==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-OCT-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/SIGNALING PROTEIN 22-JUL-11 3T1Q . COMPND 2 MOLECULE: GLIDING PROTEIN MGLA; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR M.MIERTZSCHKE,I.R.VETTER,C.KOERNER,A.WITTINGHOFER . 443 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19966.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 329 74.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 23 5.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 69 15.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 5 1.1 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 . 1 0.2 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 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 156 35.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.6 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 0 0 0 1 1 0 0 1 0 1 0 0 0 1 2 0 2 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 1 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 PARALLEL BRIDGES PER LADDER . 2 0 1 2 2 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 9 A R 0 0 197 0, 0.0 2,-0.4 0, 0.0 317,-0.0 0.000 360.0 360.0 360.0 -75.5 14.5 46.0 -3.7 2 10 A E - 0 0 79 57,-0.1 2,-0.4 2,-0.0 57,-0.2 -0.951 360.0-166.8-138.6 121.6 15.8 42.4 -4.0 3 11 A I E -a 59 0A 88 55,-2.0 57,-2.4 -2,-0.4 2,-0.4 -0.845 25.4-144.6 -91.2 134.3 15.2 39.1 -5.9 4 12 A N E -a 60 0A 30 -2,-0.4 2,-0.4 55,-0.2 57,-0.2 -0.854 14.6-170.6-102.2 133.9 16.9 36.0 -4.4 5 13 A F E -a 61 0A 11 55,-3.1 57,-3.7 -2,-0.4 2,-0.5 -0.987 13.0-146.9-125.5 138.9 18.4 33.1 -6.4 6 14 A K E -a 62 0A 8 -2,-0.4 78,-2.6 76,-0.3 79,-1.4 -0.847 15.2-174.9 -97.7 118.3 19.7 29.7 -5.3 7 15 A I E -ab 63 85A 0 55,-2.9 57,-2.4 -2,-0.5 2,-0.4 -0.943 7.4-160.6-111.2 130.6 22.6 28.2 -7.4 8 16 A V E -ab 64 86A 0 77,-2.3 79,-2.9 -2,-0.5 2,-0.6 -0.906 10.9-146.6-113.0 140.6 23.8 24.6 -6.6 9 17 A Y E +ab 65 87A 0 55,-2.6 57,-1.3 -2,-0.4 2,-0.2 -0.923 28.5 178.1-101.8 121.3 27.1 23.0 -7.5 10 18 A Y E + b 0 88A 0 77,-2.6 79,-2.8 -2,-0.6 58,-0.1 -0.692 18.2 96.6-121.4 162.9 26.7 19.3 -8.1 