==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 16-MAY-01 1J7I . COMPND 2 MOLECULE: AMINOGLYCOSIDE 3'-PHOSPHOTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROCOCCUS FAECALIS; . AUTHOR D.L.BURK,W.C.HON,A.K.-W.LEUNG,A.M.BERGHUIS . 260 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13333.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 170 65.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 37 14.2 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 . 3 1.2 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 . 19 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 77 29.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.8 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 1 0 0 1 1 0 1 1 1 1 1 1 0 0 0 0 0 0 0 0 0 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 . 0 2 0 2 2 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 R 0 0 153 0, 0.0 2,-0.3 0, 0.0 77,-0.1 0.000 360.0 360.0 360.0 -71.2 60.3 0.1 13.2 2 6 A I - 0 0 24 75,-0.0 77,-0.0 77,-0.0 75,-0.0 -0.962 360.0 -93.1-137.1 155.4 62.8 0.6 16.0 3 7 A S > - 0 0 5 -2,-0.3 4,-2.8 1,-0.1 5,-0.2 -0.295 38.8-114.9 -65.6 151.8 63.4 -0.7 19.5 4 8 A P H > S+ 0 0 84 0, 0.0 4,-3.2 0, 0.0 5,-0.3 0.961 115.0 57.5 -52.0 -55.4 61.9 1.4 22.3 5 9 A E H > S+ 0 0 135 1,-0.3 4,-1.4 2,-0.2 -2,-0.0 0.837 112.8 38.6 -41.6 -52.4 65.3 2.2 23.6 6 10 A L H > S+ 0 0 3 2,-0.2 4,-2.2 1,-0.2 5,-0.3 0.900 112.7 57.0 -69.8 -40.1 66.4 3.7 20.3 7 11 A K H X S+ 0 0 101 -4,-2.8 4,-1.1 1,-0.2 -2,-0.2 0.953 106.1 51.8 -53.0 -49.2 63.0 5.3 19.7 8 12 A K H < S+ 0 0 152 -4,-3.2 -1,-0.2 -5,-0.2 -2,-0.2 0.865 114.0 44.5 -55.8 -39.6 63.5 7.1 23.1 9 13 A L H >< S+ 0 0 76 -4,-1.4 3,-2.4 -5,-0.3 4,-0.4 0.987 105.7 52.6 -73.5 -63.1 66.9 8.4 22.0 10 14 A I H >< S+ 0 0 16 -4,-2.2 3,-0.8 1,-0.3 -1,-0.2 0.660 96.6 73.4 -50.4 -19.4 66.5 9.7 18.4 11 15 A E T 3< S+ 0 0 121 -4,-1.1 -1,-0.3 -5,-0.3 -2,-0.1 0.558 81.3 67.5 -75.6 -7.9 63.6 11.8 19.6 12 16 A K T < S+ 0 0 156 -3,-2.4 -1,-0.2 -4,-0.1 2,-0.2 0.786 99.4 63.8 -77.7 -27.4 65.8 14.3 21.4 13 17 A Y S < S- 0 0 50 -3,-0.8 19,-0.2 -4,-0.4 