==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 17-JAN-99 1B6R . COMPND 2 MOLECULE: PROTEIN (N5-CARBOXYAMINOIMIDAZOLE RIBONUCLEOTIDE . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR J.B.THODEN,T.J.KAPPOCK,J.STUBBE,H.M.HOLDEN . 349 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15791.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 249 71.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 4.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 71 20.3 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 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 26 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 48 13.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 78 22.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.1 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 1 0 2 0 1 2 1 2 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 0 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 0 PARALLEL BRIDGES PER LADDER . 0 0 3 1 3 1 2 0 1 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 2 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 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 M 0 0 178 0, 0.0 2,-0.2 0, 0.0 24,-0.2 0.000 360.0 360.0 360.0 112.4 27.7 -11.7 49.8 2 2 A K E -a 25 0A 101 22,-0.8 24,-2.5 42,-0.0 2,-0.4 -0.476 360.0-159.3 -77.6 148.5 26.5 -9.0 47.4 3 3 A Q E -a 26 0A 40 22,-0.2 42,-2.5 -2,-0.2 2,-0.4 -0.995 13.2-177.8-138.1 144.9 28.5 -5.9 47.4 4 4 A V E -ab 27 45A 0 22,-3.0 24,-2.9 -2,-0.4 2,-0.5 -0.993 14.1-150.9-140.5 140.3 28.0 -2.3 46.2 5 5 A C E -ab 28 46A 7 40,-3.2 42,-2.7 -2,-0.4 2,-0.7 -0.932 13.5-151.7-110.6 136.5 30.1 0.8 46.1 6 6 A V E -ab 29 47A 0 22,-2.0 24,-3.2 -2,-0.5 2,-0.8 -0.896 9.3-141.9-110.3 111.2 28.4 4.1 46.4 7 7 A L E S+ab 30 48A 2 40,-3.7 42,-2.5 -2,-0.7 43,-0.6 -0.556 76.5 47.7 -71.9 113.4 30.0 7.0 44.7 8 8 A G S S- 0 0 3 22,-3.0 22,-0.4 -2,-0.8 23,-0.2 -0.024 71.4-133.6 123.6 131.7 29.4 9.8 47.2 9 9 A N + 0 0 112 20,-0.2 22,-0.1 -2,-0.1 -1,-0.1 -0.045 62.7 108.8-105.5 34.2 29.9 10.0 50.9 10 10 A G S > S- 0 0 22 20,-0.1 4,-2.3 1,-0.0 3,-0.4 -0.187 85.7 -76.3-100.1-167.7 26.7 11.6 52.2 11 11 A Q H > S+ 0 0 35 1,-0.3 4,-2.7 2,-0.2 5,-0.1 0.745 126.7 58.5 -60.4 -25.8 23.6 10.6 54.1 12 12 A L H > S+ 0 0 17 2,-0.2 4,-1.6 1,-0.2 -1,-0.3 0.918 108.6 45.4 -71.5 -39.5 22.2 9.0 51.1 13 13 A G H > S+ 0 0 0 -3,-0.4 4,-2.0 