==== 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 TRANSFERASE 29-APR-04 1T4C . COMPND 2 MOLECULE: FORMYL-COENZYME A TRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: OXALOBACTER FORMIGENES; . AUTHOR S.RICAGNO,S.JONSSON,N.G.RICHARDS,Y.LINDQVIST . 854 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 30765.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 573 67.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 51 6.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 47 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 . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 49 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 125 14.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 243 28.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 2.1 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 6 0 5 6 3 1 3 0 4 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 5 3 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 . 3 1 4 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 ANTIPARALLEL BRIDGES PER LADDER . 3 2 0 0 0 0 2 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 2 A T 0 0 122 0, 0.0 390,-0.2 0, 0.0 612,-0.0 0.000 360.0 360.0 360.0 -40.2 72.8 3.4 36.8 2 3 A K > - 0 0 39 388,-0.1 3,-1.7 3,-0.1 26,-0.1 -0.788 360.0-135.6-161.2 119.3 75.0 3.8 33.8 3 4 A P T 3 S+ 0 0 0 0, 0.0 26,-0.2 0, 0.0 613,-0.1 0.765 100.2 35.3 -57.0 -33.6 74.3 1.7 30.7 4 5 A L T > S+ 0 0 0 24,-2.9 3,-2.4 21,-0.2 27,-0.3 0.211 77.4 141.6-112.2 19.2 77.9 0.7 29.9 5 6 A D T < S+ 0 0 66 -3,-1.7 25,-0.2 23,-0.4 3,-0.1 -0.322 78.7 15.6 -49.4 132.7 79.3 0.3 33.4 6 7 A G T 3 S+ 0 0 66 23,-0.6 2,-0.6 1,-0.2 -1,-0.3 0.345 91.3 123.4 78.9 -8.2 81.5 -2.7 33.3 7 8 A I < - 0 0 10 -3,-2.4 24,-2.8 22,-0.1 2,-0.4 -0.793 50.6-153.3 -78.2 118.0 81.8 -2.9 29.5 8 9 A N E -a 31 0A 30 -2,-0.6 82,-2.8 80,-0.2 83,-1.8 -0.816 5.8-158.4-101.9 134.9 85.5 -2.7 28.8 9 10 A V E -ab 32 91A 1 22,-3.0 24,-3.2 -2,-0.4 2,-0.8 -0.954 13.4-154.8-119.6 117.0 86.7 -1.4 25.5 10 11 A L E -ab 33 92A 4 81,-2.3 83,-2.1 -2,-0.6 2,-0.7 -0.870 28.2-162.5 -84.1 105.0 90.0 -2.1 24.0 11 12 A D E +ab 34 93A 0 22,-3.0 24,-3.4 -2,-0.8 83,-0.1 -0.847 29.1 166.3-106.6 110.1 90.2 1.0 21.8 12 13 A F + 0 0 4 81,-2.8 82,-0.2 -2,-0.7 -1,-0.1 0.470 40.7 128.7 -93.9 -0.5 92.7 1.1 19.0 13 14 A T - 0 0 2 80,-0.4 2,-0.3 5,-0.1 29,-0.1 -0.147 33.7-176.4 -73.9 152.6 91.2 4.2 17.4 14 15 A H > + 0 0 40 81,-0.2 4,-0.6 28,-0.1 2,-0.3 -0.884 48.4 11.9-136.8 165.1 92.7 7.4 16.3 15 16 A V T 4 S- 0 0 20 -2,-0.3 47,-0.0 1,-0.2 27,-0.0 -0.582 107.3 -46.8 72.7-123.4 91.6 10.8 14.8 16 17 A Q T > S+ 