==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 13-MAR-06 2GC6 . COMPND 2 MOLECULE: FOLYLPOLYGLUTAMATE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: LACTOBACILLUS CASEI; . AUTHOR C.A.SMITH,J.A.CROSS,A.L.BOGNAR,X.SUN . 407 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18095.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 282 69.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 41 10.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 28 6.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 4 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 27 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 138 33.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.7 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 0 0 3 1 1 1 0 3 1 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 3 5 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 2 0 0 2 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 0 1 0 1 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 1 A M 0 0 83 0, 0.0 97,-0.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 150.9 22.2 -14.7 6.4 2 2 A N > - 0 0 86 1,-0.0 4,-1.8 92,-0.0 5,-0.1 -0.224 360.0 -86.9 -85.2-172.7 20.1 -17.5 8.1 3 3 A Y H > S+ 0 0 44 2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.898 127.8 49.2 -65.3 -43.4 17.1 -16.8 10.2 4 4 A T H > S+ 0 0 104 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.918 113.2 46.4 -62.5 -43.4 19.1 -16.4 13.5 5 5 A E H > S+ 0 0 101 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.807 109.6 56.4 -67.7 -34.0 21.6 -14.0 11.8 6 6 A T H X S+ 0 0 1 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.898 106.7 46.7 -65.2 -46.5 18.7 -12.0 10.3 7 7 A V H X S+ 0 0 25 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.910 112.7 52.1 -63.5 -41.4 16.9 -11.3 13.6 8 8 A A H X S+ 0 0 61 -4,-1.7 4,-0.7 1,-0.2 -2,-0.2 0.884 106.5 53.3 -61.2 -41.3 20.3 -10.3 15.0 9 9 A Y H >< S+ 0 0 37 -4,-2.1 3,-0.8 2,-0.2 4,-0.3 0.909 108.1 51.0 -58.9 -43.5 20.9 -7.9 12.1 10 10 A I H >< S+ 0 0 2 -4,-1.9 3,-1.3 1,-0.2 -2,-0.2 0.946 109.1 49.5 -61.3 -49.0 17.5 -6.2 12.8 11 11 A H H 3< S+ 0 0 87 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.571 98.1 72.1 -69.5 -6.2 18.3 -5.7 16.5 12 12 A S T << + 0 0 84 -3,-0.8 -1,-0.2 -4,-0.7 -2,-0.2 0.544 69.8 116.9 -86.4 -8.6 21.7 -4.2 15.6 13 13 A F < - 0 0 21 -3,-1.3 105,-0.2 -4,-0.3 104,-0.1 -0.236 62.7-112.8 -68.1 151.7 20.3 -0.8 14.2 14 14 A P - 0 0 49 0, 0.0 104,-1.0 0, 0.0 2,-0.5 0.023 16.0-111.8 -78.3 179.3 21.2 2.5 15.9 15 15 A R + 0 0 100 102,-0.2 2,-0.3 103,-0.1 102,-0.0 -0.982 49.8 152.0-109.3 123.7 19.2 5.2 17.8 16 16 A L 0 0 65 -2,-0.5 101,-0.2 99,-0.0 99,-0.0 -0.894 360.0 360.0-160.8 125.3 19.0 8.5 15.9 17 17 A A 0 0 145 -2,-0.3 -2,-0.0 100,-0.0 0, 0.0 -0.620 360.0 360.0-147.6 360.0 16.7 11.5 15.6 18 ! 