==== 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 1U40 . 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) . 7557.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 107 69.0 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 2 0 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 0 175 0, 0.0 2,-0.3 0, 0.0 154,-0.3 0.000 360.0 360.0 360.0 134.2 29.0 35.4 29.0 2 2 A R E -A 154 0A 116 152,-2.8 152,-3.1 2,-0.0 2,-0.3 -0.929 360.0-144.8-123.3 146.5 25.9 34.3 27.1 3 3 A I E -A 153 0A 136 -2,-0.3 2,-0.3 150,-0.2 150,-0.2 -0.813 15.7-172.1-109.4 147.6 24.9 31.0 25.5 4 4 A G E -A 152 0A 6 148,-2.3 148,-1.5 -2,-0.3 2,-0.4 -0.963 8.6-159.2-139.5 155.9 22.9 30.5 22.3 5 5 A H E +A 151 0A 107 41,-0.3 2,-0.3 -2,-0.3 146,-0.2 -0.997 10.0 178.7-137.9 135.4 21.3 27.7 20.4 6 6 A G E -A 150 0A 3 144,-2.3 144,-1.8 -2,-0.4 2,-0.3 -0.877 3.2-177.0-130.7 160.3 20.3 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 -0.960 7.8 169.7-155.6 141.5 18.8 24.6 14.7 8 8 A D E -A 148 0A 34 140,-2.2 140,-2.0 -2,-0.3 2,-0.3 -0.993 12.4-168.0-155.2 157.7 17.9 24.4 11.0 9 9 A V E -A 147 0A 47 -2,-0.3 2,-0.3 138,-0.2 138,-0.2 -0.992 2.4-173.1-146.9 143.6 16.8 22.0 8.2 10 10 A H E -A 146 0A 32 136,-2.2 136,-2.3 -2,-0.3 2,-0.3 -0.996 22.8-125.6-140.8 138.8 16.5 22.2 4.4 11 11 A A E -A 145 0A 51 21,-0.5 21,-3.5 -2,-0.3 134,-0.3 -0.616 26.7-113.0 -85.0 145.8 15.0 19.7 2.0 12 12 A F E +D 31 0B 21 132,-2.0 19,-0.3 -2,-0.3 2,-0.2 -0.398 49.0 151.8 -71.0 153.7 17.0 18.3 -0.9 13 13 A G E + 0 0 19 17,-2.9 17,-0.4 1,-0.1 2,-0.0 -0.806 40.1 1.2 177.2 138.2 15.7 19.3 -4.3 14 14 A G E S- 0 0 54 -2,-0.2 16,-0.7 15,-0.1 2,-0.2 -0.278 97.8 -28.8 78.2-160.6 17.0 19.9 -7.8 15 15 A E E S-D 29 0B 168 14,-0.3 14,-0.3 1,-0.1 16,-0.2 -0.593 77.3 -87.4 -93.3 153.2 20.5 19.4 -9.0 16 16 A G + 0 0 28 12,-1.7 14,-0.2 11,-0.4 -1,-0.1 -0.016 69.3 93.6 -68.3-176.5 23.6 19.8 -6.9 17 17 A P - 0 0 37 0, 0.0 14,-0.4 0, 0.0 2,-0.3 0.611 50.9-152.7 -87.9 178.5 26.0 21.2 -5.5 18 18 A I E -E 25 0C 2 7,-2.9 7,-2.8 12,-0.2 2,-0.5 -0.757 8.7-136.5-111.7 158.5 