==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 20-JUL-04 1W3U . COMPND 2 MOLECULE: PHOSPHOSERINE AMINOTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS CIRCULANS; . AUTHOR E.G.KAPETANIOU,A.P.DUBNOVITSKY,A.C.PAPAGEORGIOU . 360 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15577.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 248 68.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 26 7.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 28 7.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.6 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 . 0 0.0 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 . 1 0.3 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 . 22 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 46 12.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 112 31.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.9 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 1 0 0 0 1 0 0 3 0 0 1 2 0 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 1 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 PARALLEL BRIDGES PER LADDER . 2 2 0 1 1 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 . 1 1 1 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 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 E 0 0 158 0, 0.0 2,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 11.8 21.6 -24.8 21.1 2 4 A R - 0 0 125 3,-0.0 13,-0.0 0, 0.0 0, 0.0 -0.999 360.0-124.5-111.5 125.6 21.8 -21.6 19.1 3 5 A A - 0 0 60 -2,-0.5 2,-1.6 1,-0.1 317,-0.1 -0.245 21.7-110.9 -61.3 151.0 19.6 -18.9 20.7 4 6 A Y E -a 320 0A 92 315,-1.8 317,-2.7 314,-0.1 2,-0.8 -0.745 49.5-163.6 -80.2 90.4 17.0 -17.1 18.6 5 7 A N E +a 321 0A 38 -2,-1.6 7,-0.3 315,-0.2 317,-0.1 -0.770 33.2 158.2 -95.4 107.5 19.1 -14.0 18.7 6 8 A F + 0 0 0 315,-2.6 329,-0.9 -2,-0.8 -1,-0.1 -0.020 24.3 150.5-110.1 21.7 17.3 -10.8 17.8 7 9 A N - 0 0 62 1,-0.1 5,-0.4 327,-0.1 315,-0.1 -0.227 40.9-145.0 -53.7 147.3 19.7 -8.5 19.6 8 10 A A S S+ 0 0 16 1,-0.3 3,-0.2 3,-0.1 -1,-0.1 0.504 75.5 17.0 -98.8 -4.4 20.0 -5.1 18.0 9 11 A G S S+ 0 0 35 1,-1.9 -1,-0.3 326,-0.1 2,-0.2 -0.117 125.7 31.5 153.8 105.9 23.7 -4.2 18.5 10 12 A P S S+ 0 0 81 0, 0.0 -1,-1.9 0, 0.0 2,-0.2 0.686 100.2 165.9 -56.2 162.8 26.0 -6.2 19.3 11 13 A A - 0 0 10 183,-0.7 -3,-0.1 187,-0.4 -5,-0.1 -0.782 32.6 -39.8-145.7-175.3 24.1 -8.8 17.3 12 14 A A - 0 0 14 -5,-0.4 327,-0.3 -7,-0.3 328,-0.2 -0.229 43.2-159.5 -56.5 142.4 24.3 -12.3 15.7 13 15 A L - 0 0 28 326,-0.1 2,-0.2 325,-0.1 184,-0.0 -0.841 38.9 -90.2-109.4 157.3 27.4 -13.3 13.8 14 16 A P >> - 0 0 