==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 27-OCT-97 2SHK . COMPND 2 MOLECULE: SHIKIMATE KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ERWINIA CHRYSANTHEMI; . AUTHOR T.KRELL,J.R.COGGINS,A.J.LAPTHORN . 320 4 1 0 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15678.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 246 76.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 38 11.9 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 . 0 0.0 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 . 22 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 147 45.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.9 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 0 0 2 0 1 2 1 0 4 0 0 0 0 0 1 1 0 0 0 0 2 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 6 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 . 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 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 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 0 171 0, 0.0 71,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 152.5 59.5 28.0 13.0 2 2 A T + 0 0 67 69,-0.1 70,-2.2 70,-0.1 71,-0.3 0.214 360.0 136.8-111.0 23.1 57.7 30.9 11.4 3 3 A E - 0 0 63 68,-0.2 92,-0.2 69,-0.1 93,-0.1 -0.298 68.0 -84.9 -61.7 150.7 58.5 31.1 7.7 4 4 A P - 0 0 7 0, 0.0 92,-2.0 0, 0.0 2,-0.6 -0.279 39.6-141.2 -57.0 141.4 55.5 31.8 5.4 5 5 A I E -ab 74 96A 1 68,-2.2 70,-2.9 90,-0.2 2,-0.6 -0.979 13.8-158.6-112.4 113.5 53.6 28.7 4.4 6 6 A F E -ab 75 97A 0 90,-2.4 92,-3.3 -2,-0.6 2,-0.6 -0.834 3.0-154.4 -95.9 120.3 52.5 28.7 0.7 7 7 A M E +ab 76 98A 0 68,-2.4 70,-1.8 -2,-0.6 2,-0.3 -0.885 20.3 179.5 -92.7 117.5 49.5 26.4 -0.2 8 8 A V E + b 0 99A 0 90,-3.5 92,-2.8 -2,-0.6 2,-0.3 -0.814 18.8 112.2-116.1 160.9 49.7 25.5 -3.9 9 9 A G - 0 0 0 -2,-0.3 72,-0.2 69,-0.2 2,-0.2 -0.922 59.3 -68.0 157.0 169.5 47.4 23.4 -6.0 10 10 A A > - 0 0 1 90,-0.5 3,-2.2 -2,-0.3 5,-0.2 -0.503 66.2 -69.2 -85.5 165.4 44.8 23.5 -8.8 11 11 A R T 3 S+ 0 0 116 1,-0.3 -1,-0.2 -2,-0.2 67,-0.0 -0.113 123.5 25.5 -50.4 129.3 41.4 25.0 -8.8 12 12 A G T 3 S+ 0 0 30 -3,-0.1 -1,-0.3 97,-0.1 98,-0.1 0.461 86.0 110.9 89.4 -1.3 39.1 22.9 -6.5 13 13 A C S < S- 0 0 2 -3,-2.2 -2,-0.1 87,-0.1 -5,-0.0 0.573 88.3-110.1 -86.2 -5.7 41.9 21.5 -4.2 14 14 A G > + 0 0 23 -4,-0.2 4,-3.0 3,-0.1 5,-0.5 0.699 61.4 152.1 90.4 26.4 40.8 23.5 -1.1 15 15 A K H > S+ 0 0 19 -5,-0.2 4,-2.7 2,-0.2 5,-0.2 0.916 71.9 42.2 -50.4 -56.0 43.6 26.0 -0.8 16 16 A T H > S+ 0 0 36 2,-0.2 4,-3.2 1,-0.2 5,-0.3 0.943 118.2 46.0 -60.0 -48.0 41.8 28.9 0.9 17 17 A T H > S+ 0 0 69 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.907 119.6 37.9 -63.8 -50.4 39.8 26.7 3.2 18 18 A V H X S+ 0 0 4 -4,-3.0 4,-3.0 1,-0.2 5,-0.3 0.895 117.0 53.5 -69.5 -41.0 42.7 24.5 4.3 19 19 A G H X S+ 0 0 0 -4,-2.7 4,-1.7 -5,-0.5 -2,-0.2 0.864 111.6 44.4 -54.7 -47.8 45.0 27.5 4.3 20 20 A R H X S+ 0 0 97 -4,-3.2 4,-1.6 1,-0.2 -1,-0.2 0.924 113.7 50.5 -69.8 -37.6 42.6 29.4 6.6 21 21 A E H X S+ 0 0 41 -4,-2.2 4,-1.7 -5,-0.3 -2,-0.2 0.875 111.0 48.6 -68.5 -32.6 42.1 26.4 8.9 22 22 A L H X S+ 0 0 0 -4,-3.0 4,-1.7 1,-0.2 6,-0.3 0.903 107.3 55.2 -74.0 -35.9 45.9 25.8 9.2 23 23 A A H X>S+ 0 0 3 -4,-1.7 5,-3.4 -5,-0.3 4,-1.1 0.892 107.4 51.0 -61.3 -40.4 46.5 29.5 10.0 24 24 A R H ><5S+ 0 0 105 -4,-1.6 3,-0.7 3,-0.2 -1,-0.2 0.954 108.8 50.3 -67.5 -43.1 44.1 29.3 12.9 25 25 A A H 3<5S+ 0 0 12 -4,-1.7 134,-2.2 1,-0.3 284,-0.3 0.761 118.1 38.1 -64.8 -32.5 45.7 26.2 14.3 26 26 A L H 3<5S- 0 0 12 -4,-1.7 -1,-0.3 132,-0.3 -2,-0.2 0.531 111.0-116.1 -93.6 -13.4 49.1 27.7 14.3 27 27 A G T <<5 + 0 0 51 -4,-1.1 -3,-0.2 -3,-0.7 2,-0.2 0.819 67.8 142.2 76.2 34.4 48.0 31.2 15.3 28 28 A Y < - 0 0 34 -5,-3.4 45,-0.3 -6,-0.3 -1,-0.2 -0.606 55.8-104.2 -98.5 173.3 49.2 32.6 11.9 29 29 A E E -c 73 0A 103 43,-3.0 45,-2.8 -2,-0.2 2,-0.4 -0.523 34.5-144.5 -83.0 164.5 47.8 35.3 9.7 30 30 A F E +c 74 0A 49 43,-0.2 2,-0.3 -2,-0.1 45,-0.2 -0.985 22.0 169.2-137.1 131.4 46.0 34.1 6.5 31 31 A V E -c 75 0A 28 43,-1.8 45,-2.7 -2,-0.4 2,-0.5 -0.995 20.5-153.3-143.5 139.3 46.0 35.7 3.1 32 32 A D E > -c 76 0A 12 -2,-0.3 4,-2.8 43,-0.2 5,-0.3 -0.982 13.2-147.2-115.8 111.9 44.7 34.5 -0.3 33 33 A T H > S+ 0 0 0 43,-2.3 4,-1.8 -2,-0.5 5,-0.2 0.836 98.4 51.5 -54.2 -32.2 46.5 36.1 -3.3 34 34 A D H > S+ 0 0 62 42,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.980 112.9 45.2 -69.6 -42.4 43.4 36.0 -5.5 35 35 A I H > S+ 0 0 80 1,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.930 