2,-0.2 -2,-0.2 0.858 113.9 49.7 -67.5 -37.6 25.2 6.7 51.0 14 14 A R H X S+ 0 0 66 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.936 111.4 48.4 -67.0 -44.6 25.0 6.2 54.7 15 15 A M H X S+ 0 0 3 -4,-2.7 4,-1.3 2,-0.2 -2,-0.2 0.795 109.4 52.5 -67.1 -29.2 21.3 5.3 54.5 16 16 A L H X S+ 0 0 3 -4,-1.6 4,-1.8 2,-0.2 -1,-0.2 0.909 110.2 48.8 -71.4 -41.8 21.8 2.9 51.7 17 17 A R H X S+ 0 0 91 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.874 109.2 53.4 -63.8 -39.0 24.5 1.1 53.7 18 18 A Q H < S+ 0 0 72 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.863 112.4 43.5 -65.3 -36.5 22.2 1.0 56.7 19 19 A A H < S+ 0 0 18 -4,-1.3 4,-0.3 -5,-0.2 -1,-0.2 0.800 110.4 57.9 -78.3 -28.8 19.5 -0.6 54.6 20 20 A G H ><>S+ 0 0 0 -4,-1.8 5,-1.7 1,-0.2 3,-1.7 0.921 92.2 67.6 -65.7 -49.7 21.9 -3.0 53.0 21 21 A E G ><5S+ 0 0 146 -4,-1.9 3,-1.9 1,-0.3 -1,-0.2 0.789 95.1 50.3 -42.3 -55.4 23.3 -4.7 56.1 22 22 A P G 3 5S+ 0 0 111 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.649 109.9 55.4 -66.1 -12.0 20.3 -6.6 57.3 23 23 A L G < 5S- 0 0 75 -3,-1.7 -2,-0.2 -4,-0.3 3,-0.1 0.422 118.9-110.4 -96.8 -2.7 19.9 -8.0 53.9 24 24 A G T < 5S+ 0 0 34 -3,-1.9 -22,-0.8 -4,-0.3 2,-0.5 0.757 77.7 131.1 77.1 23.6 23.4 -9.3 53.7 25 25 A I E < -a 2 0A 3 -5,-1.7 2,-0.5 -24,-0.2 -1,-0.3 -0.960 49.5-145.1-112.4 117.9 24.4 -6.7 51.2 26 26 A A E -a 3 0A 18 -24,-2.5 -22,-3.0 -2,-0.5 2,-0.5 -0.740 14.3-166.7 -88.2 127.2 27.6 -4.7 51.9 27 27 A V E -a 4 0A 8 -2,-0.5 -22,-0.2 -24,-0.2 -6,-0.1 -0.965 6.0-164.2-118.6 128.6 27.6 -1.1 50.8 28 28 A W E -a 5 0A 110 -24,-2.9 -22,-2.0 -2,-0.5 2,-0.2 -0.862 7.8-156.4-117.9 92.9 30.7 1.0 50.6 29 29 A P E -a 6 0A 31 0, 0.0 2,-0.4 0, 0.0 -22,-0.2 -0.476 19.2-163.0 -66.7 131.1 30.1 4.7 50.4 30 30 A V E -a 7 0A 10 -24,-3.2 -22,-3.0 -22,-0.4 2,-0.1 -0.944 13.2-137.9-124.8 142.0 33.1 6.3 48.8 31 31 A G - 0 0 9 -2,-0.4 27,-0.1 -23,-0.2 -25,-0.0 -0.490 25.6-117.8 -87.2 167.8 34.3 9.8 48.7 32 32 A L S S+ 0 0 49 1,-0.2 26,-0.5 -2,-0.1 27,-0.3 0.866 111.3 58.2 -71.0 -37.9 35.7 11.4 45.5 33 33 A D S S+ 0 0 142 24,-0.1 24,-0.2 23,-0.1 -1,-0.2 0.886 86.6 112.0 -55.0 -46.4 39.1 12.0 47.0 34 34 A A - 0 0 16 1,-0.1 24,-0.5 23,-0.1 23,-0.1 0.310 69.8-111.5 -33.5 150.1 39.6 8.3 47.8 35 35 A E >> - 0 0 126 22,-0.1 3,-2.3 1,-0.1 4,-0.7 -0.744 20.4-123.5 -95.4 136.7 42.1 5.9 46.3 36 36 A P T 34 S+ 0 0 36 0, 0.0 5,-0.2 0, 0.0 -1,-0.1 0.472 