==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 01-NOV-11 3UFG . COMPND 2 MOLECULE: GLYCYL-TRNA SYNTHETASE ALPHA SUBUNIT; . SOURCE 2 ORGANISM_SCIENTIFIC: CAMPYLOBACTER JEJUNI; . AUTHOR K.TAN,M.ZHOU,S.PETERSON,W.F.ANDERSON,A.JOACHIMIAK,CENTER FOR . 579 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23046.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 446 77.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 1.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 105 18.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 6 1.0 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 . 38 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 53 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 209 36.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 3.5 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 0 2 0 0 2 0 0 2 0 0 0 2 2 2 0 0 0 0 0 2 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 3 3 2 2 2 2 0 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 0 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 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 -7 A N 0 0 176 0, 0.0 3,-0.1 0, 0.0 177,-0.0 0.000 360.0 360.0 360.0 25.1 54.6 16.3 3.1 2 -6 A L + 0 0 91 1,-0.1 2,-0.4 111,-0.0 111,-0.0 0.616 360.0 59.1-108.0 -25.3 51.8 13.8 2.8 3 -5 A Y - 0 0 31 172,-0.1 2,-0.4 5,-0.0 -1,-0.1 -0.861 60.1-176.1-112.1 140.0 50.1 15.5 -0.1 4 -4 A F >> - 0 0 106 -2,-0.4 4,-0.8 172,-0.2 3,-0.6 -1.000 27.2-144.3-132.5 133.7 51.5 16.2 -3.6 5 -3 A Q T 34 S+ 0 0 54 172,-0.6 2,-1.0 -2,-0.4 3,-0.4 0.831 101.0 69.9 -60.8 -32.8 49.7 18.1 -6.4 6 -2 A S T 34 S+ 0 0 117 1,-0.2 -1,-0.3 171,-0.1 3,-0.1 -0.004 118.0 21.6 -71.7 33.7 51.5 15.7 -8.8 7 -1 A N T <4 S+ 0 0 134 -2,-1.0 -1,-0.2 -3,-0.6 2,-0.2 0.202 99.3 116.8 179.7 -15.2 49.1 13.0 -7.4 8 0 A A S < S- 0 0 21 -4,-0.8 2,-0.1 -3,-0.4 169,-0.1 -0.553 72.2-106.4 -79.1 139.9 46.3 15.1 -6.0 9 1 A X - 0 0 57 98,-0.3 177,-0.1 -2,-0.2 -1,-0.1 -0.426 43.2-116.2 -59.1 131.7 42.8 14.9 -7.3 10 2 A T > - 0 0 10 -2,-0.1 4,-3.0 1,-0.1 177,-0.2 -0.268 24.4-103.2 -73.9 163.8 42.0 18.0 -9.4 11 3 A F H > S+ 0 0 0 175,-2.3 4,-2.2 1,-0.2 176,-0.2 0.888 124.0 47.2 -54.8 -46.5 39.3 20.5 -8.4 12 4 A S H > S+ 0 0 4 175,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.944 111.9 49.4 -56.7 -56.4 37.0 19.1 -11.1 13 5 A Q H > S+ 0 0 85 174,-0.3 4,-2.7 2,-0.2 -2,-0.2 0.895 109.4 53.0 -50.0 -47.4 37.6 15.5 -10.0 14 6 A X H X S+ 0 0 0 -4,-3.0 4,-2.5 1,-0.2 5,-0.2 0.950 107.2 51.7 -54.4 -54.4 37.0 16.4 -6.4 15 7 A I H X S+ 0 0 4 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.905 112.0 45.2 -49.4 -50.3 33.6 17.9 -7.2 16 8 A L H X S+ 0 0 10 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.911 110.4 56.0 -61.3 -43.9 32.5 14.8 -9.1 17 9 A N H X S+ 0 0 34 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.906 108.3 47.1 -52.4 -47.4 33.8 12.6 -6.3 18 10 A L H X S+ 0 0 0 -4,-2.5 4,-2.9 2,-0.2 5,-0.3 0.910 110.4 52.3 -63.1 -41.6 31.6 14.5 -3.8 19 