==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 09-AUG-05 2BZ1 . COMPND 2 MOLECULE: GTP CYCLOHYDROLASE II; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR J.REN,M.KOTAKA,M.LOCKYER,H.K.LAMB,A.R.HAWKINS,D.K.STAMMERS . 173 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9218.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 131 75.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 9.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 26 15.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.6 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 . 21 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 47 27.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 4.0 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 1 0 2 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 0 0 0 0 1 0 1 0 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 . 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 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 X 0 0 114 0, 0.0 131,-0.1 0, 0.0 25,-0.0 0.000 360.0 360.0 360.0 106.3 38.4 34.1 -3.9 2 2 A Q + 0 0 76 129,-0.2 24,-2.7 24,-0.1 25,-0.4 0.552 360.0 59.6 -94.1 -9.8 37.3 32.1 -0.8 3 3 A L E -A 25 0A 3 22,-0.2 2,-0.3 23,-0.1 22,-0.2 -0.737 56.3-157.0-121.9 166.2 34.1 30.8 -2.4 4 4 A K E -A 24 0A 94 20,-1.4 20,-2.5 -2,-0.3 2,-0.6 -0.976 27.4-123.4-135.0 146.5 32.7 28.8 -5.2 5 5 A R E +A 23 0A 102 -2,-0.3 18,-0.2 18,-0.2 3,-0.1 -0.835 38.1 166.8 -90.5 121.1 29.1 29.1 -6.5 6 6 A V E - 0 0 76 16,-2.4 2,-0.3 -2,-0.6 17,-0.2 0.712 48.2 -3.8-114.5 -22.4 27.5 25.6 -6.3 7 7 A A E -A 22 0A 61 15,-1.2 15,-3.2 2,-0.0 2,-0.3 -0.991 46.5-163.1-166.0 160.5 23.8 25.6 -6.8 8 8 A E E +A 21 0A 103 -2,-0.3 2,-0.3 13,-0.2 13,-0.2 -0.991 14.1 160.8-150.5 151.3 20.7 27.7 -7.3 9 9 A A E -A 20 0A 54 11,-1.9 11,-3.1 -2,-0.3 2,-0.2 -0.971 44.2 -74.0-161.4 168.0 16.9 27.2 -7.0 10 10 A K E -A 19 0A 135 -2,-0.3 9,-0.2 9,-0.2 7,-0.0 -0.478 32.0-167.8 -75.6 137.5 13.8 29.1 -6.6 11 11 A L E -A 18 0A 49 7,-2.8 7,-2.6 -2,-0.2 2,-0.3 -0.891 10.1-160.6-123.8 97.9 12.9 30.8 -3.4 12 12 A P E +A 17 0A 87 0, 0.0 5,-0.2 0, 0.0 7,-0.0 -0.648 18.5 170.5 -79.9 135.6 9.2 32.0 -3.4 13 13 A T E > -A 16 0A 32 3,-1.6 3,-1.8 -2,-0.3 -2,-0.0 -0.824 52.3 -92.2-134.8 173.4 8.4 34.7 -0.8 14 14 A P T 3 S+ 0 0 