8 0, 0.0 4,-2.0 0, 0.0 3,-0.6 -0.489 32.5-131.8 -63.6 136.1 27.2 -16.2 11.3 15 17 A L H 3> S+ 0 0 74 1,-0.2 4,-2.8 324,-0.2 5,-0.2 0.886 107.2 58.7 -55.8 -38.7 27.9 -19.5 13.1 16 18 A E H 3> S+ 0 0 65 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.878 105.4 48.6 -59.1 -38.8 30.3 -20.4 10.4 17 19 A V H <> S+ 0 0 0 -3,-0.6 4,-2.6 2,-0.2 5,-0.3 0.912 110.8 50.6 -66.2 -41.7 32.4 -17.3 11.1 18 20 A L H X S+ 0 0 64 -4,-2.0 4,-2.8 1,-0.2 -2,-0.2 0.917 112.0 48.3 -63.0 -39.6 32.3 -18.0 14.8 19 21 A E H X S+ 0 0 100 -4,-2.8 4,-2.1 2,-0.2 -1,-0.2 0.899 111.4 48.7 -70.7 -36.5 33.5 -21.6 14.1 20 22 A R H X S+ 0 0 79 -4,-2.2 4,-1.6 2,-0.2 -2,-0.2 0.936 114.7 44.3 -66.2 -46.8 36.3 -20.5 11.8 21 23 A A H X S+ 0 0 5 -4,-2.6 4,-0.6 1,-0.2 -2,-0.2 0.911 112.7 52.8 -65.5 -42.3 37.6 -17.9 14.2 22 24 A Q H >< S+ 0 0 148 -4,-2.8 3,-1.2 -5,-0.3 4,-0.4 0.926 106.0 55.6 -53.8 -42.1 37.3 -20.3 17.1 23 25 A A H 3< S+ 0 0 85 -4,-2.1 4,-0.3 1,-0.3 3,-0.2 0.893 119.1 29.2 -67.0 -35.3 39.3 -22.9 15.2 24 26 A E H 3< S+ 0 0 42 -4,-1.6 11,-0.4 1,-0.2 -1,-0.3 0.259 88.9 109.1-106.1 17.3 42.3 -20.7 14.6 25 27 A F S << S+ 0 0 90 -3,-1.2 11,-0.3 -4,-0.6 3,-0.2 0.842 87.7 32.8 -61.2 -40.4 41.9 -18.6 17.8 26 28 A V S S+ 0 0 117 -4,-0.4 2,-0.5 1,-0.3 -1,-0.2 0.901 133.5 22.7 -84.3 -41.4 44.9 -20.0 19.6 27 29 A D S > S- 0 0 67 -4,-0.3 2,-0.6 5,-0.1 3,-0.5 -0.902 73.3-155.0-133.9 104.9 47.2 -20.7 16.6 28 30 A Y G > S- 0 0 14 5,-3.2 3,-2.0 -2,-0.5 5,-0.4 -0.744 74.9 -27.1 -85.2 118.9 46.6 -18.8 13.4 29 31 A Q G 3 S- 0 0 123 -2,-0.6 -1,-0.2 1,-0.3 -5,-0.0 0.839 115.1 -63.9 45.6 48.3 47.8 -20.6 10.3 30 32 A H G < S+ 0 0 179 -3,-0.5 -1,-0.3 1,-0.1 -2,-0.1 0.784 102.1 128.7 51.3 30.5 50.4 -22.5 12.2 31 33 A T S < S- 0 0 54 -3,-2.0 -1,-0.1 2,-0.3 -2,-0.1 0.617 76.0-121.0 -82.9 -16.0 52.3 -19.3 13.1 32 34 A G S S+ 0 0 59 1,-0.3 2,-0.3 -4,-0.1 -5,-0.1 0.697 85.0 87.3 79.5 19.3 52.3 -20.4 16.8 33 35 A M S S- 0 0 78 -5,-0.4 -5,-3.2 5,-0.0 -2,-0.3 -0.979 79.1-117.2-142.6 152.1 50.5 -17.2 17.6 34 36 A S > - 0 0 8 -2,-0.3 3,-2.1 -7,-0.3 4,-0.2 -0.592 35.3-113.4 -75.5 153.1 46.9 -16.1 17.8 35 37 A I G > S+ 0 0 3 -11,-0.4 3,-1.1 1,-0.3 -1,-0.1 0.828 119.7 63.6 -53.7 -28.6 46.0 -13.3 15.3 36 38 A M G 3 S+ 0 0 100 -11,-0.3 -1,-0.3 1,-0.2 205,-0.1 0.655 98.5 52.4 -69.5 -16.0 45.5 -11.3 18.5 37 39 A E G < S+ 0 0 131 -3,-2.1 2,-0.3 2,-0.1 -1,-0.2 0.283 90.9 103.2-104.5 8.1 49.2 -11.6 19.5 38 40 A M S < S- 0 0 24 -3,-1.1 2,-0.2 -4,-0.2 202,-0.1 -0.635 77.7-102.1 -98.7 154.0 50.6 -10.3 16.2 39 41 A S > - 0 0 70 -2,-0.3 3,-1.3 1,-0.1 6,-0.5 -0.438 19.8-138.9 -69.8 136.7 52.0 -7.0 