==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 24-JUL-12 4GA3 . COMPND 2 MOLECULE: FARNESYL PYROPHOSPHATE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR Y.-L.LIU,Y.ZHANG,E.OLDFIELD . 346 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16503.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 272 78.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.9 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 . 1 0.3 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 . 5 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 43 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 211 61.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 2.3 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 0 0 0 0 1 4 2 0 2 1 0 0 0 0 0 1 0 0 1 1 0 0 0 1 1 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 8 A D > 0 0 141 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -45.0 -9.8 73.7 20.6 2 9 A V H > + 0 0 51 2,-0.2 4,-1.1 1,-0.2 5,-0.1 0.898 360.0 43.8 -64.1 -41.2 -9.5 77.5 20.1 3 10 A Y H >> S+ 0 0 9 1,-0.2 4,-1.5 2,-0.2 3,-0.7 0.963 112.9 52.4 -63.5 -51.4 -5.8 77.3 19.2 4 11 A A H 3> S+ 0 0 58 1,-0.2 4,-0.5 2,-0.2 -2,-0.2 0.786 107.3 53.0 -56.5 -33.3 -6.4 74.3 16.9 5 12 A Q H 3< S+ 0 0 137 -4,-2.0 4,-0.3 1,-0.2 -1,-0.2 0.817 112.8 40.6 -76.8 -28.6 -9.1 76.1 15.0 6 13 A E H X S+ 0 0 62 -4,-1.5 4,-2.6 1,-0.2 3,-1.3 0.909 83.3 51.7 -44.6 -69.3 -3.9 77.4 13.3 8 15 A Q H 3X S+ 0 0 119 -4,-0.5 4,-2.6 1,-0.3 -1,-0.2 0.793 112.0 45.1 -38.0 -53.4 -4.5 76.6 9.6 9 16 A D H 3> S+ 0 0 82 -4,-0.3 4,-0.9 -3,-0.3 -1,-0.3 0.802 113.9 51.1 -62.8 -35.0 -5.4 80.2 8.7 10 17 A F H << S+ 0 0 2 -4,-1.7 -2,-0.2 -3,-1.3 -1,-0.2 0.931 114.0 42.6 -72.0 -47.1 -2.4 81.5 10.6 11 18 A V H >< S+ 0 0 46 -4,-2.6 3,-2.1 1,-0.2 4,-0.3 0.920 109.4 56.3 -67.6 -42.8 0.1 79.1 9.0 12 19 A Q H >< S+ 0 0 132 -4,-2.6 3,-1.2 1,-0.3 4,-0.3 0.851 99.9 63.3 -59.3 -29.3 -1.3 79.5 5.5 13 20 A H T 3X S+ 0 0 54 -4,-0.9 4,-1.1 1,-0.3 -1,-0.3 0.392 77.8 83.8 -87.6 10.3 -0.7 83.2 5.8 14 21 A F H <> S+ 0 0 14 -3,-2.1 4,-2.5 2,-0.2 -1,-0.3 0.790 80.2 64.4 -71.8 -34.8 3.0 82.9 6.2 15 22 A S H <> S+ 0 0 86 -3,-1.2 4,-2.7 -4,-0.3 -1,-0.2 0.841 103.4 50.2 -51.7 -36.1 3.4 82.7 2.4 16 23 A Q H > S+ 0 0 32 -4,-0.3 4,-3.5 2,-0.2 5,-0.3 0.882 107.0 51.3 -73.9 -43.6 2.1 86.3 2.4 17 24 A I H X S+ 0 0 0 -4,-1.1 4,-2.0 2,-0.2 -2,-0.2 0.942 113.2 47.8 -51.6 -51.7 4.6 87.4 5.1 18 25 A V H X S+ 0 0 6 -4,-2.5 4,-1.6 2,-0.2 -2,-0.2 0.942 114.6 45.4 -60.5 -48.0 7.3 85.9 2.9 19 26 A R H X S+ 0 0 126 -4,-2.7 4,-3.9 1,-0.2 3,-0.4 0.935 111.7 49.9 -60.3 -54.4 6.0 87.6 -0.3 20 27 A V H X S+ 0 0 21 -4,-3.5 4,-1.0 1,-0.2 -1,-0.2 0.865 114.4 47.0 -55.4 -31.0 5.5 91.1 1.4 21 28 A L H < S+ 0 0 4 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.2 0.759 121.8 35.2 -82.9 -23.4 9.1 90.8 2.7 22 29 A T H >< S+ 0 0 29 -4,-1.6 3,-0.8 -3,-0.4 -2,-0.2 0.821 118.8 48.2 -93.5 -37.8 10.6 89.7 -0.6 23 30 A E H >< S+ 0 0 112 -4,-3.9 3,-1.9 1,-0.2 4,-0.3 0.948 99.1 61.3 -72.6 -50.6 8.5 91.7 -3.0 24 31 A D T 3< S+ 0 0 67 -4,-1.0 -1,-0.2 -5,-0.4 -3,-0.1 0.363 106.6 51.0 -68.0 10.2 8.5 95.2 -1.6 25 32 A E T < S+ 0 0 40 -3,-0.8 -1,-0.3 1,-0.0 6,-0.2 -0.066 79.4 90.6-132.7 32.6 12.3 95.3 -2.1 26 33 A M < + 0 0 102 -3,-1.9 -2,-0.1 1,-0.2 -3,-0.1 0.377 68.1 78.4-107.5 0.2 12.7 94.2 -5.7 27 34 A G S S+ 0 0 71 -4,-0.3 -1,-0.2 1,-0.2 -3,-0.1 0.213 96.9 55.8 -71.9 8.1 12.5 97.8 -6.8 28 35 A H > + 0 0 93 -3,-0.1 3,-1.8 1,-0.1 -1,-0.2 -0.497 69.7 169.4-138.9 67.9 16.1 97.3 -5.6 29 36 A P G > + 0 0 94 0, 0.0 3,-1.8 0, 0.0 4,-0.2 0.661 68.3 73.9 -57.8 -28.9 17.5 94.3 -7.7 30 37 A E G 3 S+ 0 0 178 1,-0.2 3,-0.3 2,-0.1 4,-0.2 0.788 97.2 50.5 -53.8 -28.0 21.1 94.7 -6.5 31 38 A I G X> S+ 0 0 63 -3,-1.8 4,-2.3 -6,-0.2 3,-0.7 0.292 78.3 114.1 -92.4 14.3 20.0 93.2 -3.1 32 39 A G H <> S+ 0 0 19 -3,-1.8 4,-2.1 1,-0.3 -1,-0.2 0.858 73.0 49.0 -56.6 -45.4 18.4 90.2 -4.8 33 40 A D H 3> S+ 0 0 152 -3,-0.3 4,-1.2 1,-0.2 -1,-0.3 0.801 111.2 51.0 -66.1 -34.1 20.8 87.6 -3.4 34 41 A A H <> S+ 0 0 57 -3,-0.7 4,-2.6 2,-0.2 -1,-0.2 0.868 107.2 53.6 -67.7 -41.3 20.3 89.0 0.1 35 42 A I H X S+ 0 0 21 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.941 108.8 48.9 -61.1 -45.7 16.5 88.8 -0.3 36 43 A A H X S+ 0 0 59 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.783 109.2 52.3 -61.0 -35.1 16.8 85.1 -1.3 37 44 A R H X S+ 0 0 69 -4,-1.2 4,-2.1 2,-0.2 -2,-0.2 0.954 107.8 53.8 -67.1 -41.7 19.1 84.5 1.8 38 45 A L H X S+ 0 0 13 -4,-2.6 4,-3.0 1,-0.2 -2,-0.2 0.886 107.9 48.8 -51.6 -52.0 16.3 86.1 3.9 39 46 A K H X S+ 0 0 90 -4,-2.2 4,-2.4 1,-0.2 5,-0.2 0.897 110.6 50.5 -59.1 -43.0 13.7 83.7 2.5 40 47 A E H X S+ 0 0 89 -4,-1.8 4,-1.9 1,-0.2 -1,-0.2 0.922 111.4 48.1 -65.6 -34.1 15.9 80.8 3.2 41 48 A V H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 5,-0.3 0.937 112.4 49.8 -70.0 -40.7 16.4 82.1 6.8 42 49 A L H X S+ 0 0 0 -4,-3.0 4,-2.7 1,-0.2 5,-0.4 0.929 111.9 47.3 -62.3 -49.1 12.6 82.6 7.4 