120 0, 0.0 3,-0.1 0, 0.0 62,-0.0 0.686 126.8 51.0 -62.6 -15.2 5.5 37.0 -0.1 15 15 A W T 3 S- 0 0 78 1,-0.4 2,-0.2 0, 0.0 0, 0.0 0.364 124.7 -83.4-104.0 4.3 7.2 39.6 -2.3 16 16 A G E < -A 13 0A 26 -3,-1.8 -3,-1.6 2,-0.0 -1,-0.4 -0.692 65.8 -37.0 122.6-177.5 7.8 37.3 -5.3 17 17 A D E -A 12 0A 85 -5,-0.2 21,-0.5 -2,-0.2 2,-0.3 -0.693 48.1-169.4 -88.4 131.3 10.3 34.8 -6.5 18 18 A F E -AB 11 37A 3 -7,-2.6 -7,-2.8 -2,-0.4 2,-0.7 -0.822 26.4-123.0-109.3 152.9 14.0 35.3 -5.7 19 19 A L E -AB 10 36A 60 17,-3.1 17,-3.0 -2,-0.3 2,-0.6 -0.905 28.4-148.0 -94.5 119.2 16.7 33.1 -7.3 20 20 A X E -AB 9 35A 67 -11,-3.1 -11,-1.9 -2,-0.7 2,-0.5 -0.827 13.8-167.8 -93.3 121.1 18.6 31.5 -4.3 21 21 A V E -AB 8 34A 0 13,-3.1 13,-2.4 -2,-0.6 2,-0.4 -0.930 7.8-148.9-112.4 127.1 22.2 31.0 -5.0 22 22 A G E -AB 7 33A 20 -15,-3.2 -16,-2.4 -2,-0.5 -15,-1.2 -0.805 11.3-167.3 -99.2 136.6 24.3 28.8 -2.7 23 23 A F E -AB 5 32A 3 9,-2.8 9,-1.7 -2,-0.4 2,-0.4 -0.902 5.7-152.3-120.0 148.7 28.0 29.5 -2.1 24 24 A E E -AB 4 31A 69 -20,-2.5 -20,-1.4 -2,-0.3 2,-0.5 -0.970 19.7-123.3-125.1 133.7 30.6 27.2 -0.4 25 25 A E E > -A 3 0A 24 5,-2.8 4,-2.6 -2,-0.4 3,-0.5 -0.635 21.1-143.0 -73.5 124.3 33.8 28.2 1.4 26 26 A L T 4 S+ 0 0 101 -24,-2.7 -1,-0.2 -2,-0.5 -23,-0.1 0.844 95.8 43.9 -56.6 -36.4 36.6 26.4 -0.4 27 27 A A T 4 S+ 0 0 103 -25,-0.4 -1,-0.2 1,-0.1 -24,-0.1 0.681 129.7 17.2 -86.6 -18.8 38.5 25.8 2.9 28 28 A T T 4 S- 0 0 92 -3,-0.5 -2,-0.2 2,-0.2 -1,-0.1 0.614 86.5-123.1-127.8 -21.9 35.7 24.7 5.2 29 29 A G < + 0 0 38 -4,-2.6 -3,-0.1 1,-0.3 2,-0.1 0.423 61.0 147.9 86.4 -2.8 32.6 23.7 3.3 30 30 A H - 0 0 63 -5,-0.1 -5,-2.8 -6,-0.1 -1,-0.3 -0.362 39.7-127.9 -65.7 146.0 30.6 26.4 5.3 31 31 A D E +B 24 0A 62 -7,-0.2 2,-0.3 -3,-0.1 -7,-0.2 -0.627 26.5 179.1-106.5 158.1 27.8 28.0 3.3 32 32 A H E -B 23 0A 0 -9,-1.7 -9,-2.8 -2,-0.2 2,-0.4 -0.940 17.2-146.5-142.7 158.1 26.5 31.5 2.4 33 33 A V E -BC 22 88A 29 55,-1.8 55,-3.5 -2,-0.3 2,-0.4 -0.970 8.3-160.9-134.9 146.0 23.5 32.4 0.3 34 34 A A E -BC 21 87A 0 -13,-2.4 -13,-3.1 -2,-0.4 2,-0.6 -0.984 9.6-154.0-122.2 137.3 22.6 35.2 -2.1 35 35 A L E -BC 20 86A 18 51,-2.9 51,-2.5 -2,-0.4 2,-0.5 -0.963 14.9-164.5-111.9 116.2 18.9 36.0 -2.9 36 36 A V E -BC 19 85A 11 -17,-3.0 -17,-3.1 -2,-0.6 2,-0.4 -0.904 2.1-161.8-108.2 121.0 18.7 37.6 -6.4 