==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-DEC-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PROTEIN TRANSPORT 13-AUG-11 3ZXP . COMPND 2 MOLECULE: BRO1 DOMAIN-CONTAINING PROTEIN BROX; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR Q.ZHAI,M.B.LANDESMAN,W.I.SUNDQUIST,C.P.HILL . 1162 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 52551.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 799 68.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 28 2.4 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 0.1 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 . 46 4.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 96 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 588 50.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 1.4 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 3 0 0 0 0 0 0 0 0 0 3 0 0 0 0 2 4 0 6 3 3 0 3 0 0 3 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 8 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 -3 A D 0 0 64 0, 0.0 2,-0.5 0, 0.0 140,-0.0 0.000 360.0 360.0 360.0 106.7 54.5 48.4 27.7 2 -2 A P - 0 0 74 0, 0.0 136,-0.1 0, 0.0 0, 0.0 -0.761 360.0 -49.9-115.1 84.2 57.4 49.9 29.7 3 -1 A F S > S+ 0 0 179 -2,-0.5 3,-0.7 134,-0.2 135,-0.0 0.556 100.5 121.1 73.6 10.1 60.5 50.4 27.6 4 0 A T T 3 + 0 0 12 1,-0.2 -1,-0.1 198,-0.0 200,-0.1 0.629 57.8 68.7 -85.0 -12.2 60.5 46.9 26.2 5 1 A M T 3 + 0 0 7 132,-0.1 2,-0.6 131,-0.1 -1,-0.2 0.160 62.9 127.2 -96.3 19.9 60.3 47.8 22.5 6 2 A T < + 0 0 33 -3,-0.7 2,-0.3 305,-0.1 129,-0.1 -0.682 34.4 150.2 -77.6 116.6 63.8 49.3 22.2 7 3 A H - 0 0 14 -2,-0.6 2,-0.4 127,-0.4 305,-0.1 -0.920 40.1-142.4-140.2 165.4 65.5 47.5 19.3 8 4 A W - 0 0 10 -2,-0.3 2,-0.5 304,-0.1 -2,-0.0 -0.945 21.3-178.5-134.3 115.8 68.0 48.1 16.5 9 5 A F - 0 0 12 -2,-0.4 2,-0.2 122,-0.1 -2,-0.0 -0.949 21.8-136.8-117.6 123.5 67.4 46.5 13.1 10 6 A H - 0 0 0 -2,-0.5 2,-0.4 232,-0.1 292,-0.1 -0.513 27.0-167.5 -68.8 144.6 69.8 46.8 10.1 11 7 A R - 0 0 11 -2,-0.2 3,-0.1 382,-0.1 113,-0.0 -0.997 14.8-143.9-141.1 132.3 67.9 47.5 6.9 12 8 A N - 0 0 5 -2,-0.4 88,-0.1 1,-0.1 290,-0.1 -0.558 43.2 -84.4 -88.0 159.1 68.9 47.3 3.3 13 9 A P - 0 0 29 0, 0.0 -1,-0.1 0, 0.0 377,-0.0 -0.250 46.6-102.3 -66.7 152.2 67.6 49.9 0.8 14 10 A L - 0 0 9 1,-0.1 2,-0.3 -3,-0.1 375,-0.2 -0.149 40.9-100.8 -58.9 162.8 64.2 49.4 -0.9 15 11 A K - 0 0 2 102,-0.1 2,-0.3 103,-0.1 83,-0.1 -0.665 34.9-149.4 -84.7 146.8 64.1 48.3 -4.5 16 12 A A - 0 0 2 -2,-0.3 81,-2.8 373,-0.1 2,-0.3 -0.906 12.9-166.8-117.3 149.8 63.5 50.9 -7.1 17 13 A T B -A 96 0A 6 370,-0.5 370,-1.3 -2,-0.3 79,-0.2 -0.942 26.2-109.7-136.4 153.7 61.7 50.4 -10.5 18 14 A A - 0 0 1 77,-1.8 77,-0.4 -2,-0.3 368,-0.2 -0.670 49.8-104.1 -77.2 136.3 61.1 52.2 -13.8 19 15 A P - 0 0 82 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.229 32.0-146.3 -60.7 148.7 57.6 53.4 -14.2 20 16 A V - 0 0 11 21,-0.2 25,-0.1 1,-0.1 24,-0.1 -0.983 14.3-167.9-123.9 129.0 55.2 51.4 -16.4 21 17 A S - 0 0 66 -2,-0.4 20,-0.2 2,-0.1 3,-0.1 0.736 27.9-138.9 -81.7 -25.5 52.4 52.9 -18.5 22 18 A F + 0 0 4 1,-0.2 2,-0.6 18,-0.1 19,-0.1 0.903 49.1 157.9 57.1 42.8 50.7 49.6 -19.4 23 19 A N + 0 0 122 18,-0.0 2,-0.4 15,-0.0 -1,-0.2 -0.880 20.6 169.4-104.3 116.3 50.4 51.2 -22.8 24 20 A Y > - 0 0 30 -2,-0.6 4,-1.7 1,-0.2 13,-0.0 -0.773 14.8-165.4-130.1 89.1 49.9 48.9 -25.8 25 21 A Y T 4 S+ 0 0 199 -2,-0.4 3,-0.4 1,-0.2 -1,-0.2 0.859 80.5 18.6 -43.0 -76.4 48.9 51.0 -28.9 26 22 A G T 4 S+ 0 0 26 1,-0.2 -1,-0.2 353,-0.0 352,-0.1 0.811 119.3 64.3 -69.5 -29.9 47.6 48.6 -31.5 27 23 A V T 4 S+ 0 0 19 354,-0.1 351,-3.3 350,-0.1 2,-0.5 0.774 88.9 70.8 -68.9 -31.6 46.8 45.7 -29.1 28 24 A V B < +C 377 0B 29 -4,-1.7 2,-0.4 -3,-0.4 349,-0.2 -0.778 54.2 170.1-105.6 130.4 44.1 47.3 -26.9 29 25 A T > + 0 0 82 347,-1.2 4,-0.5 -2,-0.5 5,-0.1 -0.985 38.4 13.4-135.6 142.8 40.6 48.0 -27.9 30 26 A G H > S- 0 0 43 -2,-0.4 4,-1.3 3,-0.1 5,-0.1 -0.065 84.3 -72.6 91.5 171.2 37.4 49.1 -26.1 31 27 A P H > S+ 0 0 110 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.940 123.3 51.2 -69.1 -50.3 36.4 50.4 -22.7 32 28 A S H > S+ 0 0 50 1,-0.2 4,-1.8 2,-0.2 -2,-0.1 0.923 115.6 39.7 -56.2 -51.1 36.9 47.1 -20.7 33 29 A A H X S+ 0 0 0 -4,-0.5 4,-1.2 1,-0.2 -1,-0.2 0.850 117.2 48.2 -71.0 -36.9 40.4 46.4 -22.0 34 30 A S H X S+ 0 0 45 -4,-1.3 4,-1.5 2,-0.2 -1,-0.2 0.829 108.0 57.1 -73.2 -32.2 41.6 50.0 -21.9 35 31 A K H >X S+ 0 0 104 -4,-2.4 4,-3.1 2,-0.2 3,-0.5 0.956 103.6 51.9 -60.1 -53.1 40.2 50.4 -18.3 36 32 A I H 3X S+ 0 0 1 -4,-1.8 4,-3.0 1,-0.3 -1,-0.2 0.840 107.9 52.4 -55.4 -36.5 42.3 47.5 -17.0 37 33 A C H 3X S+ 0 0 8 -4,-1.2 4,-1.9 2,-0.2 -1,-0.3 0.836 113.0 44.7 -68.9 -32.9 45.4 49.0 -18.4 38 34 A N H < S+ 0 0 2 -4,-1.2 3,-1.7 -3,-0.4 6,-0.3 0.800 87.5 71.5 -68.2 -30.3 53.2 54.2 -0.5 51 47 A F T 3< S+ 0 0 9 -4,-0.9 -1,-0.2 -3,-0.3 -2,-0.2 0.876 109.0 31.8 -53.7 -42.3 56.6 52.6 0.1 52 48 A T T 3 S+ 0 0 72 -4,-0.5 2,-0.8 -3,-0.5 -1,-0.3 0.083 94.4 108.0-105.1 21.4 58.2 56.0 1.0 53 49 A D X - 0 0 56 -3,-1.7 3,-2.7 1,-0.1 -3,-0.0 -0.875 56.6-158.1-101.0 105.5 55.0 57.5 2.5 54 50 A L T 3 S+ 0 0 126 -2,-0.8 -1,-0.1 1,-0.3 -4,-0.1 0.630 89.8 66.8 -57.3 -14.1 55.4 57.7 6.3 55 51 A S T 3 S+ 0 0 73 2,-0.0 -1,-0.3 -5,-0.0 -5,-0.1 0.681 75.1 124.7 -79.5 -15.4 51.6 57.8 6.5 56 52 A C < - 0 0 1 -3,-2.7 3,-0.0 -6,-0.3 -6,-0.0 -0.191 43.2-161.7 -63.5 127.6 51.3 54.2 5.3 57 53 A N > - 0 0 69 1,-0.1 4,-3.0 -2,-0.0 5,-0.2 -0.642 33.1-118.1 -93.5 156.1 49.5 51.6 7.4 58 54 A P H > S+ 0 0 18 0, 0.0 4,-3.0 0, 0.0 5,-0.2 0.901 121.9 54.9 -56.5 -37.6 49.7 47.8 7.0 59 55 A E H > S+ 0 0 135 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.956 110.4 42.1 -58.4 -53.4 46.0 48.2 6.2 60 56 A M H > S+ 0 0 52 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.897 115.8 50.9 -59.7 -42.6 46.7 50.7 3.4 61 57 A M H X S+ 0 0 0 -4,-3.0 4,-2.5 1,-0.2 -2,-0.2 0.925 108.9 50.3 -61.5 -45.9 49.6 48.7 2.2 62 58 A K H X S+ 0 0 115 -4,-3.0 4,-2.2 1,-0.2 -1,-0.2 0.877 112.8 47.7 -61.5 -39.1 47.5 45.5 2.1 63 59 A N H X S+ 0 0 83 -4,-2.0 4,-2.1 -5,-0.2 -2,-0.2 0.932 112.7 46.1 -68.6 -48.0 44.8 47.3 0.1 64 60 A A H X S+ 0 0 12 -4,-2.7 4,-2.0 1,-0.2 5,-0.2 0.872 114.0 50.7 -62.3 -37.0 47.2 48.8 -2.4 65 61 A A H X S+ 0 0 7 -4,-2.5 4,-2.8 -5,-0.2 5,-0.3 0.932 110.0 47.7 -67.5 -47.5 49.0 45.5 -2.8 66 62 A D H X S+ 0 0 47 -4,-2.2 4,-2.5 -5,-0.2 5,-0.3 0.908 110.7 53.5 -58.8 -43.9 45.8 43.4 -3.4 67 63 A S H X S+ 0 0 65 -4,-2.1 4,-1.1 2,-0.2 -2,-0.2 0.950 116.6 35.7 -58.3 -54.8 44.6 46.0 -6.0 68 64 A Y H X S+ 0 0 0 -4,-2.0 4,-2.4 -25,-0.3 3,-0.4 0.958 118.5 50.1 -64.3 -51.6 47.7 45.9 -8.1 69 65 A F H X S+ 0 0 3 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.833 106.8 53.6 -59.4 -39.8 48.5 42.2 -7.7 70 66 A S H < S+ 0 0 21 -4,-2.5 296,-2.6 -5,-0.3 4,-0.4 0.852 113.0 45.6 -64.3 -34.1 45.0 41.0 -8.6 71 67 A L H >< S+ 0 0 8 -4,-1.1 3,-1.1 -3,-0.4 -2,-0.2 0.888 111.2 51.5 -73.3 -40.7 45.3 43.0 -11.8 72 68 A L H >< S+ 0 0 0 -4,-2.4 3,-2.4 1,-0.3 4,-0.4 0.818 94.0 72.8 -67.7 -31.2 48.8 41.8 -12.5 73 69 A Q G >X S+ 0 0 13 -4,-2.1 4,-3.4 1,-0.3 3,-1.7 0.787 85.2 68.8 -51.1 -30.0 47.6 38.1 -12.1 74 70 A G G <4 S+ 0 0 2 -3,-1.1 14,-0.3 -4,-0.4 -1,-0.3 0.710 95.3 53.1 -66.2 -21.3 45.9 38.5 -15.4 75 