109.7 62.3 -55.9 -4.6 40.9 3.1 44.0 37 37 A A T 34 S+ 0 0 88 1,-0.1 -3,-0.0 3,-0.1 21,-0.0 0.739 92.1 62.3 -94.2 -25.8 42.7 0.7 46.3 38 38 A A T <4 S+ 0 0 65 -3,-2.3 -1,-0.1 2,-0.0 -4,-0.0 0.772 99.2 62.1 -70.6 -29.3 40.6 1.4 49.4 39 39 A V S >< S- 0 0 12 -4,-0.7 2,-1.8 1,-0.1 3,-0.5 -0.823 80.5-126.9-110.2 144.2 37.3 0.3 47.8 40 40 A P G > + 0 0 20 0, 0.0 3,-1.6 0, 0.0 4,-0.1 -0.109 58.6 140.5 -72.8 40.0 36.2 -3.2 46.6 41 41 A F G > + 0 0 14 -2,-1.8 3,-1.9 1,-0.3 -36,-0.1 0.930 62.7 65.4 -48.5 -48.7 35.3 -1.6 43.2 42 42 A Q G < S+ 0 0 142 -3,-0.5 -1,-0.3 1,-0.3 -3,-0.0 0.786 111.7 30.9 -48.2 -34.2 36.7 -4.6 41.5 43 43 A Q G < S+ 0 0 116 -3,-1.6 2,-0.3 2,-0.1 -1,-0.3 0.125 109.1 69.4-122.7 33.9 34.1 -6.9 43.0 44 44 A S S < S- 0 0 11 -3,-1.9 2,-0.3 -4,-0.1 -40,-0.3 -0.867 78.0-101.2-139.2 171.2 30.9 -4.9 43.4 45 45 A V E -b 4 0A 31 -42,-2.5 -40,-3.2 -2,-0.3 2,-0.4 -0.673 42.2-138.5 -85.8 145.2 28.1 -3.1 41.7 46 46 A I E +bc 5 68A 2 21,-3.1 23,-2.2 -2,-0.3 2,-0.2 -0.929 29.4 159.8-116.1 137.5 28.7 0.6 41.5 47 47 A T E -b 6 0A 3 -42,-2.7 -40,-3.7 -2,-0.4 2,-0.3 -0.789 23.6-131.3-138.5-179.8 26.1 3.3 42.1 48 48 A A E -b 7 0A 5 -42,-0.3 -40,-0.2 -2,-0.2 -42,-0.1 -0.999 20.1-166.1-147.8 143.4 26.1 7.0 43.0 49 49 A E S S+ 0 0 26 -42,-2.5 2,-0.3 -2,-0.3 -41,-0.1 0.286 83.7 69.1-100.5 1.9 24.4 9.4 45.3 50 50 A I - 0 0 41 -43,-0.6 3,-0.1 1,-0.1 -43,-0.1 -0.913 69.5-147.4-122.3 150.8 25.7 12.3 43.2 51 51 A E S S+ 0 0 43 -2,-0.3 2,-0.3 1,-0.3 27,-0.2 0.718 82.2 15.1 -89.7 -27.3 24.7 13.3 39.7 52 52 A R - 0 0 155 26,-0.1 -1,-0.3 23,-0.0 22,-0.0 -0.992 65.3-175.2-150.4 144.9 28.0 14.7 38.5 53 53 A W - 0 0 68 -2,-0.3 3,-0.0 -3,-0.1 2,-0.0 -0.957 25.7-108.6-140.4 158.9 31.6 14.4 39.7 54 54 A P - 0 0 81 0, 0.0 2,-0.5 0, 0.0 5,-0.1 -0.224 48.7 -87.3 -77.5 171.1 35.0 15.8 38.9 55 55 A E + 0 0 147 4,-0.1 2,-0.3 3,-0.1 3,-0.0 -0.717 62.4 148.4 -85.6 129.2 37.8 13.7 37.4 56 56 A T > - 0 0 28 -2,-0.5 4,-1.8 1,-0.1 5,-0.2 -0.898 63.1 -86.5-148.2 176.1 39.9 11.8 39.9 57 57 A A H > S+ 0 0 39 -2,-0.3 4,-1.4 -24,-0.2 -22,-0.1 0.916 128.4 40.0 -50.3 -47.9 41.9 8.6 40.5 58 58 A L H >> S+ 0 0 2 -24,-0.5 4,-1.7 -26,-0.5 3,-1.2 0.998 114.1 46.5 -62.4 -80.2 38.7 7.0 41.5 59 59 A T H 3> S+ 0 0 7 -27,-0.3 4,-1.2 1,-0.3 -1,-0.2 0.612 107.4 64.0 -41.8 -21.8 36.1 8.3 39.1 60 60 A R H >< S+ 0 0 112 -4,-1.8 3,-0.6 2,-0.2 4,-0.3 0.969 106.8 38.9 -69.1 -56.1 38.7 