0 0 3 -2,-0.3 4,-2.2 3,-0.1 5,-0.2 0.775 120.5 55.2-113.9 -50.2 87.8 11.5 14.8 17 18 A A H > S+ 0 0 5 2,-0.2 4,-1.2 1,-0.2 -2,-0.1 0.965 116.8 32.9 -60.1 -57.0 85.5 8.6 13.6 18 19 A G H X S+ 0 0 0 -4,-0.6 4,-1.9 1,-0.2 3,-0.4 0.946 120.1 49.0 -67.0 -50.8 86.7 5.9 15.9 19 20 A P H > S+ 0 0 0 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.831 104.7 60.2 -58.1 -32.0 87.5 8.0 19.0 20 21 A A H X S+ 0 0 4 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.911 107.4 47.1 -63.2 -40.5 84.2 9.8 18.8 21 22 A C H X S+ 0 0 0 -4,-1.2 4,-1.9 -3,-0.4 -1,-0.2 0.904 113.8 44.8 -64.5 -47.9 82.5 6.5 19.2 22 23 A T H X S+ 0 0 0 -4,-1.9 4,-2.8 1,-0.2 -2,-0.2 0.897 110.9 54.8 -70.2 -35.2 84.7 5.3 22.1 23 24 A Q H X S+ 0 0 1 -4,-2.8 4,-2.7 39,-0.3 -1,-0.2 0.955 108.0 48.7 -58.7 -48.9 84.4 8.6 23.9 24 25 A M H X S+ 0 0 1 -4,-1.9 4,-1.4 1,-0.3 -1,-0.2 0.884 110.7 50.7 -66.5 -32.8 80.6 8.4 23.7 25 26 A M H <>S+ 0 0 0 -4,-1.9 5,-2.2 2,-0.2 3,-0.3 0.924 109.2 52.4 -63.1 -43.5 80.7 4.9 25.1 26 27 A G H ><5S+ 0 0 2 -4,-2.8 3,-2.2 1,-0.2 -2,-0.2 0.940 105.1 54.4 -55.6 -46.6 83.0 6.3 27.8 27 28 A F H 3<5S+ 0 0 1 -4,-2.7 366,-0.3 1,-0.3 -1,-0.2 0.804 106.2 52.2 -59.6 -32.5 80.3 9.0 28.6 28 29 A L T 3<5S- 0 0 0 -4,-1.4 -24,-2.9 -3,-0.3 -23,-0.4 0.287 133.5 -90.0 -84.1 6.0 77.7 6.2 29.1 29 30 A G T < 5S+ 0 0 18 -3,-2.2 -23,-0.6 1,-0.3 -3,-0.2 0.392 74.9 145.7 108.7 -1.7 80.1 4.5 31.6 30 31 A A < - 0 0 10 -5,-2.2 2,-0.9 -25,-0.2 -1,-0.3 -0.254 52.5-120.9 -62.4 152.8 82.3 2.1 29.6 31 32 A N E -a 8 0A 56 -24,-2.8 -22,-3.0 -27,-0.3 2,-0.6 -0.842 35.7-167.4 -97.6 99.7 85.9 1.5 30.7 32 33 A V E -a 9 0A 3 -2,-0.9 35,-1.9 33,-0.5 2,-0.6 -0.825 12.8-169.5 -98.2 120.7 87.8 2.6 27.6 33 34 A I E -ac 10 67A 15 -24,-3.2 -22,-3.0 -2,-0.6 2,-0.5 -0.942 15.0-152.0-105.5 112.8 91.5 1.7 27.4 34 35 A K E -ac 11 68A 0 33,-3.3 35,-2.2 -2,-0.6 2,-0.5 -0.754 3.3-147.5 -91.0 122.6 93.0 3.6 24.4 35 36 A I E - c 0 69A 9 -24,-3.4 2,-0.3 -2,-0.5 35,-0.2 -0.821 21.9-175.9 -94.0 124.8 96.0 1.9 22.8 36 37 A E E - c 0 70A 7 33,-2.5 35,-2.4 -2,-0.5 2,-0.1 -0.875 30.4-101.2-125.4 147.8 98.5 4.4 21.4 37 38 A R > - 0 0 157 -2,-0.3 4,-1.0 33,-0.2 35,-0.2 -0.425 49.9 -99.3 -67.6 137.7 101.7 4.1 19.4 38 39 A R T 4 S+ 0 0 81 33,-0.2 2,-0.7 1,-0.2 -1,-0.1 -0.417 101.5 9.3 -57.9 126.4 104.9 4.5 21.5 39 40 A G T 4 S+ 0 0 60 1,-0.2 -1,-0.2 -2,-0.2 361,-0.1 -0.484 137.8 25.7 110.0 -59.7 106.3 8.0 21.2 40 41 A S T 4 S- 0 0 78 -2,-0.7 -1,-0.2 1,-0.1 -2,-0.1 0.764 78.2-177.3-105.2 -41.2 103.6 10.0 19.3 41 42 A G < + 0 0 9 -4,-1.0 -1,-0.1 4,-0.1 -5,-0.1 -0.269 57.4 8.5 66.0-161.4 100.3 8.3 19.9 42 43 A D S > S- 0 0 5 1,-0.1 