112.3 51.4 -65.5 -44.5 41.3 37.6 -2.8 36 36 A F H X S+ 0 0 68 -4,-2.8 4,-0.6 1,-0.2 5,-0.3 0.919 109.2 50.3 -56.9 -46.9 43.9 40.2 -2.1 37 37 A M H >X S+ 0 0 19 -4,-1.8 4,-2.8 -5,-0.3 3,-1.0 0.962 113.1 47.0 -56.8 -48.7 44.2 41.2 -5.8 38 38 A Q H 3X S+ 0 0 60 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.956 115.5 42.8 -61.0 -46.8 40.5 41.5 -6.1 39 39 A H H 3< S+ 0 0 149 -4,-2.7 -1,-0.2 2,-0.2 -2,-0.2 0.316 120.8 41.3 -87.3 4.6 39.9 43.6 -3.0 40 40 A T H << S+ 0 0 93 -3,-1.0 -2,-0.2 -4,-0.6 -3,-0.2 0.626 125.2 31.9-115.3 -38.7 42.9 45.9 -3.6 41 41 A S H < S- 0 0 42 -4,-2.8 -2,-0.2 -5,-0.3 -3,-0.2 0.657 94.4-133.9 -87.0 -24.8 42.7 46.4 -7.3 42 42 A G < + 0 0 52 -4,-2.0 2,-0.3 -5,-0.5 -4,-0.1 0.296 69.7 113.5 85.8 -12.2 38.8 46.3 -7.5 43 43 A M - 0 0 62 -6,-0.5 -1,-0.3 4,-0.0 -2,-0.2 -0.730 60.1-139.1-104.1 144.3 39.2 44.0 -10.5 44 44 A T > - 0 0 53 -2,-0.3 4,-2.9 -3,-0.1 5,-0.2 -0.294 37.4-103.1 -82.0 173.7 38.4 40.3 -11.2 45 45 A V H > S+ 0 0 64 2,-0.2 4,-3.6 1,-0.2 5,-0.3 0.974 126.9 52.2 -68.5 -37.0 40.8 38.1 -13.2 46 46 A A H > S+ 0 0 69 1,-0.2 4,-2.4 2,-0.2 5,-0.3 0.909 109.5 49.5 -65.2 -36.3 38.4 38.5 -16.1 47 47 A D H > S+ 0 0 81 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.969 114.7 44.0 -61.0 -54.6 38.6 42.2 -15.7 48 48 A V H X S+ 0 0 5 -4,-2.9 4,-2.4 2,-0.2 5,-0.3 0.851 115.6 47.5 -58.2 -43.3 42.5 42.1 -15.6 49 49 A V H X S+ 0 0 32 -4,-3.6 4,-3.6 2,-0.2 3,-0.2 0.985 109.2 52.6 -67.7 -48.8 42.8 39.7 -18.5 50 50 A A H < S+ 0 0 92 -4,-2.4 -2,-0.2 -5,-0.3 -1,-0.2 0.903 119.3 36.8 -51.7 -43.2 40.4 41.6 -20.7 51 51 A A H < S+ 0 0 78 -4,-2.0 -1,-0.3 -5,-0.3 -2,-0.2 0.798 141.3 5.8 -80.7 -34.6 42.4 44.8 -20.1 52 52 A E H X S- 0 0 78 -4,-2.4 4,-1.3 -3,-0.2 -3,-0.2 0.316 98.1-126.7-134.8 6.9 46.0 43.5 -20.0 53 53 A G H >X - 0 0 25 -4,-3.6 4,-2.1 -5,-0.3 3,-2.0 0.462 46.7 -55.8 63.0 167.4 45.7 39.8 -20.9 54 54 A W H 3> S+ 0 0 128 1,-0.3 4,-2.9 2,-0.2 5,-0.2 0.784 134.9 59.9 -38.1 -43.8 47.1 36.7 -19.1 55 55 A P H 3> S+ 0 0 89 0, 0.0 4,-1.4 0, 0.0 -1,-0.3 0.865 108.1 43.0 -58.3 -42.3 50.6 38.2 -19.1 56 56 A G H - 0 0 49 -2,-0.3 3,-0.6 3,-0.1 -65,-0.2 -0.940 57.6 -83.4-168.8 155.7 55.7 37.4 5.4 71 71 A P T 3 S+ 0 0 66 0, 0.0 -68,-0.2 