==== 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 ISOMERASE 01-AUG-01 1JPD . COMPND 2 MOLECULE: L-ALA-D/L-GLU EPIMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR A.M.GULICK,D.M.Z.SCHMIDT,J.A.GERLT,I.RAYMENT . 318 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13876.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 213 67.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 32 10.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 29 9.1 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 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 22 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 82 25.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 2.5 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 2 2 0 2 0 1 1 1 0 2 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 3 2 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 0 PARALLEL BRIDGES PER LADDER . 1 0 2 0 0 0 1 0 0 1 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 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 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 -2 X G 0 0 81 0, 0.0 3,-0.3 0, 0.0 69,-0.1 0.000 360.0 360.0 360.0 -88.4 56.6 5.2 10.7 2 -1 X S + 0 0 107 1,-0.2 2,-0.3 67,-0.1 68,-0.1 0.646 360.0 40.0 -68.8 -16.5 57.3 6.4 14.2 3 0 X H S S+ 0 0 71 66,-0.4 2,-0.4 2,-0.0 -1,-0.2 -0.775 70.4 177.8-138.4 91.6 53.7 7.6 14.6 4 1 X M - 0 0 111 -2,-0.3 2,-0.3 -3,-0.3 65,-0.2 -0.777 13.4-175.2 -95.0 138.2 50.9 5.4 13.1 5 2 X R - 0 0 28 63,-1.5 2,-0.4 -2,-0.4 29,-0.2 -0.914 24.3-138.3-135.4 160.8 47.3 6.5 13.5 6 3 X T E -A 33 0A 75 27,-1.1 27,-1.4 -2,-0.3 2,-0.4 -0.925 22.6-150.3-115.0 139.5 43.7 5.5 13.0 7 4 X V E -A 32 0A 30 -2,-0.4 2,-0.4 25,-0.2 25,-0.2 -0.935 13.0-175.8-118.9 134.4 41.1 8.1 11.7 8 5 X K E -A 31 0A 101 23,-2.1 23,-2.8 -2,-0.4 2,-0.5 -0.995 5.7-173.0-126.6 126.3 37.4 8.2 12.3 9 6 X V E +A 30 0A 32 -2,-0.4 2,-0.3 21,-0.2 21,-0.2 -0.982 12.2 164.1-122.6 125.8 35.3 10.9 10.7 10 7 X F E -A 29 0A 71 19,-2.3 19,-3.3 -2,-0.5 2,-0.3 -1.000 29.0-129.0-146.4 148.6 31.6 11.4 11.5 11 8 X E E -A 28 0A 92 -2,-0.3 2,-0.4 17,-0.2 17,-0.2 -0.721 20.1-170.5 -97.1 140.6 28.9 14.0 11.0 12 9 X E E -A 27 0A 49 15,-3.1 15,-3.1 -2,-0.3 2,-0.8 -0.974 12.2-164.3-136.5 124.1 26.7 15.4 13.8 13 10 X A E -A 26 0A 36 -2,-0.4 13,-0.2 13,-0.2 -2,-0.0 -0.848 17.4-161.5-107.2 99.6 23.6 17.6 13.6 14 11 X W E -A 25 0A 40 11,-2.2 11,-2.8 -2,-0.8 -2,-0.0 -0.670 19.0-119.3 -85.6 128.4 22.9 19.1 17.0 15 12 X P E -A 24 0A 65 0, 0.0 288,-1.9 