==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 01-FEB-07 2JFG . COMPND 2 MOLECULE: UDP-N-ACETYLMURAMOYLALANINE--D-GLUTAMATE LIGASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR M.KOTNIK,J.HUMLJAN,C.CONTRERAS-MARTEL,M.OBLAK,K.KRISTAN, . 439 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18682.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 310 70.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 65 14.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 24 5.5 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 . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.7 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 . 34 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 62 14.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 101 23.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.9 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 2 1 0 4 0 2 0 1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 5 6 1 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 . 2 0 0 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 2 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 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 A 0 0 70 0, 0.0 2,-0.5 0, 0.0 96,-0.0 0.000 360.0 360.0 360.0 159.7 29.5 30.0 -1.0 2 2 A D + 0 0 98 1,-0.1 0, 0.0 2,-0.1 0, 0.0 -0.973 360.0 169.9-124.0 126.9 32.2 32.6 -0.3 3 3 A Y > + 0 0 5 -2,-0.5 3,-1.9 24,-0.1 -1,-0.1 0.202 29.7 144.0-112.6 11.4 34.1 32.9 2.9 4 4 A Q T 3 S- 0 0 100 1,-0.3 3,-0.1 25,-0.1 25,-0.1 -0.318 76.3 -0.4 -63.2 130.0 36.7 35.4 1.8 5 5 A G T 3 S+ 0 0 82 23,-0.3 -1,-0.3 1,-0.2 2,-0.2 0.482 99.7 139.0 72.3 5.3 37.7 37.9 4.4 6 6 A K < - 0 0 84 -3,-1.9 2,-0.9 1,-0.1 -1,-0.2 -0.512 59.8-123.3 -85.2 149.4 35.3 36.3 7.0 7 7 A N - 0 0 53 -2,-0.2 59,-3.2 57,-0.1 60,-1.8 -0.848 38.4-169.7 -88.9 105.3 36.1 35.7 10.6 8 8 A V E -a 67 0A 1 -2,-0.9 24,-2.1 22,-0.4 2,-0.5 -0.885 10.9-170.6-109.5 126.1 35.5 31.9 10.9 9 9 A V E -ab 68 32A 0 58,-2.6 60,-3.3 -2,-0.5 2,-0.4 -0.977 6.1-158.7-118.5 125.9 35.4 30.0 14.2 10 10 A I E -ab 69 33A 0 22,-3.2 24,-2.5 -2,-0.5 2,-0.6 -0.879 5.1-152.4-103.2 131.0 35.4 26.2 14.4 11 11 A I E +ab 70 34A 3 58,-3.0 60,-2.5 -2,-0.4 24,-0.2 -0.946 63.2 43.6-103.6 121.2 34.1 24.4 17.5 12 12 A G - 0 0 6 22,-3.6 23,-0.2 -2,-0.6 22,-0.1 0.259 53.3-150.6 115.4 121.8 35.6 21.0 18.0 13 13 A L + 0 0 0 4,-0.1 29,-2.3 20,-0.1 30,-0.2 -0.346 68.5 95.7-114.2 47.5 39.1 19.7 17.7 14 14 A G S > S- 