==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER UNKNOWN FUNCTION 12-JUL-08 3DSG . COMPND 2 MOLECULE: TYPE IV FIMBRIAE ASSEMBLY PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: XANTHOMONAS CAMPESTRIS PV. CAMPESTRIS; . AUTHOR T.N.LI,K.H.CHIN,J.H.LIU,A.H.J.WANG,S.H.CHOU . 285 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17365.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 191 67.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 5.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 67 23.5 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 . 1 0.4 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 . 28 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 52 18.2 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+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 0 3 0 0 0 0 0 0 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 2 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 0 PARALLEL BRIDGES PER LADDER . 2 1 0 0 6 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 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 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 8 A Q 0 0 202 0, 0.0 41,-0.1 0, 0.0 193,-0.1 0.000 360.0 360.0 360.0 159.2 58.0 20.9 23.6 2 9 A G - 0 0 43 191,-0.2 2,-0.5 39,-0.1 40,-0.5 0.263 360.0 -68.8 83.8 164.2 58.9 22.1 27.1 3 10 A I - 0 0 81 38,-0.1 2,-0.6 40,-0.1 40,-0.2 -0.874 36.7-149.4 -98.2 142.7 59.2 25.3 29.1 4 11 A L E -a 43 0A 6 38,-2.3 40,-2.6 -2,-0.5 2,-0.3 -0.903 18.8-149.1-107.2 114.4 61.8 27.8 28.3 5 12 A S E +a 44 0A 77 -2,-0.6 2,-0.3 38,-0.2 40,-0.2 -0.708 20.5 177.0 -90.0 137.2 62.9 29.8 31.2 6 13 A L E +a 45 0A 17 38,-2.0 40,-3.5 -2,-0.3 2,-0.5 -0.838 2.3 178.7-136.1 105.9 64.2 33.3 31.6 7 14 A A E -a 46 0A 74 -2,-0.3 2,-0.6 38,-0.2 40,-0.2 -0.909 13.1-157.4-113.5 122.6 65.1 34.9 34.9 8 15 A L - 0 0 16 38,-2.9 41,-0.3 -2,-0.5 6,-0.1 -0.867 5.1-164.3-103.3 106.4 66.4 38.3 34.8 9 16 A K - 0 0 178 -2,-0.6 2,-0.3 39,-0.2 40,-0.2 0.762 64.9 -7.1 -56.4 -40.1 68.4 39.4 37.8 10 17 A D S > S- 0 0 67 38,-0.1 4,-2.0 39,-0.0 3,-0.4 -0.954 78.4 -84.2-150.5-178.6 68.5 43.1 37.4 11 18 A K H > S+ 0 0 127 -2,-0.3 4,-2.0 1,-0.3 5,-0.1 0.626 121.6 58.4 -65.3 -25.0 67.6 46.1 35.1 12 19 A A H > S+ 0 0 68 2,-0.2 4,-1.9 3,-0.2 -1,-0.3 0.803 107.4 47.1 -76.6 -41.5 70.7 45.7 33.1 13 20 A A H > S+ 0 0 33 -3,-0.4 4,-2.1 2,-0.2 -2,-0.2 0.998 113.8 47.4 -62.6 -41.8 69.8 42.2 32.2 14 21 A L