0, 0.0 289,-0.5 -0.222 25.2-134.7 -61.5 150.7 19.4 20.5 17.7 16 13 X L B -C 302 0B 25 7,-1.8 286,-0.2 286,-0.3 285,-0.1 -0.719 14.7-122.4-106.3 157.9 19.0 24.2 18.6 17 14 X H S S+ 0 0 127 284,-1.6 -1,-0.1 -2,-0.3 285,-0.1 0.936 97.9 5.2 -60.3 -49.7 16.9 25.7 21.4 18 15 X T 0 0 103 283,-0.3 -1,-0.2 -3,-0.0 285,-0.0 -0.947 360.0 360.0-135.2 153.7 15.0 27.9 18.9 19 16 X P 0 0 142 0, 0.0 4,-0.2 0, 0.0 3,-0.1 -0.246 360.0 360.0 -52.1 360.0 15.0 28.1 15.0 20 ! 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 21 23 X S 0 0 84 0, 0.0 4,-0.1 0, 0.0 -5,-0.0 0.000 360.0 360.0 360.0 160.1 21.8 27.1 10.8 22 24 X R - 0 0 84 1,-0.2 3,-0.1 -3,-0.1 -6,-0.0 0.954 360.0 -21.0 -47.7 -79.6 18.0 26.7 10.5 23 25 X S S S+ 0 0 74 -4,-0.2 -7,-1.8 1,-0.2 2,-0.3 0.492 130.5 38.6-116.7 -4.6 17.0 24.2 13.2 24 26 X E E -A 15 0A 62 -9,-0.2 2,-0.8 278,-0.1 -1,-0.2 -0.999 68.7-126.3-151.9 145.2 20.4 22.5 13.8 25 27 X A E -A 14 0A 2 -11,-2.8 -11,-2.2 -2,-0.3 2,-0.6 -0.789 30.9-150.5 -90.2 110.5 24.1 23.1 14.1 26 28 X R E +A 13 0A 106 -2,-0.8 2,-0.3 -13,-0.2 -13,-0.2 -0.732 22.2 172.6 -89.3 119.4 25.9 20.8 11.7 27 29 X V E -A 12 0A 0 -15,-3.1 -15,-3.1 -2,-0.6 2,-0.5 -0.893 25.6-142.2-125.3 154.2 29.4 19.7 12.8 28 30 X V E -AB 11 43A 0 15,-2.2 15,-1.3 -2,-0.3 2,-0.4 -0.961 19.1-156.6-115.7 128.1 31.9 17.3 11.5 29 31 X V E -AB 10 42A 0 -19,-3.3 -19,-2.3 -2,-0.5 2,-0.4 -0.836 6.8-165.8-108.3 143.4 34.0 15.4 14.1 30 32 X V E -AB 9 41A 0 11,-2.5 11,-2.7 -2,-0.4 2,-0.5 -0.978 3.0-166.7-129.3 119.5 37.5 13.8 13.6 31 33 X E E -AB 8 40A 31 -23,-2.8 -23,-2.1 -2,-0.4 2,-0.3 -0.921 6.0-166.7-109.2 122.6 38.9 11.4 16.1 32 34 X L E -AB 7 39A 0 7,-3.9 7,-3.2 -2,-0.5 2,-0.4 -0.812 3.9-158.0-106.4 148.5 42.6 10.5 15.8 33 35 X E E +AB 6 38A 39 -27,-1.4 -27,-1.1 -2,-0.3 2,-1.0 -0.875 16.9 177.7-135.5 105.0 44.2 7.5 17.6 34 36 X E E > S- B 0 37A 2 3,-1.9 3,-0.7 -2,-0.4 -29,-0.1 -0.570 78.6 -62.7-100.3 64.1 48.0 7.4 18.3 35 37 X E T 3 S- 0 0 153 -2,-1.0 2,-1.0 1,-0.2 -1,-0.2 0.968 117.4 -12.4 52.8 95.3 47.7 4.1 20.2 36 38 X G T 3 S+ 0 0 64 1,-0.1 2,-0.4 -3,-0.1 -1,-0.2 -0.195 118.5 92.8 85.4 -45.0 45.5 4.4 23.3 37 39 X I E < -B 34 0A 59 -2,-1.0 -3,-1.9 -3,-0.7 2,-0.4 -0.703 63.7-156.7 -86.9 129.7 45.6 8.2 23.1 38 40 X K E -B 33 0A 90 -2,-0.4 2,-0.5 -5,-0.2 -5,-0.2 -0.881 5.5-160.7-109.0 137.4 42.7 9.8 21.2 39 41 X G E -B 32 0A 0 -7,-3.2 -7,-3.9 -2,-0.4 2,-0.5 -0.968 10.7-165.8-116.0 125.4 42.7 13.2 19.6 40 42 X T E +B 31 0A 39 -2,-0.5 2,-0.4 -9,-0.2 -9,-0.2 -0.944 9.0 177.6-119.4 129.1 39.4 