==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 23-JUL-04 1U43 . COMPND 2 MOLECULE: 2-C-METHYL-D-ERYTHRITOL 2,4-CYCLODIPHOSPHATE SYNT . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR S.STEINBACHER,J.KAISER,J.WUNGSINTAWEEKUL,S.HECHT,W.EISENREIC . 155 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7582.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 106 68.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 4.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 29 18.7 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 0.6 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 . 8 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 39 25.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 2.6 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 1 0 0 0 0 0 0 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 0 1 1 0 0 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 0 158 0, 0.0 2,-0.3 0, 0.0 154,-0.3 0.000 360.0 360.0 360.0 139.1 29.3 35.3 28.9 2 2 A R E -A 154 0A 108 152,-2.4 152,-2.7 2,-0.0 2,-0.2 -0.909 360.0-140.3-125.2 151.4 26.1 34.2 27.2 3 3 A I E -A 153 0A 135 -2,-0.3 2,-0.3 150,-0.2 150,-0.2 -0.490 17.3-174.4-101.5 171.7 25.0 31.0 25.6 4 4 A G E -A 152 0A 7 148,-0.6 148,-1.7 -2,-0.2 2,-0.4 -0.937 10.3-154.4-166.8 143.6 22.9 30.5 22.4 5 5 A H E +A 151 0A 105 -2,-0.3 2,-0.3 146,-0.2 146,-0.2 -0.984 13.0 178.3-129.3 140.5 21.3 27.7 20.4 6 6 A G E +A 150 0A 2 144,-2.7 144,-1.6 -2,-0.4 2,-0.3 -0.849 4.2 178.0-133.3 166.0 20.4 27.4 16.8 7 7 A F E +A 149 0A 100 -2,-0.3 2,-0.3 142,-0.2 142,-0.2 -0.867 2.9 172.4-170.1 132.7 18.9 24.8 14.4 8 8 A D E -A 148 0A 41 140,-2.3 140,-1.9 -2,-0.3 2,-0.3 -0.947 8.3-168.3-143.1 160.8 18.0 24.6 10.7 9 9 A V E -A 147 0A 48 -2,-0.3 2,-0.3 138,-0.2 138,-0.2 -0.979 3.5-171.9-146.5 150.1 16.8 22.1 8.2 10 10 A H E -A 146 0A 34 136,-2.0 136,-2.0 -2,-0.3 2,-0.2 -0.982 23.1-123.2-149.5 136.4 16.4 22.2 4.4 11 11 A A E -A 145 0A 53 21,-0.4 21,-2.8 -2,-0.3 134,-0.3 -0.575 30.1-115.5 -80.3 140.9 14.9 19.8 1.9 12 12 A F E +D 31 0B 21 132,-1.8 19,-0.3 19,-0.2 2,-0.3 -0.434 48.2 157.8 -68.6 152.8 17.1 18.4 -0.9 13 13 A G E - 0 0 17 17,-2.5 17,-0.3 1,-0.2 