.9 31.8 71 75 A V H X S+ 0 0 39 -4,-1.3 4,-1.6 -3,-0.3 -1,-0.2 0.932 111.1 41.2 -59.1 -44.4 37.1 4.0 29.4 72 76 A L H X S+ 0 0 32 -4,-1.0 4,-2.2 -3,-0.3 -2,-0.2 0.918 115.3 48.7 -71.2 -45.9 35.6 6.1 26.6 73 77 A Y H X S+ 0 0 60 -4,-2.8 4,-2.6 2,-0.2 -2,-0.2 0.850 110.0 53.6 -62.6 -34.6 37.3 9.4 27.6 74 78 A T H X S+ 0 0 49 -4,-2.5 4,-2.9 -5,-0.3 -2,-0.2 0.910 110.0 47.4 -66.3 -39.2 40.7 7.5 27.9 75 79 A E H X S+ 0 0 68 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.905 111.9 49.9 -67.1 -42.0 40.2 6.2 24.3 76 80 A F H X S+ 0 0 91 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.912 112.7 46.3 -58.8 -48.6 39.3 9.7 23.1 77 81 A A H X S+ 0 0 2 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.903 110.0 54.9 -63.6 -42.3 42.4 11.2 24.8 78 82 A D H X S+ 0 0 39 -4,-2.9 4,-2.6 1,-0.2 -2,-0.2 0.919 111.4 44.7 -53.8 -46.2 44.6 8.3 23.3 79 83 A L H X S+ 0 0 82 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.861 110.3 54.2 -70.9 -35.5 43.4 9.2 19.9 80 84 A S H <>S+ 0 0 6 -4,-2.3 5,-3.2 2,-0.2 -1,-0.2 0.855 113.5 42.9 -59.2 -43.8 43.8 13.0 20.5 81 85 A R H ><5S+ 0 0 104 -4,-2.1 3,-1.2 3,-0.2 -2,-0.2 0.962 117.3 45.5 -65.6 -51.4 47.4 12.4 21.5 82 86 A I H 3<5S+ 0 0 112 -4,-2.6 -2,-0.2 1,-0.3 -3,-0.2 0.821 121.0 37.8 -66.3 -35.4 48.2 9.9 18.7 83 87 A L T 3<5S- 0 0 110 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.318 110.5-121.1 -96.3 2.9 46.5 12.0 16.0 84 88 A A T < 5 + 0 0 77 -3,-1.2 2,-0.6 1,-0.2 -3,-0.2 0.933 52.6 162.0 53.6 53.1 47.8 15.3 17.5 85 89 A I < - 0 0 79 -5,-3.2 2,-0.3 -6,-0.2 -1,-0.2 -0.916 37.6-128.0-103.8 125.8 44.4 16.8 18.0 86 90 A K + 0 0 155 -2,-0.6 -5,-0.0 1,-0.1 -6,-0.0 -0.582 34.3 166.7 -81.6 129.4 44.3 19.6 20.5 87 91 A N + 0 0 25 -2,-0.3 2,-0.2 -10,-0.0 -1,-0.1 -0.452 9.2 167.4-140.6 55.8 41.7 19.2 23.2 88 92 A N - 0 0 88 102,-0.1 2,-0.3 103,-0.1 102,-0.2 -0.480 22.2-144.0 -77.4 155.4 42.5 21.8 25.9 89 93 A V E -C 189 0B 4 100,-2.7 100,-3.9 -2,-0.2 2,-0.4 -0.860 19.6-154.5-132.5 144.6 39.8 22.4 28.5 90 94 A V E +C 188 0B 73 -2,-0.3 2,-0.4 98,-0.3 98,-0.2 -0.987 19.9 179.1-116.4 128.9 38.1 25.0 30.8 91 95 A I E -C 187 0B 4 96,-3.0 96,-3.3 -2,-0.4 2,-0.3 -0.981 8.1-161.5-126.6 142.6 36.5 23.9 34.0 92 96 A T E +C 186 0B 40 -2,-0.4 28,-2.7 94,-0.2 2,-0.3 -0.926 26.2 126.5-122.2 149.4 34.7 26.1 36.6 93 97 A G E -CD 185 119B 1 92,-2.0 92,-2.5 -2,-0.3 2,-0.4 -0.876 51.6 -70.6-169.0-154.8 33.8 25.5 40.2 94 98 A T E -CD 184 118B 51 24,-2.7 24,-3.2 -2,-0.3 90,-0.2 -0.951 38.6-114.2-125.0 135.9 34.1 26.8 43.7 95 99 A V E - D 0 117B 58 88,-2.9 2,-0.3 -2,-0.4 22,-0.2 -0.433 41.8-167.9 -64.3 142.2 37.2 27.0 46.0 96 100 A T 0 0 64 20,-2.2 20,-0.4 -2,-0.1 -1,-0.0 -0.887 360.0 360.0-136.7 156.8 36.6 24.7 48.9 97 101 A S 0 0 160 -2,-0.3 20,-0.1 18,-0.1 -2,-0.0 -0.228 360.0 360.0 -49.0 360.0 38.3 24.2 52.4 98 ! 