14.8 18.8 41 43 X G E -B 30 0A 2 -11,-2.7 -11,-2.5 -2,-0.5 2,-0.3 -0.989 7.5-164.9-129.2 132.6 38.8 17.8 16.6 42 44 X E E +B 29 0A 5 -2,-0.4 2,-0.3 -13,-0.2 -13,-0.2 -0.792 8.7 175.4-113.9 157.7 35.5 19.4 15.7 43 45 X C E -B 28 0A 0 -15,-1.3 -15,-2.2 -2,-0.3 41,-0.1 -0.978 24.9-136.2-154.0 162.9 34.5 21.9 13.0 44 46 X T - 0 0 16 -2,-0.3 -17,-0.2 -17,-0.2 40,-0.1 -0.905 27.7-126.8-127.8 102.4 31.5 23.6 11.5 45 47 X P - 0 0 9 0, 0.0 -19,-0.1 0, 0.0 8,-0.1 -0.227 24.4-133.7 -48.8 128.5 31.3 23.8 7.7 46 48 X Y > > - 0 0 32 1,-0.2 3,-2.2 201,-0.2 5,-1.0 -0.773 15.5-165.3 -93.0 100.6 30.7 27.4 6.8 47 49 X P G > 5S+ 0 0 104 0, 0.0 3,-2.7 0, 0.0 4,-0.3 0.925 86.2 62.8 -48.5 -52.0 27.9 27.7 4.2 48 50 X R G 3 5S+ 0 0 97 1,-0.3 -2,-0.0 2,-0.1 0, 0.0 0.547 106.0 47.2 -54.7 -6.8 28.9 31.3 3.3 49 51 X Y G < 5S- 0 0 59 -3,-2.2 -1,-0.3 2,-0.2 -3,-0.1 0.134 126.2 -92.1-122.0 18.0 32.3 30.0 2.1 50 52 X G T < 5S+ 0 0 66 -3,-2.7 2,-0.4 1,-0.2 -2,-0.1 0.874 81.6 129.5 77.1 40.1 31.2 27.1 -0.0 51 53 X E < + 0 0 24 -5,-1.0 2,-0.3 -4,-0.3 -1,-0.2 -0.958 25.5 170.7-127.9 146.3 31.3 24.3 2.5 52 54 X S > - 0 0 61 -2,-0.4 4,-2.5 1,-0.1 5,-0.3 -0.845 52.0 -97.2-138.7 170.8 28.8 21.6 3.5 53 55 X D H > S+ 0 0 13 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.922 127.8 47.8 -60.9 -40.6 29.2 18.6 5.7 54 56 X A H > S+ 0 0 74 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.934 111.4 50.9 -62.2 -46.8 29.7 16.4 2.5 55 57 X S H > S+ 0 0 44 1,-0.2 4,-1.4 2,-0.2 -2,-0.2 0.884 114.7 41.9 -57.7 -45.2 32.2 18.9 1.1 56 58 X V H X S+ 0 0 0 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.850 111.6 54.1 -74.4 -36.4 34.3 19.1 4.3 57 59 X M H X S+ 0 0 43 -4,-2.4 4,-2.7 -5,-0.3 5,-0.2 0.914 106.7 53.6 -65.1 -39.2 34.2 15.3 4.9 58 60 X A H X S+ 0 0 61 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.921 107.6 50.3 -59.9 -44.1 35.5 14.8 1.4 59 61 X Q H < S+ 0 0 46 -4,-1.4 4,-0.3 1,-0.2 -1,-0.2 0.887 111.6 48.4 -62.4 -39.1 38.4 17.1 2.1 60 62 X I H >< S+ 0 0 0 -4,-2.0 3,-2.0 2,-0.2 4,-0.2 0.952 110.9 48.8 -67.2 -48.9 39.3 15.2 5.3 61 63 X M H >< S+ 0 0 96 -4,-2.7 3,-3.3 1,-0.3 -2,-0.2 0.943 100.5 67.1 -53.9 -49.3 39.1 11.8 3.7 62 64 X S T 3< S+ 0 0 72 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.683 110.9 35.2 -45.9 -20.8 41.3 13.0 0.9 63 65 X V T <> S+ 0 0 0 -3,-2.0 4,-1.3 -4,-0.3 -1,-0.3 0.277 86.2 101.4-121.2 12.1 44.1 13.3 3.5 64 66 X V H <> S+ 0 0 17 -3,-3.3 4,-1.5 -4,-0.2 3,-0.4 0.928 80.6 55.0 -60.2 -47.7 43.3 10.3 5.7 65 67 X P H > S+ 0 0 62 0, 0.0 4,-1.0 