71 A F G <4 S+ 0 0 0 -3,-2.4 -1,-0.3 -4,-0.2 36,-0.2 0.489 124.0 26.9 -86.2 -7.1 49.3 38.7 -17.1 76 72 A I T <4 S+ 0 0 5 -3,-1.7 10,-1.7 -4,-0.4 -2,-0.2 0.742 109.4 60.8-120.2 -54.3 50.3 35.5 -15.5 77 73 A N S < S- 0 0 53 -4,-3.4 -1,-0.2 8,-0.2 8,-0.2 -0.538 75.2-120.4 -87.2 147.9 47.3 33.2 -14.6 78 74 A S - 0 0 31 6,-0.4 287,-0.1 5,-0.3 8,-0.1 -0.410 3.4-148.9 -76.7 157.4 44.8 31.7 -17.1 79 75 A L S S+ 0 0 55 -2,-0.1 -1,-0.1 1,-0.1 -2,-0.0 0.627 90.3 72.8 -95.3 -19.2 41.1 32.4 -16.8 80 76 A D S S- 0 0 107 1,-0.1 -1,-0.1 3,-0.1 4,-0.1 0.824 91.7-135.1 -60.5 -37.9 40.4 28.9 -18.2 81 77 A E S S+ 0 0 193 2,-0.2 -1,-0.1 3,-0.1 3,-0.1 0.583 100.2 58.7 73.4 15.5 41.3 26.9 -15.2 82 78 A S S S+ 0 0 102 1,-0.2 -4,-0.1 3,-0.0 -1,-0.1 0.424 74.6 80.1-131.9 -84.6 42.9 25.0 -18.1 83 79 A T S S- 0 0 65 1,-0.1 -5,-0.3 -6,-0.1 -2,-0.2 0.112 80.4-114.8 -41.1 145.6 45.4 26.7 -20.4 84 80 A Q S S- 0 0 183 1,-0.2 -6,-0.4 -7,-0.1 2,-0.3 0.948 78.9 -19.8 -50.2 -67.7 48.9 26.9 -19.0 85 81 A E S S- 0 0 59 -8,-0.2 -8,-0.2 1,-0.0 -1,-0.2 -0.956 79.2 -72.8-147.4 159.6 49.4 30.6 -18.6 86 82 A S > - 0 0 6 -10,-1.7 3,-1.1 -2,-0.3 -8,-0.1 -0.143 35.8-130.5 -50.7 144.1 48.1 34.0 -19.8 87 83 A K T 3 S+ 0 0 96 1,-0.2 3,-0.3 2,-0.1 -1,-0.2 0.562 105.1 63.7 -71.7 -6.9 49.0 35.0 -23.3 88 84 A L T > + 0 0 0 -14,-0.3 3,-1.7 1,-0.2 4,-0.5 0.430 64.6 106.3-100.1 -0.5 50.2 38.3 -21.9 89 85 A R T < S+ 0 0 11 -3,-1.1 22,-2.3 1,-0.3 23,-0.2 0.740 87.0 38.3 -53.7 -26.7 53.0 37.1 -19.6 90 86 A Y T 3 S+ 0 0 99 -3,-0.3 -1,-0.3 20,-0.2 -2,-0.1 0.214 86.8 92.5-117.4 17.9 55.7 38.5 -21.9 91 87 A I S < S+ 0 0 41 -3,-1.7 2,-0.4 -16,-0.1 -2,-0.1 0.918 80.2 56.3 -73.6 -44.4 54.4 41.8 -23.3 92 88 A Q - 0 0 19 -4,-0.5 2,-0.3 -3,-0.1 -1,-0.1 -0.774 68.5-146.0-102.2 129.8 55.9 44.2 -20.7 93 89 A N - 0 0 54 -2,-0.4 2,-0.4 16,-0.2 16,-0.3 -0.730 18.7-155.9 -84.3 138.6 59.5 44.6 -19.7 94 90 A F E - B 0 108A 1 14,-2.6 14,-1.7 -2,-0.3 2,-0.5 -0.975 3.0-157.4-124.6 132.7 60.1 45.4 -16.1 95 91 A K E + B 0 107A 37 -2,-0.4 -77,-1.8 -77,-0.4 2,-0.3 -0.932 18.3 166.8-118.6 125.8 63.1 47.2 -14.7 96 92 A W E -AB 17 106A 0 10,-2.7 10,-2.8 -2,-0.5 -79,-0.2 -0.990 27.6-138.6-140.2 143.9 64.3 46.9 -11.0 97 93 A T - 0 0 1 -81,-2.8 2,-0.3 -2,-0.3 6,-0.1 -0.553 29.3-124.7 -87.9 164.6 67.2 47.7 -8.8 98 94 A D > - 0 0 7 6,-0.4 3,-1.2 -2,-0.2 6,-0.1 -0.861 12.3-121.2-116.1 151.8 68.4 45.3 -6.2 99 95 A T T 3 S+ 0 0 1 -2,-0.3 3,-0.4 1,-0.3 -1,-0.1 0.841 112.8 33.2 -55.9 -40.3 68.9 45.8 -2.4 100 96 A L T 3 S+ 0 0 11 76,-0.3 -1,-0.3 1,-0.2 77,-0.1 0.393 110.3 68.1 -98.1 2.1 72.6 44.8 -2.4 101 97 A Q S X S- 0 0 50 -3,-1.2 3,-1.5 1,-0.3 -1,-0.2 0.039 85.1-140.2-118.7 26.8 73.4 46.2 -5.9 102 98 A G T 3 - 0 0 52 -3,-0.4 -1,-0.3 1,-0.2 -4,-0.2 -0.293 68.6 -27.4 58.7-123.9 73.2 50.0 -5.6 103 99 A Q T 3 S+ 0 0 110 -6,-0.1 -1,-0.2 -2,-0.1 283,-0.1 0.373 96.9 120.2-111.3 2.0 71.6 51.6 -8.7 104 100 A V < - 0 0 108 -3,-1.5 -6,-0.4 -6,-0.1 -3,-0.1 -0.591 56.1-148.7 -70.7 107.2 72.6 49.0 -11.3 105 101 A P - 0 0 53 0, 0.0 2,-0.3 0, 0.0 -8,-0.3 -0.246 12.2-156.8 -79.6 163.5 69.1 47.8 -12.6 106 102 A S E -B 96 0A 18 -10,-2.8 -10,-2.7 2,-0.0 2,-0.3 -0.988 12.9-165.5-137.9 144.6 68.1 44.4 -14.0 107 103 A A E -B 95 0A 46 -2,-0.3 2,-0.3 -12,-0.2 -12,-0.2 -0.952 13.3-179.7-137.9 153.1 65.2 43.8 -16.3 108 104 A Q E -B 94 0A 20 -14,-1.7 -14,-2.6 -2,-0.3 2,-1.2 -0.991 31.4-134.0-146.3 143.5 63.0 41.0 -17.7 109 105 A Q S S+ 0 0 108 -2,-0.3 2,-0.4 -16,-0.3 -16,-0.2 -0.490 75.8 107.5 -91.9 63.7 60.1 40.9 -20.1 110 106 A D >> - 0 0 6 -2,-1.2 4,-1.3 -16,-0.1 3,-0.8 -0.962 64.8-148.5-146.7 121.0 58.3 38.6 -17.7 111 107 A A H 3> S+ 0 0 0 -22,-2.3 4,-1.7 -2,-0.4 -35,-0.1 0.640 101.9 62.0 -64.8 -13.6 55.2 39.5 -15.6 112 108 A V H 3> S+ 0 0 0 -23,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.842 98.9 54.0 -80.1 -34.3 56.5 36.9 -13.0 113 109 A F H <> S+ 0 0 7 -3,-0.8 4,-2.4 2,-0.2 -2,-0.2 0.883 111.6 45.8 -60.8 -40.7 59.7 39.0 -12.6 114 110 A E H X S+ 0 0 0 -4,-1.3 4,-2.7 2,-0.2 5,-0.3 0.900 110.2 53.5 -69.0 -41.7 57.5 42.0 -11.8 115 111 A L H X S+ 0 0 1 -4,-1.7 4,-1.9 1,-0.2 -2,-0.2 0.925 115.9 38.7 -60.6 -44.9 55.3 40.0 -9.4 116 112 A I H X S+ 0 0 0 -4,-2.3 4,-3.0 2,-0.2 5,-0.2 0.920 115.5 51.1 -73.4 -44.6 58.2 38.8 -7.4 117 113 A S H X S+ 0 0 0 -4,-2.4 4,-1.9 -5,-0.2 -2,-0.2 0.941 116.6 40.9 -58.8 -48.4 60.2 42.0 -7.5 118 114 A M H X S+ 0 0 0 -4,-2.7 4,-1.9 2,-0.2 -1,-0.2 0.887 114.9 51.9 -66.2 -40.3 57.2 44.0 -6.3 119 115 A G H X S+ 0 0 0 -4,-1.9 4,-2.0 -5,-0.3 -2,-0.2 0.885 108.2 52.5 -62.9 -38.4 56.2 41.3 -3.8 120 116 A F H X S+ 0 0 0 -4,-3.0 4,-2.7 1,-0.2 -1,-0.2 0.912 107.6 51.4 -60.2 -44.5 59.8 41.4 -2.5 121 117 A N H X S+ 0 0 1 -4,-1.9 4,-2.6 1,-0.2 -1,-0.2 0.857 107.3 53.7 -64.7 -34.4 59.5 45.2 -2.1 122 118 A V H X S+ 0 0 4 -4,-1.9 4,-1.7 2,-0.2 -1,-0.2 0.914 110.2 