3,-2.1 -29,-0.1 4,-0.3 -0.322 72.3-132.3 -53.5 122.5 97.1 9.6 18.3 43 44 A M G > S+ 0 0 77 1,-0.3 3,-2.5 2,-0.2 4,-0.5 0.895 99.1 74.5 -40.0 -55.1 97.9 12.2 15.7 44 45 A T G > S+ 0 0 0 1,-0.3 3,-0.8 2,-0.2 15,-0.6 0.668 81.0 74.7 -42.3 -21.5 95.3 14.6 17.0 45 46 A R G < S+ 0 0 14 -3,-2.1 11,-1.8 1,-0.2 -1,-0.3 0.902 106.7 30.8 -59.0 -43.3 97.5 15.3 20.0 46 47 A G G < S+ 0 0 46 -3,-2.5 2,-0.5 -4,-0.3 3,-0.4 0.260 98.6 105.5 -98.9 10.1 99.9 17.4 17.9 47 48 A W S < S- 0 0 44 -3,-0.8 11,-0.4 -4,-0.5 12,-0.2 -0.830 95.4 -15.3-103.1 124.1 97.3 18.8 15.4 48 49 A L S S- 0 0 19 -2,-0.5 9,-0.4 1,-0.1 -1,-0.2 0.847 84.1-173.4 56.3 43.3 96.1 22.4 15.7 49 50 A Q - 0 0 74 -3,-0.4 -1,-0.1 7,-0.2 7,-0.1 -0.246 22.8-157.3 -62.6 151.3 97.5 22.8 19.2 50 51 A D S S+ 0 0 28 1,-0.3 -1,-0.1 4,-0.2 5,-0.1 0.722 83.9 27.2-101.1 -26.4 96.6 26.0 21.0 51 52 A K S > S- 0 0 105 3,-0.3 3,-1.1 4,-0.1 -1,-0.3 -0.975 98.3-103.9-124.9 140.2 99.6 26.0 23.5 52 53 A P T 3 S+ 0 0 115 0, 0.0 3,-0.1 0, 0.0 -6,-0.0 -0.368 100.4 13.6 -70.9 149.4 102.8 24.2 22.5 53 54 A N T 3 S+ 0 0 170 1,-0.2 2,-0.4 -2,-0.1 -7,-0.1 0.727 105.0 112.4 56.2 27.1 103.7 20.7 24.0 54 55 A V S < S- 0 0 40 -3,-1.1 -3,-0.3 -9,-0.1 -1,-0.2 -0.987 80.7-100.9-122.9 134.4 100.1 20.6 25.2 55 56 A D - 0 0 28 -2,-0.4 -5,-0.2 -3,-0.1 -9,-0.2 -0.221 47.2-113.7 -51.7 135.5 97.6 18.1 23.8 56 57 A S > - 0 0 0 -11,-1.8 4,-2.3 -12,-0.3 -7,-0.2 -0.072 15.1-114.5 -70.0 166.2 95.3 19.9 21.3 57 58 A L H > S+ 0 0 4 -9,-0.4 4,-2.8 2,-0.2 5,-0.3 0.823 117.2 66.2 -67.1 -33.1 91.6 20.5 21.7 58 59 A Y H > S+ 0 0 7 -11,-0.4 4,-0.5 -14,-0.2 -1,-0.2 0.942 108.6 39.3 -52.3 -44.1 91.1 18.2 18.8 59 60 A F H >4 S+ 0 0 0 -15,-0.6 3,-1.0 -12,-0.2 -2,-0.2 0.963 116.4 46.9 -72.1 -51.2 92.5 15.5 21.1 60 61 A T H >X S+ 0 0 2 -4,-2.3 3,-1.0 1,-0.2 4,-0.8 0.839 108.2 53.7 -65.9 -33.8 90.8 16.4 24.3 61 62 A M H 3< S+ 0 0 0 -4,-2.8 320,-0.3 1,-0.2 -1,-0.2 0.645 118.0 38.7 -79.3 -8.7 87.3 17.0 23.0 62 63 A F T << S+ 0 0 0 -3,-1.0 -39,-0.3 -4,-0.5 -1,-0.2 0.146 117.8 48.1-114.7 9.2 87.4 13.4 21.4 63 64 A N T <4 + 0 0 0 -3,-1.0 3,-0.5 -4,-0.2 -2,-0.2 0.344 68.0 125.2-144.5 12.9 89.2 11.6 24.2 64 65 A C < + 0 0 0 -4,-0.8 332,-0.2 333,-0.2 333,-0.2 -0.248 69.9 36.1 -57.3 161.1 87.7 12.3 27.6 65 66 A N S S+ 0 0 27 330,-1.4 -33,-0.5 1,-0.2 2,-0.3 0.852 100.4 99.8 52.4 42.7 86.6 9.3 29.7 66 67 A K - 0 0 12 -3,-0.5 2,-0.3 330,-0.3 -1,-0.2 -0.979 61.9-136.1-143.5 160.3 89.5 7.1 28.5 67 68 A R E -c 33 0A 30 -35,-1.9 -33,-3.3 -2,-0.3 2,-0.5 -0.850 21.0-134.6-110.7 149.6 92.9 5.9 29.7 68 69 A S E +c 34 0A 0 -2,-0.3 335,-1.7 331,-0.2 2,-0.4 -0.914 22.5 174.0-108.1 132.1 