131,-0.0 -0.843 37.1 -5.9-179.5 137.7 15.9 19.5 -4.3 14 14 A G E S- 0 0 55 -2,-0.3 16,-1.2 15,-0.1 -1,-0.2 -0.231 99.7 -24.4 72.2-163.2 17.1 20.0 -7.8 15 15 A E E S-D 29 0B 167 14,-0.3 14,-0.2 1,-0.1 16,-0.2 -0.414 78.1-106.5 -80.8 158.5 20.6 19.6 -9.0 16 16 A G + 0 0 26 12,-1.6 14,-0.2 11,-0.4 2,-0.1 -0.062 65.6 109.0 -79.6-169.7 23.6 20.0 -6.7 17 17 A P - 0 0 37 0, 0.0 14,-0.4 0, 0.0 2,-0.2 0.650 50.0-156.8 -85.4-180.0 26.0 21.3 -5.4 18 18 A I E -E 25 0C 4 7,-3.1 7,-3.3 12,-0.2 2,-0.5 -0.678 10.3-130.2-115.1 169.4 25.0 22.5 -2.0 19 19 A I E +E 24 0C 42 17,-0.3 20,-0.5 5,-0.2 2,-0.4 -0.989 29.2 167.1-124.8 124.6 26.5 25.1 0.3 20 20 A I E > S-E 23 0C 0 3,-1.8 3,-2.7 -2,-0.5 18,-0.1 -0.998 72.4 -11.0-137.2 132.0 27.3 24.4 3.9 21 21 A G T 3 S- 0 0 0 -2,-0.4 95,-0.2 1,-0.3 94,-0.2 0.829 130.4 -56.9 50.2 27.6 29.4 26.5 6.2 22 22 A G T 3 S+ 0 0 16 1,-0.2 2,-0.4 93,-0.1 -1,-0.3 0.168 109.9 121.7 92.6 -18.2 30.3 28.5 3.1 23 23 A V E < -E 20 0C 14 -3,-2.7 -3,-1.8 1,-0.0 2,-0.8 -0.651 61.9-133.4 -88.0 129.6 31.7 25.6 1.1 24 24 A R E -E 19 0C 184 -2,-0.4 -5,-0.2 -5,-0.2 -1,-0.0 -0.713 32.2-168.5 -76.1 110.1 30.2 24.7 -2.3 25 25 A I E -E 18 0C 0 -7,-3.3 -7,-3.1 -2,-0.8 2,-0.1 -0.933 18.4-126.0-107.9 127.3 30.0 20.9 -1.9 26 26 A P + 0 0 95 0, 0.0 2,-0.3 0, 0.0 3,-0.1 -0.456 43.7 149.1 -72.0 138.5 29.3 18.8 -4.9 27 27 A Y - 0 0 46 1,-0.2 -11,-0.4 -2,-0.1 -2,-0.0 -0.951 53.9-110.6-162.0 156.2 26.3 16.4 -4.5 28 28 A E S S+ 0 0 139 -2,-0.3 -12,-1.6 -13,-0.1 -1,-0.2 0.982 102.8 35.3 -56.5 -66.0 23.6 14.8 -6.8 29 29 A K E S-D 15 0B 58 -14,-0.2 -14,-0.3 1,-0.1 -15,-0.1 -0.422 77.4-148.0 -87.1 162.4 20.7 16.8 -5.4 30 30 A G E - 0 0 1 -16,-1.2 -17,-2.5 -17,-0.3 2,-0.4 -0.306 24.0 -92.9-109.0-159.4 20.8 20.3 -4.2 31 31 A L E -D 12 0B 30 -14,-0.4 2,-0.5 -19,-0.3 -19,-0.2 -0.959 24.5-131.0-125.2 142.0 18.9 22.2 -1.5 32 32 A L + 0 0 97 -21,-2.8 -21,-0.4 -2,-0.4 2,-0.3 -0.787 46.3 130.4 -93.4 128.0 15.7 24.2 -1.7 33 33 A A - 0 0 42 -2,-0.5 37,-0.3 2,-0.1 -2,-0.1 -0.971 62.0-122.6-171.2 155.1 15.7 27.7 -0.0 34 34 A H S S+ 0 0 51 -2,-0.3 36,-3.3 35,-0.1 37,-0.4 0.914 109.2 31.9 -67.9 -43.3 14.9 31.4 -0.5 35 35 A S S S- 0 0 14 34,-0.3 35,-0.3 