43 50 A E H < S+ 0 0 94 -4,-2.4 4,-0.3 1,-0.2 -1,-0.2 0.845 116.0 42.3 -65.7 -38.7 11.7 79.2 6.1 44 51 A Y H < S+ 0 0 45 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.892 126.7 30.0 -74.0 -35.1 14.2 77.2 8.1 45 52 A N H < S+ 0 0 19 -4,-2.4 -2,-0.2 -5,-0.2 -3,-0.2 0.700 118.4 44.3-109.5 -23.2 13.7 79.2 11.4 46 53 A A S < S+ 0 0 0 -4,-2.7 2,-0.4 -5,-0.3 3,-0.3 0.471 104.6 73.6 -91.7 -3.4 10.2 80.5 11.7 47 54 A I S S+ 0 0 52 -5,-0.4 3,-0.1 -4,-0.3 -36,-0.0 -0.871 78.1 40.5-115.7 141.3 8.5 77.2 10.6 48 55 A G S S+ 0 0 40 1,-0.4 -1,-0.2 -2,-0.4 2,-0.1 0.388 83.3 104.9 111.5 -2.5 8.1 73.9 12.3 49 56 A G S S- 0 0 17 -3,-0.3 -1,-0.4 1,-0.0 -3,-0.0 -0.254 84.4 -98.8 -92.8-170.8 7.2 75.0 15.9 50 57 A K - 0 0 47 296,-0.1 -3,-0.0 -2,-0.1 -1,-0.0 0.629 40.7-137.9 -82.9 -16.7 3.8 74.9 17.6 51 58 A Y > + 0 0 20 1,-0.1 4,-2.7 3,-0.1 5,-0.3 0.669 52.8 144.4 60.9 25.0 3.0 78.6 17.0 52 59 A N H > + 0 0 12 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.914 68.0 48.1 -55.4 -46.5 1.6 79.0 20.6 53 60 A R H > S+ 0 0 30 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.942 117.2 38.5 -70.2 -47.4 3.0 82.5 21.0 54 61 A G H > S+ 0 0 0 2,-0.2 4,-1.5 1,-0.2 3,-0.2 0.881 114.5 55.0 -69.2 -37.4 1.8 84.0 17.7 55 62 A L H X S+ 0 0 2 -4,-2.7 4,-3.1 1,-0.2 5,-0.3 0.912 100.1 61.9 -61.1 -37.7 -1.5 82.1 17.8 56 63 A T H X S+ 0 0 1 -4,-2.5 4,-2.6 -5,-0.3 5,-0.3 0.918 100.8 52.6 -53.6 -42.5 -2.0 83.7 21.2 57 64 A V H X S+ 0 0 0 -4,-1.1 4,-1.4 -3,-0.2 -1,-0.2 0.954 114.4 42.2 -57.6 -46.7 -2.0 87.2 19.5 58 65 A V H X S+ 0 0 10 -4,-1.5 4,-2.2 2,-0.2 -2,-0.2 0.908 114.7 48.5 -71.2 -45.9 -4.7 86.0 17.1 59 66 A V H X S+ 0 0 5 -4,-3.1 4,-2.4 1,-0.2 -1,-0.2 0.950 114.1 45.9 -55.8 -49.0 -6.9 84.1 19.6 60 67 A A H X S+ 0 0 0 -4,-2.6 4,-0.9 -5,-0.3 -1,-0.2 0.744 108.6 57.4 -73.9 -24.9 -6.9 87.0 22.1 61 68 A F H X S+ 0 0 6 -4,-1.4 4,-2.3 -5,-0.3 3,-0.4 0.917 108.1 45.9 -66.7 -49.9 -7.7 89.5 19.3 62 69 A R H < S+ 0 0 88 -4,-2.2 -2,-0.2 1,-0.2 -3,-0.1 0.976 115.6 47.9 -54.4 -48.8 -10.8 87.5 18.4 63 70 A E H < S+ 0 0 53 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.676 120.3 35.1 -68.9 -17.8 -11.8 87.3 22.0 64 71 A L H < S+ 0 0 30 -4,-0.9 2,-0.3 -3,-0.4 -1,-0.2 0.714 102.0 74.6-112.0 -27.0 -11.2 91.0 22.8 65 72 A V S < S- 0 0 17 -4,-2.3 5,-0.1 -5,-0.1 145,-0.1 -0.725 89.3-109.3 -90.3 139.9 -12.2 92.9 19.7 66 73 A E > - 0 0 104 -2,-0.3 3,-3.7 1,-0.1 4,-0.1 -0.528 26.7-122.2 -70.6 130.7 -16.0 93.2 19.0 67 74 A P G > S+ 0 0 105 