0, 0.0 3,-0.5 0.916 111.0 44.7 -52.4 -46.7 46.1 8.2 4.2 66 68 X Q H 4>S+ 0 0 82 1,-0.2 5,-1.4 2,-0.2 4,-0.2 0.738 107.9 59.8 -70.0 -24.0 48.7 10.9 5.0 67 69 X L H <5S+ 0 0 0 -4,-1.3 3,-0.5 -3,-0.4 -1,-0.2 0.791 102.3 53.5 -73.0 -29.7 47.2 11.2 8.5 68 70 X E H <5S+ 0 0 73 -4,-1.5 -63,-1.5 -3,-0.5 -2,-0.2 0.782 101.0 57.1 -76.4 -30.8 47.9 7.6 9.2 69 71 X K T <5S- 0 0 132 -4,-1.0 -66,-0.4 -65,-0.2 -1,-0.2 0.524 133.3 -84.8 -78.8 -5.3 51.6 7.8 8.3 70 72 X G T 5 - 0 0 10 -3,-0.5 -3,-0.2 -4,-0.2 -2,-0.2 0.732 52.2-167.7 110.4 29.4 52.0 10.5 10.9 71 73 X L < - 0 0 10 -5,-1.4 -1,-0.1 4,-0.1 2,-0.0 -0.256 16.0-148.5 -51.1 114.7 51.0 13.8 9.3 72 74 X T > - 0 0 56 -2,-0.1 4,-1.7 1,-0.1 -1,-0.1 -0.275 24.2-106.7 -81.1 173.0 52.1 16.6 11.7 73 75 X R H > S+ 0 0 76 1,-0.2 4,-1.2 2,-0.2 -1,-0.1 0.873 120.2 55.0 -67.1 -38.1 50.4 19.9 12.2 74 76 X E H 4 S+ 0 0 137 1,-0.2 4,-0.4 2,-0.2 3,-0.3 0.890 110.3 45.9 -63.7 -37.5 53.2 21.7 10.4 75 77 X E H >> S+ 0 0 97 1,-0.2 3,-1.0 2,-0.2 4,-0.8 0.817 104.6 62.7 -73.8 -31.6 52.7 19.4 7.4 76 78 X L H 3X S+ 0 0 0 -4,-1.7 4,-1.7 1,-0.2 3,-0.4 0.798 90.8 66.5 -64.0 -30.9 48.9 19.8 7.4 77 79 X Q H 3< S+ 0 0 39 -4,-1.2 -1,-0.2 -3,-0.3 -2,-0.2 0.766 104.7 44.1 -62.7 -26.9 49.1 23.5 6.7 78 80 X K H <4 S+ 0 0 163 -3,-1.0 -1,-0.2 -4,-0.4 -2,-0.2 0.671 111.5 53.5 -93.3 -18.6 50.5 22.9 3.3 79 81 X I H < S+ 0 0 67 -4,-0.8 -2,-0.2 -3,-0.4 -3,-0.1 0.961 110.6 32.5 -80.3 -58.9 48.1 20.1 2.3 80 82 X L S < S- 0 0 14 -4,-1.7 -1,-0.1 170,-0.1 2,-0.1 -0.694 81.3-118.3-102.4 154.3 44.7 21.5 2.9 81 83 X P - 0 0 82 0, 0.0 5,-0.5 0, 0.0 2,-0.1 -0.399 48.7 -76.7 -82.5 166.3 43.5 25.1 2.4 82 84 X A S S+ 0 0 42 -2,-0.1 2,-0.3 4,-0.1 168,-0.2 -0.428 86.7 95.9 -63.2 135.5 42.1 27.2 5.4 83 85 X G S > S- 0 0 5 163,-0.3 4,-2.0 -2,-0.1 165,-0.1 -0.942 88.9 -59.5 164.4 180.0 38.6 26.1 6.1 84 86 X A H > S+ 0 0 0 -2,-0.3 4,-2.2 1,-0.2 5,-0.2 0.860 125.2 56.1 -55.7 -40.8 36.4 23.8 8.3 85 87 X A H > S+ 0 0 0 1,-0.2 4,-1.9 2,-0.2 3,-0.2 0.973 110.0 42.7 -58.2 -56.8 38.1 20.6 7.1 86 88 X R H > S+ 0 0 15 -5,-0.5 4,-3.3 1,-0.2 5,-0.3 0.858 110.3 60.4 -59.9 -31.9 41.6 21.7 8.1 87 89 X N H X S+ 0 0 3 -4,-2.0 4,-2.5 2,-0.2 165,-0.3 0.931 104.3 47.1 -61.4 -46.9 40.2 23.1 11.3 88 90 X A H X S+ 0 0 0 -4,-2.2 4,-2.5 -3,-0.2 -1,-0.2 0.936 117.7 42.8 -61.0 -45.8 38.9 19.7 12.4 89 91 X L H X S+ 0 0 0 -4,-1.9 4,-2.7 2,-0.2 -2,-0.2 0.938 114.0 49.1 -66.7 -47.7 42.2 18.0 11.6 90 92 X D H X S+ 0 0 0 -4,-3.3 4,-1.9 1,-0.2 -2,-0.2 0.927 115.9 44.4 -58.6 -44.7 44.5 20.7 13.0 