0, 0.0 -42,-0.1 -0.136 108.0 29.1 -63.1 156.2 56.5 35.2 8.5 72 72 A N T 3 S+ 0 0 72 -70,-2.2 -43,-3.0 1,-0.2 2,-0.4 0.741 101.8 111.4 58.2 40.4 53.8 33.8 10.7 73 73 A R E < - c 0 29A 49 -3,-0.6 -68,-2.2 -71,-0.3 2,-0.5 -0.972 58.8-148.8-143.5 132.8 51.5 33.8 7.7 74 74 A V E -ac 5 30A 0 -45,-2.8 -43,-1.8 -2,-0.4 2,-0.5 -0.965 19.8-162.5 -95.1 127.7 49.8 31.1 5.6 75 75 A V E -ac 6 31A 0 -70,-2.9 -68,-2.4 -2,-0.5 2,-0.4 -0.965 7.6-156.3-113.6 114.2 49.3 32.3 2.0 76 76 A A E -ac 7 32A 0 -45,-2.7 -43,-2.3 -2,-0.5 2,-0.3 -0.727 21.8-155.3 -83.7 134.7 46.8 30.4 -0.3 77 77 A T - 0 0 1 -70,-1.8 -62,-0.1 -2,-0.4 -68,-0.1 -0.835 19.9 -97.6-111.1 157.2 47.9 31.1 -4.0 78 78 A G > - 0 0 3 -2,-0.3 3,-1.9 1,-0.1 4,-0.3 -0.299 42.8-104.0 -67.7 156.9 45.9 31.0 -7.2 79 79 A G T 3 S+ 0 0 12 1,-0.3 3,-0.4 2,-0.1 -1,-0.1 0.722 118.3 45.3 -51.6 -29.6 46.1 27.8 -9.2 80 80 A G T > S+ 0 0 5 1,-0.2 3,-1.7 2,-0.1 4,-0.4 0.153 75.9 106.6-113.3 29.4 48.5 29.1 -11.9 81 81 A M T < S+ 0 0 0 -3,-1.9 3,-0.4 1,-0.3 -1,-0.2 0.786 77.5 59.8 -74.3 -21.4 50.9 30.8 -9.5 82 82 A V T 3 S+ 0 0 1 -3,-0.4 -1,-0.3 -4,-0.3 -2,-0.1 0.316 79.9 84.4 -90.2 4.7 53.2 28.0 -10.3 83 83 A L S < S+ 0 0 44 -3,-1.7 2,-0.6 1,-0.1 -1,-0.2 0.877 80.3 68.9 -74.0 -36.9 53.5 28.7 -14.1 84 84 A L S >> S- 0 0 61 -3,-0.4 4,-1.8 -4,-0.4 3,-1.4 -0.658 73.6-147.9 -85.4 121.0 56.2 31.3 -13.7 85 85 A E H 3> S+ 0 0 135 -2,-0.6 4,-2.8 1,-0.3 5,-0.3 0.890 98.5 60.7 -54.0 -40.0 59.6 30.0 -12.6 86 86 A Q H 3> S+ 0 0 121 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.886 105.6 48.9 -57.8 -32.6 60.3 33.2 -10.7 87 87 A N H <> S+ 0 0 0 -3,-1.4 4,-2.1 2,-0.2 -1,-0.2 0.877 108.9 51.4 -73.1 -42.5 57.2 32.5 -8.5 88 88 A R H X S+ 0 0 45 -4,-1.8 4,-2.0 1,-0.2 5,-0.2 0.912 112.6 46.8 -62.2 -40.3 58.3 28.9 -7.9 89 89 A Q H X S+ 0 0 133 -4,-2.8 4,-2.7 -5,-0.2 -2,-0.2 0.926 107.9 55.4 -66.2 -44.0 61.7 30.2 -6.7 90 90 A F H X S+ 0 0 32 -4,-2.0 4,-2.5 -5,-0.3 5,-0.3 0.943 108.9 48.9 -56.2 -44.0 60.2 32.9 -4.5 91 91 A M H X S+ 0 0 0 -4,-2.1 4,-2.7 1,-0.2 -2,-0.2 0.960 112.5 43.9 -67.8 -49.2 58.1 30.4 -2.6 92 92 A R H < S+ 0 0 102 -4,-2.0 -1,-0.2 2,-0.2 -2,-0.2 0.927 118.5 48.2 -62.0 -36.8 60.8 27.8 -1.9 93 93 A A H < S+ 0 0 67 -4,-2.7 -2,-0.2 -5,-0.2 -3,-0.2 