23,-0.1 -0.570 96.7-113.4 -94.2 158.4 67.1 15.2 17.9 14 18 A R - 0 0 166 17,-2.1 16,-0.1 -2,-0.2 18,-0.1 0.778 42.3-152.3 -62.9 -32.9 65.0 16.8 15.2 15 19 A C - 0 0 57 1,-0.1 2,-0.3 22,-0.1 15,-0.2 0.860 15.9-174.2 58.1 114.6 65.1 13.9 12.8 16 20 A V E -A 29 0A 38 13,-2.0 13,-3.3 1,-0.0 3,-0.2 -1.000 28.4 -93.5-142.3 141.5 64.7 14.6 9.0 17 21 A K E -A 28 0A 152 -2,-0.3 11,-0.2 11,-0.2 9,-0.0 0.052 65.6 -60.6 -53.3 155.6 64.4 12.5 5.9 18 22 A D + 0 0 79 9,-1.3 -1,-0.2 1,-0.1 10,-0.1 -0.081 53.9 163.2 -44.0 124.8 67.5 11.5 3.8 19 23 A T + 0 0 90 -3,-0.2 2,-0.2 2,-0.1 -1,-0.1 0.198 56.5 55.7-129.4 10.8 69.5 14.4 2.3 20 24 A E S S- 0 0 54 171,-0.0 2,-1.2 7,-0.0 171,-0.1 -0.625 106.5 -42.5-130.7-170.3 72.8 12.8 1.4 21 25 A G S S+ 0 0 18 169,-0.6 2,-0.3 -2,-0.2 -2,-0.1 -0.438 83.7 128.8 -63.4 94.0 74.1 9.9 -0.7 22 26 A M + 0 0 34 -2,-1.2 5,-0.1 1,-0.1 4,-0.0 -0.972 28.9 176.5-145.1 156.5 71.7 7.1 0.1 23 27 A S + 0 0 93 -2,-0.3 -1,-0.1 28,-0.1 4,-0.1 0.553 66.5 0.4-129.5 -87.0 69.5 4.7 -1.9 24 28 A P S S+ 0 0 57 0, 0.0 3,-0.1 0, 0.0 27,-0.0 0.917 105.5 87.3 -79.3 -41.0 67.2 1.8 -0.8 25 29 A A S S- 0 0 10 26,-0.1 17,-0.2 1,-0.1 2,-0.2 -0.187 85.3-113.8 -58.5 142.8 67.6 2.2 2.9 26 30 A K E - B 0 41A 76 15,-3.0 15,-2.9 -9,-0.0 2,-0.4 -0.558 40.3-164.4 -73.8 141.2 65.5 4.6 4.9 27 31 A V E - B 0 40A 5 13,-0.2 -9,-1.3 -2,-0.2 2,-0.4 -0.995 14.3-170.8-138.6 134.3 67.7 7.3 6.2 28 32 A Y E -AB 17 39A 79 11,-3.1 11,-2.6 -2,-0.4 2,-0.6 -0.980 13.1-150.7-124.2 135.0 67.2 9.9 8.9 29 33 A K E -AB 16 38A 60 -13,-3.3 -13,-2.0 -2,-0.4 2,-0.6 -0.921 17.1-148.9-102.4 116.4 69.4 12.9 9.7 30 34 A L E - B 0 37A 0 7,-3.9 7,-2.0 -2,-0.6 2,-0.8 -0.824 9.3-156.1 -91.1 121.2 69.1 13.7 13.4 31 35 A V E + B 0 36A 44 -2,-0.6 -17,-2.1 5,-0.2 2,-0.2 -0.850 15.3 176.5-103.4 107.0 69.6 17.4 13.9 32 36 A G - 0 0 18 3,-1.5 -19,-0.1 -2,-0.8 -20,-0.0 -0.562 40.1-122.0 -97.0 166.8 70.8 18.4 17.4 33 37 A E S S+ 0 0 192 -2,-0.2 3,-0.1 1,-0.1 -1,-0.1 0.639 114.9 35.2 -82.5 -11.4 71.6 22.0 18.3 34 38 A N S S- 0 0 145 1,-0.4 2,-0.3 0, 0.0 -1,-0.1 0.824 130.7 -16.7-104.1 -47.5 75.1 20.8 