0, 0.0 3,-1.3 0, 0.0 -1,-0.1 0.696 112.0 64.6 -52.1 -24.8 -16.9 91.0 16.0 68 75 A R G 3 S+ 0 0 191 1,-0.3 3,-0.1 2,-0.1 -2,-0.1 0.640 105.8 46.7 -65.4 -18.0 -18.3 94.2 14.1 69 76 A K G < S+ 0 0 127 -3,-3.7 2,-0.4 1,-0.1 -1,-0.3 0.132 83.1 96.6-114.3 13.6 -14.7 95.3 14.2 70 77 A Q < + 0 0 37 -3,-1.3 -1,-0.1 -4,-0.1 -2,-0.1 -0.357 57.2 166.3 -94.4 52.6 -13.1 92.1 13.0 71 78 A D >> - 0 0 83 -2,-0.4 4,-2.1 1,-0.1 3,-1.3 -0.353 53.5-103.4 -68.0 148.9 -13.0 93.3 9.4 72 79 A A H 3> S+ 0 0 80 1,-0.3 4,-1.6 2,-0.2 -1,-0.1 0.758 122.2 50.6 -38.6 -40.7 -10.9 91.3 6.9 73 80 A D H 3> S+ 0 0 100 2,-0.2 4,-1.8 1,-0.2 -1,-0.3 0.826 108.3 47.3 -69.8 -39.9 -8.2 94.0 7.2 74 81 A S H <> S+ 0 0 11 -3,-1.3 4,-2.0 2,-0.2 -2,-0.2 0.742 112.1 53.9 -80.4 -18.9 -7.9 94.2 11.0 75 82 A L H X S+ 0 0 41 -4,-2.1 4,-2.3 2,-0.2 5,-0.2 0.905 105.4 51.9 -72.7 -45.0 -7.7 90.4 10.9 76 83 A Q H X S+ 0 0 55 -4,-1.6 4,-1.3 -5,-0.3 -2,-0.2 0.904 109.5 50.1 -58.9 -41.1 -4.9 90.5 8.5 77 84 A R H >X S+ 0 0 43 -4,-1.8 4,-2.6 1,-0.2 3,-0.5 0.955 107.2 56.3 -59.4 -48.0 -3.1 92.9 10.8 78 85 A A H 3X S+ 0 0 2 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.880 108.0 45.1 -52.0 -46.2 -3.8 90.5 13.7 79 86 A W H 3X S+ 0 0 21 -4,-2.3 4,-1.4 1,-0.2 -1,-0.2 0.760 111.5 54.8 -80.2 -13.2 -2.1 87.5 12.1 80 87 A T H S+ 0 0 7 -4,-2.8 5,-1.9 2,-0.2 4,-0.8 0.907 109.0 47.3 -59.4 -41.1 21.5 77.7 19.9 98 105 A I H ><5S+ 0 0 35 -4,-1.4 3,-1.1 -5,-0.2 -2,-0.2 0.983 114.5 44.8 -60.3 -55.8 24.9 79.2 19.2 99 106 A M H 3<5S+ 0 0 88 -4,-2.3 -2,-0.2 1,-0.3 -3,-0.2 0.896 118.2 45.0 -60.1 -33.5 25.4 80.3 22.8 100 107 A D H 3<5S- 0 0 13 -4,-3.4 -1,-0.3 -5,-0.2 -2,-0.2 0.559 103.2-131.6 -84.9 -4.7 24.1 76.9 24.1 101 108 A S T <<5 + 0 0 76 -3,-1.1 -3,-0.2 -4,-0.8 -4,-0.1 0.895 45.3 177.6 54.5 37.7 26.2 74.9 21.6 102 109 A S < - 0 0 10 -5,-1.9 -1,-0.1 -6,-0.2 3,-0.1 -0.278 31.5-153.2 -76.0 165.7 23.0 73.0 20.8 103 110 A L + 0 0 86 148,-0.3 7,-1.6 1,-0.3 2,-0.3 0.801 69.4 14.8-106.1 -42.3 22.6 70.2 18.2 104 111 A T E -A 109 0A 35 5,-0.3 2,-0.3 147,-0.3 -1,-0.3 -0.958 49.4-172.6-137.2 161.1 18.9 70.3 17.1 105 112 A R E > S-A 108 0A 44 3,-2.4 3,-1.7 -2,-0.3 145,-0.2 -0.948 75.9 -7.8-151.6 124.8 15.9 72.4 17.2 106 113 A R T 3 S- 0 0 55 142,-0.4 143,-0.2 -2,-0.3 144,-0.2 0.828 129.6 -49.9 61.8 32.7 12.3 71.5 16.1 107 114 A G T 3 S+ 0 0 67 142,-1.9 -1,-0.3 1,-0.2 2,-0.2 0.254 122.5 80.0 93.8 -10.3 13.4 68.2 14.5 108 115 A Q E < S-A 105 0A 74 -3,-1.7 -3,-2.4 141,-0.2 -1,-0.2 -0.763 90.3 -81.9-121.9 170.0 16.3 69.5 12.4 109 116 A I E -A 104 0A 80 -2,-0.2 -5,-0.3 -5,-0.2 5,-0.1 -0.416 61.5 -92.8 -62.6 147.2 20.0 70.4 12.9 110 117 A C >> - 0 0 1 -7,-1.6 3,-1.2 1,-0.1 4,-0.5 -0.333 35.3-113.5 -58.6 141.4 20.3 74.0 14.3 111 118 A W G >4 S+ 0 0 6 1,-0.3 3,-1.8 2,-0.2 7,-0.3 0.873 116.4 51.5 -37.5 -54.3 20.8 76.7 11.6 112 119 A Y G 34 S+ 0 0 32 1,-0.3 6,-1.2 -18,-0.2 -1,-0.3 0.750 104.5 58.9 -66.6 -24.6 24.4 77.5 12.7 113 120 A Q G <4 S+ 0 0 75 -3,-1.2 -1,-0.3 4,-0.1 -2,-0.2 0.522 82.0 108.9 -81.4 -10.3 25.3 73.7 12.5 114 121 A K S XX S- 0 0 59 -3,-1.8 3,-2.6 -4,-0.5 4,-0.7 -0.578 85.1 -97.4 -67.3 130.0 24.3 73.5 8.8 115 122 A P T 34 S+ 0 0 111 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.161 111.7 16.0 -41.5 128.4 27.2 73.1 6.4 116 123 A G T 34 S+ 0 0 77 -3,-0.1 -3,-0.1 1,-0.1 -2,-0.1 0.417 114.3 79.0 77.4 -0.4 28.1 76.5 4.9 117 124 A V T X4 + 0 0 11 -3,-2.6 3,-1.4 -5,-0.2 4,-0.2 0.878 51.0 131.5 -94.9 -71.0 26.2 78.4 7.7 118 125 A G G >< S- 0 0 32 -6,-1.2 3,-1.6 -4,-0.7 -4,-0.1 -0.163 85.7 -9.1 56.4-136.4 28.3 78.6 10.9 119 126 A L G > S+ 0 0 111 1,-0.3 3,-1.7 2,-0.2 4,-0.4 0.463 114.7 85.5 -77.6 -7.4 28.6 82.0 12.5 120 127 A D G <> S+ 0 0 102 -3,-1.4 4,-2.0 1,-0.2 3,-0.4 0.734 74.4 80.2 -54.3 -26.8 27.0 83.9 9.6 121 128 A A H <> S+ 0 0 0 -3,-1.6 4,-2.8 1,-0.2 -1,-0.2 0.758 77.5 69.6 -51.8 -25.7 23.9 82.8 11.6 122 129 A I H <> S+ 0 0 90 -3,-1.7 4,-2.1 2,-0.2 -1,-0.2 0.985 103.7 38.7 -60.7 -56.3 24.6 85.8 13.8 123 130 A N H > S+ 0 0 102 -4,-0.4 4,-2.2 -3,-0.4 -2,-0.2 0.913 112.4 58.0 -60.7 -38.1 23.7 88.3 11.0 124 131 A D H X S+ 0 0 3 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.925 107.0 49.0 -52.0 -48.7 20.8 86.0 9.9 125 132 A A H X S+ 0 0 2 -4,-2.8 4,-1.4 1,-0.2 -2,-0.2 0.940 109.7 50.8 -56.8 -48.4 19.4 86.3 13.5 126 133 A N H X S+ 0 0 78 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.858 108.9 53.1 -59.3 -33.8 19.7 90.2 13.4 127 134 A L H X S+ 0 0 56 -4,-2.2 4,-1.6 1,-0.2 -1,-0.2 0.891 104.5 54.3 -69.7 -38.7 17.8 90.2 10.0 128 135 A L H X S+ 0 0 0 -4,-2.0 4,-0.7 2,-0.2 -1,-0.2 0.815 108.3 49.9 -61.4 -32.2 15.0 88.2 11.5 129 136 A E H >X S+ 0 0 51 -4,-1.4 3,-0.8 1,-0.2 4,-0.8 0.933 106.3 56.1 -72.6 -48.7 14.7 90.9 14.2 130 137 A A H 3X S+ 0 0 45 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-4,-2.2 4,-2.4 1,-0.2 5,-0.2 0.910 113.6 51.5 -61.2 -42.0 0.3 73.3 42.6 314 321 A S H X S+ 0 0 12 -4,-2.8 4,-2.8 2,-0.2 -1,-0.2 0.915 109.5 50.8 -57.6 -45.1 1.5 75.9 40.0 315 322 A Y H X S+ 0 0 89 -4,-2.1 4,-2.8 -5,-0.3 -2,-0.2 0.946 109.9 48.5 -61.0 -48.4 -1.6 75.2 37.9 316 323 A S H X S+ 0 0 80 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.909 113.7 48.8 -57.1 -43.0 -4.0 75.7 41.0 317 324 A H H X S+ 0 0 88 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.915 108.9 50.6 -61.7 -47.5 -2.1 78.9 41.8 318 325 A I H X S+ 0 0 7 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.967 111.1 50.4 -56.2 -50.8 -2.3 80.3 38.2 319 326 A M H X S+ 0 0 31 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.896 108.9 51.1 -51.1 -44.8 -6.1 79.5 38.2 320 327 A A H X S+ 0 0 50 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.911 108.6 53.0 -59.9 -41.2 -6.4 81.4 41.5 321 328 A L H X S+ 0 0 17 -4,-2.4 4,-2.5 2,-0.2 5,-0.2 0.883 106.9 51.4 -62.7 -38.9 -4.6 84.3 39.9 322 329 A I H X S+ 0 0 10 -4,-2.2 4,-2.5 2,-0.2 5,-0.3 0.934 107.1 52.5 -62.0 -49.9 -7.0 84.3 37.0 323 330 A E H < S+ 0 0 176 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0 0 5 -3,-1.3 4,-0.7 1,-0.2 -1,-0.3 0.867 113.7 33.2 -52.5 -44.8 -8.1 84.5 27.1 334 341 A F H <> S+ 0 0 1 -3,-1.0 4,-2.6 -4,-0.5 -2,-0.2 0.897 119.9 51.1 -80.4 -35.8 -6.1 83.2 30.1 335 342 A L H X S+ 0 0 85 -4,-3.1 4,-2.3 1,-0.2 -2,-0.2 0.859 106.2 54.2 -67.9 -37.9 -7.7 79.8 30.3 336 343 A G H X S+ 0 0 16 -4,-3.3 4,-1.3 -5,-0.3 -1,-0.2 0.862 111.6 45.2 -67.6 -34.9 -7.2 79.1 26.6 337 344 A L H X S+ 0 0 4 -4,-0.7 4,-1.1 -5,-0.3 -2,-0.2 0.947 111.1 51.7 -77.6 -46.2 -3.4 79.7 27.0 338 345 A A H X S+ 0 0 4 -4,-2.6 4,-1.6 1,-0.2 3,-0.4 0.863 107.0 55.0 -51.8 -42.3 -3.1 77.7 30.2 339 346 A R H < S+ 0 0 180 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.925 105.5 52.5 -57.0 -43.6 -4.8 74.7 28.6 340 347 A K H < S+ 0 0 91 -4,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.739 117.7 36.3 -67.6 -25.1 -2.3 74.7 25.7 341 348 A I H >< S+ 0 0 7 -4,-1.1 3,-1.2 -3,-0.4 2,-0.6 0.564 88.1 109.1-104.0 -12.9 0.8 74.7 28.1 342 349 A Y T 3< S- 0 0 83 -4,-1.6 -110,-0.0 1,-0.3 -31,-0.0 -0.564 100.6 -11.1 -71.9 113.7 -0.7 72.4 30.9 343 350 A K T 3 S+ 0 0 133 -2,-0.6 -1,-0.3 1,-0.2 2,-0.2 0.894 89.4 169.0 60.7 43.4 1.1 69.0 30.7 344 351 A R < - 0 0 24 -3,-1.2 -1,-0.2 1,-0.1 -3,-0.1 -0.569 28.4-165.1 -74.6 148.8 2.8 69.7 27.4 345 352 A R 0 0 205 -2,-0.2 -101,-0.3 -98,-0.1 -97,-0.1 0.312 360.0 360.0-113.1 -0.3 5.5 67.2 26.4 346 353 A K 0 0 97 -103,-0.1 -296,-0.1 -98,-0.1 -2,-0.1 0.294 360.0 360.0-150.6 360.0 6.8 69.6 23.7