35,-0.2 37,-0.2 -0.052 125.1 -70.5 -92.1-158.5 18.5 32.2 0.4 36 36 A D - 0 0 39 35,-2.3 -17,-0.3 33,-0.1 3,-0.2 0.506 64.0-130.4 -74.7 -5.1 21.4 29.9 -0.5 37 37 A G + 0 0 0 1,-0.2 2,-1.3 34,-0.2 -18,-0.2 0.812 39.4 173.6 60.4 33.3 20.0 27.6 2.1 38 38 A D > - 0 0 0 1,-0.2 4,-2.5 -20,-0.1 -1,-0.2 -0.610 9.6-172.8 -74.4 99.7 23.3 27.1 3.9 39 39 A V H > S+ 0 0 0 -2,-1.3 4,-3.0 -20,-0.5 5,-0.3 0.954 77.0 57.7 -60.4 -50.6 22.1 25.2 6.9 40 40 A A H > S+ 0 0 2 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.896 113.4 40.8 -48.2 -46.7 25.4 25.1 8.8 41 41 A L H > S+ 0 0 1 2,-0.2 4,-3.5 1,-0.2 -1,-0.2 0.924 111.3 52.9 -73.5 -43.8 25.5 28.9 8.7 42 42 A H H X S+ 0 0 12 -4,-2.5 4,-2.6 1,-0.2 5,-0.3 0.977 111.5 49.9 -54.8 -48.0 21.8 29.6 9.4 43 43 A A H X S+ 0 0 0 -4,-3.0 4,-2.1 1,-0.2 -1,-0.2 0.937 112.2 46.5 -55.0 -48.8 22.2 27.3 12.4 44 44 A L H X S+ 0 0 0 -4,-2.1 4,-2.5 -5,-0.3 -1,-0.2 0.937 110.7 54.4 -58.3 -46.5 25.3 29.2 13.5 45 45 A T H X S+ 0 0 0 -4,-3.5 4,-3.2 1,-0.2 5,-0.2 0.898 108.2 46.7 -54.8 -50.4 23.5 32.6 13.0 46 46 A D H X S+ 0 0 27 -4,-2.6 4,-3.6 1,-0.2 -1,-0.2 0.949 111.5 51.2 -60.2 -47.4 20.6 31.8 15.2 47 47 A A H X S+ 0 0 0 -4,-2.1 4,-2.0 -5,-0.3 105,-0.2 0.890 113.2 46.9 -56.6 -39.4 22.8 30.5 17.9 48 48 A L H X S+ 0 0 0 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.942 115.3 44.0 -67.6 -47.0 24.7 33.7 17.7 49 49 A L H X>S+ 0 0 0 -4,-3.2 5,-2.8 1,-0.2 4,-0.8 0.863 110.2 57.7 -65.9 -34.8 21.7 35.9 17.6 50 50 A G H ><5S+ 0 0 33 -4,-3.6 3,-0.8 -5,-0.2 -1,-0.2 0.920 106.1 47.8 -62.2 -45.1 20.2 33.9 20.4 51 51 A A H 3<5S+ 0 0 1 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.922 111.6 50.9 -62.7 -39.9 23.1 34.6 22.7 52 52 A A H 3<5S- 0 0 0 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.648 110.8-126.8 -71.1 -14.0 22.8 38.3 21.8 53 53 A A T <<5S+ 0 0 50 -3,-0.8 -3,-0.2 -4,-0.8 -2,-0.1 0.851 73.2 127.6 69.7 32.6 19.1 38.1 22.7 54 54 A L < - 0 0 48 -5,-2.8 2,-0.6 1,-0.3 -4,-0.2 0.286 68.8-124.1-101.2 8.8 18.3 39.5 19.3 55 55 A G - 0 0 49 -6,-0.5 2,-0.3 -5,-0.2 -1,-0.3 -0.788 50.3 -42.4 92.8-118.9 15.8 36.7 18.4 56 56 A D >> - 0 0 71 -2,-0.6 4,-1.2 -7,-0.1 3,-1.0 -0.923 50.1 -94.9-147.4 171.6 