19.3 35 39 A E - 0 0 88 52,-0.0 -3,-1.5 2,-0.0 -1,-0.4 -0.926 64.0-107.0-152.0 175.4 75.9 18.0 16.7 36 40 A N E -B 31 0A 32 -2,-0.3 52,-0.4 -5,-0.2 2,-0.3 -0.833 20.1-167.7-116.9 156.8 74.3 15.6 14.2 37 41 A L E -B 30 0A 11 -7,-2.0 -7,-3.9 -2,-0.3 2,-0.5 -0.926 12.4-140.7-136.6 156.2 73.5 11.9 13.9 38 42 A Y E -BC 29 86A 16 48,-2.8 48,-2.5 -2,-0.3 2,-0.5 -0.962 7.8-165.3-129.3 118.0 72.5 9.5 11.1 39 43 A L E -BC 28 85A 1 -11,-2.6 -11,-3.1 -2,-0.5 2,-0.4 -0.866 11.8-171.5-100.2 126.5 70.0 6.7 11.4 40 44 A K E -BC 27 84A 14 44,-3.3 44,-3.2 -2,-0.5 2,-0.4 -0.975 2.5-174.1-123.1 136.3 70.1 4.2 8.6 41 45 A M E +BC 26 83A 5 -15,-2.9 -15,-3.0 -2,-0.4 2,-0.3 -0.989 15.4 164.1-138.2 133.3 67.5 1.4 8.1 42 46 A T E - C 0 82A 5 40,-2.0 40,-2.9 -2,-0.4 12,-0.1 -0.969 26.5-141.7-136.8 145.6 67.1 -1.6 5.7 43 47 A D - 0 0 29 -2,-0.3 39,-0.4 38,-0.3 -1,-0.2 0.606 36.6 -80.2 -84.1-126.7 64.7 -4.4 6.4 44 48 A S S > S+ 0 0 73 37,-0.1 3,-2.4 2,-0.1 37,-0.1 0.622 112.0 75.9-115.6 -26.1 65.0 -8.2 5.8 45 49 A R T 3 S+ 0 0 126 1,-0.3 7,-0.1 35,-0.2 102,-0.1 0.916 103.8 43.0 -54.3 -39.1 64.3 -8.4 2.1 46 50 A Y T > S+ 0 0 45 2,-0.1 3,-1.1 5,-0.1 6,-0.9 0.240 86.0 142.1 -90.3 13.2 67.7 -7.0 1.5 47 51 A K T < S+ 0 0 83 -3,-2.4 2,-0.6 1,-0.2 -3,-0.1 -0.220 70.7 9.9 -57.9 142.3 69.3 -9.2 4.1 48 52 A G T 3 S+ 0 0 47 1,-0.2 -1,-0.2 2,-0.0 2,-0.1 -0.006 104.2 106.8 81.6 -33.9 72.8 -10.4 3.1 49 53 A T S X S- 0 0 12 -3,-1.1 3,-1.6 -2,-0.6 6,-0.2 -0.361 91.7 -96.4 -76.6 161.7 73.1 -8.2 0.1 50 54 A T T 3 S+ 0 0 4 1,-0.3 158,-0.1 -3,-0.1 -1,-0.1 0.404 122.9 63.2 -58.7 3.6 75.4 -5.1 -0.2 51 55 A Y T 3 S+ 0 0 32 -5,-0.4 -1,-0.3 155,-0.1 -26,-0.1 0.785 73.9 100.9 -96.2 -38.3 72.3 -3.1 0.7 52 56 A D X> - 0 0 3 -3,-1.6 4,-1.0 -6,-0.9 3,-1.0 -0.238 69.2-143.6 -49.8 124.5 71.7 -4.6 4.2 53 57 A V H 3> S+ 0 0 0 1,-0.2 4,-3.0 29,-0.2 5,-0.2 0.765 94.7 72.3 -67.3 -22.0 73.1 -2.1 6.7 54 58 A E H 3> S+ 0 0 27 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.861 98.1 51.0 -60.1 -31.2 74.3 -4.8 9.0 55 59 A R H <> S+ 0 0 22 -3,-1.0 4,-2.6 -6,-0.2 5,-0.3 0.948 109.2 49.4 -68.7 -45.8 