H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.856 109.9 54.0 -53.3 -59.0 66.4 43.3 31.3 15 22 A Y H < S+ 0 0 175 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.863 112.1 43.7 -54.0 -44.4 67.7 46.2 29.2 16 23 A S H < S+ 0 0 79 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.836 116.1 46.5 -72.3 -33.7 69.9 44.0 27.2 17 24 A A H < S+ 0 0 10 -4,-2.1 11,-2.7 -5,-0.2 -2,-0.2 0.868 90.7 93.6 -69.4 -44.8 67.3 41.2 26.7 18 25 A Y B < -B 27 0A 19 -4,-2.5 9,-0.2 9,-0.2 3,-0.1 -0.106 56.7-162.2 -57.6 133.8 64.4 43.4 25.8 19 26 A X > + 0 0 21 7,-2.3 3,-1.5 1,-0.1 7,-0.2 -0.659 13.0 174.8-121.2 82.1 63.9 44.0 22.0 20 27 A P T 3 S+ 0 0 85 0, 0.0 5,-0.1 0, 0.0 -1,-0.1 0.603 71.2 69.4 -62.4 -24.6 61.7 47.0 21.9 21 28 A F T 3 S+ 0 0 160 -3,-0.1 2,-0.3 2,-0.1 -2,-0.0 0.515 77.7 99.9 -72.9 -8.8 61.9 47.2 18.1 22 29 A V S X S- 0 0 14 -3,-1.5 3,-2.2 1,-0.1 54,-0.1 -0.519 87.1-107.1 -76.8 123.5 59.8 44.0 17.7 23 30 A K T 3 S+ 0 0 170 -2,-0.3 53,-0.2 1,-0.2 -1,-0.1 -0.445 108.1 10.8 -56.1 137.4 56.1 44.5 17.0 24 31 A S T 3 S- 0 0 36 -4,-0.1 -1,-0.2 51,-0.1 52,-0.1 0.456 130.6 -76.0 77.8 -0.2 54.3 43.7 20.1 25 32 A G < - 0 0 0 -3,-2.2 51,-2.2 -5,-0.1 2,-0.3 -0.115 56.2-156.7 88.3 150.2 57.4 43.6 22.0 26 33 A G E - C 0 75A 0 49,-0.2 -7,-2.3 -7,-0.2 2,-0.3 -0.988 5.6-149.2-156.8 174.8 60.0 40.9 22.1 27 34 A I E -BC 18 74A 0 47,-1.8 47,-1.9 -2,-0.3 2,-0.4 -0.979 18.8-123.8-151.2 142.4 62.8 39.4 24.1 28 35 A F E - C 0 73A 11 -11,-2.7 45,-0.3 -2,-0.3 -2,-0.0 -0.657 29.9-163.3 -89.0 133.3 66.1 37.7 23.5 29 36 A V E - C 0 72A 0 43,-3.2 43,-1.9 -2,-0.4 2,-0.1 -0.933 14.3-133.5-125.9 113.9 66.2 34.3 25.2 30 37 A P E + C 0 71A 67 0, 0.0 41,-0.3 0, 0.0 -25,-0.1 -0.395 45.3 136.4 -62.8 139.4 69.4 32.4 25.8 31 38 A T - 0 0 10 39,-1.2 -2,-0.0 2,-0.1 -27,-0.0 -0.910 49.1-149.3-179.1 138.9 69.2 28.7 24.9 32 39 A P + 0 0 117 0, 0.0 39,-0.1 0, 0.0 -1,-0.0 0.470 68.7 109.4 -93.0 -5.1 71.1 26.1 23.2 33 40 A K S S- 0 0 119 37,-0.1 2,-0.5 1,-0.1 -2,-0.1 -0.054 74.6-115.6 -57.4 161.8 68.1 24.3 22.0 34 41 A R + 0 0 241 29,-0.0 2,-0.3 2,-0.0 -1,-0.1 -0.971 38.5 175.4-111.6 117.7 67.4 24.5 18.3 35 42 A Y - 0 0 35 -2,-0.5 2,-0.3 36,-0.1 36,-0.0 -0.927 21.1-133.3-122.3 152.8 64.3 26.3 17.2 36 43 A X > - 0 0 142 -2,-0.3 3,-2.4 27,-0.0 24,-0.3 -0.836 35.8 -89.3-112.6 153.9 62.9 27.2 13.9 37 44 A L T 3 S+ 0 0 118 -2,-0.3 24,-0.2 1,-0.3 3,-0.1 -0.420 113.3 22.7 -62.6 140.6 61.5 30.5 12.7 38 45 A G T 3 S+ 0 0 45 22,-2.6 -1,-0.3 1,-0.3 23,-0.1 -0.005 89.4 141.6 70.8 4.1 57.8 30.7 13.4 39 46 A D < - 0 0 63 -3,-2.4 21,-3.3 21,-0.1 -1,-0.3 -0.283 54.0-118.9 -58.4 155.5 57.8 28.2 16.1 40 47 A E E - D 0 59A 163 19,-0.2 2,-0.4 -3,-0.1 19,-0.2 -0.652 32.8-172.1 -88.4 126.4 55.7 28.6 19.1 41 48 A V E - D 0 58A 9 17,-2.2 17,-2.6 -2,-0.3 2,-0.7 -0.981 20.7-137.5-126.5 137.5 57.7 28.8 22.3 42 49 A F E - D 0 57A 31 -40,-0.5 -38,-2.3 -2,-0.4 2,-0.6 -0.913 27.0-166.4 -95.4 118.6 56.4 28.8 25.8 43 50 A L E -aD 4 56A 0 13,-3.8 13,-2.3 -2,-0.7 2,-0.6 -0.881 16.9-164.1-108.3 127.7 58.3 31.3 27.8 44 51 A L E -aD 5 55A 12 -40,-2.6 -38,-2.0 -2,-0.6 2,-0.5 -0.916 22.9-164.2-103.4 113.6 58.3 31.6 31.5 45 52 A L E -aD 6 54A 0 9,-3.0 9,-2.3 -2,-0.6 2,-0.6 -0.816 14.6-164.7-108.0 116.0 59.7 35.1 32.3 46 53 A T E -a 7 0A 28 -40,-3.5 -38,-2.9 -2,-0.5 7,-0.1 -0.933 15.6-149.6-107.4 118.6 61.0 36.4 35.6 47 54 A L > - 0 0 7 -2,-0.6 3,-2.3 5,-0.5 -36,-0.1 -0.244 34.6 -82.0 -80.6 135.8 61.5 40.1 35.8 48 55 A P T 3 S- 0 0 10 0, 0.0 -1,-0.2 0, 0.0 -39,-0.2 -0.224 111.9 -3.5 -42.4 131.0 64.0 41.8 37.9 49 56 A D T 3 S+ 0 0 170 -41,-0.3 2,-0.2 -40,-0.2 -40,-0.1 0.657 100.2 126.7 66.4 17.5 62.8 42.0 41.4 50 57 A S < - 0 0 49 -3,-2.3 -1,-0.2 1,-0.1 0, 0.0 -0.694 53.2-149.2-101.8 166.9 59.4 40.5 40.9 51 58 A S S S+ 0 0 124 -2,-0.2 2,-0.2 -3,-0.1 -1,-0.1 0.637 75.5 81.0-114.4 16.8 58.1 37.6 42.8 52 59 A E - 0 0 76 -3,-0.1 -5,-0.5 -5,-0.0 2,-0.4 -0.591 68.7-139.5-127.6 146.2 56.0 36.4 39.9 53 60 A R - 0 0 162 -2,-0.2 -7,-0.2 -7,-0.1 -46,-0.0 -0.923 20.5-143.4-112.5 119.4 56.8 34.3 36.8 54 61 A L E -D 45 0A 13 -9,-2.3 -9,-3.0 -2,-0.4 2,-0.3 -0.853 5.4-145.1 -92.4 105.6 55.2 35.5 33.6 55 62 A P E -D 44 0A 27 0, 0.0 2,-0.4 0, 0.0 -11,-0.2 -0.727 19.4-171.9 -81.3 136.3 54.0 33.0 31.1 56 63 A V E -D 43 0A 3 -13,-2.3 -13,-3.8 -2,-0.3 2,-0.9 -0.984 21.8-151.3-129.0 132.9 54.4 34.1 27.5 57 64 A A E +D 42 0A 21 -2,-0.4 2,-0.2 -15,-0.2 -15,-0.2 -0.798 41.8 176.0-102.3 81.8 53.1 32.3 24.5 58 65 A G E -D 41 0A 3 -17,-2.6 -17,-2.2 -2,-0.9 2,-0.4 -0.654 29.7-133.7-104.2 174.9 55.7 33.5 22.1 59 66 A K E -DE 40 75A 109 16,-2.4 16,-2.8 -19,-0.2 2,-0.6 -0.957 24.9-117.2-126.5 137.2 56.8 33.1 18.6 60 67 A V E + E 0 74A 1 -21,-3.3 -22,-2.6 -2,-0.4 14,-0.2 -0.674 40.5 161.0 -69.6 123.8 60.3 32.6 17.3 61 68 A V E + 0 0 52 12,-1.9 2,-0.3 -2,-0.6 13,-0.1 0.356 62.3 17.1-120.2 -9.8 61.3 35.5 15.1 62 69 A W E - E 0 73A 142 11,-0.8 11,-1.8 -26,-0.1 2,-0.4 -0.944 59.5-152.3-173.3 136.5 65.1 35.2 15.0 63 70 A T E - E 0 72A 57 -2,-0.3 9,-0.2 9,-0.2 -29,-0.0 -0.939 6.3-152.3-123.0 140.0 67.8 32.6 15.8 64 71 A T E E 0 71A 38 7,-2.3 7,-1.1 -2,-0.4 -2,-0.0 -0.866 360.0 360.0-116.6 97.3 71.3 33.3 16.8 65 72 A P 0 0 149 0, 0.0 6,-0.1 0, 0.0 -1,-0.1 0.679 360.0 360.0 -53.1 360.0 73.5 30.4 15.7 66 ! 