16.5 34.8 15.2 57 57 A I H 3> S+ 0 0 26 -2,-0.3 4,-3.0 1,-0.3 -1,-0.0 0.806 119.0 62.5 -57.6 -28.6 17.6 35.1 11.5 58 58 A G H 34 S+ 0 0 35 1,-0.2 -1,-0.3 2,-0.2 5,-0.1 0.819 99.1 49.5 -70.5 -35.0 13.9 35.1 10.7 59 59 A K H <4 S+ 0 0 183 -3,-1.0 -1,-0.2 1,-0.1 -2,-0.2 0.822 122.2 37.7 -72.8 -26.5 13.0 38.3 12.5 60 60 A L H < S+ 0 0 34 -4,-1.2 -2,-0.2 1,-0.2 -3,-0.1 0.802 124.7 27.0 -94.9 -34.4 16.0 39.9 10.7 61 61 A F S < S- 0 0 19 -4,-3.0 -1,-0.2 -5,-0.1 -2,-0.1 -0.491 82.5-148.0-137.2 72.3 16.1 38.6 7.2 62 62 A P - 0 0 41 0, 0.0 6,-0.3 0, 0.0 -3,-0.1 0.192 19.1-138.3 -39.8 140.3 12.6 37.4 5.9 63 63 A D S S+ 0 0 127 1,-0.2 5,-0.0 -5,-0.1 -5,-0.0 0.893 108.4 54.4 -65.6 -40.3 11.8 34.6 3.4 64 64 A T S S+ 0 0 126 3,-0.0 -1,-0.2 2,-0.0 5,-0.1 0.879 83.2 90.2 -61.1 -47.6 9.3 37.0 1.9 65 65 A D S > S- 0 0 65 1,-0.2 3,-1.5 3,-0.1 0, 0.0 -0.440 71.5-149.0 -59.7 112.5 11.7 39.9 1.3 66 66 A P G > S+ 0 0 101 0, 0.0 3,-2.0 0, 0.0 -1,-0.2 0.713 89.3 71.9 -55.1 -29.4 13.0 39.2 -2.3 67 67 A A G 3 S+ 0 0 75 1,-0.3 -2,-0.1 3,-0.1 -3,-0.0 0.837 91.5 59.7 -60.3 -29.9 16.4 40.7 -1.6 68 68 A F G X S+ 0 0 42 -3,-1.5 3,-0.6 -6,-0.3 2,-0.3 0.264 80.5 120.6 -82.6 12.6 17.1 37.7 0.5 69 69 A K T < S- 0 0 162 -3,-2.0 -34,-0.3 1,-0.2 3,-0.2 -0.639 90.0 -4.1 -80.7 134.9 16.6 35.5 -2.5 70 70 A G T 3 S+ 0 0 56 -36,-3.3 -1,-0.2 -35,-0.3 -35,-0.2 0.512 100.3 175.0 59.5 6.6 19.6 33.4 -3.4 71 71 A A < - 0 0 17 -3,-0.6 -35,-2.3 -37,-0.4 2,-0.8 -0.076 40.0-116.2 -52.4 129.1 21.2 35.4 -0.6 72 72 A D >> - 0 0 66 1,-0.2 3,-2.1 -37,-0.2 4,-1.3 -0.543 23.3-150.0 -66.0 105.4 24.7 34.5 0.4 73 73 A S H 3> S+ 0 0 0 -2,-0.8 4,-3.1 1,-0.3 -1,-0.2 0.765 92.8 67.8 -52.7 -26.6 24.1 33.3 4.0 74 74 A R H 3> S+ 0 0 32 2,-0.2 4,-2.9 1,-0.2 -1,-0.3 0.830 98.3 52.6 -64.1 -31.2 27.6 34.5 5.0 75 75 A E H <> S+ 0 0 114 -3,-2.1 4,-2.6 2,-0.2 5,-0.3 0.995 108.5 48.1 -65.0 -56.5 26.3 38.0 4.4 76 76 A L H X S+ 0 0 16 -4,-1.3 4,-2.9 1,-0.2 5,-0.3 0.896 113.9 49.8 -47.7 -44.0 23.3 37.4 6.7 77 77 A L H X S+ 0 0 0 -4,-3.1 4,-3.0 1,-0.2 -1,-0.2 0.945 108.9 49.0 -60.0 -54.1 25.8 35.9 9.2 78 78 A R H X S+ 0 0 86 -4,-2.9 4,-2.0 2,-0.2 -1,-0.2 0.840 115.0 46.5 -55.7 -36.7 28.2 38.9 9.0 79 