==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 16-APR-12 4EP1 . COMPND 2 MOLECULE: ORNITHINE CARBAMOYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS ANTHRACIS; . AUTHOR I.G.SHABALIN,K.MIKOLAJCZAK,J.STAM,J.WINSOR,L.SHUVALOVA,W.F.A . 594 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24907.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 436 73.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 94 15.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 4 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 4 0.7 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 . 33 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 61 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 214 36.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.0 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 4 2 0 0 2 2 2 0 0 4 2 2 2 0 0 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 8 0 2 6 4 2 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 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 ANTIPARALLEL BRIDGES PER LADDER . 0 2 0 2 2 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 4 A V 0 0 80 0, 0.0 2,-1.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 135.1 19.3 -3.1 19.7 2 5 A Q - 0 0 168 26,-0.0 26,-0.0 2,-0.0 0, 0.0 -0.635 360.0-165.6 -97.2 77.6 21.2 -6.4 19.8 3 6 A V - 0 0 50 -2,-1.0 2,-0.2 1,-0.1 22,-0.1 -0.325 18.3-116.2 -75.4 138.9 20.3 -7.9 16.3 4 7 A P - 0 0 15 0, 0.0 2,-0.6 0, 0.0 293,-0.2 -0.556 16.6-136.0 -79.5 136.5 20.9 -11.5 15.5 5 8 A K - 0 0 86 -2,-0.2 2,-0.4 2,-0.0 290,-0.1 -0.807 21.8-165.5 -88.6 116.2 23.3 -12.6 12.7 6 9 A L - 0 0 3 -2,-0.6 2,-0.7 288,-0.4 11,-0.1 -0.891 18.8-143.3-102.3 137.6 21.8 -15.3 10.6 7 10 A N S S+ 0 0 145 -2,-0.4 2,-0.3 9,-0.1 -2,-0.0 -0.311 76.4 72.7 -94.9 50.6 24.0 -17.2 8.3 8 11 A T - 0 0 29 -2,-0.7 -2,-0.1 1,-0.1 290,-0.1 -0.976 62.6-150.5-161.5 145.1 21.4 -17.5 5.6 9 12 A K S S+ 0 0 67 -2,-0.3 2,-0.2 107,-0.1 109,-0.1 0.835 82.4 37.3 -85.2 -36.0 19.8 -15.3 3.1 10 13 A D - 0 0 25 107,-0.2 2,-0.3 6,-0.0 109,-0.2 -0.574 59.0-150.0-117.5 168.8 16.4 -17.1 3.0 11 14 A L B +a 119 0A 2 107,-2.2 109,-2.8 -2,-0.2 118,-0.1 -0.809 38.1 137.1-146.1 108.7 14.0 -18.9 5.2 12 15 A L S S+ 0 0 14 1,-0.5 2,-0.3 -2,-0.3 111,-0.2 0.828 74.7 10.0-122.8 -62.5 12.0 -21.5 3.5 13 16 A T S > S- 0 0 8 114,-0.1 3,-0.5 115,-0.1 -1,-0.5 -0.587 92.3-106.7-100.0-179.8 11.6 -24.7 