11 A Q H X S+ 0 0 0 -4,-2.0 4,-1.4 1,-0.2 -2,-0.2 0.895 112.5 45.4 -65.7 -38.5 28.6 14.2 -6.0 20 12 A N H X S+ 0 0 68 -4,-2.6 4,-1.9 2,-0.2 -1,-0.2 0.883 113.1 51.4 -67.4 -40.1 29.0 10.5 -6.4 21 13 A Y H X S+ 0 0 13 -4,-2.4 4,-0.6 -5,-0.2 -2,-0.2 0.970 113.7 41.3 -59.7 -55.8 29.6 10.1 -2.6 22 14 A W H <>S+ 0 0 0 -4,-2.9 5,-2.5 1,-0.2 -1,-0.2 0.775 110.7 57.8 -70.9 -23.3 26.6 12.0 -1.5 23 15 A Q H ><5S+ 0 0 12 -4,-1.4 3,-1.8 -5,-0.3 -1,-0.2 0.917 105.1 50.9 -68.3 -43.9 24.4 10.3 -4.2 24 16 A E H 3<5S+ 0 0 118 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.611 104.1 59.5 -66.9 -13.9 25.4 7.0 -2.8 25 17 A Q T 3<5S- 0 0 67 -4,-0.6 -1,-0.3 -3,-0.2 -2,-0.2 0.390 132.0 -92.7 -92.6 2.0 24.3 8.3 0.6 26 18 A G T < 5S+ 0 0 20 -3,-1.8 2,-0.2 1,-0.3 -3,-0.2 0.512 77.4 143.1 103.8 7.7 20.9 8.9 -0.8 27 19 A C < - 0 0 0 -5,-2.5 2,-0.8 -6,-0.1 -1,-0.3 -0.555 50.6-129.1 -80.4 144.4 21.0 12.5 -2.0 28 20 A A E -a 58 0A 0 29,-3.0 31,-0.9 -2,-0.2 2,-0.1 -0.845 32.4-127.3 -87.3 111.2 19.3 13.6 -5.2 29 21 A I E -a 59 0A 3 -2,-0.8 2,-0.2 29,-0.2 31,-0.2 -0.396 32.7-173.2 -65.7 132.2 22.0 15.5 -7.1 30 22 A X - 0 0 10 29,-2.8 31,-0.4 -2,-0.1 3,-0.1 -0.694 18.2-119.4-118.7 170.6 20.9 19.0 -8.1 31 23 A Q - 0 0 8 -2,-0.2 31,-0.0 1,-0.2 287,-0.0 -0.843 38.8 -86.1-111.2 149.7 22.5 21.7 -10.2 32 24 A P - 0 0 6 0, 0.0 2,-0.2 0, 0.0 -1,-0.2 0.015 50.1-108.6 -37.3 153.7 23.5 25.2 -9.3 33 25 A Y - 0 0 42 2,-0.2 4,-0.1 30,-0.1 10,-0.1 -0.530 14.6-126.7 -91.2 161.7 20.8 27.8 -9.5 34 26 A D S S+ 0 0 15 -2,-0.2 287,-0.1 287,-0.1 -1,-0.1 -0.035 84.4 84.1-103.2 30.1 20.6 30.5 -12.2 35 27 A X S S- 0 0 26 287,-0.2 2,-0.2 288,-0.0 287,-0.2 -0.992 90.0-103.5-127.6 140.4 20.4 33.4 -9.7 36 28 A P - 0 0 5 0, 0.0 2,-0.4 0, 0.0 217,-0.2 -0.442 48.5-178.3 -63.0 127.3 23.3 35.1 -8.0 37 29 A A - 0 0 11 26,-0.5 28,-2.7 -2,-0.2 3,-0.1 -0.993 38.2-143.0-137.9 138.6 23.5 33.9 -4.3 38 30 A G S S+ 0 0 12 -2,-0.4 2,-0.3 26,-0.3 -1,-0.1 0.823 90.2 1.7 -61.2 -32.3 25.6 34.5 -1.2 39 31 A A S > S- 0 0 17 24,-0.1 3,-1.6 25,-0.1 4,-0.3 -0.988 72.6-106.6-155.2 155.7 25.4 30.8 -0.3 40 32 A G G > S+ 0 0 3 -2,-0.3 3,-2.2 22,-0.3 7,-0.3 0.807 112.9 74.1 -54.1 -30.8 24.0 27.5 -1.3 41 33 A T G 3 S+ 0 0 13 1,-0.3 6,-1.1 5,-0.1 -1,-0.3 0.871 87.4 61.1 -54.2 -35.2 21.5 27.9 1.5 42 34 A F G < S+ 0 0 33 -3,-1.6 -1,-0.3 4,-0.1 -2,-0.2 0.669 78.5 111.6 -63.3 -16.8 19.8 30.5 -0.8 43 35 A H S X> S- 0 0 16 -3,-2.2 3,-2.2 -4,-0.3 4,-1.9 -0.355 75.7-132.0 -58.5 136.3 19.1 27.8 -3.4 44 36 A P H 3>>S+ 0 0 18 0, 0.0 5,-1.5 0, 0.0 4,-1.2 0.821 107.4 70.6 -60.7 -28.3 15.4 27.1 -3.6 45 37 A A H 345S+ 0 0 4 3,-0.2 -2,-0.1 2,-0.1 -3,-0.1 0.557 116.5 22.0 -61.7 -10.3 16.4 23.4 -3.3 46 38 A T H <>5S+ 0 0 0 -3,-2.2 4,-1.8 -5,-0.2 5,-0.2 0.629 121.9 48.2-117.7 -68.6 17.3 24.3 0.3 47 39 A F H <5S+ 0 0 3 -4,-1.9 4,-0.3 -6,-1.1 -2,-0.1 0.800 126.1 29.0 -49.3 -35.1 15.5 27.4 1.6 48 40 A L T ><5S+ 0 0 3 -4,-1.2 3,-2.2 -5,-0.4 -1,-0.2 0.928 116.1 52.7 -93.6 -55.3 12.2 26.1 0.4 49 41 A R T 34> - 