==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SYNTHETASE 29-APR-98 1FGS . COMPND 2 MOLECULE: FOLYLPOLYGLUTAMATE SYNTHETASE; . SOURCE 2 ORGANISM_SCIENTIFIC: LACTOBACILLUS CASEI; . AUTHOR X.SUN,A.BOGNAR,E.BAKER,C.SMITH . 393 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17379.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 268 68.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 43 10.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 28 7.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 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 0.3 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 . 24 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 23 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 137 34.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.5 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 0 0 0 0 3 2 0 1 1 0 3 1 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 3 4 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 . 0 1 1 1 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 1 0 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 92 0, 0.0 2,-0.2 0, 0.0 98,-0.1 0.000 360.0 360.0 360.0 179.7 76.1 22.2 5.9 2 2 A N > - 0 0 75 1,-0.0 4,-1.6 93,-0.0 3,-0.2 -0.490 360.0 -93.0-102.9-178.0 73.9 19.8 7.8 3 3 A Y H > S+ 0 0 45 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.874 126.4 52.3 -62.9 -42.1 70.9 20.8 10.0 4 4 A T H > S+ 0 0 104 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.776 111.8 44.3 -68.3 -30.1 73.1 21.0 13.1 5 5 A E H > S+ 0 0 101 2,-0.2 4,-1.2 -3,-0.2 -1,-0.2 0.788 112.6 55.8 -83.6 -28.0 75.6 23.3 11.4 6 6 A T H X S+ 0 0 0 -4,-1.6 4,-1.2 2,-0.2 -2,-0.2 0.873 108.2 43.9 -71.3 -40.6 72.7 25.3 10.0 7 7 A V H X S+ 0 0 19 -4,-2.3 4,-1.6 2,-0.2 -1,-0.2 0.838 114.3 51.3 -76.5 -28.3 71.0 26.0 13.3 8 8 A A H < S+ 0 0 51 -4,-0.9 4,-0.5 -5,-0.2 -2,-0.2 0.787 107.6 53.0 -76.1 -29.6 74.4 26.9 14.9 9 9 A Y H < S+ 0 0 48 -4,-1.2 3,-0.2 2,-0.2 -2,-0.2 0.822 106.9 52.3 -74.7 -31.6 75.1 29.3 12.0 10 10 A I H >< S+ 0 0 2 -4,-1.2 3,-1.0 1,-0.2 -2,-0.2 0.907 110.1 48.7 -72.0 -36.4 71.8 31.1 12.6 11 11 A H T 3< S+ 0 0 90 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.604 96.9 72.0 -79.6 -11.0 72.8 31.5 16.3 12 12 A S T 3 S+ 0 0 95 -4,-0.5 -1,-0.2 -3,-0.2 -2,-0.2 0.446 73.4 114.1 -82.6 -3.8 76.2 32.9 15.3 13 13 A F < - 0 0 24 -3,-1.0 106,-0.2 1,-0.1 105,-0.1 -0.380 64.7-111.8 -71.6 145.1 74.7 36.2 14.1 14 14 A P - 0 0 54 0, 0.0 105,-0.8 0, 0.0 2,-0.6 0.157 12.1-108.9 -73.0-173.7 75.5 39.4 16.0 15 15 A R + 0 0 101 103,-0.1 2,-0.1 104,-0.1 103,-0.1 -0.907 47.1 180.0-118.3 90.4 73.9 42.0 18.2 16 16 A L 0 0 71 -2,-0.6 101,-0.0 1,-0.1 102,-0.0 -0.380 360.0 360.0 -91.2 172.3 73.7 45.1 16.0 17 17 A A 0 0 117 -2,-0.1 -1,-0.1 0, 0.0 -2,-0.0 -0.429 360.0 360.0 -72.2 360.0 72.4 48.6 16.7 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 20 A G 0 0 97 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -94.7 66.7 51.3 14.3 20 21 A D - 0 0 77 1,-0.0 3,-0.4 127,-0.0 127,-0.0 -0.232 360.0 -96.5 -86.7 179.2 64.8 51.2 10.9 21 22 A H S > S+ 0 0 61 1,-0.2 4,-1.9 128,-0.1 5,-0.2 0.180 82.0 115.0 -88.0 21.1 64.4 48.3 8.6 22 23 A R H > S+ 0 0 171 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.817 73.9 48.5 -57.4 -43.4 67.3 49.0 6.1 23 24 A R H > S+ 0 0 58 -3,-0.4 4,-1.4 2,-0.2 -1,-0.2 0.861 116.1 43.3 -68.2 -39.4 69.5 45.9 6.7 24 25 A I H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.860 113.7 51.8 -77.3 -29.3 66.6 43.4 6.5 25 26 A L H X S+ 0 0 46 -4,-1.9 4,-1.1 2,-0.2 -2,-0.2 0.769 108.2 51.8 -75.6 -27.5 65.2 45.2 3.4 26 27 A T H X S+ 0 0 36 -4,-1.5 4,-1.0 2,-0.2 -1,-0.2 0.870 113.2 45.0 -73.4 -40.1 68.6 45.1 1.7 27 28 A L H X S+ 0 0 0 -4,-1.4 4,-0.7 1,-0.2 -2,-0.2 0.894 112.3 51.9 -70.7 -39.5 68.7 41.3 2.5 28 29 A L H <>S+ 0 0 0 -4,-2.5 5,-3.1 1,-0.2 -2,-0.2 0.719 104.4 55.6 -71.1 -22.9 65.0 40.9 1.3 29 30 A H H ><5S+ 0 0 133 -4,-1.1 3,-1.0 3,-0.2 -1,-0.2 0.839 105.4 53.4 -78.5 -29.4 65.8 42.7 -2.0 30 31 A A H 3<5S+ 0 0 29 -4,-1.0 -2,-0.2 1,-0.3 -1,-0.2 0.724 107.8 51.6 -75.2 -20.8 68.5 40.1 -2.6 31 32 A L T 3<5S- 0 0 13 -4,-0.7 -1,-0.3 -5,-0.1 -2,-0.2 0.331 127.3-101.2 -95.2 2.4 65.8 37.4 -2.0 32 33 A G T < 5 - 0 0 52 -3,-1.0 -3,-0.2 1,-0.1 -2,-0.1 0.747 59.2 -77.4 84.7 27.7 63.5 39.0 -4.6 33 34 A N > < + 0 0 36 -5,-3.1 3,-1.2 -8,-0.1 4,-0.3 0.873 63.0 168.7 46.9 59.2 61.2 40.9 -2.2 34 35 A P G > S+ 0 0 3 0, 0.0 3,-0.9 0, 0.0 -1,-0.1 0.737 71.3 68.0 -71.7 -17.1 58.9 38.1 -0.9 35 36 A Q G 3 S+ 0 0 4 1,-0.2 117,-0.4 -7,-0.1 115,-0.1 0.655 94.5 58.4 -72.1 -18.0 57.4 40.3 1.8 36 37 A Q G < S+ 0 0 141 -3,-1.2 2,-0.3 115,-0.1 -1,-0.2 0.585 101.6 64.7 -87.1 -13.9 55.7 42.4 -1.0 37 38 A Q S < S+ 0 0 103 -3,-0.9 95,-0.0 -4,-0.3 -4,-0.0 -0.741 88.0 23.0-109.1 159.7 53.8 39.4 -2.3 38 39 A G S S- 0 0 39 -2,-0.3 2,-0.3 94,-0.0 100,-0.1 -0.052 86.9 -66.0 81.9 176.6 51.1 37.3 -0.7 39 40 A R E -a 138 0A 117 98,-0.5 100,-1.5 97,-0.3 2,-0.3 -0.796 47.6-171.9-107.7 146.1 48.6 38.0 2.2 40 41 A Y E -a 139 0A 4 -2,-0.3 114,-3.4 98,-0.2 115,-0.8 -0.981 21.5-151.8-138.0 152.6 49.6 38.6 5.8 41 42 A I E -ab 140 