5.6 14 17 A L G > S+ 0 0 0 -2,-0.3 3,-1.1 1,-0.2 148,-0.0 0.659 99.5 93.9 -82.6 -0.4 12.9 -24.0 9.0 15 18 A E G 3 + 0 0 55 1,-0.3 -1,-0.2 -4,-0.0 -4,-0.0 0.466 61.3 75.6 -81.9 -0.6 16.0 -26.0 8.4 16 19 A E G < S+ 0 0 56 -3,-0.5 2,-0.4 2,-0.1 -1,-0.3 0.231 84.1 86.1 -91.9 17.4 18.4 -23.4 7.3 17 20 A L S < S- 0 0 5 -3,-1.1 2,-0.1 -11,-0.1 -11,-0.0 -0.943 73.2-133.7-117.7 142.2 18.8 -22.2 10.9 18 21 A T > - 0 0 63 -2,-0.4 4,-1.9 1,-0.1 151,-0.1 -0.302 32.3-109.0 -74.5 169.7 21.1 -23.4 13.5 19 22 A Q H > S+ 0 0 90 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.924 121.2 50.3 -70.0 -43.5 19.5 -24.0 17.0 20 23 A E H > S+ 0 0 118 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.930 106.3 57.2 -57.0 -43.4 21.3 -21.0 18.5 21 24 A E H > S+ 0 0 15 1,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.944 105.6 50.9 -55.1 -48.4 20.0 -18.9 15.5 22 25 A I H X S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 -1,-0.2 0.855 111.2 46.1 -60.9 -38.3 16.4 -19.9 16.5 23 26 A I H X S+ 0 0 34 -4,-1.8 4,-3.7 2,-0.2 5,-0.4 0.993 109.4 53.7 -67.3 -56.4 16.7 -18.9 20.1 24 27 A S H X S+ 0 0 24 -4,-2.7 4,-2.1 1,-0.3 -2,-0.2 0.874 110.8 49.1 -42.1 -47.5 18.4 -15.6 19.3 25 28 A L H X S+ 0 0 2 -4,-2.7 4,-3.1 -5,-0.3 -1,-0.3 0.974 113.4 45.0 -56.3 -56.7 15.5 -15.0 17.0 26 29 A I H X S+ 0 0 3 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.927 112.7 50.2 -52.4 -49.5 13.0 -15.9 19.7 27 30 A E H X S+ 0 0 102 -4,-3.7 4,-1.7 1,-0.2 -1,-0.2 0.866 112.9 48.3 -62.0 -33.7 14.7 -13.9 22.3 28 31 A F H X S+ 0 0 11 -4,-2.1 4,-2.7 -5,-0.4 -2,-0.2 0.937 106.2 55.5 -71.3 -48.0 14.8 -10.9 20.0 29 32 A A H X S+ 0 0 2 -4,-3.1 4,-2.9 1,-0.2 5,-0.2 0.943 109.4 49.5 -48.1 -49.2 11.1 -11.2 19.1 30 33 A I H X S+ 0 0 37 -4,-2.5 4,-1.6 1,-0.2 -1,-0.2 0.907 108.7 50.2 -60.2 -43.0 10.4 -11.0 22.8 31 34 A Y H X S+ 0 0 85 -4,-1.7 4,-1.2 -5,-0.2 -1,-0.2 0.888 112.2 48.8 -61.1 -38.1 12.6 -8.0 23.3 32 35 A L H >< S+ 0 0 7 -4,-2.7 3,-0.7 1,-0.2 -2,-0.2 0.948 105.9 55.6 -69.0 -50.4 10.9 -6.3 20.4 33 36 A K H 3< S+ 0 0 52 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.820 113.3 44.0 -42.3 -40.3 7.4 -7.1 21.7 34 37 A K H 3< S+ 0 0 103 -4,-1.6 2,-0.4 -5,-0.2 -1,-0.2 0.753 105.5 75.9 -79.5 -25.3 8.5 -5.3 25.0 35 38 A N S << S- 0 0 70 -4,-1.2 3,-0.3 -3,-0.7 -1,-0.0 -0.785 89.7-100.5-114.2 139.7 10.1 -2.4 23.4 36 39 A K - 0 0 177 -2,-0.4 -1,-0.1 1,-0.2 -2,-0.1 -0.111 62.6 -78.3 -59.9 