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 67 78 A N 0 0 227 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-166.3 80.1 37.8 24.5 68 79 A R - 0 0 158 2,-0.0 0, 0.0 0, 0.0 0, 0.0 0.923 360.0-130.4 58.5 112.4 76.5 37.3 23.2 69 80 A A - 0 0 55 1,-0.1 2,-0.2 0, 0.0 -40,-0.0 -0.032 19.3 -90.7 -88.1 156.1 75.1 33.9 23.6 70 81 A A S S+ 0 0 49 -40,-0.0 -39,-1.2 -7,-0.0 2,-0.2 -0.587 74.4 90.5 -70.7 140.3 73.3 31.4 21.5 71 82 A G E -CE 30 64A 6 -7,-1.1 -7,-2.3 -41,-0.3 2,-0.3 -0.984 60.1 -67.2 161.8-155.6 69.5 31.7 21.5 72 83 A I E -CE 29 63A 3 -43,-1.9 -43,-3.2 -2,-0.2 2,-0.4 -0.985 21.6-126.9-138.7 148.0 66.3 33.2 20.1 73 84 A G E -CE 28 62A 0 -11,-1.8 -12,-1.9 -2,-0.3 -11,-0.8 -0.775 32.0-160.1 -93.4 113.5 64.3 36.3 19.6 74 85 A V E -CE 27 60A 0 -47,-1.9 -47,-1.8 -2,-0.4 2,-0.3 -0.971 4.3-149.0-103.0 117.5 60.8 35.8 20.9 75 86 A Q E -CE 26 59A 38 -16,-2.8 -16,-2.4 -2,-0.5 -49,-0.2 -0.738 21.5-119.9 -90.6 136.5 58.0 38.0 19.8 76 87 A F - 0 0 4 -51,-2.2 -18,-0.1 -2,-0.3 -51,-0.1 -0.140 32.1-103.7 -68.3 144.0 55.2 38.7 22.3 77 88 A P - 0 0 31 0, 0.0 2,-0.2 0, 0.0 5,-0.2 -0.545 36.7-114.2 -69.6 147.6 51.7 37.6 21.3 78 89 A D S S+ 0 0 124 4,-0.1 3,-0.2 3,-0.1 4,-0.1 -0.495 76.9 47.4 -76.5 154.8 49.4 40.4 20.2 79 90 A G S >> S- 0 0 31 1,-0.2 4,-2.2 -2,-0.2 3,-0.7 -0.338 108.3 -37.6 108.3-173.9 46.5 41.1 22.4 80 91 A P H 3> S+ 0 0 104 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.717 129.7 51.6 -55.7 -55.2 46.0 41.6 26.1 81 92 A E H 3> S+ 0 0 109 -3,-0.2 4,-1.4 2,-0.2 -2,-0.1 0.922 112.9 46.7 -54.6 -26.5 48.4 39.0 27.4 82 93 A G H <> S+ 0 0 1 -3,-0.7 4,-2.3 1,-0.2 5,-0.2 0.907 109.7 52.5 -89.2 -48.1 51.2 40.4 25.3 83 94 A E H X S+ 0 0 97 -4,-2.2 4,-2.7 2,-0.2 -1,-0.2 0.859 104.6 58.8 -55.7 -32.2 50.5 44.0 26.2 84 95 A A H X S+ 0 0 34 -4,-2.2 4,-2.7 -5,-0.2 -2,-0.2 0.945 109.4 41.1 -67.5 -45.3 50.6 43.0 29.8 85 96 A V H X S+ 0 0 9 -4,-1.4 4,-2.1 2,-0.2 5,-0.2 0.859 114.1 54.3 -60.3 -50.9 54.1 41.7 29.6 86 97 A R H X S+ 0 0 63 -4,-2.3 4,-2.5 2,-0.2 5,-0.2 0.930 109.6 47.8 -55.6 -44.1 55.1 44.6 27.4 87 98 A N H X S+ 0 0 73 -4,-2.7 4,-2.6 -5,-0.2 5,-0.3 0.996 106.7 54.1 -78.1 -38.9 