96.0 5.8 27.6 69 70 A I E -c 35 0A 2 -35,-2.2 -33,-2.5 -2,-0.5 2,-0.3 -0.997 23.8-139.2-125.2 137.4 98.5 3.0 27.4 70 71 A E E +c 36 0A 35 -2,-0.4 2,-0.3 357,-0.3 -33,-0.2 -0.702 29.3 170.8 -88.1 151.0 101.4 3.1 24.8 71 72 A L - 0 0 3 -35,-2.4 2,-0.9 -2,-0.3 -33,-0.2 -0.872 35.5-144.4-164.7 127.1 102.2 -0.1 23.0 72 73 A D > - 0 0 26 354,-2.2 3,-1.2 -2,-0.3 6,-0.3 -0.828 18.8-170.5 -89.4 105.9 104.3 -1.4 20.1 73 74 A M T 3 S+ 0 0 22 -2,-0.9 -1,-0.1 1,-0.2 353,-0.0 0.446 75.2 72.5 -81.2 0.5 102.1 -4.1 18.6 74 75 A K T 3 S+ 0 0 144 4,-0.1 -1,-0.2 352,-0.0 352,-0.0 0.597 82.1 89.5 -80.5 -17.0 104.9 -5.4 16.3 75 76 A T S <> S- 0 0 24 -3,-1.2 4,-1.7 1,-0.1 3,-0.3 -0.596 82.5-125.4 -90.0 143.7 106.8 -6.9 19.2 76 77 A P H > S+ 0 0 103 0, 0.0 4,-1.2 0, 0.0 -1,-0.1 0.829 112.6 49.0 -49.0 -41.0 106.4 -10.5 20.5 77 78 A E H > S+ 0 0 67 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.799 108.1 53.2 -75.7 -31.6 105.7 -9.2 24.1 78 79 A G H > S+ 0 0 0 -3,-0.3 4,-1.7 -6,-0.3 -1,-0.2 0.857 107.8 50.9 -67.9 -34.9 103.2 -6.5 22.9 79 80 A K H X S+ 0 0 58 -4,-1.7 4,-1.8 2,-0.2 -2,-0.2 0.873 108.4 53.0 -70.4 -35.5 101.2 -9.2 21.1 80 81 A E H X S+ 0 0 98 -4,-1.2 4,-1.6 1,-0.2 -2,-0.2 0.935 109.4 48.1 -62.5 -49.7 101.2 -11.3 24.3 81 82 A L H X S+ 0 0 4 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.809 108.9 54.5 -55.7 -37.9 99.8 -8.3 26.2 82 83 A L H X S+ 0 0 0 -4,-1.7 4,-2.4 2,-0.2 -1,-0.2 0.888 103.8 54.5 -67.4 -41.1 97.1 -7.8 23.6 83 84 A E H X S+ 0 0 50 -4,-1.8 4,-1.7 2,-0.2 -2,-0.2 0.912 109.4 47.5 -58.9 -43.7 96.0 -11.3 23.9 84 85 A Q H X S+ 0 0 67 -4,-1.6 4,-0.8 1,-0.2 -1,-0.2 0.925 113.9 47.6 -63.6 -42.2 95.5 -10.9 27.7 85 86 A M H X S+ 0 0 9 -4,-2.1 4,-1.1 1,-0.2 3,-0.3 0.841 107.7 55.1 -70.5 -33.5 93.6 -7.6 27.1 86 87 A I H < S+ 0 0 0 -4,-2.4 3,-0.3 1,-0.2 -1,-0.2 0.869 104.2 56.0 -66.1 -36.9 91.4 -9.1 24.4 87 88 A K H < S+ 0 0 120 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.747 112.6 41.4 -69.1 -21.4 90.4 -11.8 26.9 88 89 A K H < S+ 0 0 124 -4,-0.8 -1,-0.2 -3,-0.3 -80,-0.2 0.616 100.3 95.0 -97.5 -12.7 89.2 -9.1 29.3 89 90 A A < - 0 0 2 -4,-1.1 -80,-0.2 -3,-0.3 3,-0.1 -0.409 51.4-165.4 -84.5 153.4 87.6 -6.9 26.7 90 91 A D S S+ 0 0 20 -82,-2.8 29,-2.7 1,-0.4 2,-0.4 0.710 82.0 16.8 -98.2 -40.9 83.9 -6.7 25.7 91 92 A V E -bd 9 119A 0 -83,-1.8 -81,-2.3 27,-0.2 2,-0.5 -0.999 59.5-158.9-135.5 140.3 84.5 -4.7 22.6 92 93 A M E -bd 10 120A 0 27,-2.9 29,-2.9 -2,-0.4 2,-0.4 -0.982 17.3-164.6-110.2 130.7 87.5 -3.9 20.5 93 94 A V E +bd 11 121A 0 -83,-2.1 -81,-2.8 -2,-0.5 -80,-0.4 -0.960 12.5 170.9-119.0 131.0 87.1 -0.9 18.3 94 95 A E E + d 0 122A 21 27,-2.3 