77.0 -5.4 6.3 56 60 A E H X S+ 0 0 5 -4,-1.0 4,-2.4 1,-0.2 -2,-0.2 0.879 109.2 52.9 -60.2 -39.2 77.8 -1.6 6.4 57 61 A K H X S+ 0 0 37 -4,-3.0 4,-2.4 2,-0.2 -1,-0.2 0.952 109.1 49.5 -61.8 -48.1 78.0 -1.8 10.2 58 62 A D H X S+ 0 0 53 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.905 115.0 42.5 -56.4 -47.5 80.5 -4.7 9.9 59 63 A M H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.831 110.9 57.6 -68.9 -33.3 82.7 -2.9 7.4 60 64 A M H < S+ 0 0 3 -4,-2.4 -2,-0.2 -5,-0.3 -1,-0.2 0.909 109.8 43.1 -65.2 -41.6 82.4 0.3 9.3 61 65 A L H >< S+ 0 0 78 -4,-2.4 3,-1.8 1,-0.2 -2,-0.2 0.958 113.4 51.5 -70.1 -46.9 83.8 -1.3 12.5 62 66 A W H 3< S+ 0 0 39 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.896 102.2 59.5 -54.2 -49.8 86.6 -3.1 10.7 63 67 A L T >X S+ 0 0 0 -4,-2.2 3,-1.6 -5,-0.1 4,-1.3 0.303 77.8 131.4 -64.3 6.8 87.8 -0.0 8.9 64 68 A E T <4 S+ 0 0 110 -3,-1.8 -3,-0.1 1,-0.3 7,-0.0 -0.492 75.7 10.0 -68.4 126.5 88.5 1.6 12.2 65 69 A G T 34 S+ 0 0 84 2,-0.3 -1,-0.3 -2,-0.3 -2,-0.1 0.466 122.4 70.9 85.0 1.4 91.9 3.1 12.4 66 70 A K T <4 S+ 0 0 88 -3,-1.6 -2,-0.2 1,-0.5 -3,-0.1 0.770 103.9 14.7-108.4 -71.2 92.5 2.7 8.7 67 71 A L S < S- 0 0 6 -4,-1.3 2,-0.7 135,-0.0 -1,-0.5 -0.820 89.5-100.7-106.1 150.0 90.3 5.1 6.7 68 72 A P + 0 0 51 0, 0.0 134,-1.0 0, 0.0 22,-0.1 -0.589 60.1 157.0 -75.3 111.4 88.5 8.1 8.3 69 73 A V - 0 0 32 -2,-0.7 134,-0.1 132,-0.2 -4,-0.1 -0.846 45.2 -92.7-127.9 166.3 85.0 6.8 8.8 70 74 A P - 0 0 7 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.210 48.9-100.2 -71.9 174.1 82.2 7.9 11.1 71 75 A K - 0 0 115 17,-0.2 16,-1.9 -7,-0.0 2,-0.4 -0.770 24.3-121.9 -99.6 145.9 81.7 6.1 14.5 72 76 A V E +D 86 0A 45 -2,-0.3 14,-0.2 14,-0.2 3,-0.1 -0.701 36.0 163.4 -84.0 132.7 79.2 3.3 15.3 73 77 A L E + 0 0 88 12,-2.4 2,-0.3 -2,-0.4 13,-0.2 0.652 63.4 5.1-118.9 -34.5 76.9 4.2 18.2 74 78 A H E +D 85 0A 56 11,-1.7 11,-3.0 2,-0.0 -1,-0.4 -0.956 54.9 172.5-158.8 134.3 74.0 1.8 18.0 75 79 A F E +D 84 0A 43 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.904 14.4 156.5-147.1 127.5 73.0 -1.2 15.9 76 80 A E E -D 83 0A 23 7,-1.5 