136.1 8.6 0.6 21.7 37 40 A Q - 0 0 95 1,-0.1 -1,-0.2 -4,-0.1 31,-0.1 -0.006 48.7-155.4 -54.8 115.1 8.7 0.3 18.0 38 41 A E - 0 0 66 -3,-0.3 2,-1.1 1,-0.1 3,-0.3 -0.629 19.8-129.7 -83.8 144.6 12.1 1.0 16.7 39 42 A P > + 0 0 76 0, 0.0 3,-1.2 0, 0.0 29,-0.1 -0.312 54.2 147.4 -86.5 51.8 12.4 2.2 13.1 40 43 A L T 3 + 0 0 40 -2,-1.1 29,-0.1 1,-0.3 28,-0.1 0.674 69.1 44.8 -69.0 -19.6 15.0 -0.5 12.5 41 44 A L T > S- 0 0 1 27,-2.8 3,-1.9 -3,-0.3 -1,-0.3 -0.340 79.9-179.8-117.1 53.4 13.9 -0.9 8.9 42 45 A Q T < S- 0 0 133 -3,-1.2 28,-0.2 1,-0.3 27,-0.1 -0.269 72.7 -10.4 -53.7 125.2 13.6 2.7 7.8 43 46 A G T 3 S+ 0 0 52 26,-2.1 -1,-0.3 1,-0.2 27,-0.2 0.520 96.8 138.0 63.1 7.6 12.6 2.8 4.2 44 47 A K < - 0 0 74 -3,-1.9 27,-0.8 25,-0.2 2,-0.4 -0.542 41.3-145.0 -80.9 157.0 13.1 -0.8 3.5 45 48 A I E -b 71 0A 39 25,-0.2 51,-1.3 -2,-0.2 50,-1.3 -0.981 9.8-159.3-131.2 132.7 10.4 -2.6 1.5 46 49 A L E -bc 72 96A 0 25,-2.7 27,-3.0 -2,-0.4 2,-0.3 -0.946 15.3-142.6-112.5 122.1 9.0 -6.1 1.6 47 50 A G E -bc 73 97A 0 49,-3.2 51,-2.8 -2,-0.6 2,-0.5 -0.630 12.3-154.4 -78.8 141.7 7.3 -7.5 -1.4 48 51 A L E -bc 74 98A 0 25,-3.1 27,-3.2 -2,-0.3 2,-0.5 -0.969 10.0-168.5-123.0 114.1 4.3 -9.6 -0.6 49 52 A I E -bc 75 99A 26 49,-2.6 51,-2.6 -2,-0.5 2,-0.4 -0.917 3.9-162.4-111.8 130.0 3.4 -12.2 -3.2 50 53 A F E +bc 76 100A 1 25,-0.7 27,-0.8 -2,-0.5 3,-0.2 -0.906 28.1 177.6-124.1 140.7 0.2 -14.2 -3.2 51 54 A D S S+ 0 0 92 49,-0.8 2,-0.4 1,-0.6 26,-0.2 0.929 97.8 2.2 -90.3 -72.0 -1.2 -17.3 -4.7 52 55 A K S S- 0 0 66 24,-0.1 -1,-0.6 48,-0.1 2,-0.2 -0.975 101.3-102.2-107.4 135.7 -4.5 -17.1 -3.1 53 56 A H - 0 0 111 -2,-0.4 2,-0.5 -3,-0.2 23,-0.0 -0.416 39.0-167.9 -54.4 124.9 -4.8 -14.0 -0.9 54 57 A S > - 0 0 22 -2,-0.2 4,-2.4 1,-0.2 3,-0.3 -0.892 9.7-164.7-121.9 109.1 -4.4 -14.8 2.8 55 58 A T H > S+ 0 0 79 -2,-0.5 4,-3.2 1,-0.2 5,-0.4 0.905 82.8 53.6 -50.7 -62.8 -5.3 -12.2 5.3 56 59 A R H > S+ 0 0 98 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.860 117.0 39.3 -49.9 -43.6 -3.7 -13.3 8.5 57 60 A T H > S+ 0 0 2 -3,-0.3 4,-2.2 2,-0.2 5,-0.3 0.972 116.3 49.0 -70.9 -54.3 -0.3 -13.6 6.8 58 61 A R H X S+ 0 0 59 -4,-2.4 4,-2.7 1,-0.2 5,-0.3 0.879 114.6 44.1 -51.7 -45.3 -0.5 -10.6 4.7 59 62 A V H X S+ 0 0 71 -4,-3.2 4,-3.2 -5,-0.2 5,-0.3 0.932 111.0 52.3 -72.9 -42.5 -1.6 -8.3 7.5 60 63 A S H X S+ 0 0 16 -4,-1.8 4,-1.6 -5,-0.4 -1,-0.2 0.862 116.1 42.8 -64.0 -33.5 0.9 -9.6 10.1 61 64 A F