0 0 14 27,-0.2 4,-2.5 28,-0.1 5,-0.2 -0.248 100.6 -59.0-107.6-153.9 38.2 16.1 16.8 15 15 A L H > S+ 0 0 119 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.905 136.0 46.5 -60.5 -43.9 38.0 14.5 13.3 16 16 A T H > S+ 0 0 24 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.941 111.7 50.2 -64.3 -49.9 35.3 17.0 12.1 17 17 A G H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.920 110.4 49.6 -57.6 -45.7 37.1 20.1 13.4 18 18 A L H X S+ 0 0 19 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.914 109.5 51.8 -59.9 -41.9 40.4 19.1 11.8 19 19 A S H X S+ 0 0 6 -4,-2.0 4,-2.0 -5,-0.2 -1,-0.2 0.886 110.6 49.4 -62.1 -36.0 38.6 18.4 8.4 20 20 A C H X S+ 0 0 1 -4,-2.2 4,-2.4 2,-0.2 5,-0.2 0.874 107.0 54.3 -69.7 -38.9 37.1 21.9 8.7 21 21 A V H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 5,-0.2 0.945 111.7 45.1 -57.9 -47.5 40.5 23.5 9.4 22 22 A D H X S+ 0 0 94 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.898 110.6 55.0 -64.5 -40.1 41.9 21.9 6.3 23 23 A F H X S+ 0 0 25 -4,-2.0 4,-0.5 -5,-0.2 -1,-0.2 0.923 112.2 41.3 -58.2 -49.5 38.8 22.9 4.3 24 24 A F H ><>S+ 0 0 0 -4,-2.4 5,-2.2 1,-0.2 3,-1.4 0.933 113.0 52.5 -69.2 -44.9 39.1 26.6 5.1 25 25 A L H ><5S+ 0 0 61 -4,-2.4 3,-1.8 1,-0.3 -1,-0.2 0.895 104.1 58.1 -55.9 -40.6 42.9 26.8 4.8 26 26 A A H 3<5S+ 0 0 94 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.674 108.3 46.8 -67.2 -16.8 42.6 25.3 1.3 27 27 A R T <<5S- 0 0 66 -3,-1.4 -1,-0.3 -4,-0.5 -2,-0.2 0.130 125.8 -97.8-111.5 21.6 40.3 28.2 0.3 28 28 A G T < 5S+ 0 0 58 -3,-1.8 2,-0.4 1,-0.2 -23,-0.3 0.776 84.4 122.8 75.2 30.2 42.5 30.9 1.7 29 29 A V < - 0 0 8 -5,-2.2 -2,-0.2 -6,-0.1 -1,-0.2 -0.991 49.8-150.6-123.8 124.3 40.7 31.4 5.0 30 30 A T - 0 0 97 -2,-0.4 -22,-0.4 -24,-0.1 2,-0.1 -0.844 22.2-166.3 -93.4 109.1 42.5 31.1 8.4 31 31 A P - 0 0 1 0, 0.0 20,-0.4 0, 0.0 2,-0.3 -0.400 15.2-130.8 -87.1 168.5 40.0 29.9 11.0 32 32 A R E -b 9 0A 48 -24,-2.1 -22,-3.2 18,-0.1 2,-0.4 -0.906 22.9-150.2-112.9 150.5 40.3 29.8 14.7 33 33 A V E +bc 10 52A 0 18,-2.3 20,-1.8 -2,-0.3 2,-0.3 -0.962 15.9 176.7-129.4 137.5 39.4 26.7 16.6 34 34 A M E -bc 11 53A 0 -24,-2.5 -22,-3.6 -2,-0.4 2,-0.3 -0.936 4.2-178.3-132.4 159.7 38.0 26.0 20.1 35 35 A D E -Dc 56 54A 8 18,-1.8 21,-1.1 21,-0.6 20,-0.8 -0.969 30.3-136.5-155.1 141.1 36.9 23.0 22.2 36 36 A T S S+ 0 0 61 -2,-0.3 2,-0.2 19,-0.2 21,-0.1 0.761 83.7 92.8 -71.5 -24.1 35.5 22.6 25.7 37 37 A R S S- 0 0 109 1,-0.1 18,-1.6 18,-0.1 19,-0.3 -0.466 