0.996 118.9 33.7 -64.5 -66.1 63.1 30.7 -1.0 94 94 A H H < S- 0 0 102 -4,-2.5 2,-0.2 -5,-0.2 -1,-0.2 0.750 128.6 -18.7 -61.9 -34.6 60.9 32.7 1.4 95 95 A G S < S- 0 0 6 -4,-2.7 2,-0.4 -5,-0.3 -90,-0.2 -0.591 77.3 -66.8-143.8-151.1 59.0 29.8 2.9 96 96 A T E -b 5 0A 18 -92,-2.0 -90,-2.4 -2,-0.2 2,-0.4 -0.955 43.8-142.4-116.0 134.9 57.8 26.2 2.9 97 97 A V E -b 6 0A 0 -2,-0.4 37,-2.1 -92,-0.2 38,-1.8 -0.871 11.1-166.1-113.3 134.2 55.4 25.1 0.2 98 98 A V E -bd 7 135A 0 -92,-3.3 -90,-3.5 -2,-0.4 2,-0.6 -0.948 7.9-153.4-118.7 133.1 52.5 22.6 0.5 99 99 A Y E -bd 8 136A 2 36,-2.3 38,-2.5 -2,-0.4 2,-0.9 -0.926 6.5-149.9-106.3 120.4 50.7 21.1 -2.5 100 100 A L E - d 0 137A 2 -92,-2.8 2,-0.5 -2,-0.6 -90,-0.5 -0.839 24.8-160.0 -89.5 108.1 47.2 20.0 -2.0 101 101 A F E + d 0 138A 67 36,-2.2 38,-1.7 -2,-0.9 39,-0.5 -0.768 24.2 154.6-101.1 130.8 46.8 17.1 -4.4 102 102 A A - 0 0 1 -2,-0.5 -92,-0.1 37,-0.2 5,-0.0 -0.976 43.6-110.2-144.2 136.0 43.7 15.7 -5.7 103 103 A P > - 0 0 52 0, 0.0 4,-2.1 0, 0.0 3,-0.4 -0.232 38.0-106.4 -62.4 149.0 43.1 13.8 -9.0 104 104 A A H > S+ 0 0 11 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.757 117.6 62.4 -48.3 -39.5 41.1 15.7 -11.6 105 105 A E H > S+ 0 0 143 2,-0.2 4,-2.5 1,-0.2 3,-0.2 0.978 111.3 38.4 -49.5 -62.3 38.0 13.5 -11.1 106 106 A E H > S+ 0 0 68 -3,-0.4 4,-0.8 1,-0.2 -2,-0.2 0.795 112.7 56.1 -67.8 -26.5 37.8 14.8 -7.5 107 107 A L H < S+ 0 0 6 -4,-2.1 3,-0.5 2,-0.2 -1,-0.2 0.903 110.7 46.9 -69.1 -38.6 38.9 18.4 -8.5 108 108 A A H < S+ 0 0 10 -4,-2.4 -2,-0.2 -3,-0.2 -3,-0.2 0.967 105.7 57.4 -62.5 -54.4 36.0 18.4 -10.9 109 109 A L H < S+ 0 0 116 -4,-2.5 2,-0.8 -5,-0.2 -1,-0.2 0.655 85.8 94.2 -51.4 -26.5 33.5 17.0 -8.4 110 110 A R < + 0 0 100 -4,-0.8 2,-0.2 -3,-0.5 -96,-0.0 -0.707 48.0 146.6 -80.8 108.9 34.3 20.0 -6.1 111 111 A L 0 0 139 -2,-0.8 -3,-0.0 -99,-0.0 -2,-0.0 -0.779 360.0 360.0-147.2 97.4 31.7 22.6 -6.9 112 112 A Q 0 0 157 -2,-0.2 -2,-0.0 0, 0.0 0, 0.0 0.136 360.0 360.0-108.1 360.0 30.3 25.0 -4.2 113 ! 