0 0 77 14,-2.2 3,-2.2 -2,-0.6 4,-0.5 -0.766 11.0-172.8-120.0 85.7 30.0 37.7 -1.8 67 59 A P G >4 S+ 0 0 4 0, 0.0 3,-1.0 0, 0.0 -1,-0.1 0.789 84.4 54.1 -45.8 -38.3 30.7 41.1 -3.4 68 60 A T G 34 S+ 0 0 61 1,-0.2 12,-0.1 188,-0.1 189,-0.0 0.711 99.9 61.9 -73.6 -19.3 32.3 42.4 -0.1 69 61 A D G <4 S+ 0 0 37 -3,-2.2 -1,-0.2 11,-0.2 11,-0.1 0.590 77.8 118.8 -81.8 -9.4 34.7 39.5 0.1 70 62 A G << + 0 0 2 -3,-1.0 9,-0.1 -4,-0.5 136,-0.0 -0.301 36.1 178.3 -64.0 138.9 36.4 40.5 -3.1 71 63 A R > - 0 0 89 7,-0.3 3,-2.0 4,-0.1 4,-0.2 -0.034 53.9-101.4-132.5 27.3 40.1 41.3 -3.0 72 64 A Y T 3 S- 0 0 50 133,-0.5 134,-0.2 1,-0.3 133,-0.1 0.664 72.7 -67.2 66.2 18.9 40.9 42.0 -6.7 73 65 A G T 3 S+ 0 0 6 132,-0.3 -1,-0.3 5,-0.2 133,-0.1 0.629 118.3 106.4 74.9 15.0 42.5 38.6 -7.2 74 66 A E < + 0 0 163 -3,-2.0 -2,-0.1 131,-0.1 -1,-0.0 0.600 55.5 82.6-101.5 -13.6 45.3 39.6 -4.9 75 67 A N - 0 0 48 3,-0.3 -4,-0.1 -4,-0.2 -2,-0.1 -0.815 65.0-150.4 -98.9 131.7 44.4 37.5 -1.8 76 68 A P S S+ 0 0 45 0, 0.0 106,-1.0 0, 0.0 -1,-0.1 0.336 92.1 24.9 -77.3 4.5 45.4 33.8 -1.7 77 69 A N S S+ 0 0 57 1,-0.2 2,-0.5 104,-0.1 94,-0.1 0.600 104.4 69.9-139.1 -38.2 42.4 32.8 0.5 78 70 A R - 0 0 92 -7,-0.0 2,-0.4 4,-0.0 -3,-0.3 -0.835 56.2-171.1-104.5 131.1 39.4 35.1 0.2 79 71 A L - 0 0 9 -2,-0.5 -9,-0.2 -9,-0.1 3,-0.1 -0.935 29.3-143.2-122.8 141.4 37.3 35.2 -3.0 80 72 A G S S+ 0 0 10 -2,-0.4 -14,-2.2 1,-0.2 2,-0.3 0.617 101.4 18.7 -73.4 -15.1 34.5 37.5 -4.0 81 73 A A E S+B 65 0A 29 -16,-0.2 2,-0.3 -12,-0.1 -1,-0.2 -0.952 81.8 152.8-154.7 140.0 32.9 34.5 -5.6 82 74 A Y E -B 64 0A 40 -18,-2.0 -18,-3.3 -2,-0.3 2,-0.6 -0.959 40.7 -86.8-165.9 170.8 33.7 30.9 -4.9 83 75 A Y E -B 63 0A 25 -2,-0.3 86,-1.4 -20,-0.2 87,-0.5 -0.815 31.3-176.2-106.2 120.4 32.4 27.3 -4.8 84 76 A Q E -BC 62 168A 7 -22,-2.0 -22,-3.5 -2,-0.6 2,-0.5 -0.785 18.4-143.0 -99.2 148.7 30.5 25.7 -2.0 85 77 A F E -BC 61 167A 0 82,-1.1 82,-2.2 -2,-0.3 2,-0.5 -0.972 23.1-158.2-104.7 134.9 29.4 22.1 -1.9 86 78 A Q E -BC 60 166A 0 -26,-2.3 -26,-1.9 -2,-0.5 2,-0.4 -0.952 15.3-177.1-123.9 123.2 26.0 21.8 -0.3 87 79 A V E -BC 59 165A 1 78,-2.4 78,-2.1 -2,-0.5 2,-0.4 -0.957 3.9-176.0-114.3 135.9 24.4 18.8 1.3 88 80 A L E +BC 58 164A 0 -30,-2.0 -30,-1.4 -2,-0.4 2,-0.6 -0.839 2.3 179.3-137.3 97.1 20.9 19.0 2.7 89 81 A I E -BC 57 163A 19 74,-1.7 74,-4.0 -2,-0.4 -32,-0.2 -0.881 18.0-145.4-106.3 118.2 19.4 15.9 4.5 90 82 A K E S+B 56 0A 5 -34,-2.3 -34,-2.6 -2,-0.6 72,-0.2 -0.978 88.5 24.4-125.5 114.8 15.9 16.3 5.9 91 83 A P S S- 0 0 69 0, 0.0 -1,-0.3 0, 0.0 71,-0.2 0.553 103.2-120.5 -87.7 154.0 15.5 14.8 8.4 92 84 A S - 0 0 34 69,-1.6 69,-0.1 -2,-0.1 -2,-0.1 -0.188 22.3-139.2 -57.3 140.6 19.1 14.6 9.7 93 85 A P - 0 0 38 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 -0.270 18.0-117.1 -82.2 179.9 20.7 11.2 10.3 94 86 A D S > S+ 0 0 156 1,-0.1 3,-0.8 2,-0.1 4,-0.2 0.927 110.3 55.4 -80.3 -55.6 22.9 10.3 13.3 95 87 A N T >> + 0 0 61 1,-0.3 4,-3.0 2,-0.2 3,-0.8 0.464 67.4 123.2 -63.0 -1.1 26.1 9.5 