7.6 36.3 61 61 A Q H XX S+ 0 0 86 -4,-1.4 3,-1.2 -3,-1.2 4,-0.5 0.824 110.7 63.2 -61.2 -32.0 38.6 3.9 36.9 62 62 A L H >< S+ 0 0 9 -4,-1.7 3,-0.9 1,-0.3 -1,-0.2 0.831 92.2 60.5 -65.2 -34.2 34.9 4.1 37.5 63 63 A A T << S+ 0 0 68 -4,-1.2 -1,-0.3 -3,-0.6 -2,-0.2 0.616 107.4 50.0 -69.5 -7.1 34.1 5.2 34.0 64 64 A R T <4 S+ 0 0 169 -3,-1.2 -1,-0.3 -4,-0.3 -2,-0.2 0.558 83.3 120.2-100.7 -19.7 35.7 1.9 33.1 65 65 A H X< - 0 0 20 -3,-0.9 3,-0.7 -4,-0.5 -3,-0.0 -0.283 56.8-149.9 -55.5 134.2 33.7 -0.2 35.4 66 66 A P T 3 S+ 0 0 123 0, 0.0 -1,-0.2 0, 0.0 -4,-0.0 0.512 95.7 44.6 -77.3 -10.8 31.6 -2.8 33.7 67 67 A A T 3 + 0 0 34 -23,-0.1 -21,-3.1 -5,-0.1 2,-1.0 -0.192 67.2 130.8-134.6 44.9 29.0 -2.5 36.5 68 68 A F B X -c 46 0A 13 -3,-0.7 3,-1.5 -23,-0.2 2,-0.3 -0.883 58.9-132.6 -96.9 98.8 28.5 1.1 37.1 69 69 A V T 3 S- 0 0 18 -23,-2.2 -21,-0.2 -2,-1.0 -2,-0.1 -0.437 77.5 -6.4 -65.9 123.9 24.7 1.2 37.0 70 70 A N T >> S+ 0 0 19 -2,-0.3 3,-2.1 143,-0.1 4,-1.1 0.631 80.9 159.2 66.9 22.1 23.1 3.9 34.8 71 71 A R T <4 S+ 0 0 81 -3,-1.5 3,-0.3 1,-0.3 -2,-0.1 0.816 70.3 45.2 -37.0 -50.2 26.5 5.4 34.2 72 72 A D T 3> S+ 0 0 114 1,-0.2 4,-0.6 2,-0.1 -1,-0.3 0.599 100.8 66.9 -76.0 -17.3 25.4 7.2 31.1 73 73 A V H X> S+ 0 0 10 -3,-2.1 4,-1.6 1,-0.2 3,-0.9 0.900 85.5 70.4 -71.8 -42.3 22.1 8.6 32.4 74 74 A F H 3X S+ 0 0 2 -4,-1.1 4,-3.6 -3,-0.3 3,-0.3 0.848 96.4 49.8 -40.3 -55.9 23.7 10.9 35.0 75 75 A P H 3> S+ 0 0 72 0, 0.0 4,-2.0 0, 0.0 -1,-0.3 0.842 106.7 55.6 -56.8 -38.9 25.0 13.4 32.5 76 76 A I H << S+ 0 0 58 -3,-0.9 -2,-0.2 -4,-0.6 10,-0.2 0.862 117.9 35.4 -63.1 -36.9 21.7 13.6 30.7 77 77 A I H < S+ 0 0 2 -4,-1.6 -1,-0.2 -3,-0.3 -3,-0.2 0.803 108.2 66.2 -85.8 -33.1 20.1 14.6 33.9 78 78 A A H < S+ 0 0 20 -4,-3.6 2,-0.6 -5,-0.3 -2,-0.2 0.878 96.5 64.5 -56.2 -38.6 23.1 16.5 35.1 79 79 A D S X S- 0 0 30 -4,-2.0 4,-2.6 -5,-0.2 5,-0.2 -0.776 72.5-153.0 -94.4 118.4 22.5 19.0 32.3 80 80 A R H > S+ 0 0 21 42,-2.1 4,-3.1 -2,-0.6 5,-0.3 0.838 95.9 57.9 -54.3 -38.0 19.2 21.0 32.5 81 81 A L H > S+ 0 0 23 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.978 111.5 38.4 -56.4 -60.8 19.3 21.4 28.7 82 82 A T H > S+ 0 0 39 2,-0.2 4,-1.4 1,-0.2 -2,-0.2 0.792 115.8 54.2 -62.2 -33.3 19.4 17.7 28.0 83 83 A Q H >X S+ 0 0 3 -4,-2.6 4,-1.5 2,-0.2 3,-0.9 0.987 110.7 44.5 -65.1 -54.0 17.0 17.0 30.8 84 84 A K H 3X S+ 0 0 0 -4,-3.1 4,-1.8 1,-0.3 -2,-0.2 0.896 111.4 54.7 -55.4 -41.6 14.5 19.4 29.4 85 85 A Q H 3X S+ 0 0 100 -4,-2.6 4,-2.6 -5,-0.3 -1,-0.3 0.810 102.3 58.6 -63.8 -28.9 15.0 18.1 26.0 86 86 A L H S+ 0 0 0 -4,-1.5 5,-2.6 -3,-0.2 4,-0.6 0.923 111.5 52.1 -65.4 -41.1 10.9 15.6 28.4 88 88 A D H ><5S+ 0 0 80 -4,-1.8 3,-1.3 1,-0.2 -2,-0.2 0.941 106.1 52.8 -60.7 -46.9 10.4 17.2 25.1 89 89 A K H 3<5S+ 0 0 132 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.864 113.0 43.9 -57.9 -36.5 11.3 14.0 23.2 90 90 A L H 3<5S- 0 0 39 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.451 111.4-120.2 -90.0 -0.6 8.8 12.0 25.2 91 91 A H T <<5 + 0 0 169 -3,-1.3 -3,-0.2 -4,-0.6 -2,-0.1 0.884 56.5 158.1 64.4 40.9 6.1 14.6 24.8 92 92 A L < - 0 0 19 -5,-2.6 -1,-0.2 -6,-0.1 2,-0.1 -0.746 47.6-102.6 -98.5 143.0 5.8 15.1 28.6 93 93 A P + 0 0 62 0, 0.0 138,-2.9 0, 0.0 2,-0.3 -0.361 56.5 146.2 -64.8 135.7 4.3 18.3 30.0 94 94 A T B -d 231 0B 19 136,-0.3 138,-0.1 -2,-0.1 3,-0.1 -0.934 55.7 -68.5-158.5 167.6 6.9 20.6 31.4 95 95 A A - 0 0 6 136,-0.6 55,-0.0 -2,-0.3 56,-0.0 -0.524 58.9-102.3 -71.9 133.4 7.2 24.3 31.7 96 96 A P + 0 0 60 0, 0.0 53,-3.9 0, 0.0 2,-0.3 -0.264 60.6 151.2 -50.6 132.7 7.8 26.1 28.4 97 97 A W E -M 148 0C 43 51,-0.3 2,-0.3 -3,-0.1 51,-0.2 -0.878 28.2-169.0-152.5-176.9 11.4 26.9 28.0 98 98 A Q E -M 147 0C 33 49,-1.8 49,-2.8 -2,-0.3 2,-0.1 -0.911 37.5 -94.0-175.2 150.3 14.3 27.6 25.7 99 99 A L E -M 146 0C 50 -2,-0.3 2,-0.8 47,-0.2 47,-0.3 -0.481 43.7-109.9 -73.5 151.6 18.0 28.0 26.0 100 100 A L + 0 0 0 45,-3.3 43,-1.9 41,-0.2 45,-0.5 -0.779 52.5 153.4 -85.9 110.7 19.2 31.6 26.2 101 101 A A - 0 0 48 -2,-0.8 2,-0.3 1,-0.3 -1,-0.2 0.830 55.8 -7.9-102.1 -54.6 21.0 32.4 23.0 102 102 A E >> - 0 0 119 1,-0.1 3,-1.7 41,-0.0 4,-0.7 -0.996 57.2-111.0-154.0 156.6 20.9 36.1 22.3 103 103 A R T 34 S+ 0 0 142 -2,-0.3 -1,-0.1 1,-0.3 3,-0.0 0.709 108.6 73.2 -55.9 -23.6 19.5 39.4 23.4 104 104 A S T 34 S+ 0 0 89 1,-0.2 4,-0.3 2,-0.1 -1,-0.3 0.866 94.9 52.8 -59.7 -36.3 17.4 39.5 20.3 105 105 A E T X> S+ 0 0 41 -3,-1.7 3,-2.6 1,-0.2 4,-1.3 0.874 83.7 88.5 -63.8 -46.5 15.2 36.8 21.7 106 106 A W H 3X S+ 0 0 12 -4,-0.7 4,-1.4 1,-0.3 -1,-0.2 0.664 83.7 56.1 -22.4 -50.9 14.5 38.7 25.0 107 107 A P H 34 S+ 0 0 94 0, 0.0 -1,-0.3 0, 0.0 4,-0.2 0.860 115.2 34.6 -60.0 -41.6 11.5 40.5 23.5 108 108 A A H <> S+ 0 0 44 -3,-2.6 4,-1.6 -4,-0.3 5,-0.2 0.524 106.0 69.5 -92.6 -10.7 9.6 37.4 22.5 109 109 A V H X S+ 0 0 1 -4,-1.3 4,-1.4 1,-0.2 5,-0.2 0.865 102.7 46.5 -72.1 -35.2 10.8 35.3 25.4 110 110 A F H X S+ 0 0 32 -4,-1.4 4,-0.5 -5,-0.2 -1,-0.2 0.642 107.4 61.8 -77.9 -17.7 8.6 37.6 27.5 111 111 A D H 4 S+ 0 0 140 -4,-0.2 -2,-0.2 2,-0.1 -1,-0.2 0.930 117.4 22.1 -73.7 -52.6 5.8 37.2 25.0 112 112 A R H < S+ 0 0 150 -4,-1.6 -2,-0.2 2,-0.1 -3,-0.1 0.680 132.1 42.6 -90.9 -21.4 5.3 33.4 25.2 113 113 A L H < S- 0 0 7 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337 A P T 3 S+ 0 0 103 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.715 109.6 60.2 -68.0 -27.1 7.5 23.9 70.6 333 338 A L T 3 S+ 0 0 36 -3,-0.5 -2,-0.2 -4,-0.5 -44,-0.1 0.432 103.8 64.7 -81.4 -2.6 10.3 21.4 70.6 334 339 A L S < S- 0 0 10 -3,-1.3 5,-0.1 -4,-0.4 -51,-0.0 -0.897 96.9 -93.1-120.2 151.1 11.5 22.8 67.3 335 340 A P > - 0 0 42 0, 0.0 3,-2.4 0, 0.0 4,-0.4 -0.246 44.3-106.7 -60.2 151.6 12.8 26.1 66.3 336 341 A P G >> S+ 0 0 108 0, 0.0 3,-1.4 0, 0.0 4,-0.6 0.751 114.9 69.3 -50.3 -35.0 10.2 28.6 65.0 337 342 A E G 34 S+ 0 0 90 1,-0.3 4,-0.4 2,-0.2 3,-0.1 0.728 96.0 57.5 -61.0 -19.8 11.2 28.3 61.4 338 343 A Y G <> S+ 0 0 9 -3,-2.4 4,-2.1 1,-0.2 -1,-0.3 0.683 84.8 82.5 -82.9 -21.8 9.8 24.8 61.6 339 344 A A H <> S+ 0 0 29 -3,-1.4 4,-2.5 -4,-0.4 5,-0.3 0.908 87.0 52.4 -49.9 -51.8 6.4 25.9 62.6 340 345 A S H X S+ 0 0 62 -4,-0.6 4,-2.1 1,-0.2 -1,-0.2 0.927 109.8 48.5 -51.2 -51.5 5.1 26.7 59.2 341 346 A G H > S+ 0 0 2 -4,-0.4 4,-2.8 1,-0.2 -1,-0.2 0.911 111.4 51.0 -57.1 -45.8 6.1 23.3 57.7 342 347 A V H X S+ 0 0 2 -4,-2.1 4,-3.1 1,-0.2 -1,-0.2 0.888 110.0 47.0 -61.7 -43.5 4.4 21.5 60.6 343 348 A I H X S+ 0 0 85 -4,-2.5 4,-3.3 2,-0.2 -1,-0.2 0.873 111.1 54.3 -66.4 -37.2 1.1 23.3 60.3 344 349 A W H X S+ 0 0 46 -4,-2.1 4,-0.5 -5,-0.3 -2,-0.2 0.959 110.5 44.2 -58.2 -53.3 1.2 22.7 56.7 345 350 A A H >< S+ 0 0 0 -4,-2.8 3,-2.0 1,-0.2 4,-0.4 0.953 115.0 49.8 -56.5 -47.9 1.7 19.0 57.2 346 351 A Q H >X S+ 0 0 25 -4,-3.1 3,-2.0 1,-0.3 4,-1.2 0.890 99.0 66.6 -55.7 -43.9 -1.0 19.1 59.8 347 352 A S H 3< S+ 0 0 72 -4,-3.3 -1,-0.3 1,-0.3 -2,-0.2 0.648 93.0 64.5 -53.2 -17.2 -3.2 21.0 57.4 348 353 A K T << S+ 0 0 78 -3,-2.0 -1,-0.3 -4,-0.5 -2,-0.2 0.735 100.9 45.3 -83.8 -22.6 -3.3 17.9 55.3 349 354 A F T <4 0 0 33 -3,-2.0 -2,-0.2 -4,-0.4 -1,-0.2 0.758 360.0 360.0 -90.8 -27.3 -5.1 15.7 57.8 350 355 A G < 0 0 129 -4,-1.2 0, 0.0 -26,-0.0 0, 0.0 -0.264 360.0 360.0 -55.1 360.0 -7.7 18.2 58.7