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 0.0 114 128 A I > 0 0 125 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -36.7 35.4 20.6 -16.1 115 129 A A H > + 0 0 43 2,-0.2 4,-0.7 1,-0.2 -7,-0.1 0.666 360.0 45.8 -84.4 -16.9 36.7 17.0 -15.4 116 130 A E H > S+ 0 0 75 2,-0.2 4,-0.9 3,-0.1 -1,-0.2 0.619 115.2 47.1 -90.9 -25.4 38.3 17.2 -18.9 117 131 A E H > S+ 0 0 95 2,-0.2 4,-1.6 3,-0.1 -2,-0.2 0.859 111.3 49.4 -86.6 -38.5 39.6 20.6 -18.2 118 132 A M H X S+ 0 0 3 -4,-2.0 4,-2.6 1,-0.2 5,-0.2 0.876 109.3 55.0 -69.4 -34.0 40.9 19.7 -14.7 119 133 A E H X S+ 0 0 112 -4,-0.7 4,-0.7 1,-0.2 -1,-0.2 0.877 110.8 43.3 -63.4 -41.9 42.6 16.7 -16.4 120 134 A A H X S+ 0 0 32 -4,-0.9 4,-1.7 2,-0.2 -1,-0.2 0.722 109.9 56.5 -79.1 -25.5 44.4 19.0 -18.9 121 135 A V H X S+ 0 0 8 -4,-1.6 4,-3.1 2,-0.2 5,-0.3 0.975 109.8 46.9 -66.9 -48.4 45.3 21.5 -16.1 122 136 A L H X S+ 0 0 23 -4,-2.6 4,-0.9 1,-0.2 5,-0.3 0.714 106.5 57.2 -67.9 -19.6 47.0 18.6 -14.3 123 137 A R H < S+ 0 0 174 -4,-0.7 4,-0.2 -5,-0.2 -1,-0.2 0.944 117.1 36.3 -75.1 -40.2 48.7 17.5 -17.5 124 138 A E H < S+ 0 0 111 -4,-1.7 -2,-0.2 -3,-0.2 -3,-0.1 0.922 133.2 22.0 -70.1 -52.3 50.2 21.0 -17.7 125 139 A R H >X S+ 0 0 29 -4,-3.1 3,-2.8 2,-0.1 4,-2.1 0.760 89.9 91.0-100.6 -26.3 50.8 21.8 -14.0 126 140 A E H 3X S+ 0 0 52 -4,-0.9 4,-2.1 1,-0.3 5,-0.2 0.836 95.6 48.6 -37.8 -48.6 51.0 18.5 -11.9 127 141 A A H 3> S+ 0 0 56 -5,-0.3 4,-1.5 -4,-0.2 -1,-0.3 0.734 110.3 50.3 -68.1 -31.8 54.8 18.5 -12.4 128 142 A L H <> S+ 0 0 36 -3,-2.8 4,-1.8 2,-0.2 -2,-0.2 0.818 108.1 53.3 -76.7 -31.8 55.0 22.2 -11.5 129 143 A Y H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.932 112.9 44.7 -63.4 -42.5 53.1 21.5 -8.3 130 144 A Q H < S+ 0 0 87 -4,-2.1 -2,-0.2 -5,-0.3 -1,-0.2 0.922 110.7 53.7 -71.5 -38.9 55.5 18.8 -7.4 131 145 A D H < S+ 0 0 104 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.887 114.2 40.4 -64.1 -39.1 58.6 20.8 -8.3 132 146 A V H < S+ 0 0 1 -4,-1.8 -1,-0.2 -5,-0.1 -2,-0.2 0.850 98.2 95.2 -85.2 -28.0 57.6 23.7 -6.1 133 147 A A < - 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0 0 11 -4,-2.0 -40,-0.2 -5,-0.3 3,-0.1 -0.377 43.3-177.8 -71.8 137.9 34.4 10.5 30.9 299 148 B H S S+ 0 0 75 -42,-2.9 2,-0.3 1,-0.3 -41,-0.2 0.750 84.2 22.0 -88.3 -39.2 34.4 8.3 27.9 300 149 B Y E -h 258 0B 83 -43,-1.9 -41,-2.8 2,-0.0 2,-0.4 -0.943 68.2-159.6-131.0 141.9 37.7 9.8 26.7 301 150 B V E -h 259 0B 61 -2,-0.3 2,-0.3 -43,-0.2 -41,-0.2 -0.989 15.1-179.9-125.7 136.7 40.4 