75.8-140.0 -66.9 138.7 37.8 19.6 26.3 38 38 A M S S+ 0 0 134 1,-0.3 -1,-0.1 16,-0.2 16,-0.1 0.920 96.7 18.5 -66.6 -43.4 41.1 20.6 27.9 39 39 A T S S- 0 0 118 15,-0.1 -1,-0.3 16,-0.1 -3,-0.0 -0.667 83.7-170.8-129.6 76.5 43.2 18.2 25.8 40 40 A P > - 0 0 3 0, 0.0 3,-1.5 0, 0.0 4,-0.3 -0.281 34.3-112.0 -69.1 156.7 41.1 17.2 22.7 41 41 A P T 3 S+ 0 0 88 0, 0.0 3,-0.4 0, 0.0 -27,-0.2 0.763 112.7 54.3 -63.3 -26.1 42.4 14.4 20.4 42 42 A G T >> S+ 0 0 2 -29,-2.3 3,-0.9 1,-0.2 4,-0.7 0.444 77.8 97.8 -85.7 -2.1 43.1 16.7 17.5 43 43 A L G X4 S+ 0 0 38 -3,-1.5 3,-0.9 1,-0.3 -1,-0.2 0.908 85.3 44.9 -56.6 -46.5 45.3 19.2 19.4 44 44 A D G 34 S+ 0 0 160 -3,-0.4 -1,-0.3 -4,-0.3 -2,-0.1 0.686 111.6 54.4 -70.3 -18.6 48.6 17.6 18.2 45 45 A K G <4 S+ 0 0 157 -3,-0.9 -1,-0.2 -4,-0.2 -2,-0.2 0.483 82.5 112.8 -94.0 -5.3 47.4 17.3 14.6 46 46 A L S << S- 0 0 12 -3,-0.9 6,-0.0 -4,-0.7 -28,-0.0 -0.448 78.1-104.0 -74.6 135.9 46.5 21.0 14.2 47 47 A P > - 0 0 41 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 -0.349 27.9-124.8 -55.6 140.6 48.6 23.2 11.8 48 48 A E T 3 S+ 0 0 191 1,-0.3 -2,-0.1 -3,-0.1 -3,-0.0 0.735 106.6 62.7 -64.4 -23.1 50.9 25.4 13.8 49 49 A A T 3 S+ 0 0 85 2,-0.1 2,-0.5 0, 0.0 -1,-0.3 0.585 84.8 93.8 -75.4 -11.9 49.5 28.6 12.1 50 50 A V S < S- 0 0 2 -3,-1.8 2,-0.2 -18,-0.0 -18,-0.1 -0.738 74.4-130.7 -94.8 125.5 46.0 28.0 13.5 51 51 A E - 0 0 108 -2,-0.5 -18,-2.3 -20,-0.4 2,-0.3 -0.498 30.5-169.0 -67.4 136.0 45.0 29.8 16.8 52 52 A R E -c 33 0A 93 -2,-0.2 2,-0.4 -20,-0.2 -18,-0.2 -0.951 18.2-168.2-133.2 153.6 43.4 27.4 19.3 53 53 A H E +c 34 0A 43 -20,-1.8 -18,-1.8 -2,-0.3 2,-0.3 -0.981 15.7 179.3-141.0 119.7 41.5 27.7 22.5 54 54 A T E +c 35 0A 42 -2,-0.4 -16,-0.2 -20,-0.2 -18,-0.2 -0.806 52.2 44.8-122.0 164.6 40.8 24.6 24.8 55 55 A G S S+ 0 0 30 -18,-1.6 2,-0.3 -20,-0.8 -19,-0.2 0.297 116.5 10.4 91.9 -7.4 39.1 23.9 28.1 56 56 A S B S-D 35 0A 54 -21,-1.1 -21,-0.6 -19,-0.3 2,-0.4 -0.947 90.6 -81.5-178.1 169.0 36.0 26.1 27.4 57 57 A L - 0 0 12 -2,-0.3 2,-0.7 -23,-0.1 -3,-0.1 -0.796 43.1-128.8 -87.5 140.3 34.3 28.0 24.6 58 58 A N > - 0 0 25 -2,-0.4 4,-2.3 1,-0.2 3,-0.1 -0.833 18.0-168.2 -92.8 109.7 35.8 31.4 24.0 59 59 A D H > S+ 0 0 85 -2,-0.7 4,-2.6 1,-0.2 5,-0.2 0.807 86.1 59.9 -70.2 -32.0 33.0 34.0 24.0 60 60 A E H > S+ 0 0 161 2,-0.2 4,-0.7 1,-0.2 -1,-0.2 0.916 111.0 41.5 -59.7 -41.9 35.3 36.7 22.6 61 61 A W H > S+ 0 0 29 2,-0.2 4,-0.7 1,-0.2 3,-0.3 0.910 115.7 48.9 -73.4 -42.1 35.9 34.6 19.6 62 62 A L H >< S+ 0 0 0 -4,-2.3 3,-1.0 1,-0.2 -2,-0.2 0.931 112.2 46.8 -63.2 -46.5 32.3 33.5 19.1 63 63 A M H 3< S+ 0 0 100 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.671 112.9 51.3 -73.0 -15.0 30.8 36.9 19.4 64 64 A A H 3< S+ 0 0 49 -4,-0.7 -1,-0.3 -3,-0.3 -2,-0.2 0.524 90.5 111.4 -92.0 -12.9 33.4 38.3 17.0 65 65 A A << - 0 0 8 -3,-1.0 -57,-0.2 -4,-0.7 3,-0.2 -0.295 50.9-165.7 -70.9 148.4 32.7 35.6 14.4 66 66 A D S S+ 0 0 84 -59,-3.2 24,-0.6 1,-0.4 2,-0.3 0.689 89.5 18.4 -90.8 -30.1 31.1 36.0 11.0 67 67 A L E -ae 8 90A 3 -60,-1.8 -58,-2.6 22,-0.1 2,-0.5 -0.987 66.4-159.0-144.9 130.6 30.6 32.3 10.7 68 68 A I E -ae 9 91A 0 22,-2.7 24,-2.5 -2,-0.3 2,-0.7 -0.961 7.8-160.3-108.3 124.7 30.6 29.6 13.5 69 69 A V E -ae 10 92A 1 -60,-3.3 -58,-3.0 -2,-0.5 2,-0.6 -0.929 13.2-160.2-108.5 107.7 31.3 26.0 12.3 70 70 A A E -a 11 0A 2 22,-3.0 24,-0.4 -2,-0.7 -58,-0.1 -0.812 11.7-137.2 -97.5 121.4 30.1 23.6 14.9 71 71 A S > - 0 0 13 -60,-2.5 3,-1.7 -2,-0.6 -59,-0.0 -0.330 32.7-110.1 -60.1 152.8 31.3 20.0 15.1 72 72 A P T 3 S+ 0 0 22 0, 0.0 -1,-0.1 0, 0.0 -60,-0.1 0.754 112.9 70.1 -62.3 -19.4 28.4 17.6 15.8 73 73 A G T 3 S+ 0 0 66 -62,-0.1 2,-0.5 2,-0.1 -61,-0.1 0.465 84.8 76.5 -80.6 -3.7 29.7 17.0 19.3 74 74 A I S < S- 0 0 21 -3,-1.7 2,-0.3 -63,-0.2 -63,-0.1 -0.923 83.5-125.6-107.1 133.0 28.9 20.5 20.6 75 75 A A > - 0 0 27 -2,-0.5 3,-1.9 1,-0.2 6,-0.2 -0.575 3.8-140.4 -75.9 136.6 25.3 21.2 21.5 76 76 A L T 3 S+ 0 0 52 -2,-0.3 9,-0.2 1,-0.3 -1,-0.2 0.787 105.5 64.7 -58.1 -26.2 23.6 24.2 19.9 77 77 A A T 3 + 0 0 76 109,-0.1 -1,-0.3 4,-0.1 -2,-0.0 0.479 69.1 123.6 -78.8 -4.5 22.1 24.6 23.4 78 78 A H S <> S- 0 0 54 -3,-1.9 4,-3.2 1,-0.1 3,-0.5 -0.400 73.8-122.4 -54.9 130.2 25.5 25.3 24.9 79 79 A P H > S+ 0 0 100 0, 0.0 4,-2.0 0, 0.0 -1,-0.1 0.830 109.7 47.7 -49.9 -37.9 25.0 28.7 26.6 80 80 A S H > S+ 0 0 19 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.880 116.0 43.1 -70.3 -39.3 27.9 30.3 24.7 81 81 A L H > S+ 0 0 0 -3,-0.5 4,-2.0 -6,-0.2 -1,-0.2 0.873 112.7 52.6 -76.7 -36.2 26.7 28.9 21.3 82 82 A S H X S+ 0 0 46 -4,-3.2 4,-2.4 2,-0.2 -2,-0.2 0.897 106.9 53.8 -63.4 -39.5 23.1 29.8 22.1 83 83 A A H X S+ 0 0 43 -4,-2.0 4,-1.5 -5,-0.3 -1,-0.2 0.896 107.3 50.8 -61.3 -40.0 24.1 33.4 22.9 84 84 A A H <>S+ 0 0 0 -4,-1.5 5,-2.3 2,-0.2 -1,-0.2 0.900 109.8 49.6 -65.3 -40.5 25.8 33.6 19.5 85 85 A A H ><5S+ 0 0 50 -4,-2.0 3,-1.9 1,-0.2 -2,-0.2 0.911 107.1 55.1 -61.7 -42.9 22.7 32.3 17.8 86 86 A D H 3<5S+ 0 0 135 