53.9 47.0 29.9 88 99 A K H X S+ 0 0 47 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.901 113.7 44.2 -56.3 -41.1 55.5 45.4 32.9 89 100 A I H X S+ 0 0 0 -4,-2.1 4,-1.4 2,-0.2 -1,-0.2 0.899 113.5 49.1 -63.9 -46.2 58.9 45.6 31.1 90 101 A E H X S+ 0 0 81 -4,-2.5 4,-0.9 1,-0.2 3,-0.3 0.915 109.6 51.8 -68.1 -42.0 58.4 49.1 29.8 91 102 A T H >< S+ 0 0 100 -4,-2.6 3,-0.6 1,-0.3 -1,-0.2 0.900 108.7 52.0 -58.7 -43.6 57.4 50.3 33.1 92 103 A L H 3< S+ 0 0 48 -4,-2.0 -1,-0.3 -5,-0.3 -2,-0.2 0.737 114.8 41.6 -61.4 -35.8 60.5 48.8 34.6 93 104 A L H 3< S+ 0 0 44 -4,-1.4 -1,-0.2 -3,-0.3 -2,-0.2 0.508 80.5 133.1 -97.0 -0.8 62.7 50.5 32.1 94 105 A A << 0 0 81 -4,-0.9 -3,-0.1 -3,-0.6 -4,-0.0 -0.238 360.0 360.0 -56.8 115.4 60.9 53.8 32.2 95 106 A G 0 0 145 0, 0.0 -3,-0.0 0, 0.0 0, 0.0 -0.307 360.0 360.0 117.7 360.0 63.6 56.4 32.5 96 !* 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 97 8 B Q 0 0 210 0, 0.0 40,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 171.5 23.9 32.1 38.4 98 9 B G - 0 0 56 2,-0.1 40,-0.5 41,-0.0 2,-0.5 -0.126 360.0 -33.4 67.2-173.9 23.8 31.6 34.6 99 10 B I E -f 138 0B 107 38,-0.1 2,-0.6 40,-0.1 40,-0.2 -0.650 49.6-158.6 -86.4 124.3 26.8 30.6 32.6 100 11 B L E -f 139 0B 8 38,-2.5 40,-2.9 -2,-0.5 2,-0.4 -0.871 20.8-155.7 -93.9 123.2 30.2 31.7 33.6 101 12 B S E +f 140 0B 72 -2,-0.6 2,-0.3 38,-0.2 40,-0.2 -0.885 20.5 178.1-106.5 150.0 32.5 31.5 30.6 102 13 B L E -f 141 0B 19 38,-2.2 40,-2.2 -2,-0.4 2,-0.5 -0.905 2.4-177.6-145.4 112.0 36.2 31.2 30.3 103 14 B A E -f 142 0B 71 -2,-0.3 2,-0.6 38,-0.2 40,-0.2 -0.927 12.7-155.7-114.1 123.3 38.0 31.0 27.0 104 15 B L - 0 0 14 38,-3.2 41,-0.3 -2,-0.5 6,-0.1 -0.941 4.1-164.3-105.2 111.8 41.7 30.5 27.1 105 16 B K + 0 0 155 -2,-0.6 40,-0.3 39,-0.2 2,-0.2 0.927 65.4 1.9 -67.6 -35.2 43.5 31.7 24.0 106 17 B D S >> S- 0 0 22 38,-0.1 4,-1.9 1,-0.1 3,-0.8 -0.761 77.9 -91.2-150.2 173.9 46.8 30.0 24.5 107 18 B K H 3> S+ 0 0 82 1,-0.3 4,-2.0 -2,-0.2 -1,-0.1 0.771 119.6 59.4 -62.6 -29.0 48.9 27.7 26.7 108 19 B A H 3> S+ 0 0 8 2,-0.2 4,-1.5 1,-0.1 -1,-0.3 0.894 105.7 47.6 -61.5 -41.9 50.2 30.5 28.6 109 20 B A H <> S+ 0 0 12 -3,-0.8 4,-2.0 1,-0.2 3,-0.4 0.946 112.3 49.9 -72.8 -36.7 46.7 31.4 29.6 110 21 B L H X S+ 0 0 0 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.806 107.9 54.1 -52.1 -55.2 46.0 27.9 30.5 111 22 B Y H < S+ 0 0 98 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.778 112.0 43.4 -56.9 -41.7 49.0 27.6 32.6 112 23 B S