H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 5,-0.3 0.966 114.7 46.0 -75.9 -54.2 3.7 -9.0 7.6 62 65 A E H X S+ 0 0 53 -4,-2.7 4,-2.8 -5,-0.3 5,-0.2 0.953 113.4 52.5 -53.2 -48.3 2.7 -5.7 6.3 63 66 A A H X S+ 0 0 30 -4,-3.2 4,-3.0 -5,-0.3 5,-0.3 0.932 107.2 51.9 -50.0 -53.2 2.0 -4.5 9.8 64 67 A G H X S+ 0 0 1 -4,-1.6 4,-1.6 -5,-0.3 -1,-0.2 0.929 110.1 46.7 -53.8 -52.6 5.4 -5.5 11.0 65 68 A M H ><>S+ 0 0 0 -4,-2.4 5,-3.5 1,-0.2 3,-0.5 0.932 112.3 51.3 -56.1 -46.4 7.2 -3.7 8.3 66 69 A V H ><5S+ 0 0 85 -4,-2.8 3,-1.6 1,-0.3 -1,-0.2 0.918 110.2 48.8 -59.8 -41.8 5.2 -0.6 8.8 67 70 A Q H 3<5S+ 0 0 70 -4,-3.0 -1,-0.3 1,-0.3 -2,-0.2 0.743 108.7 54.1 -71.0 -22.0 5.9 -0.7 12.5 68 71 A L T <<5S- 0 0 2 -4,-1.6 -27,-2.8 -3,-0.5 -1,-0.3 0.346 126.3-100.7 -91.6 9.0 9.6 -1.2 11.7 69 72 A G T < 5S+ 0 0 20 -3,-1.6 -26,-2.1 -4,-0.2 -3,-0.2 0.627 90.7 107.5 85.0 16.4 9.5 2.0 9.6 70 73 A G < - 0 0 18 -5,-3.5 2,-0.3 -28,-0.2 -25,-0.2 0.119 62.8-118.9-102.7-148.0 9.3 -0.0 6.3 71 74 A H E -b 45 0A 91 -27,-0.8 -25,-2.7 -29,-0.1 2,-0.4 -0.949 8.4-140.6-160.3 144.6 6.6 -0.7 3.8 72 75 A G E -b 46 0A 2 -2,-0.3 2,-0.6 -27,-0.2 -25,-0.2 -0.898 14.2-151.9-108.6 140.5 4.9 -3.8 2.5 73 76 A M E -b 47 0A 74 -27,-3.0 -25,-3.1 -2,-0.4 2,-0.7 -0.933 9.6-144.2-119.4 109.8 4.2 -4.0 -1.2 74 77 A F E +b 48 0A 78 -2,-0.6 2,-0.3 -27,-0.2 -25,-0.2 -0.617 25.5 174.7 -78.1 118.4 1.2 -6.1 -2.0 75 78 A L E -b 49 0A 48 -27,-3.2 -25,-0.7 -2,-0.7 2,-0.3 -0.810 19.8-129.8-112.5 163.6 1.7 -8.0 -5.2 76 79 A N E -b 50 0A 82 -2,-0.3 -25,-0.1 -27,-0.2 -24,-0.1 -0.716 15.6-127.1-109.9 161.9 -0.5 -10.5 -6.9 77 80 A G S S+ 0 0 39 -27,-0.8 2,-1.4 -2,-0.3 -26,-0.1 0.188 85.1 104.3 -91.4 14.8 -0.1 -14.1 -8.3 78 81 A K 0 0 177 1,-0.2 -1,-0.2 -28,-0.0 -2,-0.1 -0.624 360.0 360.0 -75.6 66.6 -1.7 -12.8 -11.5 79 82 A E 0 0 150 -2,-1.4 -1,-0.2 -4,-0.1 -3,-0.1 -0.242 360.0 360.0 36.8 360.0 2.0 -13.0 -12.5 80 ! 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 81 89 A E 0 0 91 0, 0.0 5,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 137.0 7.0 -13.9 -17.6 82 90 A T > - 0 0 88 1,-0.1 4,-1.7 3,-0.1 5,-0.2 0.132 360.0-102.3 -60.2 169.1 8.3 -16.7 -15.3 83 91 A V T 4 S+ 0 0 47 1,-0.2 4,-0.2 2,-0.2 -1,-0.1 0.221 121.7 61.7 -76.0 9.9 8.9 -16.6 -11.6 84 92 A S T >> S+ 0 0 21 2,-0.1 4,-2.1 3,-0.1 3,-0.6 0.803 101.2 46.9 -89.7 -61.2 12.5 -16.2 -12.5 85 93 A D H 3> S+ 0 0 86 1,-0.2 4,-1.4 2,-0.2 -2,-0.2 0.865 