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.821 104.4 55.3 -59.0 -32.8 20.6 34.9 19.7 87 87 A A T 3<5S- 0 0 59 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.403 121.0-110.0 -80.0 -1.9 23.0 37.6 18.3 88 88 A G T < 5 + 0 0 67 -3,-1.9 2,-0.4 1,-0.3 -3,-0.2 0.665 63.4 155.3 81.7 17.8 22.2 36.4 14.7 89 89 A I < - 0 0 25 -5,-2.3 -1,-0.3 1,-0.1 2,-0.2 -0.679 49.3-111.3 -82.5 129.3 25.6 34.9 14.1 90 90 A E E -e 67 0A 91 -24,-0.6 -22,-2.7 -2,-0.4 2,-0.4 -0.386 34.3-169.0 -64.7 128.5 25.5 32.2 11.4 91 91 A I E +e 68 0A 36 -24,-0.2 2,-0.3 -2,-0.2 -22,-0.2 -0.985 15.2 157.1-122.7 125.9 26.1 28.7 12.7 92 92 A V E -e 69 0A 4 -24,-2.5 -22,-3.0 -2,-0.4 2,-0.2 -0.879 27.3-134.7-135.2 168.1 26.6 25.7 10.4 93 93 A G > - 0 0 0 72,-1.2 4,-2.1 -2,-0.3 -22,-0.2 -0.625 38.7 -90.6-115.4-177.3 28.3 22.3 10.6 94 94 A D H > S+ 0 0 2 -24,-0.4 4,-2.4 1,-0.2 5,-0.1 0.845 124.7 56.5 -63.0 -34.3 30.6 20.4 8.3 95 95 A I H > S+ 0 0 0 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.898 106.2 50.3 -66.3 -39.3 27.7 18.7 6.5 96 96 A E H > S+ 0 0 0 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.949 110.3 49.8 -59.7 -48.2 26.3 22.2 5.6 97 97 A L H X S+ 0 0 0 -4,-2.1 4,-0.5 1,-0.2 -2,-0.2 0.910 111.9 49.9 -54.5 -42.9 29.7 23.2 4.3 98 98 A F H >X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 3,-1.6 0.927 106.9 52.3 -62.4 -48.7 29.8 20.0 2.2 99 99 A C H 3< S+ 0 0 17 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.843 105.1 57.2 -59.9 -34.7 26.3 20.5 0.7 100 100 A R H 3< S+ 0 0 56 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.652 118.4 32.0 -67.0 -17.5 27.3 24.0 -0.4 101 101 A E H << S+ 0 0 46 -3,-1.6 -2,-0.2 -4,-0.5 -1,-0.2 0.659 89.4 110.9-113.1 -25.8 30.2 22.6 -2.4 102 102 A A < - 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0 0 24 -19,-2.5 -17,-0.3 -2,-0.4 -14,-0.1 -0.856 42.2-118.5-130.5 168.0 33.7 -4.2 36.9 388 388 A E S S+ 0 0 136 -2,-0.3 -18,-2.4 -19,-0.2 2,-0.3 0.954 92.8 27.8 -68.8 -49.3 35.4 -0.9 36.2 389 389 A T S > S- 0 0 39 -20,-0.2 4,-1.8 1,-0.1 5,-0.1 -0.731 73.6-119.6-121.3 160.7 36.7 -1.9 32.7 390 390 A M H > S+ 0 0 2 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.860 113.9 57.4 -61.6 -40.8 35.9 -4.2 29.8 391 391 A E H > S+ 0 0 78 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.913 106.9 48.0 -59.1 -44.5 39.2 -6.0 30.2 392 392 A Q H > S+ 0 0 87 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.894 111.8 50.6 -61.5 -39.7 38.3 -6.8 33.8 393 393 A A H X S+ 