11 19 A G - 0 0 1 -2,-0.2 79,-0.1 77,-0.2 4,-0.1 -0.561 64.2 -44.8 132.9 165.0 29.0 16.5 -9.1 12 20 A P S > S- 0 0 5 0, 0.0 3,-1.6 0, 0.0 5,-0.3 0.058 73.5 -69.1 -62.7 165.5 31.2 13.5 -7.9 13 21 A G T 3 S+ 0 0 4 55,-0.7 78,-0.1 1,-0.3 90,-0.0 -0.138 117.0 6.9 -51.8 142.6 33.6 13.5 -5.0 14 22 A L T 3 S+ 0 0 102 1,-0.1 -1,-0.3 -3,-0.1 31,-0.0 0.643 84.6 127.8 62.4 16.6 36.8 15.6 -5.6 15 23 A S S < S- 0 0 0 -3,-1.6 -1,-0.1 -4,-0.1 -2,-0.1 0.679 86.5 -96.8 -81.2 -11.9 35.6 17.1 -8.9 16 24 A G S > S+ 0 0 12 -4,-0.2 4,-1.8 -5,-0.1 -3,-0.1 0.603 76.7 140.3 110.9 20.1 36.3 20.7 -7.6 17 25 A K H > S+ 0 0 12 -5,-0.3 4,-1.0 1,-0.2 3,-0.4 0.958 79.6 41.5 -58.4 -53.6 32.9 21.9 -6.4 18 26 A T H > S+ 0 0 32 1,-0.2 4,-2.0 2,-0.2 3,-0.3 0.846 108.3 62.4 -60.3 -37.0 34.3 23.6 -3.3 19 27 A T H > S+ 0 0 50 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.890 97.2 57.9 -61.8 -36.6 37.3 25.0 -5.3 20 28 A N H X S+ 0 0 0 -4,-1.8 4,-2.1 -3,-0.4 -1,-0.2 0.911 108.3 45.8 -58.1 -42.2 35.0 27.0 -7.5 21 29 A L H X S+ 0 0 0 -4,-1.0 4,-2.7 -3,-0.3 -1,-0.2 0.927 109.2 55.0 -70.7 -35.5 33.6 28.8 -4.5 22 30 A K H X S+ 0 0 114 -4,-2.0 4,-1.4 1,-0.2 -2,-0.2 0.896 111.1 45.1 -63.6 -40.4 37.0 29.4 -3.0 23 31 A W H >X S+ 0 0 64 -4,-2.3 4,-0.8 2,-0.2 3,-0.7 0.976 112.2 49.8 -63.0 -56.5 38.1 31.1 -6.2 24 32 A I H >X S+ 0 0 0 -4,-2.1 4,-1.5 1,-0.3 3,-1.0 0.872 111.0 51.2 -52.4 -43.5 35.0 33.2 -6.7 25 33 A Y H 3< S+ 0 0 71 -4,-2.7 -1,-0.3 1,-0.2 -2,-0.2 0.830 105.0 55.9 -62.9 -35.7 35.3 34.4 -3.1 26 34 A S H << S+ 0 0 69 -4,-1.4 -1,-0.2 -3,-0.7 -2,-0.2 0.651 115.4 36.6 -77.9 -9.7 38.9 35.4 -3.5 27 35 A K H << S+ 0 0 124 -3,-1.0 -1,-0.2 -4,-0.8 -2,-0.2 0.515 90.0 93.3-118.0 -20.1 38.2 37.8 -6.5 28 36 A V S < S- 0 0 20 -4,-1.5 2,-0.1 -5,-0.2 5,-0.1 -0.691 82.2-115.8 -76.0 128.7 34.8 39.4 -5.7 29 37 A P > - 0 0 77 0, 0.0 3,-2.4 0, 0.0 4,-0.2 -0.397 29.0 -98.1 -61.5 141.2 35.4 42.6 -3.9 30 38 A E T 3 S+ 0 0 160 1,-0.2 4,-0.1 2,-0.2 0, 0.0 -0.467 115.8 51.0 -46.8 122.3 34.2 43.1 -0.3 31 39 A G T 3 S+ 0 0 64 2,-0.7 -1,-0.2 -2,-0.2 3,-0.1 -0.031 106.7 55.3 129.2 -20.9 30.9 45.0 -0.8 32 40 A R S < S+ 0 0 111 -3,-2.4 