91 93 X C H X S+ 0 0 8 -4,-2.5 4,-2.4 -5,-0.3 -1,-0.2 0.902 110.9 53.7 -68.1 -39.6 42.4 20.7 16.3 92 94 X A H X S+ 0 0 0 -4,-2.5 4,-2.0 -5,-0.3 -2,-0.2 0.900 109.7 49.1 -61.1 -39.3 42.4 16.9 16.4 93 95 X L H X S+ 0 0 4 -4,-2.7 4,-2.5 2,-0.2 -1,-0.2 0.875 110.4 50.0 -67.1 -38.5 46.2 16.9 16.1 94 96 X W H X S+ 0 0 34 -4,-1.9 4,-1.4 2,-0.2 -2,-0.2 0.899 110.2 50.5 -65.5 -41.4 46.6 19.5 18.9 95 97 X D H X S+ 0 0 42 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.917 113.4 46.0 -61.8 -44.1 44.3 17.5 21.1 96 98 X L H X S+ 0 0 4 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.879 109.8 53.3 -66.2 -41.5 46.4 14.4 20.4 97 99 X A H < S+ 0 0 10 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.764 113.1 44.6 -67.5 -23.9 49.7 16.2 21.0 98 100 X A H ><>S+ 0 0 1 -4,-1.4 5,-2.1 -3,-0.2 3,-1.3 0.858 112.2 48.8 -87.8 -38.9 48.5 17.4 24.4 99 101 X R H ><5S+ 0 0 131 -4,-2.2 3,-1.6 1,-0.3 -2,-0.2 0.835 103.1 63.1 -69.0 -31.8 47.0 14.1 25.6 100 102 X R T 3<5S+ 0 0 102 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.1 0.387 111.3 39.1 -73.3 5.8 50.2 12.4 24.6 101 103 X Q T < 5S- 0 0 103 -3,-1.3 -1,-0.3 2,-0.2 -2,-0.2 0.168 112.3-119.7-134.9 9.5 51.9 14.6 27.2 102 104 X Q T < 5S+ 0 0 191 -3,-1.6 2,-0.3 1,-0.2 -3,-0.2 0.915 72.9 121.2 47.5 53.4 49.2 14.4 29.7 103 105 X Q < - 0 0 69 -5,-2.1 2,-0.3 -6,-0.0 -1,-0.2 -0.893 67.2-103.8-136.3 166.7 48.6 18.2 29.7 104 106 X S >> - 0 0 57 -2,-0.3 4,-2.4 1,-0.1 3,-0.7 -0.665 38.3-110.1 -90.7 149.4 45.8 20.5 28.9 105 107 X L H 3> S+ 0 0 33 -2,-0.3 4,-2.1 1,-0.3 5,-0.2 0.869 120.6 56.5 -44.7 -42.0 45.8 22.3 25.6 106 108 X A H 3>>S+ 0 0 11 1,-0.2 4,-2.7 2,-0.2 5,-2.1 0.913 108.5 44.3 -59.0 -46.2 46.6 25.5 27.5 107 109 X D H <45S+ 0 0 99 -3,-0.7 -1,-0.2 3,-0.2 -2,-0.2 0.858 107.9 57.9 -69.9 -35.0 49.7 24.1 29.2 108 110 X L H <5S+ 0 0 39 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.956 114.7 38.2 -58.6 -48.2 51.0 22.5 26.0 109 111 X I H <5S- 0 0 50 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.902 112.9-127.6 -67.3 -41.2 51.0 26.0 24.4 110 112 X G T <5 + 0 0 59 -4,-2.7 2,-0.3 1,-0.3 -3,-0.2 0.750 61.6 129.1 98.1 29.4 52.1 27.4 27.7 111 113 X I < - 0 0 41 -5,-2.1 2,-0.5 0, 0.0 -1,-0.3 -0.786 55.0-120.9-112.6 159.1 49.5 30.1 28.2 112 114 X T - 0 0 120 -2,-0.3 -5,-0.0 174,-0.1 0, 0.0 -0.870 17.3-150.2-105.3 129.4 47.3 30.8 31.3 113 115 X L - 0 0 50 -2,-0.5 4,-0.0 175,-0.1 172,-0.0 -0.812 19.1-126.2 -97.5 131.7 43.6 30.7 31.1 114 116 X P - 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