11.4 96 88 A I H 3> S+ 0 0 4 1,-0.3 4,-1.6 2,-0.2 -1,-0.3 0.772 82.0 43.2 -25.6 -42.4 25.9 13.0 9.9 97 89 A Q H <> S+ 0 0 87 -3,-0.8 4,-1.9 2,-0.2 -1,-0.3 0.902 113.6 49.6 -76.1 -46.0 29.4 13.4 11.4 98 90 A E H <> S+ 0 0 126 -3,-0.8 4,-2.3 1,-0.2 -2,-0.2 0.930 110.2 52.9 -54.6 -49.4 30.5 10.0 10.3 99 91 A L H X S+ 0 0 17 -4,-3.0 4,-2.0 1,-0.2 -2,-0.2 0.898 108.3 48.5 -54.4 -48.6 29.3 10.7 6.8 100 92 A Y H X S+ 0 0 0 -4,-1.6 4,-1.9 -5,-0.4 -1,-0.2 0.871 112.5 47.7 -65.2 -37.7 31.2 13.9 6.5 101 93 A L H X S+ 0 0 36 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.854 109.7 52.6 -74.0 -33.4 34.5 12.4 7.7 102 94 A K H X S+ 0 0 102 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.895 107.6 53.6 -67.3 -35.7 34.1 9.4 5.4 103 95 A S H X S+ 0 0 0 -4,-2.0 4,-1.4 2,-0.2 -2,-0.2 0.908 106.6 50.6 -65.3 -41.8 33.6 11.8 2.5 104 96 A L H ><>S+ 0 0 1 -4,-1.9 5,-1.9 1,-0.2 3,-0.5 0.919 107.4 53.7 -60.0 -43.5 36.9 13.6 3.4 105 97 A E H ><5S+ 0 0 80 -4,-2.1 3,-1.7 1,-0.2 -1,-0.2 0.904 104.7 58.4 -53.9 -38.9 38.6 10.3 3.4 106 98 A N H 3<5S+ 0 0 67 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.822 96.8 57.9 -63.2 -34.3 37.1 9.9 -0.1 107 99 A L T <<5S- 0 0 4 -4,-1.4 -98,-0.3 -3,-0.5 -1,-0.3 0.473 134.1 -89.1 -75.5 -0.9 38.8 13.0 -1.4 108 100 A G T < 5S+ 0 0 44 -3,-1.7 2,-0.3 -4,-0.3 -3,-0.2 0.556 76.7 156.0 105.9 14.9 42.1 11.3 -0.4 109 101 A F < - 0 0 10 -5,-1.9 2,-0.8 -6,-0.2 -1,-0.3 -0.555 37.0-155.7 -80.9 134.5 42.3 12.6 3.1 110 102 A D > - 0 0 64 -2,-0.3 3,-1.8 1,-0.2 4,-0.2 -0.843 15.7-175.8-101.0 90.0 44.2 10.9 5.8 111 103 A L G > S+ 0 0 15 -2,-0.8 3,-4.2 1,-0.3 -1,-0.2 0.877 73.7 70.6 -56.0 -45.7 42.3 12.2 8.9 112 104 A K G 3 S+ 0 0 164 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.0 0.708 97.3 54.2 -44.1 -24.2 44.5 10.6 11.4 113 105 A S G < S+ 0 0 67 -3,-1.8 2,-0.3 2,-0.0 -1,-0.3 0.472 105.6 63.6 -93.1 -3.4 47.2 13.1 10.3 114 106 A H S < S- 0 0 31 -3,-4.2 2,-0.6 -4,-0.2 25,-0.0 -0.880 73.8-132.5-124.0 151.0 45.0 16.1 11.0 115 107 A D - 0 0 117 -2,-0.3 25,-2.1 2,-0.0 2,-0.7 -0.921 22.8-167.7-102.8 118.5 43.3 17.6 14.0 116 108 A I E -D 139 0A 31 -2,-0.6 23,-0.2 23,-0.2 2,-0.1 -0.873 4.9-172.0-111.3 101.7 39.7 18.4 13.2 117 109 A R E -D 138 0A 149 21,-1.6 21,-1.9 -2,-0.7 -2,-0.0 -0.478 16.1-149.8 -82.5 160.6 38.0 20.7 15.8 118 110 A F - 0 0 50 19,-0.2 19,-0.2 -2,-0.1 3,-0.1 -0.311 15.5-169.5-129.1 53.5 34.3 21.5 15.8 119 111 A V - 0 0 66 17,-0.5 17,-2.9 16,-0.1 2,-0.2 -0.146 27.6-119.8 -35.7 120.4 34.0 24.9 17.4 120 112 A E B +E 135 0A 146 15,-0.2 15,-0.3 13,-0.0 2,-0.2 -0.478 43.1 162.2 -71.3 137.6 30.3 25.6 18.0 121 113 A D - 0 0 81 13,-3.5 2,-0.0 -2,-0.2 -2,-0.0 -0.705 29.1-135.2-163.1 103.2 28.8 28.5 16.2 122 114 A N - 0 0 69 -2,-0.2 2,-0.8 11,-0.1 11,-0.2 -0.252 16.3-120.0 -69.8 146.8 25.1 29.0 15.7 123 115 A W E +F 132 0A 53 9,-2.1 9,-2.2 26,-0.2 2,-0.5 -0.764 33.4 174.5 -90.9 111.1 23.4 30.0 12.5 124 116 A E E +F 131 0A 146 -2,-0.8 7,-0.2 7,-0.2 5,-0.0 -0.968 3.0 171.0-116.1 115.5 