23,-2.8 1,-0.1 2,-0.3 0.217 107.9 52.1-119.7 7.1 29.6 42.5 -3.3 33 41 A K B -C 54 0A 36 -4,-0.2 -2,-0.7 21,-0.2 21,-0.2 -0.994 59.6-148.8-144.4 146.6 30.0 39.4 -1.1 34 42 A G - 0 0 29 19,-1.9 -2,-0.1 -2,-0.3 2,-0.0 -0.509 51.4 -66.7 -90.8 179.1 29.3 38.0 2.3 35 43 A E - 0 0 95 -2,-0.2 2,-0.3 1,-0.1 -1,-0.1 -0.302 50.0-116.4 -67.5 143.9 31.4 35.5 4.2 36 44 A M - 0 0 41 16,-0.2 2,-0.5 -3,-0.1 16,-0.2 -0.648 25.0-155.4 -86.7 139.5 31.9 31.9 3.0 37 45 A V E -D 51 0A 14 14,-3.2 14,-2.4 -2,-0.3 2,-0.4 -0.948 11.7-178.5-118.6 129.9 30.6 29.0 5.1 38 46 A S E -D 50 0A 53 -2,-0.5 2,-0.8 12,-0.2 12,-0.2 -0.967 16.9-170.9-129.6 122.9 31.9 25.4 4.9 39 47 A L E + 0 0 14 10,-2.2 8,-2.4 -2,-0.4 9,-2.0 -0.864 37.4 152.2-105.0 96.9 30.8 22.3 6.8 40 48 A A E -D 46 0A 44 -2,-0.8 6,-0.3 6,-0.3 -2,-0.1 -0.865 43.4-109.9-126.7 152.4 33.6 19.9 5.9 41 49 A T > - 0 0 10 4,-3.1 3,-2.0 -2,-0.3 -1,-0.1 -0.197 50.0 -83.5 -70.9 174.7 35.1 16.9 7.5 42 50 A E T 3 S+ 0 0 127 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.755 130.8 53.2 -47.7 -30.8 38.6 16.8 9.0 43 51 A D T 3 S- 0 0 104 2,-0.1 -1,-0.3 1,-0.0 3,-0.1 0.134 119.0-108.2 -96.4 19.2 40.0 16.1 5.4 44 52 A E S < S+ 0 0 162 -3,-2.0 2,-0.5 1,-0.3 -2,-0.1 0.700 73.8 141.8 53.5 24.3 38.3 19.1 3.9 45 53 A R - 0 0 60 1,-0.0 -4,-3.1 22,-0.0 -1,-0.3 -0.786 64.0-105.4 -82.5 132.0 35.8 16.9 2.1 46 54 A T E -D 40 0A 14 -2,-0.5 23,-0.3 -6,-0.3 -6,-0.3 -0.451 39.7-179.1 -64.1 129.2 32.5 18.7 2.3 47 55 A L E S- 0 0 8 -8,-2.4 -7,-0.2 -2,-0.2 -1,-0.2 0.855 78.2 -2.3 -96.7 -49.5 30.1 17.0 4.8 48 56 A F E S- 0 0 0 -9,-2.0 2,-0.3 1,-0.3 31,-0.2 0.759 115.5 -64.6-107.2 -59.8 27.0 19.1 4.6 49 57 A F E - 0 0 0 -10,-0.4 -10,-2.2 17,-0.2 2,-0.3 -0.966 30.6-113.4-176.6 165.1 27.6 22.1 2.1 50 58 A D E -DE 38 65A 1 15,-1.0 15,-1.4 -2,-0.3 2,-0.3 -0.852 29.9-165.3-104.0 154.1 29.5 25.2 1.2 51 59 A F E +DE 37 64A 0 -14,-2.4 -14,-3.2 -2,-0.3 13,-0.2 -0.988 14.1 169.5-141.7 131.4 27.6 28.6 1.1 52 60 A L E - E 0 63A 2 11,-2.4 11,-2.1 -2,-0.3 2,-0.3 -0.921 18.0-154.6-138.5 112.2 28.7 31.9 -0.5 53 61 A P E + E 0 62A 3 0, 0.0 -19,-1.9 0, 0.0 2,-0.3 -0.720 21.9 174.5 -94.3 143.2 26.3 34.8 -0.9 54 62 A L E -CE 33 61A 6 7,-2.7 7,-2.6 -2,-0.3 2,-0.3 -0.966 27.9-118.8-148.1 156.1 26.9 37.4 -3.6 55 63 A D E E 0 60A 37 -23,-2.8 5,-0.2 -2,-0.3 -23,-0.1 -0.747 360.0 360.0 -87.2 137.2 25.7 40.6 -5.5 56 64 A I 0 0 116 3,-2.0 3,-0.6 -2,-0.3 4,-0.1 -0.507 360.0 360.0-170.6 360.0 25.0 40.9 -9.3 57 ! 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 58 71 A K 0 0 148 0, 0.0 -55,-2.0 0, 0.0 2,-0.7 0.000 360.0 360.0 360.0 107.7 18.9 44.2 -6.9 59 72 A T E -a 3 0A 33 -3,-0.6 -3,-2.0 -57,-0.2 2,-0.5 -0.873 360.0-166.4-102.9 109.3 19.7 40.5 -7.7 60 73 A R E -aE 4 55A 29 -57,-2.4 -55,-3.1 -2,-0.7 2,-0.5 -0.848 4.9-157.0 -95.0 119.8 21.2 38.3 -4.9 61 74 A F E -aE 5 54A 2 -7,-2.6 -7,-2.7 -2,-0.5 2,-0.8 -0.847 3.1-160.6 -98.2 122.4 22.8 34.9 -5.7 62 75 A H E -aE 6 53A 3 -57,-3.7 -55,-2.9 -2,-0.5 2,-0.4 -0.885 14.2-162.8 -96.7 106.3 23.2 32.2 -3.0 63 76 A L E +aE 7 52A 0 -11,-2.1 -11,-2.4 -2,-0.8 2,-0.3 -0.791 10.8 178.8 -93.1 134.3 25.8 29.7 -4.2 64 77 A Y E -aE 8 51A 9 -57,-2.4 -55,-2.6 -2,-0.4 2,-0.3 -0.939 18.3-152.4-128.4 154.3 26.0 26.2 -2.6 65 78 A T E -aE 9 50A 0 -15,-1.4 -15,-1.0 -2,-0.3 -55,-0.2 -0.863 15.6-145.3-118.0 153.1 28.1 23.2 -3.0 66 79 A V - 0 0 0 -57,-1.3 2,-0.4 -2,-0.3 -17,-0.2 -0.816 29.2 -99.1-115.9 151.1 26.9 19.7 -2.1 67 80 A P - 0 0 0 0, 0.0 9,-0.2 0, 0.0 -56,-0.1 -0.642 32.7-159.6 -76.9 128.2 29.0 16.9 -0.7 68 81 A G + 0 0 14 -2,-0.4 -55,-0.7 -56,-0.2 -21,-0.1 0.712 52.0 111.4 -82.2 -21.3 29.9 14.6 -3.6 69 82 A Q S > S- 0 0 44 -23,-0.3 3,-2.0 -57,-0.2 -55,-0.0 -0.280 74.1-123.9 -61.8 140.6 30.8 11.3 -1.8 70 83 A V G > S+ 0 0 106 1,-0.3 3,-1.1 2,-0.1 -1,-0.1 0.854 105.9 57.3 -62.3 -37.5 28.2 8.7 -2.6 71 84 A F G 3 S+ 0 0 124 1,-0.3 -1,-0.3 2,-0.1 3,-0.2 0.349 92.7 70.3 -78.8 5.6 27.2 7.9 1.0 72 85 A Y G X> + 0 0 7 -3,-2.0 4,-1.8 1,-0.2 3,-1.4 0.158 60.3 122.7-101.3 19.7 26.3 11.6 1.7 73 86 A N H <> + 0 0 42 -3,-1.1 4,-2.5 1,-0.3 5,-0.2 0.817 62.7 63.3 -49.2 -37.7 23.2 11.4 -0.5 74 87 A A H 3> S+ 0 0 14 -3,-0.2 4,-0.9 1,-0.2 -1,-0.3 0.834 108.8 40.1 -64.8 -31.1 20.8 12.4 2.3 75 88 A S H <> S+ 0 0 0 -3,-1.4 4,-2.0 2,-0.2 