112.4 52.6 -43.1 -45.0 12.2 -13.0 -14.4 86 94 A T H 3X S+ 0 0 51 -4,-1.7 4,-2.3 1,-0.2 -1,-0.2 0.861 106.2 52.5 -71.2 -33.5 10.1 -11.5 -11.5 87 95 A A H <> S+ 0 0 0 -3,-0.6 4,-1.9 1,-0.2 28,-0.3 0.951 106.5 53.5 -61.4 -47.5 12.7 -12.4 -8.9 88 96 A K H X S+ 0 0 87 -4,-2.1 4,-0.8 1,-0.2 -1,-0.2 0.868 112.0 46.5 -51.7 -40.1 15.5 -10.7 -10.9 89 97 A V H >X S+ 0 0 68 -4,-1.4 4,-1.3 -5,-0.2 3,-1.1 0.956 104.7 55.5 -75.8 -54.5 13.4 -7.5 -11.0 90 98 A L H >X S+ 0 0 22 -4,-2.3 4,-1.7 1,-0.2 3,-0.6 0.904 101.3 62.3 -43.8 -45.4 12.3 -7.3 -7.5 91 99 A S H 3< S+ 0 0 22 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.819 100.0 52.8 -56.1 -38.8 16.0 -7.4 -6.4 92 100 A H H << S+ 0 0 151 -3,-1.1 -1,-0.3 -4,-0.8 -2,-0.2 0.904 122.0 27.4 -58.0 -47.3 16.8 -4.2 -8.2 93 101 A Y H << S+ 0 0 180 -4,-1.3 2,-0.2 -3,-0.6 -2,-0.2 0.529 119.1 48.4 -99.8 -6.1 14.1 -2.1 -6.6 94 102 A I < - 0 0 11 -4,-1.7 -48,-0.1 -5,-0.2 3,-0.1 -0.803 59.0-136.5-141.5 173.1 13.5 -3.8 -3.3 95 103 A D S S- 0 0 48 -50,-1.3 2,-0.3 1,-0.3 -49,-0.2 0.707 77.6 -6.5-110.5 -28.6 14.9 -5.3 -0.1 96 104 A G E -c 46 0A 0 -51,-1.3 -49,-3.2 20,-0.2 2,-0.4 -0.991 51.8-138.0-164.8 166.2 13.1 -8.6 0.5 97 105 A I E -cd 47 118A 1 20,-2.4 22,-2.7 -2,-0.3 2,-0.5 -0.997 4.5-168.4-135.3 133.0 10.2 -10.9 -0.5 98 106 A M E -cd 48 119A 0 -51,-2.8 -49,-2.6 -2,-0.4 2,-0.4 -0.980 21.7-171.4-112.0 123.5 7.7 -12.9 1.4 99 107 A I E -cd 49 120A 13 20,-2.7 22,-4.0 -2,-0.5 23,-0.9 -0.950 18.8-171.8-119.6 137.9 5.9 -15.3 -0.8 100 108 A R E +cd 50 122A 45 -51,-2.6 -49,-0.8 -2,-0.4 2,-0.3 -0.997 30.4 139.0-116.7 126.5 2.9 -17.5 -0.2 101 109 A T - 0 0 15 21,-1.1 23,-0.1 -2,-0.4 21,-0.1 -0.860 54.9-114.4-149.6 178.5 2.3 -19.9 -3.0 102 110 A F S S+ 0 0 120 -2,-0.3 22,-2.8 21,-0.2 2,-0.7 0.936 93.6 65.1 -89.6 -51.7 1.2 -23.6 -3.2 103 111 A S >> - 0 0 41 20,-0.2 4,-1.0 1,-0.2 3,-0.7 -0.634 62.3-161.1 -80.8 115.4 4.2 -25.3 -4.7 104 112 A H H 3> S+ 0 0 12 -2,-0.7 4,-2.4 1,-0.2 3,-0.3 0.860 89.5 66.2 -61.7 -36.9 7.2 -25.2 -2.5 105 113 A A H 3> S+ 0 0 57 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.889 97.5 56.2 -49.8 -40.2 9.5 -26.0 -5.4 106 114 A D H <> S+ 0 0 63 -3,-0.7 4,-2.8 1,-0.2 -1,-0.2 0.905 106.5 49.0 -60.2 -44.4 8.5 -22.6 -6.8 107 115 A V H X S+ 0 0 0 -4,-1.0 4,-2.7 -3,-0.3 -2,-0.2 0.930 107.7 53.8 -62.3 -46.4 9.6 -20.8 -3.7 108 116 A E H X S+ 0 0 104 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.913 