155A 0 98,-2.3 100,-3.1 -2,-0.3 2,-0.6 -0.994 23.4-148.8-122.3 122.5 48.0 39.0 9.2 42 43 A H E -ab 141 156A 0 113,-2.2 115,-3.3 -2,-0.5 2,-0.5 -0.876 15.3-173.9-101.7 118.2 50.1 41.2 11.5 43 44 A V E +ab 142 157A 0 98,-3.0 100,-3.0 -2,-0.6 2,-0.3 -0.928 13.9 151.4-119.0 122.6 50.0 40.4 15.2 44 45 A T E + b 0 158A 0 113,-2.8 115,-1.9 -2,-0.5 2,-0.2 -0.831 10.7 125.8-134.9 172.0 51.5 42.4 18.1 45 46 A G - 0 0 1 -2,-0.3 116,-0.2 113,-0.2 4,-0.1 -0.689 61.0-103.0 149.3 159.2 50.7 42.9 21.7 46 47 A T S S+ 0 0 46 114,-3.4 2,-0.3 -2,-0.2 115,-0.1 0.823 102.6 8.2 -78.5 -32.6 52.4 42.6 25.2 47 48 A N S S+ 0 0 88 113,-0.2 -1,-0.2 -3,-0.1 113,-0.2 -0.943 120.1 30.0-141.6 159.6 50.6 39.3 26.1 48 49 A G S > S+ 0 0 20 -2,-0.3 4,-1.5 -3,-0.1 5,-0.1 0.486 77.0 114.8 69.8 7.3 48.3 36.9 24.2 49 50 A K H > S+ 0 0 43 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.789 76.6 48.0 -78.9 -29.3 49.8 37.4 20.8 50 51 A G H > S+ 0 0 9 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.866 114.7 47.4 -76.1 -37.9 51.2 33.9 20.4 51 52 A S H > S+ 0 0 5 2,-0.2 4,-1.2 1,-0.1 -2,-0.2 0.817 113.8 46.5 -70.2 -37.0 47.8 32.4 21.5 52 53 A A H X S+ 0 0 0 -4,-1.5 4,-2.4 2,-0.2 -2,-0.2 0.946 112.3 49.8 -70.7 -49.2 45.7 34.6 19.2 53 54 A A H X S+ 0 0 0 -4,-1.8 4,-1.9 1,-0.2 -2,-0.2 0.781 110.7 49.8 -59.0 -36.9 48.0 34.0 16.1 54 55 A N H X S+ 0 0 4 -4,-1.5 4,-2.0 2,-0.2 -1,-0.2 0.856 112.7 47.8 -71.8 -37.1 47.8 30.3 16.6 55 56 A A H X S+ 0 0 0 -4,-1.2 4,-1.8 2,-0.2 -2,-0.2 0.874 111.2 49.7 -72.2 -38.9 44.0 30.5 17.0 56 57 A I H X S+ 0 0 0 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.887 112.9 48.1 -65.5 -41.4 43.7 32.6 13.8 57 58 A A H X S+ 0 0 0 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.909 111.1 49.9 -67.1 -42.4 45.9 30.2 11.9 58 59 A H H X S+ 0 0 26 -4,-2.0 4,-1.3 1,-0.2 -2,-0.2 0.818 112.3 47.4 -65.8 -35.2 43.9 27.1 13.1 59 60 A V H X S+ 0 0 0 -4,-1.8 4,-0.6 2,-0.2 -1,-0.2 0.868 114.2 46.9 -75.3 -38.6 40.5 28.7 12.1 60 61 A L H <>S+ 0 0 0 -4,-2.0 5,-1.5 2,-0.2 3,-0.2 0.810 110.0 52.6 -74.4 -30.4 41.8 29.8 8.6 61 62 A E H ><5S+ 0 0 34 -4,-1.9 3,-1.4 1,-0.2 -2,-0.2 0.866 105.0 56.5 -72.4 -35.1 43.3 26.3 8.0 62 63 A A H 3<5S+ 0 0 19 -4,-1.3 -1,-0.2 1,-0.3 -2,-0.2 0.665 100.4 58.1 -72.3 -16.3 40.0 24.7 8.8 63 64 A S T 3<5S- 0 0 19 -4,-0.6 -1,-0.3 -3,-0.2 -2,-0.2 0.481 130.1 -95.6 -89.9 -5.0 38.3 26.8 6.1 64 65 A G T < 5S+ 0 0 57 -3,-1.4 2,-0.3 1,-0.3 -3,-0.2 0.677 79.8 132.4 101.3 22.1 40.7 25.2 3.6 65 66 A L < - 0 0 12 -5,-1.5 2,-0.9 71,-0.0 -1,-0.3 -0.761 59.3-121.5-105.0 151.6 43.6 27.7 3.3 66 67 A T - 0 0 48 -2,-0.3 71,-1.9 69,-0.1 72,-1.2 -0.820 37.7-161.8 -91.1 110.2 47.3 27.0 3.5 67 68 A V E -c 138 0A 0 -2,-0.9 18,-2.9 69,-0.2 19,-0.4 -0.869 13.4-155.1-105.8 124.2 48.4 29.1 6.5 68 69 A G E -cD 139 84A 0 70,-2.6 72,-3.1 -2,-0.5 2,-0.4 -0.666 15.8-162.5 -86.7 142.9 52.0 30.1 7.2 69 70 A L E -cD 140 83A 1 14,-3.0 14,-2.7 -2,-0.3 2,-0.6 -0.971 10.2-170.5-136.9 119.7 52.7 30.8 10.8 70 71 A Y E +cD 141 82A 3 70,-2.7 72,-2.1 -2,-0.4 2,-0.3 -0.934 25.4 152.9-113.2 112.1 55.7 32.7 12.2 71 72 A T - 0 0 9 10,-2.0 3,-0.1 -2,-0.6 73,-0.1 -0.824 30.6-105.4-134.9 175.0 56.1 32.7 16.0 72 73 A S S S+ 0 0 47 -2,-0.3 2,-0.1 1,-0.2 -22,-0.0 -0.958 75.1 20.4-158.3 138.6 58.5 32.9 18.9 73 74 A P - 0 0 60 0, 0.0 2,-0.2 0, 0.0 -1,-0.2 0.605 68.0-135.6 -96.9-169.6 59.7 31.2 20.8 74 75 A F - 0 0 71 1,-0.1 4,-0.1 -2,-0.1 316,-0.1 -0.586 9.4-162.7 -91.1 164.9 59.8 27.6 20.0 75 76 A I S S+ 0 0 7 2,-0.3 319,-0.2 -2,-0.2 -1,-0.1 0.810 79.6 9.1-112.0 -53.8 58.9 24.9 22.6 76 77 A M S S+ 0 0 40 1,-0.4 2,-0.3 317,-0.1 -2,-0.1 0.891 129.2 3.6 -95.6 -49.8 60.3 21.6 21.5 77 78 A R S > S- 0 0 107 1,-0.1 3,-1.4 0, 0.0 -1,-0.4 -0.951 70.1-110.9-139.9 155.3 62.5 22.2 18.4 78 79 A F G > S+ 0 0 19 -2,-0.3 3,-1.7 1,-0.3 4,-0.2 0.791 108.6 71.8 -52.6 -38.0 63.8 25.3 16.5 79 80 A N G > S+ 0 0 3 1,-0.3 10,-1.4 2,-0.2 3,-0.8 0.540 78.0 78.0 -57.7 -15.9 61.6 24.4 13.4 80 81 A E G < S+ 0 0 37 -3,-1.4 -1,-0.3 1,-0.2 -9,-0.1 0.594 77.3 73.5 -71.4 -18.0 58.4 25.3 15.3 81 82 A R G < S+ 0 0 20 -3,-1.7 -10,-2.0 1,-0.2 2,-0.5 0.768 100.9 43.0 -70.6 -24.9 59.0 29.0 14.7 82 83 A I E < S+D 70 0A 7 -3,-0.8 7,-1.6 -12,-0.2 2,-0.3 -0.951 78.0 166.3-125.2 108.8 58.1 28.7 11.0 83 84 A M E -DE 69 88A 28 -14,-2.7 -14,-3.0 -2,-0.5 2,-0.4 -0.908 25.7-163.0-123.8 152.4 55.0 26.5 10.3 84 85 A I E > S-DE 68 87A 26 3,-2.2 3,-0.9 -2,-0.3 -16,-0.2 -0.970 89.1 -12.1-134.8 114.1 52.8 25.9 7.3 85 86 A D T 3 S- 0 0 67 -18,-2.9 -17,-0.1 -2,-0.4 -1,-0.1 0.833 129.4 -57.9 61.5 35.5 49.4 24.3 8.3 86 87 A H T 3 S+ 0 0 40 -19,-0.4 -1,-0.2 1,-0.2 -18,-0.1 0.576 110.7 119.4 70.3 17.6 50.8 23.5 11.8 87 88 A E E < -E 84 0A 138 -3,-0.9 -3,-2.2 3,-0.0 -1,-0.2 -0.957 64.2-124.8-113.1 129.1 53.7 21.5 10.5 88 89 A P E -E 83 0A 43 0, 0.0 -8,-0.2 0, 0.0 -5,-0.2 -0.364 40.7 -85.1 -73.3 147.2 57.2 22.8 11.4 89 90 A I - 0 0 3 -7,-1.6 2,-0.1 -10,-1.4 -7,-0.1 -0.398 51.9-113.9 -58.6 118.9 59.7 23.4 8.6 90 91 A P >> - 0 0 73 0, 0.0 4,-1.9 0, 0.0 3,-0.8 -0.413 22.1-115.7 -62.5 138.1 61.4 20.0 7.8 91 92 A D H 3> S+ 0 0 52 1,-0.3 4,-1.8 2,-0.2 5,-0.1 0.786 114.6 48.7 -41.8 -45.7 65.1 