3,-0.3 0.906 110.4 58.6 -81.4 -41.9 22.4 15.8 2.7 76 89 A R H X S+ 0 0 11 -4,-1.8 4,-0.8 1,-0.2 -2,-0.2 0.845 102.8 56.0 -42.1 -49.7 22.8 16.3 -1.1 77 90 A K H >< S+ 0 0 60 -4,-2.5 3,-1.0 1,-0.2 4,-0.3 0.922 106.8 48.4 -52.2 -49.1 19.0 15.9 -1.4 78 91 A L H >< S+ 0 0 33 -4,-0.9 3,-1.7 -3,-0.3 -1,-0.2 0.867 103.2 60.2 -64.7 -44.4 18.3 18.7 1.0 79 92 A I H 3< S+ 0 0 10 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.686 97.3 60.8 -58.7 -21.9 20.7 21.1 -0.6 80 93 A L T X< S+ 0 0 2 -3,-1.0 3,-2.7 -4,-0.8 -1,-0.3 0.640 74.2 125.5 -80.8 -12.1 18.8 21.0 -3.9 81 94 A R T < S- 0 0 66 -3,-1.7 -3,-0.0 -4,-0.3 30,-0.0 -0.273 87.1 -3.8 -53.0 121.6 15.6 22.3 -2.3 82 95 A G T 3 S+ 0 0 27 1,-0.2 -76,-0.3 -2,-0.1 -1,-0.3 0.484 89.2 170.0 74.9 5.4 14.4 25.3 -4.2 83 96 A V < - 0 0 11 -3,-2.7 -1,-0.2 1,-0.1 -76,-0.2 -0.123 18.8-174.1 -50.7 141.9 17.4 25.3 -6.5 84 97 A D + 0 0 44 -78,-2.6 2,-0.3 1,-0.4 -77,-0.2 0.636 68.6 11.9-108.7 -26.7 16.9 27.7 -9.5 85 98 A G E -b 7 0A 0 -79,-1.4 -77,-2.3 36,-0.1 2,-0.4 -0.992 66.9-146.3-152.4 148.6 20.1 26.9 -11.4 86 99 A I E -bf 8 123A 0 36,-2.4 38,-2.3 -2,-0.3 2,-0.6 -0.958 8.1-162.2-126.2 135.8 22.7 24.2 -11.4 87 100 A V E -bf 9 124A 0 -79,-2.9 -77,-2.6 -2,-0.4 2,-0.8 -0.946 14.7-160.1-105.3 114.7 26.4 24.0 -12.1 88 101 A F E -bf 10 125A 0 36,-2.3 38,-2.8 -2,-0.6 2,-0.9 -0.839 6.1-158.7 -93.7 109.0 27.4 20.3 -12.7 89 102 A V E - f 0 126A 0 -79,-2.8 2,-0.2 -2,-0.8 38,-0.2 -0.753 10.9-167.0 -93.7 104.2 31.2 20.1 -12.2 90 103 A A E - f 0 127A 0 36,-2.8 38,-2.3 -2,-0.9 2,-0.2 -0.599 18.0-120.6 -90.7 148.9 32.5 17.0 -14.0 91 104 A D - 0 0 6 5,-0.3 38,-0.1 -2,-0.2 9,-0.1 -0.610 7.8-151.3 -88.1 149.9 36.0 15.6 -13.4 92 105 A S + 0 0 0 -2,-0.2 44,-2.8 36,-0.2 -1,-0.1 0.545 58.1 114.0 -97.4 -6.3 38.5 15.2 -16.3 93 106 A A > - 0 0 11 42,-0.2 3,-2.0 1,-0.1 4,-0.4 -0.406 68.2-132.7 -72.6 136.4 40.4 12.3 -15.0 94 107 A P G > S+ 0 0 53 0, 0.0 3,-1.9 0, 0.0 4,-0.3 0.944 107.5 52.3 -46.3 -55.2 40.2 9.0 -16.9 95 108 A N G 3 S+ 0 0 136 1,-0.3 4,-0.2 2,-0.1 -2,-0.1 0.426 107.3 54.2 -65.9 -1.4 39.6 7.0 -13.7 96 109 A R G <> S+ 0 0 71 -3,-2.0 4,-1.8 2,-0.1 -1,-0.3 