0 0 0 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.913 110.6 49.3 -64.5 -42.4 34.9 -8.0 32.7 394 394 A M H X S+ 0 0 0 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.882 111.1 48.5 -64.6 -41.1 36.5 -10.2 30.0 395 395 A R H < S+ 0 0 98 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.783 112.5 50.1 -71.8 -27.0 39.0 -11.8 32.4 396 396 A L H < S+ 0 0 55 -4,-1.7 4,-0.3 -5,-0.2 -2,-0.2 0.865 116.2 40.0 -72.6 -41.7 36.1 -12.4 34.8 397 397 A L H >< S+ 0 0 0 -4,-2.3 3,-1.7 1,-0.2 4,-0.5 0.834 98.4 75.6 -79.0 -32.3 33.9 -14.1 32.2 398 398 A A G >< S+ 0 0 18 -4,-2.1 3,-1.6 1,-0.3 -1,-0.2 0.841 90.4 53.4 -56.4 -45.7 36.5 -16.1 30.4 399 399 A P G 3 S+ 0 0 105 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.738 108.4 54.2 -59.5 -21.0 37.0 -18.9 33.0 400 400 A R G < S+ 0 0 84 -3,-1.7 -2,-0.2 -4,-0.3 2,-0.2 0.521 81.3 115.3 -90.4 -9.0 33.3 -19.5 32.9 401 401 A V < - 0 0 26 -3,-1.6 -89,-0.1 -4,-0.5 6,-0.0 -0.441 43.7-173.5 -71.6 133.5 33.0 -20.0 29.1 402 402 A Q > - 0 0 111 -2,-0.2 3,-2.5 -64,-0.1 -64,-0.2 -0.897 38.7 -80.7-122.2 154.9 31.9 -23.5 28.0 403 403 A P T 3 S+ 0 0 101 0, 0.0 -91,-0.2 0, 0.0 -92,-0.2 -0.292 121.3 32.8 -53.5 132.4 31.6 -25.1 24.5 404 404 A G T 3 S+ 0 0 21 -93,-2.9 -67,-2.4 1,-0.4 -68,-0.5 0.189 95.3 121.3 99.2 -15.1 28.3 -23.8 23.0 405 405 A D < - 0 0 5 -3,-2.5 -92,-1.5 -69,-0.2 2,-0.4 -0.311 51.5-144.7 -76.0 162.5 28.5 -20.4 24.7 406 406 A M E -oq 313 339C 0 -68,-2.3 -66,-3.1 -94,-0.2 2,-0.6 -0.997 1.6-156.6-125.5 135.3 28.6 -17.0 23.1 407 407 A V E -oq 314 340C 0 -94,-2.8 -92,-3.3 -2,-0.4 2,-0.5 -0.964 21.5-172.9-108.8 117.2 30.5 -14.0 24.3 408 408 A L E -oq 315 341C 0 -68,-2.7 -66,-2.7 -2,-0.6 2,-1.0 -0.939 22.9-162.7-123.7 115.3 28.9 -10.9 23.0 409 409 A L E +oq 316 342C 0 -94,-2.7 -92,-2.2 -2,-0.5 -89,-0.2 -0.832 38.7 139.3 -86.9 100.0 30.1 -7.3 23.3 410 410 A S + 0 0 0 -68,-1.4 -92,-0.1 -2,-1.0 -89,-0.1 -0.651 25.2 177.6-139.5 76.8 26.9 -5.4 22.5 411 411 A P - 0 0 0 0, 0.0 -67,-1.9 0, 0.0 -90,-0.2 0.593 27.3-143.3 -75.7 -16.0 27.3 -2.7 25.1 412 412 A A S S+ 0 0 1 -92,-1.8 2,-0.3 -90,-0.2 -91,-0.3 0.551 73.0 85.0 68.6 14.2 24.2 -0.4 24.4 413 413 A C S S- 0 0 0 -93,-0.7 -66,-0.2 -69,-0.3 -1,-0.2 -0.927 83.6-101.2-143.1 156.0 26.4 2.6 25.2 414 414 A A B -S 346 0D 18 -68,-2.6 -68,-2.2 -2,-0.3 3,-0.2 -0.332 27.7-138.9 -74.3 165.3 28.9 5.0 23.7 415 415 A S S >> S+ 0 0 5 -70,-0.2 4,-2.7 1,-0.1 3,-1.7 0.450 71.2 100.6-107.5 -5.3 32.6 4.3 24.4 416 416 A L T 34 + 