7,-2.5 -2,-0.3 2,-0.5 -0.906 38.8-128.1-146.9 164.7 70.1 -3.5 16.3 77 81 A R E +D 82 0A 181 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.948 36.3 173.9-111.8 126.9 67.9 -6.0 14.6 78 82 A H - 0 0 46 3,-2.0 3,-0.1 -2,-0.5 -2,-0.0 -0.935 62.9 -23.4-144.1 123.3 64.3 -5.1 15.3 79 83 A D S S- 0 0 125 -2,-0.3 3,-0.1 1,-0.2 -77,-0.0 0.803 130.6 -44.3 47.0 38.9 61.2 -6.7 13.8 80 84 A G S S+ 0 0 45 1,-0.3 2,-0.4 -37,-0.1 -1,-0.2 0.890 114.9 119.1 75.8 41.5 63.2 -7.9 10.8 81 85 A W - 0 0 44 -37,-0.1 -3,-2.0 -38,-0.1 2,-0.6 -0.997 56.3-143.2-141.3 134.6 65.1 -4.6 10.3 82 86 A S E -CD 42 77A 4 -40,-2.9 -40,-2.0 -39,-0.4 2,-0.5 -0.855 26.4-171.9 -96.2 123.1 68.7 -3.8 10.5 83 87 A N E -CD 41 76A 0 -7,-2.5 -7,-1.5 -2,-0.6 2,-0.5 -0.971 8.4-169.8-124.3 128.1 69.2 -0.3 12.0 84 88 A L E -CD 40 75A 0 -44,-3.2 -44,-3.3 -2,-0.5 2,-0.5 -0.939 5.6-171.1-120.0 131.2 72.4 1.7 12.2 85 89 A L E +CD 39 74A 2 -11,-3.0 -12,-2.4 -2,-0.5 -11,-1.7 -0.969 21.2 164.9-118.4 111.0 73.0 4.8 14.2 86 90 A M E -CD 38 72A 11 -48,-2.5 -48,-2.8 -2,-0.5 -14,-0.2 -0.878 34.3-110.5-126.4 160.9 76.3 6.5 13.5 87 91 A S - 0 0 30 -16,-1.9 2,-0.2 -2,-0.3 -1,-0.2 0.173 50.6 -73.8 -70.0-163.8 77.8 9.9 14.1 88 92 A E - 0 0 79 -52,-0.4 -17,-0.2 1,-0.1 -1,-0.2 -0.624 48.9 -97.7 -98.8 156.4 78.5 12.5 11.4 89 93 A A - 0 0 19 -2,-0.2 2,-0.8 -19,-0.1 -1,-0.1 -0.243 43.3-101.0 -66.7 161.3 81.3 12.4 8.9 90 94 A D S S- 0 0 89 110,-0.3 2,-0.4 -22,-0.1 110,-0.1 -0.739 74.9 -30.2 -93.4 106.7 84.5 14.4 9.5 91 95 A G S S- 0 0 43 -2,-0.8 2,-0.4 2,-0.0 104,-0.2 -0.797 98.9 -5.8 107.9-139.0 84.7 17.7 7.6 92 96 A V E -E 194 0B 86 102,-2.7 102,-3.3 -2,-0.4 2,-0.3 -0.932 62.7-113.8-114.9 135.1 83.3 19.0 4.4 93 97 A L E > -E 193 0B 39 -2,-0.4 3,-1.5 100,-0.3 100,-0.2 -0.452 19.4-141.4 -65.4 123.6 81.4 17.1 1.7 94 98 A C T 3 S+ 0 0 3 98,-2.7 96,-0.2 -2,-0.3 -1,-0.1 0.729 89.4 81.2 -58.8 -25.2 83.5 16.9 -1.5 95 99 A S T 3 S+ 0 0 28 97,-0.3 2,-1.0 1,-0.2 -1,-0.3 0.708 78.0 72.9 -56.8 -25.3 80.4 17.4 -3.7 96 100 A E S < S+ 0 0 114 -3,-1.5 -1,-0.2 1,-0.2 94,-0.0 -0.679 81.5 63.3-100.5 82.5 80.4 21.2 -3.2 