15.3 40 42 A H T 3 S+ 0 0 38 1,-0.2 -1,-0.1 -2,-0.2 9,-0.1 0.660 106.5 52.0 -70.1 -10.2 49.7 -4.7 13.4 41 43 A R T 3 S+ 0 0 152 4,-0.1 -1,-0.2 5,-0.0 2,-0.1 0.360 90.4 104.4-100.9 3.3 52.7 -3.8 11.2 42 44 A G S <> S- 0 0 26 -3,-1.3 4,-2.5 1,-0.1 5,-0.2 -0.425 82.2-116.7 -76.4 155.5 53.5 -7.4 10.4 43 45 A A H > S+ 0 0 86 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.823 110.1 56.3 -64.6 -28.6 52.7 -9.0 7.1 44 46 A V H > S+ 0 0 57 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.954 113.6 37.0 -73.9 -48.0 50.3 -11.6 8.6 45 47 A Y H > S+ 0 0 0 -6,-0.5 4,-2.8 1,-0.2 5,-0.2 0.909 114.5 58.0 -65.5 -42.9 48.0 -9.1 10.2 46 48 A E H X S+ 0 0 35 -4,-2.5 4,-2.9 -7,-0.3 5,-0.4 0.895 99.8 57.0 -58.6 -35.2 48.5 -6.7 7.4 47 49 A A H X S+ 0 0 57 -4,-1.9 4,-2.3 -5,-0.2 -1,-0.2 0.943 111.4 43.1 -59.8 -43.6 47.2 -9.2 4.9 48 50 A V H X S+ 0 0 1 -4,-1.3 4,-2.5 2,-0.2 -2,-0.2 0.955 114.1 51.1 -63.2 -47.7 44.0 -9.5 6.9 49 51 A H H X S+ 0 0 0 -4,-2.8 4,-1.2 1,-0.2 -2,-0.2 0.908 116.6 39.3 -57.0 -46.4 43.8 -5.7 7.4 50 52 A N H X S+ 0 0 68 -4,-2.9 4,-2.3 -5,-0.2 -1,-0.2 0.863 112.0 56.5 -74.6 -37.9 44.2 -4.9 3.7 51 53 A E H X S+ 0 0 57 -4,-2.3 4,-3.3 -5,-0.4 5,-0.3 0.910 103.3 55.7 -58.5 -41.5 42.0 -7.9 2.5 52 54 A A H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.942 108.2 48.0 -60.8 -43.5 39.1 -6.6 4.6 53 55 A Q H X S+ 0 0 13 -4,-1.2 4,-2.5 -5,-0.2 -1,-0.2 0.956 114.0 45.7 -60.9 -47.9 39.3 -3.2 2.8 54 56 A A H X S+ 0 0 58 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.921 112.6 50.0 -63.7 -42.3 39.4 -4.8 -0.6 55 57 A R H X S+ 0 0 57 -4,-3.3 4,-2.2 2,-0.2 -1,-0.2 0.891 109.3 52.2 -64.2 -36.4 36.6 -7.2 0.1 56 58 A L H X S+ 0 0 0 -4,-2.2 4,-1.1 -5,-0.3 -2,-0.2 0.975 112.2 44.7 -63.5 -50.2 34.4 -4.4 1.4 57 59 A L H ><>S+ 0 0 23 -4,-2.5 5,-3.0 1,-0.2 3,-0.5 0.866 110.4 55.7 -58.8 -37.4 35.0 -2.4 -1.7 58 60 A A H ><5S+ 0 0 62 -4,-2.5 3,-1.8 1,-0.3 -1,-0.2 0.886 101.0 56.9 -66.5 -38.3 34.4 -5.4 -3.9 59 61 A L H 3<5S+ 0 0 26 -4,-2.2 200,-0.4 1,-0.3 -1,-0.3 0.837 108.2 50.4 -58.7 -29.2 31.1 -6.0 -2.3 60 62 A L T <<5S- 0 0 17 -4,-1.1 123,-0.3 -3,-0.5 -1,-0.3 0.147 130.2 -91.3 -96.4 15.6 30.2 -2.5 -3.4 61 63 A G T < 5 - 0 0 66 -3,-1.8 -3,-0.2 1,-0.2 -2,-0.1 0.579 58.5 -96.0 89.5 6.8 31.3 -2.8 -7.1 62 64 A N < - 0 0 102 -5,-3.0 -1,-0.2 -6,-0.2 -4,-0.1 0.896 53.0-168.6 51.1 54.9 34.8 -1.6 -6.4 63 65 A P > - 0 0 21 0, 0.0 3,-0.5 0, 0.0 -1,-0.1 -0.436 21.3-116.8 -71.5 146.0 34.3 2.1 -7.3 64 66 A T T 3 S+ 0 0 129 1,-0.2 3,-0.1 -2,-0.1 -2,-0.0 -0.393 87.4 41.8 -80.8 159.1 37.5 4.0 -7.5 65 67 A G T 3 S+ 0 0 36 1,-0.3 144,-2.7 -2,-0.1 145,-0.4 