0 0 119 1,-0.3 -1,-0.1 2,-0.2 -71,-0.0 0.627 68.3 72.0 -73.9 -11.0 34.2 7.7 25.1 417 417 A D T 34 S+ 0 0 54 -3,-0.2 -1,-0.3 1,-0.1 -2,-0.1 0.797 126.1 3.6 -63.9 -28.7 34.3 7.5 28.8 418 418 A Q T <4 S+ 0 0 63 -3,-1.7 2,-0.3 1,-0.1 -2,-0.2 0.519 123.7 58.9-133.0 -15.3 37.1 4.9 28.5 419 419 A F S < S- 0 0 20 -4,-2.7 -1,-0.1 1,-0.1 3,-0.1 -0.844 70.6-126.1-123.8 158.5 38.1 4.6 24.8 420 420 A K S S- 0 0 156 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.854 93.3 -28.8 -62.9 -39.4 39.3 6.7 21.9 421 421 A N S > S- 0 0 49 -6,-0.1 4,-1.5 -7,-0.0 3,-0.3 -0.949 71.8 -87.5-167.9 173.3 36.4 5.5 19.8 422 422 A F H > S+ 0 0 32 -2,-0.3 4,-2.4 1,-0.2 5,-0.1 0.774 123.0 61.7 -68.8 -22.6 34.1 2.4 19.4 423 423 A E H > S+ 0 0 59 2,-0.2 4,-3.0 1,-0.2 -1,-0.2 0.915 102.3 50.0 -65.9 -42.8 36.7 0.9 17.0 424 424 A Q H > S+ 0 0 64 -3,-0.3 4,-2.4 1,-0.2 -2,-0.2 0.903 110.0 50.8 -62.5 -41.8 39.2 0.9 19.8 425 425 A R H X S+ 0 0 0 -4,-1.5 4,-2.2 2,-0.2 -2,-0.2 0.923 113.5 45.7 -58.9 -47.5 36.7 -0.8 22.1 426 426 A G H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.899 113.2 49.1 -61.3 -43.7 36.0 -3.5 19.4 427 427 A N H X S+ 0 0 95 -4,-3.0 4,-2.3 2,-0.2 -2,-0.2 0.879 110.6 49.9 -65.9 -39.9 39.7 -4.0 18.7 428 428 A E H X S+ 0 0 53 -4,-2.4 4,-2.6 -5,-0.2 5,-0.2 0.925 110.5 50.6 -66.1 -42.8 40.6 -4.4 22.3 429 429 A F H X S+ 0 0 0 -4,-2.2 4,-2.7 -5,-0.2 -2,-0.2 0.923 110.6 49.9 -55.5 -47.0 37.7 -6.9 22.7 430 430 A A H X S+ 0 0 12 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.906 110.8 48.7 -61.9 -42.6 39.1 -8.9 19.7 431 431 A R H X S+ 0 0 133 -4,-2.3 4,-1.7 1,-0.2 -1,-0.2 0.935 114.7 45.3 -62.3 -46.9 42.6 -8.9 21.1 432 432 A L H X S+ 0 0 2 -4,-2.6 4,-2.8 1,-0.2 5,-0.3 0.848 109.8 54.6 -66.1 -37.6 41.3 -10.1 24.4 433 433 A A H X S+ 0 0 0 -4,-2.7 4,-2.2 2,-0.2 -1,-0.2 0.902 108.5 49.7 -60.4 -41.9 39.0 -12.8 22.8 434 434 A K H < S+ 0 0 124 -4,-2.1 -2,-0.2 2,-0.2 -1,-0.2 0.859 115.3 43.8 -66.7 -35.6 42.0 -14.2 21.0 435 435 A E H >< S+ 0 0 103 -4,-1.7 3,-0.6 -5,-0.2 -2,-0.2 0.937 123.3 34.1 -69.4 -50.5 44.1 -14.4 24.2 436 436 A L H 3< S+ 0 0 45 -4,-2.8 -2,-0.2 1,-0.2 -3,-0.2 0.648 112.1 59.8 -87.4 -18.2 41.3 -15.8 26.4 437 437 A G T 3< S+ 0 0 11 -4,-2.2 2,-0.3 -5,-0.3 -1,-0.2 0.236 98.3 66.1 -97.6 11.6 39.5 -18.0 23.9 438 438 A S < 0 0 50 -3,-0.6 -129,-0.0 -4,-0.1 -128,-0.0 -0.984 360.0 360.0-133.0 145.3 42.5 -20.2 23.1 439 439 A H 0 0 218 -2,-0.3 -2,-0.1 0, 0.0 -3,-0.0 -0.358 360.0 360.0 -69.2 360.0 44.5 -22.7 25.2