79 A E H X S+ 0 0 55 -4,-2.6 4,-2.6 2,-0.3 5,-0.3 0.958 111.5 48.0 -71.5 -53.0 25.3 41.3 9.5 80 80 A A H X S+ 0 0 0 -4,-2.9 4,-1.8 -5,-0.3 -2,-0.2 0.905 114.4 51.0 -55.7 -33.9 23.7 39.4 12.4 81 81 A W H X S+ 0 0 8 -4,-3.0 4,-2.4 -5,-0.3 -1,-0.3 0.898 107.9 51.5 -69.6 -40.4 27.3 39.4 13.7 82 82 A R H X S+ 0 0 123 -4,-2.0 4,-2.3 2,-0.2 3,-0.4 0.987 110.6 46.5 -57.6 -60.8 27.6 43.1 13.2 83 83 A R H X S+ 0 0 88 -4,-2.6 4,-2.0 1,-0.3 -1,-0.2 0.854 111.3 54.7 -51.2 -36.7 24.4 43.9 15.1 84 84 A I H <>S+ 0 0 0 -4,-1.8 5,-1.5 -5,-0.3 -1,-0.3 0.933 107.3 48.1 -64.4 -45.2 25.6 41.5 17.8 85 85 A Q H ><5S+ 0 0 96 -4,-2.4 3,-1.6 -3,-0.4 -1,-0.2 0.866 107.6 57.1 -63.8 -34.3 28.9 43.3 18.2 86 86 A A H 3<5S+ 0 0 76 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.910 96.8 60.6 -63.3 -40.3 27.0 46.6 18.4 87 87 A K T 3<5S- 0 0 93 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.461 129.1-104.9 -66.9 4.0 25.0 45.2 21.3 88 88 A G T < 5S+ 0 0 57 -3,-1.6 2,-0.2 1,-0.2 -3,-0.2 0.739 76.2 133.9 82.2 24.5 28.5 45.0 22.8 89 89 A Y < - 0 0 35 -5,-1.5 2,-0.3 65,-0.0 -1,-0.2 -0.656 35.2-160.7-105.1 162.4 29.2 41.3 22.6 90 90 A T - 0 0 74 65,-1.2 65,-2.3 -2,-0.2 2,-0.1 -0.995 34.2 -87.9-141.4 144.7 32.3 39.4 21.4 91 91 A L E +B 154 0A 24 -2,-0.3 63,-0.2 29,-0.2 3,-0.1 -0.247 34.5 175.2 -59.6 121.0 32.8 35.9 20.2 92 92 A G E - 0 0 13 61,-3.0 2,-0.3 1,-0.3 62,-0.2 0.912 65.4 -69.8 -83.4 -59.2 33.5 33.4 22.9 93 93 A N E -B 153 0A 65 60,-1.6 60,-3.0 29,-0.0 -1,-0.3 -0.882 42.4-133.3 173.7 161.1 33.4 30.5 20.5 94 94 A V E -Bc 152 127A 1 32,-2.4 34,-1.8 -2,-0.3 2,-0.4 -0.938 7.8-163.0-132.2 151.2 30.9 28.5 18.3 95 95 A D E -Bc 151 128A 44 56,-2.8 56,-3.0 -2,-0.3 2,-0.4 -0.991 9.1-167.5-137.1 125.8 30.4 24.9 17.7 96 96 A V E -Bc 150 129A 0 32,-2.7 34,-1.5 -2,-0.4 2,-0.5 -0.945 4.9-164.9-118.0 135.2 28.4 23.6 14.8 97 97 A T E -Bc 149 130A 37 52,-3.2 52,-2.6 -2,-0.4 2,-0.6 -0.979 7.6-156.1-121.6 120.4 27.1 20.0 14.3 98 98 A I E -Bc 148 131A 0 32,-2.5 34,-2.7 -2,-0.5 2,-0.9 -0.867 2.2-163.0 -96.5 122.4 25.9 19.0 10.8 99 99 A I E +Bc 147 132A 29 48,-1.9 48,-2.3 -2,-0.6 2,-0.3 -0.876 37.7 133.9-107.1 96.4 23.5 16.1 10.9 100 100 A A - 0 0 7 32,-2.1 