11.6 28.7 302 151 B V E -h 260 0B 5 -43,-2.2 -41,-2.1 -2,-0.4 2,-0.8 -0.992 36.2-100.3-143.4 152.4 43.0 13.9 27.1 303 152 B D E > -h 261 0B 68 -2,-0.3 3,-0.8 -43,-0.2 -41,-0.2 -0.564 29.9-173.2 -76.7 106.7 45.9 16.1 28.1 304 153 B A T 3 S+ 0 0 1 -43,-3.0 -1,-0.2 -2,-0.8 -42,-0.2 0.311 72.9 80.4 -88.0 4.4 44.7 19.6 28.2 305 154 B T T 3 S+ 0 0 58 -44,-0.3 -1,-0.2 2,-0.1 -43,-0.1 0.824 77.8 88.5 -82.0 -20.8 48.1 21.1 28.8 306 155 B Q S < S- 0 0 55 -3,-0.8 5,-0.0 1,-0.1 0, 0.0 -0.196 98.4 -89.9 -64.3 157.8 48.6 20.7 25.0 307 156 B P >> - 0 0 47 0, 0.0 4,-1.8 0, 0.0 3,-1.3 -0.372 43.1-104.6 -63.3 157.2 47.5 23.7 22.9 308 157 B P H 3> S+ 0 0 31 0, 0.0 4,-2.9 0, 0.0 5,-0.1 0.824 117.1 53.4 -59.4 -44.2 43.9 23.6 21.7 309 158 B A H 3> S+ 0 0 15 -284,-0.3 4,-1.6 1,-0.2 -284,-0.1 0.755 110.8 49.1 -66.9 -26.5 44.5 22.6 18.1 310 159 B A H <> S+ 0 0 24 -3,-1.3 4,-2.6 2,-0.2 -1,-0.2 0.839 108.5 52.4 -76.5 -38.6 46.6 19.6 19.3 311 160 B I H X S+ 0 0 2 -4,-1.8 4,-2.9 2,-0.2 -2,-0.2 0.962 110.5 49.8 -59.4 -49.8 43.9 18.6 21.7 312 161 B V H X S+ 0 0 8 -4,-2.9 4,-2.9 1,-0.2 -2,-0.2 0.892 110.4 48.9 -53.1 -50.3 41.5 18.7 18.8 313 162 B a H X S+ 0 0 27 -4,-1.6 4,-2.1 1,-0.2 -1,-0.2 0.882 113.4 47.0 -55.8 -43.7 43.8 16.6 16.6 314 163 B E H X S+ 0 0 67 -4,-2.6 4,-3.1 2,-0.2 -1,-0.2 0.898 112.7 49.5 -64.3 -44.7 44.2 14.0 19.4 315 164 B L H X S+ 0 0 1 -4,-2.9 4,-3.1 2,-0.2 5,-0.3 0.915 108.1 53.2 -66.6 -38.1 40.5 13.9 20.1 316 165 B M H X>S+ 0 0 11 -4,-2.9 5,-2.2 -5,-0.2 4,-0.8 0.912 113.5 44.2 -63.1 -41.8 39.7 13.4 16.4 317 166 B Q H ><5S+ 0 0 155 -4,-2.1 3,-0.5 3,-0.2 -2,-0.2 0.965 119.4 39.6 -64.8 -53.5 42.1 10.5 16.2 318 167 B T H 3<5S+ 0 0 69 -4,-3.1 -2,-0.2 1,-0.2 -3,-0.2 0.933 122.5 42.3 -67.0 -38.9 41.0 8.8 19.5 319 168 B M H 3<5S- 0 0 17 -4,-3.1 -1,-0.2 -5,-0.2 -2,-0.2 0.582 106.2-127.8 -79.8 -8.8 37.3 9.6 18.9 320 169 B R T <<5 - 0 0 194 -4,-0.8 -3,-0.2 -3,-0.5 -4,-0.1 0.922 46.2-165.2 54.0 54.1 37.4 8.6 15.2 321 170 B L < + 0 0 20 -5,-2.2 -1,-0.2 -6,-0.3 -2,-0.1 -0.867 54.3 6.6-120.0 149.1 35.9 11.8 14.1 322 171 B P 0 0 54 0, 0.0 -1,-0.2 0, 0.0 -6,-0.0 -0.999 360.0 360.0 -82.9 -7.2 34.6 13.1 11.7 323 172 B A 0 0 102 -7,-0.1 0, 0.0 0, 0.0 0, 0.0 0.486 360.0 360.0 -20.3 360.0 34.9 9.6 10.3