25.0 22.3 -2.0 19 19 A I E +E 24 0C 42 17,-0.4 2,-0.4 -2,-0.3 20,-0.3 -0.983 30.7 165.5-117.8 115.7 26.4 25.1 0.0 20 20 A I E > S-E 23 0C 0 3,-2.2 3,-1.4 -2,-0.5 18,-0.1 -0.979 71.6 -7.9-132.4 122.4 27.1 24.3 3.7 21 21 A G T 3 S- 0 0 0 -2,-0.4 95,-0.3 1,-0.3 94,-0.2 0.794 128.4 -59.8 64.8 26.0 29.2 26.5 5.9 22 22 A G T 3 S+ 0 0 17 1,-0.3 -1,-0.3 93,-0.1 2,-0.2 0.040 111.9 120.7 90.3 -25.9 30.1 28.5 2.9 23 23 A V E < -E 20 0C 15 -3,-1.4 -3,-2.2 85,-0.1 2,-1.0 -0.479 64.0-133.2 -79.2 136.8 31.7 25.6 1.1 24 24 A R E -E 19 0C 180 -5,-0.2 -5,-0.2 -2,-0.2 -1,-0.1 -0.800 30.3-169.0 -88.6 103.2 30.3 24.5 -2.3 25 25 A I E -E 18 0C 1 -7,-2.8 -7,-2.9 -2,-1.0 2,-0.2 -0.852 19.8-124.6 -98.8 126.7 30.0 20.8 -1.8 26 26 A P + 0 0 96 0, 0.0 2,-0.3 0, 0.0 3,-0.1 -0.522 43.3 154.9 -71.1 135.1 29.3 18.6 -4.8 27 27 A Y - 0 0 43 -2,-0.2 -11,-0.4 1,-0.2 -2,-0.0 -0.981 52.1-113.9-155.8 155.4 26.2 16.3 -4.4 28 28 A E S S+ 0 0 141 -2,-0.3 -12,-1.7 -13,-0.1 2,-0.2 0.962 103.1 29.1 -55.1 -59.2 23.7 14.6 -6.7 29 29 A K E S-D 15 0B 54 -14,-0.3 -14,-0.3 -3,-0.1 2,-0.2 -0.545 79.3-141.2 -99.1 166.2 20.8 16.7 -5.5 30 30 A G E - 0 0 2 -16,-0.7 -17,-2.9 -17,-0.4 2,-0.4 -0.431 25.8 -86.9-114.1-168.7 20.8 20.2 -4.1 31 31 A L E -D 12 0B 27 -14,-0.4 2,-0.4 -19,-0.3 -19,-0.2 -0.901 27.6-133.5-113.1 131.9 19.0 22.1 -1.3 32 32 A L + 0 0 99 -21,-3.5 -21,-0.5 -2,-0.4 2,-0.3 -0.672 47.8 128.9 -80.7 126.0 15.6 23.8 -1.6 33 33 A A - 0 0 42 -2,-0.4 -23,-0.0 2,-0.2 -2,-0.0 -0.961 63.9-125.4-174.4 154.3 15.6 27.4 -0.1 34 34 A H S S+ 0 0 49 -2,-0.3 36,-3.0 35,-0.1 37,-0.2 0.969 109.8 33.4 -63.7 -55.5 14.7 31.1 -0.4 35 35 A S S S- 0 0 15 34,-0.3 -2,-0.2 35,-0.2 37,-0.2 0.306 126.4 -70.5 -76.8-151.1 18.4 31.9 0.5 36 36 A D - 0 0 40 35,-1.3 -17,-0.4 2,-0.1 3,-0.2 0.343 65.1-122.7 -89.1 5.2 21.2 29.6 -0.5 37 37 A G + 0 0 0 1,-0.2 2,-2.0 34,-0.2 3,-0.1 0.695 45.4 171.5 61.8 25.1 19.9 27.2 2.0 38 38 A D > - 0 0 0 1,-0.2 4,-2.4 2,-0.1 3,-0.4 -0.418 10.3-173.9 -68.5 84.6 23.1 27.0 3.9 39 39 A V H > S+ 0 0 0 -2,-2.0 4,-2.6 -20,-0.3 -1,-0.2 0.843 78.9 54.0 -48.2 -41.9 21.7 24.9 6.9 40 40 A A H > S+ 0 0 3 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.892 111.3 42.5 -65.1 -43.6 25.0 25.2 8.8 41 41 A L H > S+ 0 0 0 -3,-0.4 4,-2.7 2,-0.2 -1,-0.2 0.828 113.0 52.6 -77.2 -26.6 25.2 29.0 8.7 42 42 A H H X S+ 0 0 15 -4,-2.4 4,-2.3 2,-0.2 5,-0.3 0.985 112.2 45.9 -68.6 -50.3 21.5 29.5 9.4 43 43 A A H X S+ 0 0 0 -4,-2.6 4,-1.5 1,-0.2 -2,-0.2 0.939 114.5 48.6 -56.6 -44.9 21.9 27.3 12.4 44 44 A L H X S+ 0 0 0 -4,-2.5 4,-1.9 1,-0.2 3,-0.3 0.918 109.3 52.8 -60.4 -45.3 25.0 29.1 13.4 45 45 A T H X S+ 0 0 0 -4,-2.7 4,-3.1 1,-0.2 5,-0.3 0.919 107.6 49.9 -56.4 -50.1 23.4 32.5 13.0 46 46 A D H X S+ 0 0 31 -4,-2.3 4,-2.6 1,-0.2 -41,-0.3 0.811 107.5 55.6 -59.3 -34.0 20.4 31.7 15.2 47 47 A A H X S+ 0 0 0 -4,-1.5 4,-2.3 -3,-0.3 105,-0.3 0.923 112.2 42.1 -65.7 -43.3 22.8 30.5 17.9 48 48 A L H X S+ 0 0 0 -4,-1.9 4,-1.6 2,-0.2 -2,-0.2 0.950 118.0 44.3 -67.8 -52.1 24.7 33.9 17.9 49 49 A L H X>S+ 0 0 0 -4,-3.1 5,-2.7 1,-0.2 4,-0.8 0.922 112.7 56.0 -58.3 -41.6 21.5 36.0 17.6 50 50 A G H ><5S+ 0 0 30 -4,-2.6 3,-1.1 -5,-0.3 -2,-0.2 0.936 108.1 44.8 -56.2 -50.0 20.0 33.7 20.3 51 51 A A H 3<5S+ 0 0 1 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.752 113.9 50.9 -67.1 -24.4 22.9 34.4 22.7 52 52 A A H 3<5S- 0 0 0 -4,-1.6 -1,-0.3 -3,-0.2 -2,-0.2 0.550 111.5-123.8 -88.0 -7.2 22.7 38.1 22.0 53 53 A A T <<5S+ 0 0 54 -3,-1.1 -3,-0.2 -4,-0.8 -2,-0.1 0.862 73.5 128.7 66.1 37.5 18.9 38.0 22.6 54 54 A L < - 0 0 35 -5,-2.7 2,-0.8 1,-0.2 -4,-0.2 0.335 68.2-122.8-104.0 8.6 18.2 39.4 19.2 55 55 A G - 0 0 42 -6,-0.5 2,-0.3 -5,-0.2 -1,-0.2 -0.824 48.8 -49.9 98.1-111.8 15.7 36.7 18.3 56 56 A D >> - 0 0 72 -2,-0.8 4,-1.8 -7,-0.1 3,-1.6 -0.964 50.5 -88.9-159.1 173.2 16.5 34.7 15.1 57 57 A I H 3> S+ 0 0 26 1,-0.3 4,-3.2 -2,-0.3 -1,-0.1 0.899 120.3 55.6 -58.7 -43.5 17.4 34.9 11.4 58 58 A G H 34 S+ 0 0 42 1,-0.2 5,-0.3 2,-0.2 -1,-0.3 0.553 106.2 53.5 -69.2 -9.6 13.8 35.0 10.2 59 59 A K H <4 S+ 0 0 134 -3,-1.6 -1,-0.2 2,-0.1 -2,-0.2 0.890 116.1 35.3 -87.6 -51.7 13.2 38.0 12.4 60 60 A L H < S+ 0 0 27 -4,-1.8 -2,-0.2 1,-0.3 -3,-0.1 0.885 132.6 27.7 -68.1 -42.4 16.1 40.1 11.1 61 61 A F S < S- 0 0 15 -4,-3.2 -1,-0.3 -5,-0.2 -2,-0.1 -0.745 91.2-135.4-126.6 85.6 15.9 38.9 7.5 62 62 A P > - 0 0 45 0, 0.0 3,-0.7 0, 0.0 6,-0.3 -0.026 6.0-138.4 -43.5 128.8 12.3 37.9 6.6 63 63 A D T 3 S+ 0 0 124 -5,-0.3 -4,-0.1 1,-0.3 -5,-0.0 0.853 107.3 48.6 -55.9 -35.5 11.8 34.6 4.7 64 64 A T T 3 S+ 0 0 130 3,-0.0 -1,-0.3 5,-0.0 5,-0.1 0.706 81.5 104.0 -80.5 -25.7 9.2 36.5 2.6 65 65 A D X - 0 0 68 -3,-0.7 3,-1.2 1,-0.2 -4,-0.0 -0.501 68.8-143.0 -63.6 118.6 11.3 39.6 1.9 66 66 A P G > S+ 0 0 104 0, 0.0 3,-1.4 0, 0.0 -1,-0.2 0.637 90.9 72.1 -57.6 -21.8 12.3 39.1 -1.9 67 67 A A G 3 S+ 0 0 77 1,-0.3 -2,-0.1 3,-0.1 -3,-0.0 0.809 92.5 57.1 -67.4 -29.2 15.8 40.7 -1.4 68 68 A F G X S+ 0 0 39 -3,-1.2 3,-1.1 -6,-0.3 2,-1.0 0.302 76.4 123.5 -83.5 7.6 16.9 37.6 0.5 69 69 A K T < S- 0 0 164 -3,-1.4 -34,-0.3 1,-0.3 3,-0.1 -0.644 94.1 -3.5 -76.1 105.7 16.0 35.4 -2.4 70 70 A G T 3 S+ 0 0 52 -36,-3.0 -1,-0.3 -2,-1.0 -35,-0.2 0.367 98.9 170.8 91.5 0.8 19.2 33.6 -3.3 71 71 A A < - 0 0 14 -3,-1.1 -35,-1.3 -37,-0.2 2,-0.5 -0.083 41.6-111.9 -50.7 132.2 20.9 35.6 -0.5 72 72 A D >> - 0 0 65 1,-0.2 3,-1.5 -37,-0.2 4,-1.5 -0.529 22.0-145.3 -66.6 114.3 24.4 34.5 0.5 73 73 A S H 3> S+ 0 0 0 -2,-0.5 4,-2.4 1,-0.3 -1,-0.2 0.704 99.0 61.5 -58.2 -21.5 24.0 33.1 4.0 74 74 A R H 3> S+ 0 0 33 2,-0.2 4,-2.7 1,-0.2 -1,-0.3 0.795 100.2 56.2 -73.8 -28.7 27.5 34.4 4.9 75 75 A E H <> S+ 0 0 116 -3,-1.5 4,-1.9 2,-0.2 -2,-0.2 0.957 109.8 43.2 -65.0 -48.6 26.0 37.9 4.1 76 76 A L H X S+ 0 0 18 -4,-1.5 4,-2.7 1,-0.2 5,-0.3 0.919 113.0 54.1 -62.1 -41.7 23.3 37.3 6.7 77 77 A L H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.946 108.3 48.2 -57.6 -48.5 25.8 35.8 9.1 78 78 A R H X S+ 0 0 98 -4,-2.7 4,-1.9 2,-0.2 -1,-0.2 0.849 113.6 47.1 -62.2 -36.2 28.0 38.9 8.9 79 79 A E H X S+ 0 0 53 -4,-1.9 4,-3.1 2,-0.2 5,-0.3 0.962 110.6 49.9 -69.1 -54.0 25.1 41.3 9.4 80 80 A A H X S+ 0 0 0 -4,-2.7 4,-2.1 1,-0.3 -2,-0.2 0.888 114.0 48.9 -51.6 -38.0 23.7 39.4 12.3 81 81 A W H X S+ 0 0 10 -4,-2.2 4,-2.8 -5,-0.3 -1,-0.3 0.876 108.4 51.8 -70.8 -37.8 27.2 39.5 13.7 82 82 A R H X S+ 0 0 126 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.959 112.9 45.6 -61.8 -49.3 27.6 43.2 13.1 83 83 A R H X S+ 0 0 91 -4,-3.1 4,-1.6 1,-0.2 -2,-0.2 0.883 111.9 52.3 -60.8 -39.4 24.3 43.9 14.9 84 84 A I H <>S+ 0 0 0 -4,-2.1 5,-1.7 -5,-0.3 3,-0.2 0.931 109.7 47.7 -64.5 -44.6 25.4 41.5 17.7 85 85 A Q H ><5S+ 0 0 97 -4,-2.8 3,-1.8 1,-0.2 -1,-0.2 0.877 107.6 56.6 -63.7 -38.6 28.7 43.3 18.2 86 86 A A H 3<5S+ 0 0 77 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.854 97.9 60.7 -60.8 -37.0 27.0 46.7 18.2 87 87 A K T 3<5S- 0 0 101 -4,-1.6 -1,-0.3 -3,-0.2 -2,-0.2 0.445 131.5 -98.5 -70.4 1.8 24.8 45.4 21.1 88 88 A G T < 5S+ 0 0 58 -3,-1.8 -3,-0.2 1,-0.3 -2,-0.2 0.524 77.9 135.6 96.5 10.1 28.2 45.1 22.8 89 89 A Y < - 0 0 31 -5,-1.7 2,-0.3 65,-0.0 -1,-0.3 -0.485 33.9-163.2 -95.2 160.4 29.1 41.4 22.4 90 90 A T - 0 0 73 65,-1.1 65,-3.2 -2,-0.1 2,-0.2 -0.962 35.0 -94.4-133.7 149.7 32.3 39.6 21.5 91 91 A L E +B 154 0A 24 -2,-0.3 63,-0.2 63,-0.2 3,-0.1 -0.437 33.3 176.5 -71.5 134.2 32.7 36.0 20.3 92 92 A G E - 0 0 15 61,-2.8 2,-0.3 1,-0.3 62,-0.2 0.839 62.7 -66.6 -93.9 -65.1 33.5 33.4 22.9 93 93 A N E -B 153 0A 70 60,-1.4 60,-2.4 29,-0.0 2,-0.3 -0.931 41.7-137.2 179.7 160.4 33.3 30.4 20.5 94 94 A V E -Bc 152 127A 1 32,-2.2 34,-1.4 -2,-0.3 2,-0.4 -0.913 6.7-163.6-130.8 154.8 30.9 28.4 18.4 95 95 A D E -Bc 151 128A 45 56,-2.4 56,-2.5 -2,-0.3 2,-0.4 -0.981 9.1-164.6-141.4 127.2 30.4 24.7 17.7 96 96 A V E -Bc 150 129A 1 32,-1.8 34,-1.4 -2,-0.4 2,-0.5 -0.889 6.7-164.8-115.2 143.7 28.4 23.4 14.8 97 97 A T E -Bc 149 130A 39 52,-3.1 52,-2.8 -2,-0.4 2,-0.5 -0.946 8.7-158.6-130.6 107.8 27.0 19.9 14.3 98 98 A I E -Bc 148 131A 1 32,-2.9 34,-2.2 -2,-0.5 2,-0.8 -0.789 4.7-157.7 -87.8 125.6 25.9 19.0 10.8 99 99 A I E +Bc 147 132A 25 48,-2.4 48,-2.3 -2,-0.5 2,-0.3 -0.902 36.7 133.6-108.0 102.7 23.5 16.1 10.8 100 100 A A - 0 0 6 32,-2.6 5,-0.2 -2,-0.8 46,-0.1 -0.985 51.9-149.2-151.7 140.5 23.5 14.5 7.3 101 101 A Q S S+ 0 0 54 39,-0.5 