29,-1.9 -2,-0.4 -81,-0.1 -0.998 28.9 177.2-145.4 147.3 89.4 -0.0 15.4 95 96 A N + 0 0 25 -2,-0.3 -81,-0.2 27,-0.2 -77,-0.1 -0.439 42.3 128.8-139.2 66.4 89.8 2.4 12.5 96 97 A F S S- 0 0 59 1,-0.1 28,-0.1 -83,-0.1 -1,-0.1 0.335 70.4-100.6-104.6 -7.1 93.1 1.3 11.0 97 98 A G > - 0 0 34 26,-0.5 3,-1.5 -3,-0.1 4,-0.2 0.274 64.5 -37.7 80.2 143.4 92.4 0.8 7.4 98 99 A P T 3 S- 0 0 66 0, 0.0 26,-0.0 0, 0.0 -3,-0.0 0.159 119.5 -1.1 -62.3 143.2 91.9 -2.5 5.8 99 100 A G T 3> S+ 0 0 28 1,-0.1 4,-1.8 3,-0.0 5,-0.2 0.347 92.3 119.7 74.6 -2.9 93.7 -5.7 6.7 100 101 A A H <> S+ 0 0 17 -3,-1.5 4,-0.6 1,-0.2 6,-0.1 0.913 74.8 41.5 -67.0 -46.9 95.8 -3.9 9.3 101 102 A L H >4>S+ 0 0 3 1,-0.2 5,-1.9 2,-0.2 3,-1.1 0.877 111.5 57.7 -63.9 -41.6 94.8 -5.9 12.4 102 103 A D H >45S+ 0 0 83 1,-0.3 3,-1.0 3,-0.2 5,-0.3 0.858 104.0 54.1 -55.1 -35.6 95.0 -9.1 10.4 103 104 A R H 3<5S+ 0 0 181 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.652 101.2 57.3 -76.0 -18.5 98.6 -8.2 9.6 104 105 A M T <<5S- 0 0 48 -3,-1.1 -1,-0.3 -4,-0.6 -2,-0.2 0.536 127.6-101.4 -81.4 -8.6 99.3 -7.8 13.3 105 106 A G T < 5S+ 0 0 40 -3,-1.0 2,-0.9 -4,-0.4 -3,-0.2 0.287 92.5 115.1 104.2 -6.1 98.1 -11.4 13.7 106 107 A F < + 0 0 5 -5,-1.9 -3,-0.1 -6,-0.1 -4,-0.1 -0.516 36.3 165.7-105.4 66.8 94.6 -10.6 15.0 107 108 A T > - 0 0 39 -2,-0.9 4,-2.5 -5,-0.3 5,-0.2 -0.307 55.0-106.0 -59.6 156.9 92.3 -11.8 12.4 108 109 A W H > S+ 0 0 18 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.887 121.5 59.6 -51.5 -37.3 88.7 -12.1 13.4 109 110 A E H > S+ 0 0 126 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.898 108.6 40.1 -65.1 -45.2 89.2 -15.9 13.5 110 111 A Y H > S+ 0 0 80 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.910 111.8 57.0 -70.2 -43.2 92.0 -15.8 16.1 111 112 A I H X S+ 0 0 0 -4,-2.5 4,-2.9 2,-0.2 -2,-0.2 0.936 105.1 52.3 -53.6 -47.0 90.2 -13.1 18.1 112 113 A Q H < S+ 0 0 57 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.935 109.0 49.9 -54.8 -45.6 87.2 -15.4 18.3 113 114 A E H < S+ 0 0 155 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.857 112.4 47.7 -61.9 -36.8 89.5 -18.2 19.6 114 115 A L H < S+ 0 0 17 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.926 137.1 0.8 -68.4 -42.3 91.0 -15.8 22.3 115 116 A N >< - 0 0 18 -4,-2.9 3,-1.1 -5,-0.2 -1,-0.2 -0.771 56.9-168.5-151.6 95.5 87.5 -14.5 23.4 116 117 A P T 3 S+ 0 0 59 0, 0.0 76,-2.5 0, 0.0 -4,-0.1 0.613 92.1 55.6 -59.0 -9.9 84.3 -16.0 21.9 117 118 A R T 3 S+ 0 0 103 74,-0.3 76,-0.2 -28,-0.1 2,-0.2 0.682 81.2 105.3 -96.7 -23.2 82.5 -13.1 23.7 118 119 A V < - 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0 0 54 -2,-0.4 4,-2.1 -63,-0.2 3,-0.2 -0.318 43.2 -96.4 -65.5 162.9 67.6 40.5 15.1 332 333 A K H > S+ 0 0 6 1,-0.2 4,-2.1 -63,-0.2 5,-0.1 0.755 124.4 54.3 -54.3 -34.1 67.1 36.7 14.7 333 334 A F H > S+ 0 0 91 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.923 106.8 48.0 -70.2 -47.5 65.9 36.4 18.3 334 335 A E H > S+ 0 0 93 -3,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.921 114.4 49.5 -56.0 -42.3 63.2 39.0 18.0 335 336 A V H X S+ 0 0 0 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.890 111.3 47.7 -67.7 -39.3 62.1 37.2 14.8 336 337 A T H X S+ 0 0 9 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.890 113.2 47.6 -68.2 -41.5 62.1 33.8 16.4 337 338 A E H X S+ 0 0 120 -4,-2.6 4,-0.9 2,-0.2 -2,-0.2 0.871 113.8 48.2 -68.5 -36.8 60.1 35.1 19.4 338 339 A W H >X S+ 0 0 47 -4,-2.3 3,-1.2 -5,-0.3 4,-0.5 0.978 112.6 47.3 -65.8 -59.2 57.7 36.8 17.0 339 340 A A H ><>S+ 0 0 0 -4,-2.7 3,-1.6 1,-0.2 5,-1.3 0.851 106.2 60.8 -39.9 -46.5 57.3 33.6 14.8 340 341 A A H ><5S+ 0 0 44 -4,-2.1 3,-1.0 1,-0.3 -1,-0.2 0.774 91.4 66.1 -63.2 -26.4 56.8 31.6 18.0 341 342 A Q H <<5S+ 0 0 137 -3,-1.2 -1,-0.3 -4,-0.9 -2,-0.2 0.810 108.0 41.1 -62.8 -25.4 53.7 33.6 18.8 342 343 A Y T <<5S- 0 0 74 -3,-1.6 -1,-0.2 -4,-0.5 -2,-0.2 0.322 111.8-116.9-102.7 3.0 52.1 32.1 15.7 343 344 A G T < 5 + 0 0 24 -3,-1.0 -3,-0.2 -4,-0.3 -2,-0.1 0.432 63.7 151.5 71.8 -1.6 53.4 28.5 16.2 344 345 A I < - 0 0 6 -5,-1.3 2,-0.9 1,-0.1 220,-0.3 -0.389 54.3-114.6 -64.8 135.4 55.4 28.9 12.9 345 346 A P + 0 0 0 0, 0.0 -63,-1.5 0, 0.0 2,-0.3 -0.584 61.4 139.4 -71.6 105.4 58.6 26.8 12.8 346 347 A C E +J 281 0C 4 -2,-0.9 -65,-0.2 218,-0.4 218,-0.1 -0.993 20.9 169.2-152.8 133.3 61.3 29.4 12.6 347 348 A G E -J 280 0C 0 -67,-2.0 -67,-3.1 -2,-0.3 2,-0.2 -0.967 29.5-102.5-150.0 162.1 64.7 29.6 14.3 348 349 A P E -J 279 0C 2 0, 0.0 2,-0.9 0, 0.0 -69,-0.2 -0.489 30.8-112.9 -87.5 153.2 67.9 31.5 14.4 349 350 A V - 0 0 0 -71,-2.3 2,-0.4 -73,-0.3 -71,-0.3 -0.826 38.3-146.7 -75.8 109.0 71.2 30.6 13.0 350 351 A M - 0 0 14 222,-1.8 228,-0.4 -2,-0.9 2,-0.2 -0.692 5.7-140.9 -81.6 129.1 73.3 30.1 16.1 351 352 A S > - 0 0 8 -2,-0.4 4,-2.1 1,-0.1 5,-0.1 -0.460 24.1-112.8 -81.3 160.9 77.0 31.0 15.8 352 353 A M H > S+ 0 0 0 326,-0.3 4,-3.0 1,-0.2 5,-0.2 0.852 117.7 54.6 -69.1 -37.1 79.5 29.0 17.5 353 354 A K H > S+ 0 0 91 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.923 109.2 49.1 -57.0 -47.7 80.4 31.7 20.0 354 355 A E H >4 S+ 0 0 55 1,-0.2 3,-0.5 2,-0.2 4,-0.5 0.925 113.9 47.2 -58.4 -38.9 76.7 31.9 20.9 355 356 A L H >< S+ 0 0 1 -4,-2.1 3,-1.0 1,-0.2 -2,-0.2 0.919 106.0 55.2 -73.4 -44.8 76.7 28.1 21.3 356 357 A A H 3< S+ 