110.5 48.6 -51.7 -45.0 12.9 -22.6 -3.7 109 117 A E H X S+ 0 0 89 -4,-2.1 4,-2.5 1,-0.2 5,-0.4 0.957 108.5 51.0 -63.7 -54.3 13.4 -21.4 -7.2 110 118 A L H X S+ 0 0 5 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.888 110.8 51.5 -50.3 -39.9 12.5 -17.8 -6.5 111 119 A A H < S+ 0 0 3 -4,-2.7 -1,-0.2 2,-0.2 -2,-0.2 0.931 109.7 47.2 -65.8 -44.4 15.0 -17.9 -3.6 112 120 A K H < S+ 0 0 97 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.976 119.6 40.2 -58.6 -55.1 17.9 -19.2 -5.8 113 121 A E H < S+ 0 0 84 -4,-2.5 -1,-0.2 -5,-0.1 -2,-0.2 0.782 102.0 83.4 -68.5 -32.2 17.2 -16.7 -8.5 114 122 A S < - 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0 0 54 -6,-0.2 -2,-0.1 1,-0.1 -3,-0.0 -0.893 59.8-152.2 179.4 148.1 13.3 -23.3 27.7 145 153 A F > + 0 0 8 -2,-0.3 3,-1.6 25,-0.2 28,-0.3 0.620 64.8 110.2-104.0 -22.5 12.8 -26.2 25.3 146 154 A K T 3 S+ 0 0 193 1,-0.3 26,-0.1 26,-0.1 25,-0.1 -0.405 93.5 6.9 -52.3 116.2 15.0 -28.8 27.1 147 155 A G T 3 S+ 0 0 50 24,-0.6 2,-0.4 1,-0.2 -1,-0.3 0.691 96.4 131.0 92.1 25.6 12.5 -31.3 28.5 148 156 A I < - 0 0 16 -3,-1.6 25,-2.0 23,-0.3 2,-0.5 -0.908 41.1-151.4-121.0 136.5 9.3 -30.1 27.0 149 157 A K E -e 173 0B 43 -2,-0.4 68,-2.3 66,-0.2 69,-1.2 -0.923 8.5-172.9-113.4 129.5 6.6 -32.1 25.2 150 158 A L E -ef 174 218B 0 23,-2.2 25,-1.6 -2,-0.5 2,-0.5 -0.975 8.0-159.7-115.6 127.1 4.4 -30.8 22.5 151 159 A A E -ef 175 219B 0 67,-3.0 69,-1.8 -2,-0.5 2,-0.5 -0.916 5.4-170.9-103.5 132.3 1.6 -33.0 21.2 152 160 A Y E +ef 176 220B 0 23,-2.1 25,-2.1 -2,-0.5 2,-0.4 -0.992 7.3 178.1-117.4 125.0 0.1 -32.3 17.8 153 161 A V E +e 177 0B 0 67,-2.1 2,-0.3 -2,-0.5 69,-0.3 -0.971 40.2 55.0-124.3 144.2 -3.0 -34.2 16.9 154 162 A G S S- 0 0 0 23,-1.9 2,-0.3 -2,-0.4 69,-0.1 -0.990 92.7 -4.9 141.9-148.1 -4.9 -33.7 13.7 155 163 A D - 0 0 39 -2,-0.3 2,-2.1 68,-0.3 5,-0.2 -0.596 66.5-116.2 -83.6 144.4 -4.0 -33.8 10.0 156 164 A G + 0 0 10 26,-1.9 29,-0.2 -2,-0.3 -1,-0.1 -0.503 63.9 152.4 -80.3 76.3 -0.4 -34.2 9.0 157 165 A N > - 0 0 20 -2,-2.1 4,-2.6 27,-0.1 5,-0.2 -0.196 61.7 -82.4-107.4-175.2 -0.3 -30.9 7.4 158 166 A N H > S+ 0 0 25 -34,-0.3 4,-2.6 1,-0.2 -31,-0.8 0.840 126.7 51.5 -61.6 -33.4 2.3 -28.1 6.6 159 167 A V H > S+ 0 0 7 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.874 108.7 53.4 -75.2 -29.7 2.1 -26.6 10.1 160 168 A C H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.978 108.5 48.8 -59.6 -54.5 2.7 -30.0 11.4 161 