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 99 114 A Q 0 0 66 0, 0.0 4,-0.5 0, 0.0 40,-0.1 0.000 360.0 360.0 360.0 -43.5 59.8 12.1 46.8 100 115 A Y > + 0 0 61 2,-0.1 4,-2.2 3,-0.1 3,-0.4 0.861 360.0 56.2 -75.5 -43.1 56.9 13.7 45.0 101 116 A I H > S+ 0 0 50 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.835 102.7 53.3 -59.0 -39.4 58.2 17.1 45.9 102 117 A I H > S+ 0 0 97 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.816 110.2 48.4 -69.4 -32.9 61.5 16.5 44.2 103 118 A Q H >>S+ 0 0 32 -4,-0.5 4,-3.4 -3,-0.4 5,-0.7 0.863 106.8 54.4 -73.6 -39.1 59.8 15.5 41.0 104 119 A F H X5S+ 0 0 25 -4,-2.2 4,-1.7 1,-0.2 6,-0.8 0.954 113.4 45.7 -57.2 -47.0 57.5 18.5 41.1 105 120 A Q H <5S+ 0 0 91 -4,-2.3 4,-0.5 4,-0.2 -2,-0.2 0.906 120.9 36.3 -56.4 -50.1 60.7 20.5 41.3 106 121 A E H <5S+ 0 0 151 -4,-2.1 -2,-0.2 3,-0.2 -3,-0.2 0.907 126.9 32.9 -77.7 -42.7 62.6 18.6 38.6 107 122 A K H <5S+ 0 0 101 -4,-3.4 -3,-0.2 1,-0.2 -2,-0.2 0.811 130.7 31.1 -89.0 -31.0 59.8 17.9 36.1 108 123 A L S < - 0 0 35 -28,-2.7 3,-1.4 -2,-0.1 4,-0.4 -0.271 22.7-119.0 -67.4 151.0 30.5 22.4 38.9 121 138 A Q G > S+ 0 0 135 1,-0.3 3,-0.8 2,-0.2 -1,-0.1 0.805 116.5 57.8 -58.8 -27.6 28.2 19.6 37.7 122 139 A A G 3 S+ 0 0 92 1,-0.2 -1,-0.3 2,-0.1 4,-0.1 0.703 105.8 48.2 -80.3 -20.0 28.1 21.3 34.4 123 140 A S G X> S+ 0 0 12 -3,-1.4 4,-1.9 -31,-0.3 3,-0.6 0.308 82.2 99.5 -96.1 2.2 31.9 21.1 34.0 124 141 A L H <> S+ 0 0 18 -3,-0.8 4,-2.5 -4,-0.4 5,-0.2 0.867 77.9 55.9 -58.8 -37.1 32.0 17.4 35.0 125 142 A P H 3> S+ 0 0 48 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.847 108.0 48.8 -63.0 -30.8 32.2 16.4 31.3 126 143 A E H <> S+ 0 0 62 -3,-0.6 4,-2.2 2,-0.2 -2,-0.2 0.878 110.6 50.1 -74.1 -40.8 35.3 18.6 31.0 127 144 A L H X S+ 0 0 3 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.880 108.7 52.7 -59.4 -45.9 36.9 17.0 34.1 128 145 A R H X S+ 0 0 35 -4,-2.5 4,-0.9 2,-0.2 -2,-0.2 0.882 107.6 52.4 -58.8 -39.5 36.1 13.6 32.7 129 146 A K H >X S+ 0 0 39 -4,-1.5 3,-1.1 1,-0.2 4,-0.6 0.957 108.9 49.4 -59.7 -51.1 37.9 14.6 29.5 130 147 A I H >< S+ 0 0 1 -4,-2.2 3,-1.5 1,-0.3 -2,-0.2 0.890 104.5 59.2 -51.2 -47.4 41.0 15.7 31.5 131 148 A R H 3< S+ 0 0 11 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.734 97.9 60.1 -60.1 -25.0 41.0 12.4 33.4 132 149 A G H << S+ 0 0 4 -3,-1.1 -1,-0.3 -4,-0.9 -2,-0.2 0.742 92.9 82.8 -74.7 -22.8 41.4 10.4 30.2 133 150 A F S << S- 0 0 15 -3,-1.5 -55,-0.1 -4,-0.6 -59,-0.0 -0.337 77.1-133.8 -81.2 166.1 44.7 12.2 29.3 134 151 A R - 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