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 19 21 A D 0 0 158 0, 0.0 3,-0.2 0, 0.0 129,-0.0 0.000 360.0 360.0 360.0 174.7 10.6 15.1 9.8 20 22 A H > + 0 0 34 1,-0.1 4,-2.4 2,-0.1 5,-0.3 -0.052 360.0 131.8-111.8 30.2 10.5 11.6 8.3 21 23 A R H > + 0 0 153 1,-0.2 4,-1.8 2,-0.2 -1,-0.1 0.828 67.9 47.8 -61.0 -39.2 13.4 12.1 5.9 22 24 A R H > S+ 0 0 60 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.939 115.3 42.2 -68.5 -48.9 15.4 8.9 6.7 23 25 A I H > S+ 0 0 0 1,-0.2 4,-3.0 2,-0.2 -2,-0.2 0.884 114.5 53.3 -66.2 -35.7 12.6 6.4 6.5 24 26 A L H X S+ 0 0 41 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.843 106.2 53.2 -66.0 -34.6 11.2 8.2 3.4 25 27 A T H X S+ 0 0 41 -4,-1.8 4,-1.5 -5,-0.3 -2,-0.2 0.935 112.9 44.0 -61.4 -46.4 14.6 7.9 1.8 26 28 A L H X S+ 0 0 0 -4,-2.0 4,-1.1 2,-0.2 -2,-0.2 0.921 113.0 50.3 -63.9 -47.2 14.6 4.1 2.5 27 29 A L H <>S+ 0 0 0 -4,-3.0 5,-2.9 1,-0.2 3,-0.3 0.866 105.7 57.3 -62.0 -36.5 10.9 3.7 1.4 28 30 A H H ><5S+ 0 0 130 -4,-2.1 3,-1.6 1,-0.2 -1,-0.2 0.921 105.6 50.5 -56.7 -43.9 11.7 5.5 -1.8 29 31 A A H 3<5S+ 0 0 32 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.734 108.7 52.7 -67.3 -24.3 14.4 2.9 -2.6 30 32 A L T 3<5S- 0 0 13 -4,-1.1 -1,-0.3 -3,-0.3 -2,-0.2 0.236 128.7 -96.6 -94.3 10.9 11.8 0.2 -1.9 31 33 A G T < 5 - 0 0 47 -3,-1.6 -3,-0.2 1,-0.2 -2,-0.1 0.784 57.8 -82.4 83.9 27.9 9.4 1.7 -4.4 32 34 A N > < + 0 0 31 -5,-2.9 3,-1.6 -8,-0.1 4,-0.3 0.855 60.6 173.9 42.7 57.3 7.3 3.7 -1.9 33 35 A P G > S+ 0 0 5 0, 0.0 3,-1.3 0, 0.0 -1,-0.1 0.765 72.7 69.0 -62.3 -25.7 5.0 0.8 -0.8 34 36 A Q G 3 S+ 0 0 5 1,-0.2 121,-0.4 -7,-0.1 -2,-0.1 0.690 92.7 57.6 -65.7 -21.8 3.5 3.1 1.8 35 37 A Q G < S+ 0 0 141 -3,-1.6 2,-0.3 119,-0.1 -1,-0.2 0.552 100.8 69.2 -82.3 -11.7 1.8 5.1 -1.0 36 38 A Q S < S+ 0 0 114 -3,-1.3 95,-0.0 -4,-0.3 2,-0.0 -0.725 89.2 10.7-110.5 155.0 -0.1 2.1 -2.3 37 39 A G S S- 0 0 45 -2,-0.3 2,-0.3 100,-0.0 100,-0.1 -0.260 90.2 -58.4 78.0-165.0 -2.9 0.0 -0.9 38 40 A R - 0 0 120 98,-0.3 100,-1.9 97,-0.3 2,-0.3 -0.902 44.6-168.6-125.8 153.6 -5.1 0.8 2.1 39 41 A Y E -a 138 0A 7 -2,-0.3 118,-2.9 116,-0.3 119,-0.8 -0.955 20.8-155.3-140.8 147.5 -4.4 1.5 5.8 40 42 A I E -ab 139 158A 0 98,-2.1 100,-3.1 -2,-0.3 2,-0.5 -0.999 24.9-152.9-118.8 125.3 -6.0 1.9 9.2 41 43 A H E -ab 140 159A 0 117,-1.9 119,-2.3 -2,-0.4 2,-0.5 -0.903 13.3-170.7-108.5 119.3 -3.8 4.0 11.5 42 44 A V E +ab 141 160A 0 98,-2.6 100,-2.7 -2,-0.5 2,-0.2 -0.930 13.6 153.8-122.3 125.3 -4.1 3.3 15.3 43 45 A T E + b 0 161A 0 117,-2.4 119,-2.6 -2,-0.5 2,-0.2 -0.816 7.7 125.2-137.4 174.3 -2.7 5.2 18.2 44 46 A G - 0 0 0 101,-0.3 4,-0.3 117,-0.3 120,-0.2 -0.518 62.2 -98.6 144.3 155.6 -3.4 5.9 21.9 45 47 A T S S+ 0 0 2 118,-2.2 2,-0.3 1,-0.2 119,-0.1 0.919 107.0 8.6 -67.8 -46.4 -1.6 5.6 25.3 46 48 A N S S+ 0 0 57 -3,-0.1 -1,-0.2 1,-0.1 -3,-0.0 -0.976 122.2 30.5-130.8 150.6 -3.3 2.3 26.1 47 49 A G S > S+ 0 0 18 -2,-0.3 4,-2.4 -3,-0.1 5,-0.2 0.331 74.1 116.0 93.3 -4.1 -5.5 -0.1 24.1 48 50 A K H > S+ 0 0 24 -4,-0.3 4,-2.4 2,-0.2 5,-0.1 0.889 78.9 48.2 -63.0 -38.2 -4.1 0.6 20.6 49 51 A G H > S+ 0 0 6 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.917 113.5 44.5 -67.9 -46.7 -2.8 -3.0 20.3 50 52 A S H > S+ 0 0 5 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.900 114.9 49.2 -67.5 -42.0 -6.0 -4.7 21.4 51 53 A A H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.949 112.3 48.8 -61.2 -49.3 -8.1 -2.3 19.2 52 54 A A H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.906 110.7 51.2 -56.4 -45.2 -5.8 -3.0 16.2 53 55 A N H X S+ 0 0 4 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.890 112.5 44.7 -58.3 -45.1 -6.1 -6.8 16.8 54 56 A A H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 5,-0.2 0.891 109.0 55.4 -70.9 -41.3 -9.9 -6.8 16.9 55 57 A I H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 5,-0.2 0.946 111.6 46.8 -50.9 -49.5 -10.2 -4.5 13.8 56 58 A A H X S+ 0 0 0 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.947 111.0 50.0 -60.6 -49.6 -8.1 -7.1 12.0 57 59 A H H X S+ 0 0 27 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.866 112.8 46.9 -57.1 -42.6 -10.1 -10.1 13.3 58 60 A V H X S+ 0 0 0 -4,-2.6 4,-1.5 2,-0.2 -1,-0.2 0.932 113.8 46.8 -65.9 -49.4 -13.4 -8.5 12.2 59 61 A L H <>S+ 0 0 0 -4,-2.5 5,-1.9 -5,-0.2 -2,-0.2 0.874 110.9 53.1 -63.5 -33.4 -12.1 -7.5 8.8 60 62 A E H ><5S+ 0 0 36 -4,-2.7 3,-1.5 1,-0.2 -1,-0.2 0.896 106.6 52.2 -65.6 -42.8 -10.6 -11.0 8.2 61 63 A A H 3<5S+ 0 0 23 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.811 103.0 60.2 -59.9 -32.5 -14.0 -12.6 9.1 62 64 A S T 3<5S- 0 0 15 -4,-1.5 -1,-0.3 -5,-0.1 -2,-0.2 0.502 128.7 -95.9 -75.2 -6.5 -15.6 -10.4 6.5 63 65 A G T < 5S+ 0 0 55 -3,-1.5 2,-0.3 1,-0.3 -3,-0.2 0.547 80.8 130.6 104.3 9.1 -13.4 -11.9 3.8 64 66 A L < - 0 0 12 -5,-1.9 2,-0.6 71,-0.0 -1,-0.3 -0.691 58.2-127.0 -91.0 148.5 -10.5 -9.5 3.6 65 67 A T - 0 0 54 -2,-0.3 71,-1.7 69,-0.1 72,-1.2 -0.872 38.3-164.1 -90.0 120.5 -6.8 -10.4 3.7 66 68 A V E -c 