32,-0.1 1,-0.5 -1,-0.1 0.797 82.3 36.6 -75.2 -33.1 23.7 11.0 6.0 102 102 A A S S+ 0 0 37 38,-0.2 -1,-0.5 -3,-0.1 2,-0.2 -0.898 77.5 54.7-170.0 157.5 25.5 12.4 3.0 103 103 A P S S- 0 0 17 0, 0.0 2,-0.8 0, 0.0 -76,-0.1 0.443 81.4-108.6 -70.9 177.0 27.4 14.1 1.5 104 104 A K - 0 0 152 -2,-0.2 4,-0.2 1,-0.2 -2,-0.1 -0.671 35.0-176.5 -76.9 109.7 30.7 13.7 3.3 105 105 A M >> + 0 0 5 -2,-0.8 3,-2.4 1,-0.2 4,-0.8 0.855 60.0 89.7 -77.4 -30.5 31.2 16.9 5.2 106 106 A L G >4 S+ 0 0 116 1,-0.3 3,-1.2 2,-0.2 -1,-0.2 0.759 84.5 46.2 -36.8 -57.7 34.6 15.9 6.6 107 107 A P G 34 S+ 0 0 86 0, 0.0 4,-0.3 0, 0.0 -1,-0.3 0.710 112.6 52.9 -64.4 -17.7 36.9 17.1 3.8 108 108 A H G <> S+ 0 0 44 -3,-2.4 4,-2.2 -4,-0.2 -2,-0.2 0.559 84.5 87.4 -94.1 -8.8 35.1 20.5 3.6 109 109 A I H S+ 0 0 72 0, 0.0 4,-1.2 0, 0.0 -1,-0.2 0.956 113.9 42.2 -56.6 -47.0 38.7 23.1 7.3 111 111 A Q H > S+ 0 0 88 -4,-0.3 4,-2.1 2,-0.2 3,-0.2 0.865 111.1 56.1 -64.9 -38.0 37.5 25.5 4.6 112 112 A M H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.932 108.1 49.2 -59.0 -45.0 34.1 25.8 6.3 113 113 A R H X S+ 0 0 62 -4,-3.0 4,-1.9 1,-0.2 -1,-0.2 0.744 107.3 54.6 -65.8 -28.1 36.0 27.0 9.4 114 114 A V H X S+ 0 0 46 -4,-1.2 4,-1.4 -3,-0.2 -1,-0.2 0.919 111.0 44.8 -71.1 -45.4 38.1 29.5 7.4 115 115 A F H X S+ 0 0 46 -4,-2.1 4,-2.8 -94,-0.2 5,-0.2 0.950 115.8 45.9 -62.3 -53.2 34.9 31.1 6.0 116 116 A I H X S+ 0 0 2 -4,-2.4 4,-2.3 -95,-0.3 5,-0.2 0.935 112.2 49.4 -58.3 -49.7 33.1 31.2 9.4 117 117 A A H X>S+ 0 0 6 -4,-1.9 5,-2.2 2,-0.2 4,-0.8 0.802 112.5 51.1 -61.1 -29.8 36.1 32.5 11.3 118 118 A E H ><5S+ 0 0 122 -4,-1.4 3,-1.5 3,-0.2 -2,-0.2 0.990 110.2 46.2 -67.6 -60.8 36.5 35.2 8.7 119 119 A D H 3<5S+ 0 0 12 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.764 120.3 41.1 -50.8 -32.9 32.8 36.3 8.8 120 120 A L H 3<5S- 0 0 3 -4,-2.3 -1,-0.3 -5,-0.2 -29,-0.2 0.564 105.4-129.7 -93.2 -13.5 33.1 36.3 12.6 121 121 A G T <<5 + 0 0 67 -3,-1.5 2,-0.2 -4,-0.8 -3,-0.2 0.910 66.9 115.2 65.4 44.5 36.5 37.9 12.7 122 122 A C S - 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