45.4 -66.4 -44.5 56.2 44.7 -0.1 123 119 A A H X S+ 0 0 0 -4,-2.0 4,-1.6 2,-0.2 -2,-0.2 0.939 112.5 52.4 -63.3 -45.4 57.8 42.3 2.3 124 120 A L H X S+ 0 0 1 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234 C Y H <4 S+ 0 0 44 -3,-1.0 -1,-0.3 1,-0.1 4,-0.1 0.435 132.4 43.2-101.8 -0.9 84.1 29.3 85.6 1016 235 C S H S+ 0 0 21 58,-0.3 4,-1.5 -5,-0.3 -1,-0.2 0.914 112.6 50.3 -58.2 -45.3 77.9 32.0 82.2 1019 238 C W H > S+ 0 0 3 1,-0.2 4,-1.7 2,-0.2 3,-0.3 0.909 109.2 50.9 -60.0 -44.4 79.4 30.8 78.9 1020 239 C R H X S+ 0 0 77 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.804 104.1 58.8 -66.5 -29.1 77.1 27.7 78.8 1021 240 C K H X S+ 0 0 50 -4,-1.8 4,-2.5 2,-0.2 -1,-0.2 0.881 105.1 50.5 -64.4 -38.6 74.1 30.0 79.4 1022 241 C Y H X S+ 0 0 0 -4,-1.5 4,-2.1 -3,-0.3 -2,-0.2 0.902 111.7 46.4 -65.7 -42.4 75.0 31.9 76.2 1023 242 C L H X S+ 0 0 0 -4,-1.7 4,-1.7 2,-0.2 -1,-0.2 0.826 113.9 49.7 -68.3 -33.3 75.3 28.7 74.2 1024 243 C H H X S+ 0 0 45 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.907 112.5 45.2 -72.8 -41.3 72.0 27.4 75.6 1025 244 C L H X S+ 0 0 1 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.856 113.8 50.2 -70.9 -34.6 70.1 30.6 74.9 1026 245 C K H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.889 110.3 50.5 -68.2 -39.4 71.6 30.7 71.4 1027 246 C M H X S+ 0 0 28 -4,-1.7 4,-1.5 2,-0.2 -2,-0.2 0.917 114.3 43.5 -63.0 -44.2 70.6 27.1 70.8 1028 247 C C H X S+ 0 0 4 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.892 111.2 56.0 -66.6 -40.8 67.0 27.8 72.0 1029 248 C F H X S+ 0 0 0 -4,-2.6 4,-1.5 1,-0.2 -2,-0.2 0.902 110.9 42.7 -60.0 -43.6 66.9 31.0 70.0 1030 249 C Y H X S+ 0 0 8 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.748 107.0 58.4 -82.0 -21.9 67.8 29.3 66.7 1031 250 C T H X S+ 0 0 29 -4,-1.5 4,-2.6 2,-0.2 5,-0.2 0.884 106.0 53.1 -67.2 -35.6 65.5 26.3 67.3 1032 251 C A H X S+ 0 0 0 -4,-1.8 4,-2.2 1,-0.2 -2,-0.2 0.932 107.6 49.5 -61.5 -46.9 62.8 29.0 67.5 1033 252 C Y H X S+ 0 0 29 -4,-1.5 4,-2.2 1,-0.2 5,-0.3 0.862 110.4 52.2 -55.8 -38.5 64.0 30.3 64.1 1034 253 C A H X S+ 0 0 0 -4,-1.8 4,-2.4 1,-0.2 -2,-0.2 0.929 110.2 45.7 -68.4 -44.4 63.8 26.8 62.8 1035 254 C Y H X S+ 0 0 37 -4,-2.6 4,-1.4 2,-0.2 -1,-0.2 0.854 111.6 54.9 -65.0 -34.7 60.2 26.2 63.9 1036 255 C C H X S+ 0 0 0 -4,-2.2 4,-1.2 -5,-0.2 3,-0.3 0.978 114.8 35.8 -64.7 -56.0 59.2 29.5 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