21.5 33.3 12.7 125 117 A S E > +F 130 0A 17 5,-3.6 5,-4.0 -2,-0.5 4,-0.3 -0.845 10.1 171.9-126.5 98.8 20.0 34.7 9.5 126 118 A P T > 5S+ 0 0 79 0, 0.0 3,-1.6 0, 0.0 -1,-0.2 0.943 82.0 58.3 -69.2 -44.7 17.6 37.6 10.0 127 119 A S T 3 5S+ 0 0 21 1,-0.3 153,-0.4 2,-0.1 -2,-0.1 0.876 118.0 33.5 -48.3 -42.8 17.4 38.3 6.2 128 120 A L T 3 5S- 0 0 1 2,-0.1 26,-1.9 152,-0.1 -1,-0.3 0.425 108.8-124.7 -91.7 2.7 16.1 34.7 5.8 129 121 A G T < 5 + 0 0 0 -3,-1.6 26,-3.5 -4,-0.3 27,-0.5 0.937 65.6 146.9 50.5 48.1 14.3 34.8 9.2 130 122 A A E < +F 125 0A 4 -5,-4.0 -5,-3.6 23,-0.2 2,-0.3 -0.895 30.7 172.3-125.0 148.4 16.4 31.7 9.9 131 123 A W E +FG 124 152A 84 21,-2.3 21,-2.6 -2,-0.3 20,-2.2 -0.994 9.7 153.0-148.9 140.6 18.0 30.1 12.9 132 124 A G E -FG 123 150A 0 -9,-2.2 -9,-2.1 -2,-0.3 2,-0.3 -0.989 46.7 -90.6-159.4 164.4 19.8 26.8 13.6 133 125 A L E - 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0 0 54 1,-0.2 4,-2.5 2,-0.0 3,-0.7 -0.885 19.1-160.9-109.6 108.9 25.8 52.5 -10.4 218 210 A V H 3> S+ 0 0 45 -2,-0.7 4,-3.6 1,-0.3 -1,-0.2 0.885 87.8 55.4 -59.1 -48.6 24.0 53.0 -7.1 219 211 A K H 3> S+ 0 0 164 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.815 113.2 45.1 -56.1 -32.5 20.8 54.7 -8.5 220 212 A I H <> S+ 0 0 9 -3,-0.7 4,-3.4 2,-0.2 -2,-0.2 0.932 110.9 49.9 -76.3 -51.7 20.3 51.7 -10.7 221 213 A L H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.893 110.8 54.2 -52.8 -40.2 21.1 49.1 -8.1 222 214 A N H X S+ 0 0 45 -4,-3.6 4,-3.2 -5,-0.2 5,-0.3 0.981 109.6 44.4 -51.9 -59.1 18.6 51.0 -6.0 223 215 A E H X S+ 0 0 66 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.904 112.0 54.3 -54.2 -44.4 15.9 50.7 -8.8 224 216 A Q H X S+ 0 0 28 -4,-3.4 4,-2.2 2,-0.2 -1,-0.2 0.931 113.1 41.9 -55.0 -49.6 16.9 47.0 -9.2 225 217 A F H X S+ 0 0 2 -4,-2.6 4,-1.7 2,-0.2 5,-0.2 0.952 115.4 47.9 -62.8 -53.9 16.3 46.4 -5.5 226 218 A E H X S+ 0 0 76 -4,-3.2 4,-1.7 1,-0.2 -1,-0.2 0.829 115.6 48.7 -57.4 -30.3 13.1 48.5 -5.3 227 219 A N H X S+ 0 0 24 -4,-2.5 4,-1.9 -5,-0.3 -2,-0.2 0.849 108.1 49.3 -82.3 -34.0 11.9 46.7 -8.4 228 220 A S H X S+ 0 0 2 -4,-2.2 4,-1.7 -5,-0.2 -2,-0.2 0.761 114.0 48.7 -75.6 -22.3 12.6 43.1 -7.3 229 221 A Y H X S+ 0 0 39 -4,-1.7 4,-2.3 2,-0.2 5,-0.3 0.955 111.0 48.8 -75.9 -56.7 10.8 43.8 -4.0 230 222 A K H X S+ 0 0 120 -4,-1.7 4,-1.5 -5,-0.2 -2,-0.2 0.877 116.2 43.9 -44.6 -47.7 7.8 45.3 -5.7 231 223 A E H X S+ 0 0 0 -4,-1.9 4,-2.9 2,-0.2 -1,-0.2 0.912 107.9 57.0 -74.9 -42.5 7.5 42.4 -8.1 232 224 A C H X S+ 0 0 0 -4,-1.7 4,-2.5 1,-0.2 5,-0.2 0.924 111.5 43.8 -48.5 -48.5 8.1 39.7 -5.4 233 225 A K H X S+ 0 0 74 -4,-2.3 4,-1.7 2,-0.2 -1,-0.2 0.826 110.2 57.4 -70.8 -30.3 5.1 41.1 -3.5 234 226 A N H < S+ 0 0 58 -4,-1.5 4,-0.4 -5,-0.3 -2,-0.2 0.952 111.9 40.9 -58.7 -51.6 3.2 41.3 -6.8 235 227 A I H ><>S+ 0 0 0 -4,-2.9 3,-2.2 2,-0.2 5,-1.5 0.922 110.8 54.5 -64.1 -50.2 3.7 37.6 -7.5 236 228 A L H ><5S+ 0 0 13 -4,-2.5 3,-1.7 1,-0.3 -1,-0.2 0.860 101.4 60.7 -55.7 -39.5 3.1 36.4 -3.9 237 229 A E T 3<5S+ 0 0 