5,-0.1 -2,-0.9 46,-0.1 -0.993 51.4-151.8-145.1 145.0 23.5 14.9 7.4 101 101 A Q S S+ 0 0 55 39,-0.4 32,-0.1 1,-0.4 -1,-0.1 0.766 77.2 53.3 -83.3 -32.5 23.7 11.4 5.8 102 102 A A S S+ 0 0 27 38,-0.1 -1,-0.4 1,-0.1 2,-0.2 -0.925 78.7 36.0-167.7 155.3 25.4 12.9 2.7 103 103 A P S S- 0 0 16 0, 0.0 2,-1.0 0, 0.0 3,-0.1 0.456 84.3-103.4 -77.0 175.4 27.4 14.4 1.2 104 104 A K - 0 0 156 1,-0.2 4,-0.3 -2,-0.2 -2,-0.1 -0.499 37.3-176.2 -67.1 99.9 30.6 13.9 3.2 105 105 A M >> + 0 0 5 -2,-1.0 3,-2.2 1,-0.2 4,-1.1 0.893 61.7 87.2 -65.2 -37.3 31.0 17.1 5.1 106 106 A L G >4 S+ 0 0 111 1,-0.3 3,-0.7 2,-0.2 -1,-0.2 0.706 84.0 47.2 -32.9 -61.0 34.4 16.1 6.5 107 107 A P G 34 S+ 0 0 86 0, 0.0 4,-0.3 0, 0.0 -1,-0.3 0.738 113.8 50.3 -61.1 -22.4 36.9 17.2 3.8 108 108 A H G X> S+ 0 0 43 -3,-2.2 4,-1.9 -4,-0.3 3,-0.6 0.706 84.2 91.8 -89.5 -18.0 35.2 20.6 3.5 109 109 A I H S+ 0 0 68 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.908 109.9 48.8 -59.7 -44.3 38.5 23.3 7.4 111 111 A Q H <> S+ 0 0 88 -3,-0.6 4,-2.5 -4,-0.3 -2,-0.2 0.888 110.6 52.9 -61.1 -36.1 37.5 25.6 4.6 112 112 A M H X S+ 0 0 0 -4,-1.9 4,-3.2 1,-0.2 5,-0.3 0.948 106.9 50.9 -62.4 -48.9 34.2 26.2 6.5 113 113 A R H X S+ 0 0 65 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.852 109.4 52.6 -58.7 -32.7 36.2 27.1 9.6 114 114 A V H X S+ 0 0 45 -4,-2.0 4,-1.5 -5,-0.2 -1,-0.2 0.953 112.4 43.4 -67.9 -47.0 38.1 29.5 7.5 115 115 A F H X S+ 0 0 45 -4,-2.5 4,-2.5 -94,-0.2 -2,-0.2 0.897 117.1 45.6 -63.4 -43.9 35.0 31.1 6.2 116 116 A I H X S+ 0 0 1 -4,-3.2 4,-2.5 -95,-0.2 5,-0.3 0.923 112.1 49.7 -69.4 -42.7 33.2 31.2 9.5 117 117 A A H X>S+ 0 0 7 -4,-2.3 5,-2.2 -5,-0.3 4,-1.2 0.794 112.3 50.3 -66.9 -29.7 36.2 32.5 11.4 118 118 A E H ><5S+ 0 0 125 -4,-1.5 3,-0.9 3,-0.2 -2,-0.2 0.992 110.6 47.0 -68.2 -62.3 36.6 35.2 8.8 119 119 A D H 3<5S+ 0 0 17 -4,-2.5 -2,-0.2 1,-0.3 -3,-0.2 0.832 120.4 39.2 -45.6 -44.1 33.0 36.3 9.0 120 120 A L H 3<5S- 0 0 4 -4,-2.5 -1,-0.3 -5,-0.2 -29,-0.2 0.703 106.7-130.3 -81.4 -21.6 33.1 36.4 12.8 121 121 A G T <<5 + 0 0 65 -4,-1.2 -3,-0.2 -3,-0.9 2,-0.2 0.905 66.7 113.4 72.7 43.1 36.6 37.8 12.8 122 122 A C S - 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