0 0 0 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.715 120.0 33.1 -61.9 -19.9 79.8 27.9 23.4 357 358 A H T << S+ 0 0 101 -4,-1.0 -1,-0.2 -3,-0.5 -2,-0.2 0.258 82.4 130.7-122.8 9.8 78.4 30.3 26.0 358 359 A D <> - 0 0 30 -3,-1.0 4,-1.0 -4,-0.5 5,-0.2 -0.481 48.5-150.6 -66.0 123.0 74.7 29.5 25.9 359 360 A P H >> S+ 0 0 101 0, 0.0 4,-2.2 0, 0.0 3,-0.7 0.929 93.4 58.3 -59.6 -42.9 73.3 29.0 29.4 360 361 A S H 3> S+ 0 0 16 1,-0.2 4,-2.0 2,-0.2 6,-0.2 0.923 102.8 51.1 -56.0 -43.1 70.6 26.6 28.2 361 362 A L H 34>S+ 0 0 0 1,-0.2 5,-1.9 2,-0.2 6,-1.7 0.795 112.4 46.9 -68.1 -24.8 73.1 24.2 26.7 362 363 A Q H X<5S+ 0 0 76 -4,-1.0 3,-0.6 -3,-0.7 -1,-0.2 0.799 107.7 56.8 -85.8 -29.1 75.1 24.0 29.9 363 364 A K H 3<5S+ 0 0 156 -4,-2.2 -2,-0.2 1,-0.2 -3,-0.1 0.969 111.5 41.7 -61.7 -50.3 72.1 23.5 32.1 364 365 A V T 3<5S- 0 0 22 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.425 115.7-112.4 -81.1 1.5 71.0 20.4 30.2 365 366 A G T < 5S+ 0 0 25 -3,-0.6 18,-0.4 2,-0.3 -3,-0.2 0.630 84.3 116.2 77.7 18.6 74.6 19.0 29.9 366 367 A T S - 0 0 1 -2,-0.7 4,-1.6 1,-0.1 -2,-0.0 -0.940 13.5-177.7-134.5 101.9 91.3 19.6 33.4 373 374 A E T 4 S+ 0 0 137 -2,-0.4 -1,-0.1 2,-0.2 4,-0.1 0.733 83.2 48.4 -79.5 -27.0 93.9 20.7 36.1 374 375 A I T 4 S+ 0 0 90 2,-0.1 -1,-0.2 1,-0.1 3,-0.1 0.938 125.7 20.8 -76.5 -58.2 96.8 19.9 33.8 375 376 A R T 4 S- 0 0 28 1,-0.2 -2,-0.2 3,-0.0 2,-0.1 0.659 115.5 -96.4 -95.0 -9.7 95.8 21.6 30.6 376 377 A G < - 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0 0 154 -2,-0.3 -5,-0.1 -390,-0.2 -26,-0.0 -0.978 33.2-111.6-123.6 132.3 71.7 -9.7 7.3 820 393 B P - 0 0 35 0, 0.0 2,-0.6 0, 0.0 -364,-0.1 -0.311 21.5-143.3 -59.8 149.9 68.7 -7.4 7.4 821 394 B E - 0 0 132 -366,-0.4 2,-0.4 2,-0.0 -364,-0.1 -0.945 15.5-151.0-122.1 103.9 65.5 -8.4 5.6 822 395 B I + 0 0 36 -2,-0.6 -23,-0.4 -25,-0.1 2,-0.3 -0.702 17.4 178.9 -94.0 131.8 63.8 -5.4 4.0 823 396 B T - 0 0 85 -2,-0.4 -330,-1.6 -25,-0.1 -329,-0.2 -0.924 33.2 -87.0-139.0 141.5 60.1 -5.6 3.6 824 397 B R - 0 0 37 -25,-0.5 -330,-0.3 -2,-0.3 -331,-0.1 -0.093 42.1 -98.0 -70.5 153.4 57.8 -3.0 2.2 825 398 B A - 0 0 0 -337,-0.2 2,-0.2 -333,-0.1 -333,-0.2 -0.192 46.6-104.2 -58.4 149.9 56.0 -0.2 4.0 826 399 B P - 0 0 1 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.554 22.2-118.4 -85.2 144.9 52.4 -0.7 5.1 827 400 B L > - 0 0 60 -2,-0.2 3,-2.2 1,-0.2 4,-0.3 -0.376 57.0 -75.7 -64.6 151.0 49.3 0.7 3.6 828 401 B L T 3 S- 0 0 48 1,-0.3 -1,-0.2 2,-0.1 -330,-0.1 -0.344 117.2 -4.6 -54.8 119.4 47.4 2.9 6.0 829 402 B G T > S+ 0 0 17 -2,-0.1 3,-0.9 -3,-0.1 4,-0.3 0.641 88.8 140.4 79.0 15.4 45.6 0.6 8.4 830 403 B E T < S+ 0 0 73 -3,-2.2 4,-0.2 1,-0.3 -333,-0.1 0.794 77.0 32.1 -63.6 -31.0 46.8 -2.5 6.7 831 404 B H T 3> S+ 0 0 31 -335,-2.0 4,-2.1 -4,-0.3 5,-0.3 0.310 82.6 111.2-114.6 4.6 47.4 -4.3 9.9 832 405 B T H <> S+ 0 0 3 -3,-0.9 4,-2.1 -336,-0.4 3,-0.5 0.926 85.4 39.9 -43.0 -67.1 44.8 -2.9 12.3 833 406 B D H >> S+ 0 0 73 -4,-0.3 4,-2.7 1,-0.2 3,-0.6 0.953 113.4 54.9 -49.0 -59.9 42.7 -6.0 12.7 834 407 B E H 3> S+ 0 0 86 1,-0.3 4,-0.9 2,-0.2 -1,-0.2 0.819 112.6 44.8 -40.6 -41.8 45.7 -8.4 12.8 835 408 B V H 3X S+ 0 0 5 -4,-2.1 4,-0.8 -3,-0.5 -1,-0.3 0.760 108.9 53.5 -83.3 -34.0 47.1 -6.3 15.7 836 409 B L H <<>S+ 0 0 0 -4,-2.1 5,-1.8 -3,-0.6 3,-0.4 0.889 108.7 52.2 -63.1 -37.4 43.8 -6.1 17.5 837 410 B K H ><5S+ 0 0 133 -4,-2.7 3,-0.9 1,-0.2 -2,-0.2 0.749 105.1 54.0 -73.4 -27.5 43.7 -10.0 17.3 838 411 B E H 3<5S+ 0 0 102 -4,-0.9 -1,-0.2 -5,-0.3 -2,-0.2 0.687 100.1 63.3 -74.3 -22.6 47.2 -10.2 18.8 839 412 B L T 3<5S- 0 0 15 -4,-0.8 -1,-0.2 -3,-0.4 -2,-0.2 0.104 124.5-106.1 -82.6 13.5 45.8 -8.0 21.7 840 413 B G T < 5S+ 0 0 70 -3,-0.9 -3,-0.2 1,-0.2 -2,-0.1 0.549 70.2 152.7 75.7 9.2 43.4 -11.0 22.5 841 414 B L < - 0 0 37 -5,-1.8 2,-0.3 1,-0.1 -1,-0.2 -0.251 42.0-120.4 -78.2 165.1 40.4 -9.2 21.0 842 415 B D > - 0 0 92 1,-0.1 4,-2.1 -2,-0.0 3,-0.3 -0.737 21.6-117.1-108.7 145.8 37.3 -10.7 19.5 843 416 B D H > S+ 0 0 120 -2,-0.3 4,-1.2 1,-0.2 -1,-0.1 0.566 114.5 53.9 -66.2 -12.5 36.1 -10.2 15.9 844 417 B A H > S+ 0 0 63 2,-0.2 4,-1.6 3,-0.1 -1,-0.2 0.877 108.0 48.1 -82.2 -50.1 32.9 -8.6 17.1 845 418 B K H > S+ 0 0 108 -3,-0.3 4,-1.9 2,-0.2 -2,-0.2 0.922 111.7 53.2 -48.5 -48.2 34.7 -6.0 19.3 846 419 B I H X S+ 0 0 8 -4,-2.1 4,-1.9 1,-0.2 3,-0.4 0.936 109.5 45.2 -57.4 -53.8 37.0 -5.3 16.2 847 420 B K H X S+ 0 0 162 -4,-1.2 4,-1.0 1,-0.2 -1,-0.2 0.734 110.8 56.8 -68.2 -22.1 34.1 -4.6 13.9 848 421 B E H X S+ 0 0 93 -4,-1.6 4,-2.7 2,-0.2 -1,-0.2 0.876 105.6 49.7 -69.8 -40.3 32.5 -2.5 16.6 849 422 B L H <>S+ 0 0 11 -4,-1.9 5,-2.1 -3,-0.4 6,-0.8 0.901 107.7 52.6 -68.7 -42.5 35.6 -0.3 16.8 850 423 B H H ><5S+ 0 0 74 -4,-1.9 3,-0.6 1,-0.2 -1,-0.2 0.867 115.2 43.6 -56.0 -38.0 35.7 0.3 13.0 851 424 B A H 3<5S+ 0 0 77 -4,-1.0 -2,-0.2 1,-0.2 -1,-0.2 0.837 107.8 56.1 -79.3 -39.7 32.1 1.4 13.3 852 425 B K T 3<5S- 0 0 96 -4,-2.7 -1,-0.2 -5,-0.1 -2,-0.2 0.287 113.0-123.4 -73.8 6.1 32.7 3.5 16.4 853 426 B Q T < 5S+ 0 0 117 -3,-0.6 -3,-0.2 1,-0.1 -2,-0.1 0.773 81.7 114.6 59.7 33.4 35.3 5.3 14.3 854 427 B V < 0 0 0 -5,-2.1 -354,-2.2 -355,-0.1 -4,-0.2 0.576 360.0 360.0-103.4 -15.2 38.2 4.6 16.7 855 428 B V 0 0 8 -6,-0.8 -356,-0.2 -356,-0.2 -2,-0.1 -0.750 360.0 360.0-140.3 360.0 40.2 2.3 14.4