157 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.757 104.3 50.8 -53.4 -26.0 -0.2 38.3 -4.1 238 230 A Q T < 5S- 0 0 104 -3,-2.2 -1,-0.3 -4,-0.4 -2,-0.2 0.479 119.7-114.7 -92.9 -2.7 -0.9 35.8 -7.0 239 231 A G T < 5S+ 0 0 22 -3,-1.7 2,-0.8 -4,-0.4 -3,-0.2 0.609 70.9 137.5 82.9 13.2 0.1 32.9 -4.8 240 232 A L >< + 0 0 7 -5,-1.5 4,-0.8 1,-0.2 -1,-0.2 -0.822 23.5 173.6 -98.4 107.6 3.2 32.0 -6.8 241 233 A A H > + 0 0 1 -2,-0.8 4,-2.5 45,-0.2 -1,-0.2 0.963 68.2 51.2 -75.2 -56.7 6.1 31.1 -4.6 242 234 A L H > S+ 0 0 25 1,-0.2 4,-0.9 2,-0.2 -1,-0.1 0.888 114.3 41.0 -59.5 -49.7 8.9 29.9 -6.8 243 235 A P H >> S+ 0 0 3 0, 0.0 3,-1.1 0, 0.0 4,-1.1 0.941 114.2 56.2 -61.9 -44.1 9.0 32.8 -9.3 244 236 A A H 3X S+ 0 0 0 -4,-0.8 4,-1.2 1,-0.3 3,-0.4 0.876 101.8 56.7 -51.5 -41.1 8.5 35.1 -6.4 245 237 A Y H 3X S+ 0 0 1 -4,-2.5 4,-2.5 1,-0.2 -1,-0.3 0.742 95.5 63.6 -70.5 -22.3 11.6 33.7 -4.7 246 238 A D H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 3,-0.9 0.940 108.3 50.0 -60.6 -49.1 21.4 43.6 -5.0 255 247 A F H 3X S+ 0 0 3 -4,-2.6 4,-2.0 1,-0.3 -1,-0.2 0.911 105.9 56.6 -54.8 -45.3 21.7 44.7 -1.3 256 248 A N H 3X S+ 0 0 51 -4,-2.1 4,-1.3 1,-0.2 -1,-0.3 0.788 108.9 48.0 -57.5 -28.0 24.9 42.9 -1.0 257 249 A L H S+ 0 0 0 -4,-2.3 5,-2.3 1,-0.2 6,-0.2 0.835 110.5 51.6 -56.6 -32.5 25.0 48.3 -2.5 259 251 A D H ><5S+ 0 0 42 -4,-2.0 3,-1.1 -5,-0.2 -1,-0.2 0.891 109.0 47.4 -71.5 -42.6 27.0 47.2 0.6 260 252 A A H 3<5S+ 0 0 12 -4,-1.3 -2,-0.2 1,-0.3 -1,-0.2 0.836 107.3 58.2 -66.3 -31.0 30.2 46.5 -1.4 261 253 A R T 3<5S- 0 0 81 -4,-2.4 -1,-0.3 1,-0.1 -2,-0.2 0.576 111.9-124.3 -75.5 -7.1 29.7 49.8 -3.1 262 254 A G T < 5S+ 0 0 64 -3,-1.1 -3,-0.2 -5,-0.2 -2,-0.1 0.687 74.0 129.9 71.4 20.3 29.8 51.4 0.3 263 255 A A < + 0 0 28 -5,-2.3 2,-0.3 -6,-0.2 -4,-0.2 0.119 45.8 81.5 -96.2 19.2 26.5 53.0 -0.6 264 256 A I - 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0 0 56 1,-0.2 4,-2.4 2,-0.0 5,-0.1 -0.769 19.1-157.1 -89.0 117.8 4.5 43.3 -14.6 505 210 B V H > S+ 0 0 54 -2,-0.6 4,-3.3 1,-0.2 5,-0.2 0.899 89.3 50.6 -66.8 -45.4 5.4 44.7 -18.0 506 211 B K H > S+ 0 0 141 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.862 112.6 48.2 -62.1 -33.5 6.5 48.2 -16.9 507 212 B I H > S+ 0 0 9 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.935 112.4 49.2 -72.1 -43.4 8.9 46.6 -14.3 508 213 B L H X S+ 0 0 0 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.895 111.0 49.2 -59.9 -43.4 10.1 44.2 -17.0 509 214 B N H X S+ 0 0 37 -4,-3.3 4,-2.3 2,-0.2 5,-0.2 0.960 111.3 50.2 -59.4 -47.5 10.7 47.1 -19.3 510 215 B E H X S+ 0 0 42 -4,-2.5 4,-2.3 1,-0.2 5,-0.3 0.901 108.2 52.6 -54.6 -44.1 12.5 49.0 -16.6 511 216 B Q H X S+ 0 0 26 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.909 109.9 51.3 -60.9 -39.9 14.7 45.9 -15.9 512 217 B F H X S+ 0 0 6 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.950 111.1 42.4 -61.5 -58.2 15.6 45.9 -19.6 513 218 B E H X S+ 0 0 91 -4,-2.3 4,-3.2 1,-0.2 5,-0.2 0.930 116.3 50.4 -56.7 -46.6 16.7 