0.561 85.1 113.3 90.3 8.4 38.6 6.9 -5.3 66 68 A Y E < -B 208 0B 10 -3,-0.5 2,-0.4 142,-0.2 -1,-0.3 -0.936 47.8-157.4-117.9 140.8 37.3 5.5 -2.0 67 69 A K E -B 207 0B 40 140,-2.7 140,-2.7 -2,-0.4 2,-0.6 -0.952 11.9-141.1-117.5 132.7 39.3 4.4 1.0 68 70 A V E -B 206 0B 0 -2,-0.4 2,-0.3 138,-0.2 138,-0.2 -0.837 24.9-169.8 -89.7 120.7 38.1 2.0 3.6 69 71 A L E -B 205 0B 0 136,-3.3 136,-2.6 -2,-0.6 2,-0.6 -0.846 18.2-148.2-110.6 151.1 39.1 3.1 7.1 70 72 A F E +B 204 0B 3 -2,-0.3 2,-0.4 134,-0.2 134,-0.2 -0.978 28.1 173.9-117.8 113.0 38.9 1.3 10.4 71 73 A I E -B 203 0B 2 132,-3.0 132,-2.6 -2,-0.6 3,-0.4 -0.928 23.2-134.0-123.2 144.2 38.4 3.7 13.2 72 74 A Q S S+ 0 0 91 -2,-0.4 130,-0.1 130,-0.2 120,-0.0 -0.400 73.7 66.6 -85.3 171.5 37.7 3.1 16.9 73 75 A G S > S- 0 0 42 128,-0.1 4,-1.0 -2,-0.1 -1,-0.2 0.417 93.3-106.2 103.1 -1.8 35.1 4.8 19.0 74 76 A G H >> - 0 0 20 -3,-0.4 4,-1.2 2,-0.2 3,-0.7 0.036 50.6 -61.3 73.3 176.2 31.9 3.5 17.4 75 77 A A H 3> S+ 0 0 12 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.861 132.4 67.9 -62.6 -31.3 29.5 5.4 15.2 76 78 A S H 3> S+ 0 0 69 1,-0.3 4,-0.6 2,-0.2 -1,-0.2 0.861 97.3 51.2 -60.8 -33.6 29.0 7.7 18.1 77 79 A T H XX S+ 0 0 52 -4,-1.0 4,-2.9 -3,-0.7 3,-1.1 0.876 104.4 57.6 -71.1 -32.8 32.5 9.0 17.7 78 80 A Q H 3X S+ 0 0 0 -4,-1.2 4,-2.7 1,-0.3 -1,-0.2 0.828 92.2 69.9 -60.9 -31.2 31.9 9.6 14.0 79 81 A F H 3< S+ 0 0 7 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.867 113.4 28.8 -55.7 -31.7 29.0 11.9 15.0 80 82 A A H S+ 0 0 0 0, 0.0 4,-2.8 0, 0.0 -2,-0.2 0.906 112.9 61.4 -65.6 -34.0 31.7 17.7 11.6 84 86 A M H < S+ 0 0 45 -4,-2.7 -2,-0.2 1,-0.2 -3,-0.2 0.916 115.9 32.7 -53.3 -38.5 35.2 18.1 13.2 85 87 A N H < S+ 0 0 7 -4,-2.1 -1,-0.2 -3,-0.3 -3,-0.2 0.839 134.0 24.6 -86.3 -32.5 36.6 17.3 9.8 86 88 A F H < S+ 0 0 20 -4,-2.6 2,-1.6 -5,-0.2 -2,-0.2 0.620 92.6 90.0-112.6 -14.5 34.0 18.8 7.4 87 89 A L < - 0 0 15 -4,-2.8 -1,-0.1 -5,-0.3 3,-0.1 -0.619 60.5-173.3 -91.5 82.5 32.1 21.6 9.2 88 90 A K > - 0 0 131 -2,-1.6 3,-2.5 1,-0.1 54,-0.1 -0.292 37.8 -84.0 -71.3 152.3 34.3 24.6 8.3 89 91 A E T 3 S+ 0 0 111 1,-0.3 -1,-0.1 24,-0.1 3,-0.1 -0.385 120.0 25.0 -56.7 137.5 33.6 27.9 9.9 90 92 A G T 3 S+ 0 0 60 1,-0.4 -1,-0.3 -3,-0.1 2,-0.2 0.288 105.4 100.6 87.5 -5.5 30.9 29.7 7.9 91 93 A Q < - 0 0 45 -3,-2.5 23,-0.5 50,-0.0 2,-0.4 -0.696 64.5-135.7-107.7 166.0 29.5 26.4 6.6 92 94 A T E -cd 114 141B 32 48,-2.2 50,-2.6 -2,-0.2 51,-0.7 -0.985 7.9-136.5-125.3 130.2 26.4 24.6 7.9 93 95 A A E -cd 115 143B 0 21,-2.9 23,-2.5 -2,-0.4 2,-0.4 -0.797 25.5-152.1 -82.5 119.8 26.1 20.9 8.6 94 96 A N E -cd 116 144B 