169 A H H X S+ 0 0 4 -4,-2.6 4,-2.2 1,-0.2 5,-0.3 0.941 111.1 49.9 -50.5 -49.2 5.8 -30.4 9.2 162 170 A S H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.3 -1,-0.2 0.877 109.1 51.8 -68.7 -28.8 7.0 -27.0 10.4 163 171 A L H X S+ 0 0 1 -4,-2.1 4,-3.2 2,-0.2 5,-0.3 0.890 106.6 54.6 -69.4 -37.0 6.5 -27.9 14.0 164 172 A L H X S+ 0 0 0 -4,-2.5 4,-3.0 -3,-0.2 5,-0.2 0.988 113.2 40.1 -61.0 -55.3 8.4 -31.1 13.6 165 173 A L H X S+ 0 0 1 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.931 115.9 52.6 -57.0 -47.1 11.5 -29.4 12.2 166 174 A A H X S+ 0 0 0 -4,-2.6 4,-1.7 -5,-0.3 -1,-0.2 0.938 112.8 43.6 -56.3 -46.0 11.1 -26.6 14.6 167 175 A S H X>S+ 0 0 0 -4,-3.2 5,-2.3 1,-0.2 4,-1.1 0.939 111.9 53.3 -70.3 -43.1 10.9 -28.9 17.6 168 176 A A H ><5S+ 0 0 0 -4,-3.0 3,-0.6 -5,-0.3 33,-0.3 0.894 107.5 52.9 -54.5 -44.8 13.8 -31.0 16.4 169 177 A K H 3<5S+ 0 0 31 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.897 115.8 37.5 -61.5 -41.6 16.0 -28.0 16.0 170 178 A V H 3<5S- 0 0 10 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.427 112.4-111.6 -96.6 4.5 15.4 -26.8 19.6 171 179 A G T <<5 + 0 0 10 -4,-1.1 -24,-0.6 -3,-0.6 2,-0.5 0.777 65.4 148.4 75.2 24.4 15.4 -30.2 21.3 172 180 A M < - 0 0 0 -5,-2.3 -1,-0.3 -6,-0.2 2,-0.2 -0.816 48.0-123.7 -89.4 135.9 11.8 -30.1 22.1 173 181 A H E +e 149 0B 37 -25,-2.0 -23,-2.2 -2,-0.5 2,-0.3 -0.541 33.5 179.6 -76.7 142.6 10.1 -33.4 22.2 174 182 A M E -eg 150 203B 0 28,-1.8 30,-1.9 -25,-0.2 2,-0.4 -0.985 13.4-170.4-148.2 130.1 7.0 -33.8 19.9 175 183 A T E -eg 151 204B 17 -25,-1.6 -23,-2.1 -2,-0.3 2,-0.4 -0.961 12.5-152.3-117.2 145.1 4.7 -36.7 19.2 176 184 A V E -eg 152 205B 0 28,-2.2 30,-3.2 -2,-0.4 2,-0.5 -0.965 8.3-169.1-119.7 133.3 2.1 -36.6 16.5 177 185 A A E +eg 153 206B 0 -25,-2.1 -23,-1.9 -2,-0.4 30,-0.3 -0.987 20.4 157.1-117.2 122.4 -1.2 -38.5 16.3 178 186 A T - 0 0 0 28,-1.7 -23,-0.1 -2,-0.5 5,-0.1 -0.982 44.3 -94.9-136.7 153.6 -3.0 -38.5 13.0 179 187 A P > - 0 0 0 0, 0.0 3,-1.5 0, 0.0 -23,-0.1 -0.122 52.3 -86.6 -63.0 170.5 -5.6 -40.8 11.6 180 188 A V T 3 S+ 0 0 8 1,-0.3 3,-0.4 2,-0.1 309,-0.1 0.759 123.4 37.3 -55.8 -39.6 -4.5 -43.6 9.4 181 189 A G T 3 S+ 0 0 27 1,-0.2 -1,-0.3 305,-0.1 305,-0.1 0.705 107.9 64.9 -80.2 -17.6 -4.5 -41.8 6.1 182 190 A Y < + 0 0 81 -3,-1.5 -26,-1.9 -28,-0.1 -1,-0.2 -0.023 58.8 139.2-117.1 28.8 -3.2 -38.5 7.2 183 191 A R - 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