19.9 8.6 92 93 A A H 3> S+ 0 0 68 2,-0.2 4,-1.9 1,-0.2 -1,-0.3 0.790 110.8 50.7 -70.6 -32.2 66.2 19.4 5.0 93 94 A A H <> S+ 0 0 22 -3,-0.8 4,-2.3 2,-0.2 -2,-0.2 0.825 111.3 49.3 -75.0 -30.3 64.0 22.3 3.9 94 95 A L H X S+ 0 0 2 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.832 109.4 52.5 -73.1 -35.2 65.6 24.4 6.6 95 96 A V H X S+ 0 0 33 -4,-1.8 4,-1.5 2,-0.2 -2,-0.2 0.900 113.3 43.9 -67.1 -40.7 69.0 23.2 5.3 96 97 A N H X S+ 0 0 111 -4,-1.9 4,-1.5 2,-0.2 -2,-0.2 0.908 115.1 47.3 -69.0 -48.0 68.1 24.4 1.8 97 98 A A H X S+ 0 0 2 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.834 111.1 50.2 -65.6 -37.2 66.6 27.7 2.9 98 99 A V H X S+ 0 0 0 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.888 110.9 51.2 -70.0 -35.7 69.5 28.7 5.2 99 100 A A H X S+ 0 0 52 -4,-1.5 4,-1.2 1,-0.2 -2,-0.2 0.813 111.1 47.8 -70.0 -33.6 71.9 27.9 2.3 100 101 A F H X S+ 0 0 95 -4,-1.5 4,-1.3 2,-0.2 -2,-0.2 0.870 113.7 45.5 -74.6 -42.0 69.9 30.1 -0.1 101 102 A V H X S+ 0 0 0 -4,-2.0 4,-1.5 2,-0.2 -2,-0.2 0.829 112.6 51.6 -72.0 -30.5 69.7 33.1 2.3 102 103 A R H X S+ 0 0 87 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.834 107.0 54.1 -74.3 -31.4 73.5 32.7 3.2 103 104 A A H X S+ 0 0 41 -4,-1.2 4,-0.9 2,-0.2 -2,-0.2 0.867 111.1 44.0 -70.1 -39.0 74.4 32.8 -0.5 104 105 A A H X S+ 0 0 0 -4,-1.3 4,-1.4 2,-0.2 -2,-0.2 0.825 113.5 51.9 -74.8 -32.9 72.5 36.0 -1.1 105 106 A L H X S+ 0 0 2 -4,-1.5 4,-1.4 2,-0.2 -2,-0.2 0.829 107.6 51.7 -72.8 -33.4 74.0 37.5 2.1 106 107 A E H < S+ 0 0 88 -4,-1.9 4,-0.3 2,-0.2 -1,-0.2 0.759 108.2 51.9 -74.5 -25.7 77.5 36.6 0.9 107 108 A R H X S+ 0 0 124 -4,-0.9 4,-0.9 2,-0.2 3,-0.4 0.843 109.0 50.8 -75.0 -37.6 76.8 38.3 -2.4 108 109 A L H X S+ 0 0 21 -4,-1.4 4,-2.3 1,-0.2 -2,-0.2 0.783 108.5 51.6 -72.4 -28.2 75.7 41.4 -0.4 109 110 A Q H < S+ 0 0 63 -4,-1.4 -1,-0.2 2,-0.2 -2,-0.2 0.575 100.9 61.9 -85.1 -10.6 78.9 41.3 1.6 110 111 A Q H 4 S+ 0 0 172 -3,-0.4 3,-0.2 -4,-0.3 -2,-0.2 0.789 116.7 31.8 -81.8 -29.2 81.0 41.2 -1.6 111 112 A Q H < S+ 0 0 140 -4,-0.9 2,-1.0 1,-0.3 -2,-0.2 0.933 129.2 34.0 -87.7 -68.1 79.5 44.6 -2.4 112 113 A Q S >< S- 0 0 116 -4,-2.3 3,-1.6 1,-0.1 -1,-0.3 -0.825 80.5-158.8 -92.3 101.3 79.1 46.3 1.0 113 114 A A T 3 S+ 0 0 80 -2,-1.0 -1,-0.1 1,-0.3 -4,-0.1 0.649 85.6 40.4 -55.4 -27.5 82.1 44.8 2.9 114 115 A D T 3 S+ 0 0 164 -3,-0.1 -1,-0.3 2,-0.1 2,-0.2 -0.043 83.5 134.9-114.5 29.9 80.8 45.3 6.4 115 116 A F < + 0 0 17 -3,-1.6 2,-0.3 -7,-0.1 -6,-0.0 -0.564 22.4 145.5 -78.3 141.1 77.2 44.3 5.7 116 117 A N - 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