H < S+ 0 0 56 -4,-1.5 -2,-0.2 -3,-0.4 -1,-0.2 0.818 114.5 47.6 -79.5 -37.3 48.2 30.6 34.6 113 24 B A H < S+ 0 0 7 -4,-2.0 11,-2.4 -5,-0.1 -2,-0.2 0.779 91.4 95.1 -69.6 -37.8 44.6 29.8 35.1 114 25 B Y B < -G 123 0B 19 -4,-2.0 9,-0.3 9,-0.2 3,-0.1 -0.290 56.3-161.8 -60.0 129.8 45.1 26.2 36.1 115 26 B X > + 0 0 23 7,-2.3 3,-1.7 58,-0.1 7,-0.3 -0.726 12.6 175.4-121.6 82.4 45.3 25.4 39.9 116 27 B P T 3 S+ 0 0 84 0, 0.0 -1,-0.1 0, 0.0 5,-0.1 0.645 72.8 69.0 -63.0 -19.1 46.9 22.0 40.0 117 28 B F T 3 S+ 0 0 159 -3,-0.1 2,-0.4 2,-0.1 3,-0.0 0.440 77.8 97.4 -73.2 -20.8 47.0 22.1 43.7 118 29 B V S X S- 0 0 20 -3,-1.7 3,-2.4 4,-0.1 57,-0.1 -0.740 87.3-102.0 -75.8 133.8 43.3 21.8 44.1 119 30 B K T 3 S+ 0 0 169 -2,-0.4 56,-0.2 1,-0.3 -1,-0.1 -0.265 108.1 4.5 -54.2 126.7 41.8 18.5 44.8 120 31 B S T 3 S- 0 0 40 54,-0.1 -1,-0.3 -4,-0.1 65,-0.1 0.348 131.4 -72.4 69.1 16.8 40.2 17.1 41.6 121 32 B G < - 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0 0 2 -51,-3.1 -18,-0.1 -2,-0.4 -1,-0.1 -0.333 33.2-102.8 -70.3 146.6 18.7 26.2 8.7 272 88 C P - 0 0 45 0, 0.0 2,-0.4 0, 0.0 6,-0.2 -0.384 33.8-102.4 -72.9 161.2 17.8 29.6 9.6 273 89 C D S S+ 0 0 145 4,-0.1 3,-0.2 3,-0.1 -55,-0.0 -0.661 80.2 30.4 -57.3 129.1 14.4 30.6 10.8 274 90 C G S > S- 0 0 34 -2,-0.4 4,-2.1 1,-0.2 5,-0.2 -0.839 105.3 -30.2 115.0-169.7 12.3 32.4 8.3 275 91 C P H > S+ 0 0 118 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.915 125.6 48.5 -54.2 -46.0 11.7 32.7 4.6 276 92 C E H > S+ 0 0 76 2,-0.2 4,-1.2 -3,-0.2 5,-0.1 0.911 115.3 46.2 -62.6 -38.2 15.1 31.8 3.2 277 93 C G H >> S+ 0 0 1 2,-0.2 4,-2.1 1,-0.2 3,-0.7 0.974 109.6 52.8 -69.1 -47.8 15.4 28.8 5.3 278 94 C E H 3X S+ 0 0 74 -4,-2.1 4,-2.4 1,-0.3 -2,-0.2 0.899 104.8 58.0 -64.2 -30.4 11.9 27.6 4.7 279 95 C A H 3X S+ 0 0 44 -4,-2.1 4,-2.6 1,-0.3 -1,-0.3 0.929 107.9 44.7 -64.8 -43.5 12.6 27.9 1.0 280 96 C V H X S+ 0 0 95 -4,-2.4 4,-1.4 2,-0.2 3,-0.7 0.914 109.1 53.6 -61.6 -33.1 11.4 18.2 0.9 286 102 C T H >< S+ 0 0 103 -4,-3.1 3,-0.9 1,-0.3 -2,-0.2 0.987 108.4 49.4 -66.9 -44.7 10.0 18.3 -2.5 287 103 C L H 3< S+ 0 0 41 -4,-2.4 -1,-0.3 -5,-0.3 -2,-0.2 0.761 110.7 50.3 -64.6 -15.8 12.8 16.4 -3.9 288 104 C L H << S+ 0 0 45 -4,-0.7 -1,-0.2 -3,-0.7 -2,-0.2 0.707 77.6 139.7-107.7 -4.7 12.4 13.8 -1.3 289 105 C A << 0 0 83 -4,-1.4 -3,-0.1 -3,-0.9 -4,-0.0 0.153 360.0 360.0 -31.9 102.3 8.8 13.4 -1.8 290 106 C G 0 0 153 0, 0.0 -3,-0.0 0, 0.0 0, 0.0 -0.433 360.0 360.0 119.2 360.0 7.9 9.8 -1.6