0.326 74.8 100.2-113.4 6.7 36.7 9.3 -12.7 97 110 A L H <> S+ 0 0 36 -3,-1.9 4,-1.4 -4,-0.4 3,-0.1 0.919 86.3 44.8 -60.7 -46.0 34.5 9.1 -15.8 98 111 A R H > S+ 0 0 188 -4,-0.3 4,-2.7 1,-0.2 5,-0.3 0.909 106.4 60.3 -63.7 -44.5 32.1 6.6 -14.3 99 112 A A H > S+ 0 0 14 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.891 104.3 53.9 -46.8 -38.8 31.9 8.7 -11.1 100 113 A N H X S+ 0 0 0 -4,-1.8 4,-1.7 1,-0.2 -1,-0.2 0.908 108.3 46.3 -60.6 -49.2 30.7 11.5 -13.3 101 114 A A H X S+ 0 0 22 -4,-1.4 4,-2.8 2,-0.2 5,-0.2 0.876 110.6 52.4 -66.7 -40.2 27.9 9.5 -14.8 102 115 A E H X S+ 0 0 64 -4,-2.7 4,-2.8 1,-0.2 -1,-0.2 0.929 109.2 50.5 -62.8 -43.9 26.7 8.1 -11.4 103 116 A S H X S+ 0 0 12 -4,-2.2 4,-2.0 -5,-0.3 -1,-0.2 0.866 110.8 49.0 -59.9 -39.2 26.6 11.6 -10.0 104 117 A M H X S+ 0 0 6 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.956 112.0 47.0 -67.9 -44.4 24.5 12.7 -13.0 105 118 A R H X S+ 0 0 119 -4,-2.8 4,-2.7 1,-0.3 -2,-0.2 0.901 112.1 53.4 -61.5 -36.7 22.1 9.7 -12.6 106 119 A N H X S+ 0 0 19 -4,-2.8 4,-2.6 -5,-0.2 -1,-0.3 0.872 105.7 52.5 -64.0 -38.2 22.0 10.7 -9.0 107 120 A M H X S+ 0 0 0 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.892 110.0 46.8 -70.6 -41.4 21.1 14.3 -9.8 108 121 A R H X S+ 0 0 128 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.937 112.0 52.0 -59.1 -48.2 18.1 13.2 -12.0 109 122 A E H X S+ 0 0 111 -4,-2.7 4,-0.8 1,-0.2 3,-0.3 0.951 112.4 45.4 -54.7 -51.3 17.0 10.7 -9.2 110 123 A N H X S+ 0 0 2 -4,-2.6 4,-0.6 1,-0.2 3,-0.5 0.840 112.3 49.7 -61.1 -40.0 17.1 13.5 -6.5 111 124 A L H ><>S+ 0 0 1 -4,-2.0 5,-2.6 1,-0.2 3,-0.6 0.818 103.5 61.4 -67.0 -31.7 15.3 16.2 -8.7 112 125 A A H ><5S+ 0 0 65 -4,-1.8 3,-0.6 -3,-0.3 -1,-0.2 0.732 95.5 60.7 -69.5 -25.8 12.6 13.6 -9.5 113 126 A E H 3<5S+ 0 0 135 -4,-0.8 -1,-0.3 -3,-0.5 -2,-0.2 0.758 106.2 47.4 -71.4 -25.3 11.8 13.4 -5.7 114 127 A Y T <<5S- 0 0 91 -3,-0.6 -1,-0.2 -4,-0.6 -2,-0.2 0.480 124.4-108.2 -87.6 0.2 11.0 17.1 -6.0 115 128 A G T < 5S+ 0 0 65 -3,-0.6 2,-0.4 1,-0.3 -3,-0.2 0.796 79.0 129.8 76.1 28.4 8.8 16.4 -9.2 116 129 A L < - 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