137 0A 0 -2,-0.6 18,-2.6 70,-0.2 19,-0.4 -0.938 18.1-151.2-121.4 124.3 -5.4 -8.1 6.5 67 69 A G E -cD 138 83A 0 70,-2.4 72,-2.9 -2,-0.5 2,-0.4 -0.685 15.6-164.6 -82.5 146.1 -1.9 -7.1 7.4 68 70 A L E -cD 139 82A 0 14,-2.3 14,-2.5 -2,-0.3 2,-0.5 -0.976 8.1-172.0-139.2 121.3 -1.3 -6.4 11.1 69 71 A Y E +cD 140 81A 4 70,-2.2 72,-2.2 -2,-0.4 2,-0.3 -0.966 23.7 155.0-118.9 111.9 1.8 -4.6 12.4 70 72 A T - 0 0 9 10,-1.4 73,-0.1 -2,-0.5 -2,-0.0 -0.872 29.5-108.1-137.3 164.3 2.0 -4.5 16.2 71 73 A A S S+ 0 0 36 -2,-0.3 2,-0.1 1,-0.1 -22,-0.1 -0.982 76.3 26.4-151.2 144.8 4.6 -4.2 19.0 72 74 A P S S- 0 0 67 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.629 73.2-131.8 -82.2 172.4 5.9 -5.8 21.1 73 75 A F - 0 0 66 1,-0.1 4,-0.1 -2,-0.1 329,-0.1 -0.503 14.6-164.3 -75.3 154.9 6.0 -9.5 20.1 74 76 A I S S+ 0 0 4 2,-0.3 332,-0.2 -2,-0.2 -1,-0.1 0.791 79.4 10.6-108.4 -49.2 4.9 -12.0 22.7 75 77 A M S S- 0 0 44 1,-0.4 2,-0.3 330,-0.1 -2,-0.1 0.887 131.4 -4.4 -96.3 -50.4 6.1 -15.4 21.6 76 78 A R > - 0 0 106 1,-0.1 3,-1.7 330,-0.0 -1,-0.4 -0.976 68.3-109.4-146.7 150.0 8.5 -14.8 18.7 77 79 A F G > S+ 0 0 10 -2,-0.3 3,-2.5 1,-0.3 4,-0.2 0.836 109.6 70.4 -46.4 -46.1 9.7 -11.8 16.7 78 80 A N G > S+ 0 0 4 1,-0.3 3,-1.7 2,-0.2 10,-1.1 0.715 81.3 75.7 -48.5 -29.3 7.8 -12.9 13.5 79 81 A E G < S+ 0 0 46 -3,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.673 78.1 73.7 -58.9 -22.9 4.5 -12.0 15.3 80 82 A R G < S+ 0 0 28 -3,-2.5 -10,-1.4 1,-0.2 2,-0.5 0.707 100.5 45.0 -63.8 -23.4 5.1 -8.3 14.7 81 83 A I E < S+D 69 0A 2 -3,-1.7 7,-1.9 -4,-0.2 2,-0.3 -0.925 80.0 165.4-126.1 100.7 4.3 -8.7 11.0 82 84 A M E -DE 68 87A 20 -14,-2.5 -14,-2.3 -2,-0.5 2,-0.4 -0.872 27.6-162.9-117.4 154.0 1.2 -10.8 10.4 83 85 A I E > S-DE 67 86A 14 3,-1.6 3,-1.4 -2,-0.3 -16,-0.2 -0.979 90.5 -11.5-129.5 121.5 -1.2 -11.5 7.5 84 86 A D T 3 S- 0 0 74 -18,-2.6 -17,-0.1 -2,-0.4 -1,-0.1 0.875 129.9 -59.5 53.4 40.1 -4.5 -13.1 8.6 85 87 A H T 3 S+ 0 0 43 -19,-0.4 -1,-0.3 1,-0.2 -18,-0.1 0.660 109.7 126.2 61.7 19.9 -2.9 -13.6 12.0 86 88 A E E < -E 83 0A 131 -3,-1.4 -3,-1.6 -8,-0.0 -1,-0.2 -0.936 61.2-125.9-104.5 117.5 -0.1 -15.8 10.6 87 89 A P E -E 82 0A 34 0, 0.0 -5,-0.2 0, 0.0 -8,-0.2 -0.246 39.4 -86.3 -56.5 146.6 3.4 -14.5 11.5 88 90 A I - 0 0 1 -7,-1.9 -7,-0.1 -10,-1.1 -10,-0.1 -0.318 55.3-110.8 -48.8 123.2 5.8 -13.9 8.6 89 91 A P > - 0 0 70 0, 0.0 4,-2.6 0, 0.0 5,-0.2 -0.313 22.4-113.8 -60.5 150.1 7.4 -17.4 8.0 90 92 A D H > S+ 0 0 56 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.911 117.5 47.9 -48.4 -50.5 11.1 -17.7 8.9 91 93 A A H > S+ 0 0 70 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.851 