2 49,-2.5 51,-3.0 -2,-0.6 2,-0.4 -0.847 11.6-166.1-100.2 135.3 22.7 19.8 7.2 95 97 A Y E -cd 117 145B 1 21,-2.6 23,-2.1 -2,-0.4 24,-1.1 -0.932 21.2-141.4-121.2 143.0 20.9 16.8 8.8 96 98 A V E -c 119 0B 0 49,-2.7 2,-0.9 -2,-0.4 51,-0.2 -0.884 26.8-146.5 -93.5 119.8 18.0 14.7 7.7 97 99 A M E +c 120 0B 13 22,-3.1 24,-2.4 -2,-0.6 25,-0.4 -0.781 38.9 147.8-101.6 103.2 16.0 14.0 10.9 98 100 A T - 0 0 0 -2,-0.9 2,-0.3 1,-0.2 -1,-0.2 0.233 62.9 -65.9-120.0 10.0 14.4 10.6 10.9 99 101 A G S > S- 0 0 1 1,-0.1 4,-2.5 53,-0.0 -1,-0.2 -0.983 88.2 -12.5 139.2-151.2 14.5 9.5 14.5 100 102 A S H > S+ 0 0 32 -2,-0.3 4,-1.7 1,-0.2 5,-0.1 0.854 127.1 42.4 -66.5 -39.5 16.8 8.6 17.4 101 103 A W H > S+ 0 0 56 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.897 113.1 52.7 -82.4 -32.3 20.1 8.2 15.6 102 104 A A H > S+ 0 0 0 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.936 109.4 51.8 -57.1 -44.4 19.7 11.2 13.4 103 105 A S H X S+ 0 0 47 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.893 108.2 49.8 -61.2 -38.9 19.0 13.2 16.6 104 106 A K H X S+ 0 0 101 -4,-1.7 4,-1.6 2,-0.2 -1,-0.2 0.899 111.4 49.9 -63.1 -39.5 22.1 11.9 18.3 105 107 A A H X S+ 0 0 0 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.936 110.3 49.0 -68.3 -43.2 24.1 12.9 15.2 106 108 A L H X S+ 0 0 14 -4,-2.9 4,-2.3 1,-0.2 -1,-0.2 0.926 106.4 57.0 -58.7 -47.0 22.7 16.4 15.0 107 109 A K H X S+ 0 0 114 -4,-2.3 4,-0.8 1,-0.2 -1,-0.2 0.895 108.7 46.1 -53.6 -42.4 23.3 17.0 18.7 108 110 A E H >X S+ 0 0 54 -4,-1.6 3,-0.8 1,-0.2 4,-0.7 0.903 107.9 56.1 -66.9 -42.2 27.0 16.3 18.3 109 111 A A H >X S+ 0 0 0 -4,-1.9 4,-2.0 1,-0.2 3,-1.6 0.897 99.4 61.4 -59.4 -38.2 27.3 18.4 15.2 110 112 A K H 3< S+ 0 0 128 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.825 97.3 58.5 -61.2 -26.4 26.0 21.4 17.2 111 113 A L H << S+ 0 0 130 -3,-0.8 -1,-0.3 -4,-0.8 -2,-0.2 0.786 112.1 41.7 -66.2 -25.6 28.9 21.2 19.5 112 114 A I H << S- 0 0 65 -3,-1.6 2,-0.3 -4,-0.7 -2,-0.2 0.755 124.3 -53.5 -97.9 -31.1 31.2 21.7 16.6 113 115 A G S < S- 0 0 26 -4,-2.0 -1,-0.3 -24,-0.0 2,-0.2 -0.975 81.4 -18.8 177.5-164.6 29.5 24.3 14.5 114 116 A D E -c 92 0B 99 -23,-0.5 -21,-2.9 -2,-0.3 2,-0.3 -0.435 56.4-174.1 -70.8 133.4 26.4 25.6 12.7 115 117 A T E -c 93 0B 38 -23,-0.3 2,-0.3 -2,-0.2 -21,-0.2 -0.796 11.2-166.1-122.1 163.5 23.7 23.0 11.8 116 118 A H E -c 94 0B 80 -23,-2.5 -21,-2.6 -2,-0.3 2,-0.8 -0.968 23.5-129.9-148.8 140.0 20.5 22.9 9.9 117 119 A V E +c 95 0B 62 -2,-0.3 -21,-0.2 -23,-0.2 3,-0.1 -0.816 26.3 178.5 -85.1 110.7 17.6 20.5 9.7 118 120 A A E - 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