37 37 A Y E -BC 18 84A 44 47,-3.2 47,-2.1 -2,-0.5 -19,-0.1 -0.857 53.3 -28.1-104.0 132.3 15.5 39.3 -7.5 38 38 A G S S- 0 0 51 -21,-0.5 2,-0.8 -2,-0.4 45,-0.2 -0.192 106.6 -27.4 68.3-156.5 14.8 40.0 -11.1 39 39 A D + 0 0 108 43,-0.4 -1,-0.1 1,-0.1 -2,-0.0 -0.857 51.5 177.6-101.1 107.8 17.3 40.5 -13.9 40 40 A I + 0 0 28 -2,-0.8 -1,-0.1 44,-0.1 -2,-0.1 0.301 45.0 113.5 -92.6 11.2 20.6 41.9 -12.5 41 41 A S + 0 0 81 101,-0.1 3,-0.1 2,-0.0 2,-0.1 -0.245 47.0 62.9 -73.8 169.0 22.4 41.8 -15.8 42 42 A G S S- 0 0 57 1,-0.1 4,-0.1 4,-0.0 -2,-0.0 -0.385 92.4 -80.3 105.6 174.5 23.4 45.1 -17.5 43 43 A H S S+ 0 0 181 -2,-0.1 101,-0.2 2,-0.1 -1,-0.1 0.682 88.9 111.0 -90.1 -20.9 25.8 47.9 -16.6 44 44 A T S S- 0 0 95 -3,-0.1 100,-0.1 1,-0.1 0, 0.0 -0.223 82.7 -98.7 -56.1 140.2 23.4 49.7 -14.3 45 45 A P - 0 0 29 0, 0.0 2,-0.4 0, 0.0 100,-0.3 -0.305 41.0-123.8 -58.3 147.4 24.5 49.5 -10.6 46 46 A V E -d 145 0A 6 98,-2.5 100,-2.7 -3,-0.1 2,-0.3 -0.835 12.8-125.1-102.4 132.1 22.7 46.8 -8.7 47 47 A L E +d 146 0A 1 -2,-0.4 38,-2.1 36,-0.4 2,-0.3 -0.538 43.5 170.6 -70.8 131.9 20.7 47.5 -5.5 48 48 A A E -de 147 85A 0 98,-2.5 100,-3.1 -2,-0.3 2,-0.4 -0.999 29.7-156.1-151.6 149.6 22.0 45.2 -2.7 49 49 A R E - e 0 86A 25 36,-2.5 38,-3.1 -2,-0.3 2,-0.7 -0.979 10.8-151.5-122.8 134.2 21.9 44.5 1.0 50 50 A V E - e 0 87A 7 98,-0.4 2,-0.6 -2,-0.4 38,-0.2 -0.930 20.7-176.8-105.7 112.3 24.5 42.7 3.0 51 51 A H E - e 0 88A 5 36,-2.9 38,-2.4 -2,-0.7 2,-0.4 -0.939 15.7-149.2-114.8 114.5 22.8 40.9 5.9 52 52 A S E - e 0 89A 18 -2,-0.6 38,-0.2 36,-0.2 41,-0.1 -0.692 35.1-101.2 -83.2 133.1 25.0 39.1 8.5 53 53 A E + 0 0 22 36,-2.8 40,-0.6 -2,-0.4 41,-0.3 -0.164 39.2 177.3 -56.0 141.0 23.1 36.1 10.0 54 54 A C > - 0 0 4 38,-0.2 4,-3.5 1,-0.1 5,-0.5 -0.827 11.1-167.1-145.1 98.7 21.5 36.4 13.4 55 55 A L H >>S+ 0 0 71 -2,-0.3 4,-2.3 1,-0.2 5,-1.7 0.925 88.1 48.3 -55.5 -46.5 19.7 33.3 14.4 56 56 A T H 45S+ 0 0 27 3,-0.2 6,-2.4 1,-0.2 4,-0.3 0.927 121.9 32.6 -63.6 -45.9 18.0 34.9 17.3 57 57 A G H 45S+ 0 0 8 4,-0.2 4,-0.3 1,-0.1 -2,-0.2 0.889 123.4 44.8 -78.1 -39.2 16.8 38.0 15.4 58 58 A D H <5S+ 0 0 32 -4,-3.5 -3,-0.2 2,-0.1 -2,-0.2 0.809 135.4 6.4 -75.6 -32.9 16.2 36.4 12.0 59 59 A A T <5S+ 0 0 52 -4,-2.3 -3,-0.2 -5,-0.5 -2,-0.1 0.709 123.3 55.0-121.2 -32.6 14.4 33.3 13.2 60 60 A L