49.5 -20.1 514 219 B N H X S+ 0 0 16 -4,-2.3 4,-2.6 1,-0.2 5,-0.3 0.914 108.5 50.8 -59.4 -46.8 18.6 49.4 -16.8 515 220 B S H X S+ 0 0 5 -4,-2.5 4,-1.8 -5,-0.3 -1,-0.2 0.858 114.2 46.5 -54.8 -36.6 20.4 46.2 -17.7 516 221 B Y H X S+ 0 0 36 -4,-1.8 4,-1.8 2,-0.2 -2,-0.2 0.918 112.3 48.4 -75.6 -45.8 21.3 47.9 -21.0 517 222 B K H X S+ 0 0 110 -4,-3.2 4,-2.4 2,-0.2 -2,-0.2 0.870 113.5 46.9 -58.6 -42.8 22.4 51.2 -19.4 518 223 B E H X S+ 0 0 0 -4,-2.6 4,-2.0 2,-0.2 5,-0.2 0.943 108.1 54.4 -72.3 -46.1 24.6 49.4 -16.8 519 224 B C H X S+ 0 0 0 -4,-1.8 4,-1.8 -5,-0.3 -1,-0.2 0.910 112.4 45.8 -46.9 -45.3 26.2 47.1 -19.4 520 225 B K H X S+ 0 0 73 -4,-1.8 4,-2.0 1,-0.2 -2,-0.2 0.928 109.9 53.9 -67.2 -45.4 27.2 50.3 -21.3 521 226 B N H < S+ 0 0 52 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.787 111.8 45.2 -54.5 -34.3 28.4 52.0 -18.2 522 227 B I H ><>S+ 0 0 0 -4,-2.0 5,-1.4 2,-0.2 3,-1.3 0.820 108.3 54.1 -84.3 -37.4 30.7 49.1 -17.4 523 228 B L H ><5S+ 0 0 18 -4,-1.8 3,-2.2 1,-0.3 -2,-0.2 0.853 95.3 68.6 -67.0 -35.1 32.1 48.6 -20.9 524 229 B E T 3<5S+ 0 0 138 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.638 102.7 50.5 -51.7 -10.6 33.1 52.3 -20.8 525 230 B Q T < 5S- 0 0 109 -3,-1.3 -1,-0.3 -5,-0.1 -2,-0.2 0.409 117.6-110.3-114.2 -2.7 35.5 51.0 -18.2 526 231 B G T < 5S+ 0 0 23 -3,-2.2 2,-0.7 1,-0.2 -3,-0.2 0.593 76.6 128.5 85.0 14.0 37.1 48.1 -20.1 527 232 B L >< + 0 0 11 -5,-1.4 4,-0.9 1,-0.2 -1,-0.2 -0.830 23.7 166.1-111.9 99.6 35.4 45.5 -17.9 528 233 B A H > + 0 0 0 -2,-0.7 4,-3.0 2,-0.2 -1,-0.2 0.763 64.5 64.8 -87.4 -28.0 33.6 42.8 -19.9 529 234 B L H > S+ 0 0 22 2,-0.2 4,-0.7 1,-0.2 -1,-0.1 0.935 112.1 34.7 -66.3 -49.6 33.0 40.0 -17.5 530 235 B P H > S+ 0 0 2 0, 0.0 4,-0.9 0, 0.0 3,-0.5 0.829 116.9 57.7 -66.8 -38.9 30.6 42.0 -15.2 531 236 B A H >X S+ 0 0 0 -4,-0.9 4,-1.5 1,-0.2 3,-1.2 0.950 101.3 57.0 -53.8 -49.1 29.3 43.8 -18.3 532 237 B Y H 3X S+ 0 0 2 -4,-3.0 4,-2.8 1,-0.3 -1,-0.2 0.754 96.8 60.8 -59.1 -28.9 28.3 40.5 -19.8 533 238 B D H 3X S+ 0 0 5 -4,-0.7 4,-1.7 -3,-0.5 -1,-0.3 0.851 104.6 49.3 -68.1 -31.1 26.0 39.5 -16.9 534 239 B Y H S+ 0 0 0 -4,-2.7 5,-2.5 1,-0.2 6,-0.4 0.802 109.0 56.8 -56.3 -29.5 8.4 40.3 -22.3 546 251 B D H ><5S+ 0 0 37 -4,-1.5 3,-1.9 -5,-0.2 5,-0.3 0.965 105.7 45.4 -63.5 -58.4 8.1 38.0 -25.3 547 252 B A H 3<5S+ 0 0 15 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.638 108.5 60.4 -63.7 -14.9 6.0 35.3 -23.5 548 253 B R T 3<5S- 0 0 81 -4,-1.2 -1,-0.3 -5,-0.1 -2,-0.2 0.551 111.0-121.1 -87.8 -8.7 3.9 38.1 -22.0 549 254 B G T < 5S+ 0 0 66 -3,-1.9 -3,-0.2 -4,-0.2 -2,-0.1 0.813 75.8 129.2 70.3 31.9 2.8 39.3 -25.5 550 255 B A < + 0 0 23 -5,-2.5 2,-0.4 -6,-0.2 -4,-0.2 0.398 55.9 65.1 -99.6 0.9 4.3 42.6 -24.7 551 256 B I - 0 0 19 -6,-0.4 2,-0.2 -5,-0.3 -1,-0.1 -0.985 60.8-169.1-127.9 122.7 6.4 42.8 -27.9 552 257 B S > - 0 0 54 -2,-0.4 4,-1.8 1,-0.1 5,-0.1 -0.526 40.9-103.0 -93.8 174.8 5.1 43.0 -31.5 553 258 B V H > S+ 0 0 115 2,-0.2 4,-0.7 1,-0.2 -1,-0.1 0.817 119.8 58.0 -70.0 -31.7 7.3 42.5 -34.5 554 259 B A H 4 S+ 0 0 77 1,-0.2 3,-0.5 2,-0.2 4,-0.4 0.939 118.0 31.4 -58.7 -49.9 7.4 46.3 -35.2 555 260 B Q H > S+ 0 0 84 1,-0.2 4,-1.2 2,-0.2 3,-0.5 0.650 101.6 82.0 -84.7 -17.3 8.9 46.9 -31.8 556 261 B R H X S+ 0 0 73 -4,-1.8 4,-1.9 1,-0.2 -1,-0.2 0.787 85.7 60.9 -57.9 -28.0 10.7 43.6 -31.7 557 262 B Q H X S+ 0 0 134 -4,-0.7 4,-2.4 -3,-0.5 -1,-0.2 0.925 98.3 54.3 -65.4 -46.5 13.4 45.3 -33.8 558 263 B D H > S+ 0 0 92 -3,-0.5 4,-1.3 -4,-0.4 -1,-0.2 0.839 110.7 45.2 -64.9 -32.9 14.3 47.9 -31.2 559 264 B Y H X S+ 0 0 29 -4,-1.2 4,-2.2 2,-0.2 -1,-0.2 0.957 113.0 49.6 -68.0 -51.2 14.9 45.4 -28.4 560 265 B X H X S+ 0 0 30 -4,-1.9 4,-2.2 1,-0.2 5,-0.2 0.823 106.0 57.8 -64.1 -32.4 17.0 43.0 -30.6 561 266 B L H X S+ 0 0 121 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.974 108.4 45.1 -55.3 -56.0 19.1 45.9 -31.8 562 267 B K H X S+ 0 0 68 -4,-1.3 4,-2.3 1,-0.2 -2,-0.2 0.876 112.8 50.3 -59.4 -40.6 20.1 46.8 -28.2 563 268 B I H X S+ 0 0 3 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.927 111.3 48.1 -63.5 -46.0 20.8 43.2 -27.2 564 269 B R H X S+ 0 0 105 -4,-2.2 4,-1.6 1,-0.2 -1,-0.2 0.830 111.1 51.9 -64.6 -36.2 23.0 42.6 -30.3 565 270 B E H X S+ 0 0 66 -4,-2.2 4,-2.4 -5,-0.2 -1,-0.2 0.905 108.3 51.6 -65.3 -42.3 24.8 45.8 -29.5 566 271 B L H X S+ 0 0 1 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.945 112.4 44.1 -59.0 -47.3 25.5 44.7 -25.9 567 272 B S H X S+ 0 0 1 -4,-2.2 4,-2.2 -153,-0.3 -1,-0.2 0.818 113.0 50.9 -74.9 -30.7 27.0 41.4 -26.9 568 273 B K H X S+ 0 0 49 -4,-1.6 4,-1.9 -5,-0.2 -1,-0.2 0.963 111.8 47.0 -66.8 -53.4 29.1 42.8 -29.7 569 274 B N H X S+ 0 0 53 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.858 113.0 49.4 -57.1 -39.4 30.6 45.5 -27.4 570 275 B C H X S+ 0 0 0 -4,-2.2 4,-2.9 -5,-0.2 -1,-0.2 0.942 109.9 51.4 -64.1 -49.2 31.3 42.9 -24.7 571 276 B A H X S+ 0 0 0 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.824 110.6 49.1 -56.0 -36.2 32.9 40.6 -27.1 572 277 B E H X S+ 0 0 95 -4,-1.9 4,-2.8 2,-0.2 -1,-0.2 0.954 112.3 45.9 -70.1 -51.6 35.2 43.4 -28.4 573 278 B I H X S+ 0 0 22 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.906 112.9 51.5 -59.9 -46.4 36.3 44.6 -25.0 574 279 B Y H X S+ 0 0 12 -4,-2.9 4,-1.3 2,-0.2 -2,-0.2 0.986 112.5 43.6 -51.2 -67.6 36.9 41.0 -23.9 575 280 B K H >X S+ 0 0 62 -4,-1.9 3,-1.0 1,-0.2 4,-0.6 0.896 112.9 53.3 -45.3 -53.5 39.1 40.1 -26.9 576 281 B K H >< S+ 0 0 147 -4,-2.8 3,-1.4 1,-0.3 -1,-0.2 0.933 106.1 52.8 -47.5 -55.0 41.0 43.4 -26.6 577 282 B N H 3< S+ 0 0 60 -4,-2.7 -1,-0.3 1,-0.2 -2,-0.2 0.754 94.2 75.2 -50.0 -30.6 41.8 42.8 -22.9 578 283 B L H << 0 0 63 -4,-1.3 -1,-0.2 -3,-1.0 -2,-0.2 0.802 360.0 360.0 -60.9 -33.6 43.3 39.4 -23.8 579 284 B N << 0 0 177 -3,-1.4 -3,-0.1 -4,-0.6 -4,-0.0 0.292 360.0 360.0-108.2 360.0 46.5 40.8 -25.3 580 ! 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 0.0 581 289 B L 0 0 101 0, 0.0 -169,-0.1 0, 0.0 -256,-0.1 0.000 360.0 360.0 360.0 360.0 18.1 33.9 -30.7