97 101 A E S S+ 0 0 59 -2,-1.0 -1,-0.2 3,-0.0 10,-0.1 0.150 77.3 68.5 168.1 61.6 83.3 22.6 -5.3 98 102 A Y + 0 0 61 -3,-0.2 -2,-0.1 9,-0.0 5,-0.1 0.277 62.5 98.4-163.3 -1.3 83.2 22.1 -9.0 99 103 A E S S+ 0 0 139 129,-0.0 2,-0.1 0, 0.0 -3,-0.0 0.467 82.7 64.7 -75.3 -1.0 80.3 24.3 -10.2 100 104 A D S S- 0 0 135 1,-0.1 3,-0.1 2,-0.0 -3,-0.0 -0.257 86.8-111.2-107.8-164.8 82.9 26.9 -11.1 101 105 A E S S+ 0 0 165 1,-0.2 2,-1.1 -2,-0.1 -1,-0.1 0.909 93.5 51.7 -95.2 -72.9 85.8 27.3 -13.6 102 106 A Q S S+ 0 0 179 1,-0.2 -1,-0.2 2,-0.1 -2,-0.0 -0.600 93.3 66.6 -76.5 96.5 89.3 27.3 -11.9 103 107 A S >> + 0 0 47 -2,-1.1 4,-0.8 -3,-0.1 3,-0.5 0.366 51.3 108.1 178.4 -16.7 89.4 24.2 -9.7 104 108 A P H >> S+ 0 0 14 0, 0.0 4,-1.6 0, 0.0 3,-0.8 0.829 73.7 67.7 -47.7 -41.5 89.3 20.8 -11.4 105 109 A E H 3> S+ 0 0 132 1,-0.2 4,-1.5 2,-0.2 3,-0.3 0.909 97.0 50.8 -46.5 -56.8 93.0 19.9 -10.7 106 110 A K H <> S+ 0 0 102 -3,-0.5 4,-1.1 1,-0.2 -1,-0.2 0.787 105.6 57.6 -54.4 -35.3 92.6 19.6 -6.9 107 111 A I H XX S+ 0 0 8 -4,-0.8 4,-2.0 -3,-0.8 3,-1.2 0.964 103.0 52.0 -61.3 -52.4 89.6 17.2 -7.3 108 112 A I H 3X S+ 0 0 0 -4,-1.6 4,-2.4 -3,-0.3 -1,-0.2 0.887 106.6 55.0 -50.4 -44.9 91.6 14.7 -9.4 109 113 A E H 3X S+ 0 0 93 -4,-1.5 4,-2.7 1,-0.2 -1,-0.3 0.771 106.2 51.2 -60.6 -32.2 94.3 14.6 -6.7 110 114 A L H X S+ 0 0 3 -4,-2.3 4,-1.7 1,-0.2 3,-1.0 0.943 112.2 43.3 -60.8 -52.6 92.6 5.4 -4.7 116 120 A R H 3< S+ 0 0 131 -4,-2.2 4,-0.4 1,-0.3 -1,-0.2 0.761 105.9 66.1 -67.7 -19.7 96.1 4.8 -3.3 117 121 A L H 3< S+ 0 0 48 -4,-1.6 3,-0.3 -5,-0.2 -1,-0.3 0.855 104.7 43.3 -67.7 -33.2 94.6 5.0 0.1 118 122 A F H X< S+ 0 0 0 -4,-1.1 3,-2.3 -3,-1.0 64,-0.5 0.888 106.2 59.3 -77.1 -42.5 92.6 1.8 -0.6 119 123 A H T 3< S+ 0 0 80 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.561 103.0 57.7 -64.2 -5.1 95.6 -0.0 -2.2 120 124 A S T 3 S+ 0 0 83 -4,-0.4 2,-0.5 -3,-0.3 -1,-0.3 0.430 82.7 103.3-103.5 -3.7 97.3 0.5 1.1 121 125 A I S < S- 0 0 17 -3,-2.3 2,-1.4 61,-0.1 61,-0.2 -0.708 78.5-122.5 -87.0 124.2 94.7 -1.3 3.2 122 126 A D - 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