S S+ 0 0 105 -2,-0.3 4,-2.8 1,-0.1 5,-0.2 0.243 73.1 110.4-106.6 13.6 16.8 44.6 14.9 67 67 A C H > S+ 0 0 30 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.902 81.3 43.9 -57.5 -45.6 18.3 42.0 12.6 68 68 A G H > S+ 0 0 19 -6,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.903 113.8 52.0 -65.3 -39.6 15.0 40.3 11.8 69 69 A F H > S+ 0 0 113 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.922 112.3 46.3 -59.9 -45.0 13.3 43.6 11.3 70 70 A Q H X S+ 0 0 60 -4,-2.8 4,-2.4 2,-0.2 -1,-0.2 0.814 108.3 56.0 -68.4 -34.6 16.1 44.6 8.9 71 71 A L H X S+ 0 0 30 -4,-2.1 4,-2.2 -5,-0.2 5,-0.2 0.947 111.3 42.7 -64.1 -48.9 16.0 41.4 7.0 72 72 A E H X S+ 0 0 115 -4,-2.2 4,-2.4 1,-0.2 5,-0.2 0.937 113.9 52.6 -64.0 -43.6 12.3 41.8 6.2 73 73 A A H X S+ 0 0 14 -4,-2.2 4,-2.3 -5,-0.2 -2,-0.2 0.905 110.9 46.6 -59.0 -43.6 12.7 45.5 5.4 74 74 A A H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 5,-0.2 0.914 111.9 48.7 -67.3 -44.9 15.6 44.8 2.9 75 75 A L H X S+ 0 0 20 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.912 113.1 49.5 -60.3 -42.4 13.8 41.9 1.1 76 76 A T H X S+ 0 0 53 -4,-2.4 4,-2.1 -5,-0.2 -2,-0.2 0.933 112.1 47.4 -62.0 -46.5 10.7 44.1 0.8 77 77 A Q H X S+ 0 0 22 -4,-2.3 4,-2.0 -5,-0.2 -2,-0.2 0.867 111.3 50.1 -65.1 -39.2 12.7 47.0 -0.6 78 78 A I H X>S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 5,-0.6 0.935 111.2 48.4 -65.9 -45.2 14.6 44.9 -3.1 79 79 A A H <5S+ 0 0 14 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.897 110.3 52.5 -62.2 -38.7 11.4 43.3 -4.4 80 80 A E H <5S+ 0 0 165 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.889 107.1 52.2 -63.3 -40.5 9.8 46.8 -4.7 81 81 A E H <5S- 0 0 98 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.924 105.1-136.8 -60.5 -44.5 12.7 48.0 -6.7 82 82 A G T <5S+ 0 0 37 -4,-2.2 -43,-0.4 -5,-0.1 2,-0.3 0.270 78.7 52.7 104.6 -7.6 12.3 45.0 -9.0 83 83 A R S > - 0 0 14 -2,-1.9 4,-1.3 -38,-0.1 3,-0.6 -0.691 55.3-150.8-133.2 75.2 29.1 34.8 10.3 92 92 A E H 3>>S+ 0 0 16 -2,-0.2 5,-2.2 1,-0.2 4,-0.8 -0.115 71.3 10.5 -49.3 138.6 26.8 34.7 13.4 93 93 A G H >45S- 0 0 8 -40,-0.6 3,-1.0 1,-0.2 -1,-0.2 0.884 137.1 -52.7 57.9 46.8 27.5 37.2 16.2 94 94 A R H <45S- 0 0 104 -3,-0.6 33,-2.1 -41,-0.3 -1,-0.2 0.862 109.3 -55.2 55.3 36.1 29.9 39.3 14.3 95 95 A N H 3<5S+ 0 0 64 -4,-1.3 -1,-0.2 -3,-0.3 -2,-0.2 0.642 118.0 106.0 74.0 21.6 31.8 36.1 13.6 96 96 A I T <<5S- 0 0 13 -3,-1.0 4,-0.4 -4,-0.8 -3,-0.2 0.518 84.6-115.6-101.5 -8.0 32.3 34.8 17.2 97 97 A G >< - 0 0 27 -5,-2.2 4,-1.8 3,-0.1 -1,-0.2 0.022 23.9 -79.8 94.2 157.7 29.7 32.2 16.8 98 98 A L H > S+ 0 0 57 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.902 124.3 51.9 -62.3 -45.0 26.3 31.5 18.3 99 99 A L H > S+ 0 0 125 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.918 113.2 44.2 -62.0 -43.2 27.6 29.9 21.5 100 100 A N H > S+ 0 0 38 -4,-0.4 4,-2.7 1,-0.2 -1,-0.2 0.844 109.4 58.6 -68.9 -30.8 29.9 32.8 22.3 101 101 A K H X S+ 0 0 20 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.896 105.6 48.8 -63.3 -38.5 27.0 35.1 21.3 102 102 A I H X S+ 0 0 95 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.908 110.7 50.3 -67.6 -39.3 25.0 33.5 24.1 103 103 A R H X S+ 0 0 135 -4,-1.8 4,-1.6 2,-0.2 -2,-0.2 0.916 111.7 48.5 -62.6 -42.3 27.9 34.0 26.5 104 104 A A H X S+ 0 0 3 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.916 109.3 52.7 -63.8 -42.5 28.1 37.6 25.5 105 105 A Y H X S+ 0 0 37 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.859 105.1 55.5 -60.7 -36.6 24.3 38.0 25.9 106 106 A A H X S+ 0 0 48 -4,-2.0 4,-0.5 2,-0.2 -1,-0.2 0.882 109.5 45.9 -64.3 -39.0 24.6 36.6 29.5 107 107 A L H ><>S+ 0 0 18 -4,-1.6 5,-2.1 1,-0.2 3,-0.7 0.863 111.3 52.5 -70.8 -35.9 27.2 39.3 30.3 108 108 A Q H ><5S+ 0 0 50 -4,-2.3 3,-1.3 1,-0.3 -2,-0.2 0.816 101.5 60.1 -68.4 -29.4 25.0 41.9 28.7 109 109 A D H 3<5S+ 0 0 112 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.752 104.9 51.8 -67.8 -21.8 22.1 40.6 30.9 110 110 A Q T <<5S- 0 0 147 -3,-0.7 -1,-0.3 -4,-0.5 -2,-0.2 0.387 134.9 -84.7 -94.6 1.2 24.4 41.6 33.8 111 111 A G T < 5S+ 0 0 67 -3,-1.3 -3,-0.2 1,-0.4 -2,-0.1 0.293 85.4 130.5 116.1 -11.3 25.0 45.2 32.5 112 112 A Y < - 0 0 89 -5,-2.1 -1,-0.4 -6,-0.1 2,-0.2 -0.379 50.9-131.0 -73.6 154.4 27.9 44.8 30.0 113 113 A D > - 0 0 72 -2,-0.1 4,-2.9 1,-0.1 5,-0.2 -0.589 32.1 -97.9 -98.7 167.8 27.7 46.3 26.6 114 114 A T H > S+ 0 0 41 1,-0.2 4,-2.2 -2,-0.2 5,-0.2 0.856 123.4 49.3 -54.6 -40.0 28.5 44.3 23.4 115 115 A V H > S+ 0 0 63 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.892 114.0 45.2 -68.6 -39.1 32.1 45.6 23.2 116 116 A E H > S+ 0 0 98 