111.0 50.9 -63.4 -37.7 12.2 -18.2 5.3 92 94 A A H > S+ 0 0 32 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.906 109.3 51.1 -66.0 -41.1 10.1 -15.2 4.2 93 95 A L H X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 5,-0.2 0.936 107.4 53.6 -60.8 -45.5 11.7 -13.0 6.9 94 96 A V H X S+ 0 0 30 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.937 112.8 43.2 -51.7 -51.1 15.2 -14.1 5.7 95 97 A N H X S+ 0 0 117 -4,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.848 113.3 50.2 -69.0 -37.3 14.4 -13.0 2.1 96 98 A A H X S+ 0 0 3 -4,-2.4 4,-2.2 2,-0.2 5,-0.2 0.893 110.5 50.5 -66.7 -41.8 12.6 -9.7 3.1 97 99 A V H X S+ 0 0 0 -4,-2.7 4,-2.8 -5,-0.2 5,-0.2 0.944 109.3 51.9 -59.2 -45.0 15.6 -8.7 5.3 98 100 A A H X S+ 0 0 49 -4,-2.2 4,-2.4 -5,-0.2 -2,-0.2 0.878 110.4 49.3 -58.6 -41.8 18.0 -9.5 2.4 99 101 A F H X S+ 0 0 97 -4,-1.8 4,-1.8 2,-0.2 -1,-0.2 0.910 113.8 42.5 -64.3 -47.4 15.9 -7.3 0.1 100 102 A V H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.867 113.7 54.2 -71.8 -35.0 15.7 -4.2 2.5 101 103 A R H X S+ 0 0 84 -4,-2.8 4,-2.7 -5,-0.2 -2,-0.2 0.955 106.4 50.7 -58.5 -55.5 19.4 -4.7 3.4 102 104 A A H X S+ 0 0 37 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.903 112.2 48.2 -49.1 -46.7 20.4 -4.6 -0.3 103 105 A A H X S+ 0 0 0 -4,-1.8 4,-1.8 2,-0.2 -1,-0.2 0.893 110.0 51.2 -59.3 -43.9 18.4 -1.4 -0.7 104 106 A L H X S+ 0 0 3 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.914 108.9 52.5 -61.2 -43.3 20.0 0.2 2.4 105 107 A E H < S+ 0 0 91 -4,-2.7 4,-0.5 1,-0.2 -1,-0.2 0.865 105.7 52.5 -63.6 -39.9 23.5 -0.6 1.1 106 108 A R H >X S+ 0 0 115 -4,-1.8 4,-1.0 1,-0.2 3,-0.9 0.893 109.2 51.0 -59.1 -44.3 22.8 1.0 -2.3 107 109 A L H 3X S+ 0 0 13 -4,-1.8 4,-2.1 1,-0.2 3,-0.4 0.868 103.7 57.7 -60.3 -40.4 21.7 4.2 -0.4 108 110 A Q H 3< S+ 0 0 60 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.568 100.8 58.9 -71.9 -10.5 24.9 4.2 1.7 109 111 A Q H <4 S+ 0 0 168 -3,-0.9 3,-0.2 -4,-0.5 -1,-0.2 0.815 110.9 39.8 -79.3 -38.8 26.9 4.3 -1.6 110 112 A Q H < S+ 0 0 145 -4,-1.0 2,-0.4 -3,-0.4 -2,-0.2 0.798 130.4 27.6 -78.5 -34.1 25.3 7.6 -2.7 111 113 A Q S >< S- 0 0 111 -4,-2.1 3,-2.1 1,-0.1 -1,-0.3 -0.880 78.6-152.2-137.5 101.2 25.3 9.2 0.8 112 114 A A T 3 S+ 0 0 80 -2,-0.4 -1,-0.1 1,-0.3 -2,-0.1 0.760 88.7 37.0 -51.0 -47.8 28.1 7.8 2.9 113 115 A D T 3 S+ 0 0 160 2,-0.0 -1,-0.3 -4,-0.0 2,-0.2 0.003 82.3 138.4 -99.5 29.3 26.7 8.2 6.4 114 116 A F < + 0 0 10 -3,-2.1 2,-0.3 -7,-0.1 -6,-0.1 -0.497 22.7 146.5 -70.3 136.7 23.1 7.4 5.6 115 117 A N - 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