2,-0.2 4,-2.5 -3,-0.2 -2,-0.2 0.925 112.9 50.7 -69.3 -45.3 32.8 44.9 26.8 117 117 A A H X S+ 0 0 0 -4,-2.9 4,-1.8 1,-0.2 -2,-0.2 0.948 111.7 46.8 -57.7 -52.1 31.3 41.4 26.7 118 118 A N H <>S+ 0 0 3 -4,-2.2 5,-3.1 -5,-0.2 4,-0.4 0.917 111.6 51.7 -57.0 -46.0 33.2 40.4 23.6 119 119 A H H ><5S+ 0 0 109 -4,-1.9 3,-1.4 1,-0.2 -1,-0.2 0.918 108.3 50.2 -59.4 -44.8 36.5 41.7 25.0 120 120 A Q H 3<5S+ 0 0 112 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.842 110.0 51.5 -62.9 -32.1 36.0 39.7 28.2 121 121 A L T 3<5S- 0 0 48 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.486 125.8-103.8 -82.1 -4.6 35.4 36.6 26.1 122 122 A G T < 5S+ 0 0 63 -3,-1.4 2,-0.3 -4,-0.4 -3,-0.2 0.691 81.7 115.1 91.9 19.9 38.6 37.3 24.2 123 123 A F < - 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0 0 9 20,-2.2 -2,-0.0 -2,-0.8 23,-0.0 -0.915 58.8-145.7-174.5 150.8 22.1 50.9 4.5 150 150 A N S S+ 0 0 84 -2,-0.3 3,-0.1 20,-0.2 -2,-0.0 0.292 84.6 83.4-102.6 5.8 21.4 53.9 6.8 151 151 A N >> - 0 0 82 1,-0.1 3,-1.7 2,-0.0 4,-0.9 -0.891 57.9-166.4-118.2 104.5 25.0 53.8 8.0 152 152 A P H 3> S+ 0 0 75 0, 0.0 4,-1.5 0, 0.0 3,-0.3 0.793 90.4 65.2 -54.8 -29.9 27.7 55.6 5.9 153 153 A K H 3> S+ 0 0 97 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.826 95.4 57.3 -63.5 -31.6 30.3 53.8 7.9 154 154 A K H <> S+ 0 0 38 -3,-1.7 4,-2.6 1,-0.2 5,-0.2 0.856 101.9 55.3 -69.1 -32.5 29.1 50.5 6.5 155 155 A V H X S+ 0 0 28 -4,-0.9 4,-2.1 -3,-0.3 -1,-0.2 0.917 108.9 47.8 -64.9 -41.0 29.8 51.8 3.0 156 156 A E H X S+ 0 0 103 -4,-1.5 4,-2.3 2,-0.2 -2,-0.2 0.956 112.3 49.2 -63.0 -49.9 33.4 52.6 4.0 157 157 A I H X S+ 0 0 62 -4,-2.4 4,-1.1 1,-0.2 -2,-0.2 0.913 114.6 43.2 -56.0 -48.9 33.8 49.1 5.5 158 158 A L H <>S+ 0 0 0 -4,-2.6 5,-2.2 2,-0.2 -1,-0.2 0.849 111.1 54.6 -70.0 -32.8 32.4 47.2 2.5 159 159 A T H ><5S+ 0 0 59 -4,-2.1 3,-1.6 -5,-0.2 -1,-0.2 0.905 107.8 50.9 -65.6 -39.3 34.3 49.4 0.0 160 160 A E H 3<5S+ 0 0 155 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.797 103.5 60.2 -66.8 -27.3 37.5 48.5 1.9 161 161 A A T 3<5S- 0 0 18 -4,-1.1 -1,-0.3 -5,-0.2 -27,-0.2 0.387 130.0 -93.6 -81.3 3.9 36.5 44.8 1.6 162 162 A G T < 5S+ 0 0 58 -3,-1.6 2,-0.5 1,-0.3 -3,-0.2 0.553 79.8 137.3 99.2 8.7 36.5 45.1 -2.2 163 163 A I < - 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