==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER IMMUNE SYSTEM 07-DEC-12 3W30 . COMPND 2 MOLECULE: ORF169B; . SOURCE 2 ORGANISM_SCIENTIFIC: SHIGELLA FLEXNERI; . AUTHOR A.NISHIDE,M.KIM,K.TAKAGI,C.SASAKAWA,T.MIZUSHIMA . 384 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19983.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 252 65.6 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 . 52 13.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 1.0 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 . 2 0.5 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 . 30 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 45 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 113 29.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 2.1 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 3 1 0 0 2 2 0 2 0 1 0 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 . 6 2 0 4 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 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 21 A N 0 0 178 0, 0.0 2,-0.3 0, 0.0 191,-0.1 0.000 360.0 360.0 360.0 131.8 -8.6 6.8 -20.3 2 22 A V - 0 0 48 56,-0.2 2,-0.6 1,-0.0 56,-0.3 -0.539 360.0-159.4 -86.3 129.8 -7.6 7.6 -16.7 3 23 A N > - 0 0 74 -2,-0.3 4,-1.4 1,-0.1 3,-0.1 -0.900 10.0-176.4-111.9 114.1 -6.3 5.0 -14.3 4 24 A V H > S+ 0 0 18 -2,-0.6 4,-2.5 1,-0.2 5,-0.2 0.842 83.6 60.2 -79.0 -34.4 -6.5 5.7 -10.6 5 25 A K H > S+ 0 0 153 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.859 106.1 53.6 -62.7 -27.2 -4.8 2.6 -9.3 6 26 A K H > S+ 0 0 137 2,-0.2 4,-2.1 1,-0.1 3,-0.3 0.939 108.7 45.2 -69.2 -52.2 -1.8 3.9 -11.4 7 27 A L H X S+ 0 0 48 -4,-1.4 4,-2.8 1,-0.2 5,-0.3 0.956 108.7 57.2 -52.5 -54.4 -1.7 7.4 -9.8 8 28 A L H X S+ 0 0 26 -4,-2.5 4,-1.9 1,-0.3 -1,-0.2 0.775 107.5 48.2 -55.3 -33.3 -2.1 6.0 -6.3 9 29 A E H X S+ 0 0 135 -4,-1.0 4,-0.7 -3,-0.3 -1,-0.3 0.966 112.9 46.6 -70.0 -55.0 1.0 3.9 -6.8 10 30 A S H >< S+ 0 0 70 -4,-2.1 3,-2.6 1,-0.2 -2,-0.2 0.967 113.7 49.8 -47.1 -63.7 3.1 6.7 -8.1 11 31 A L H >< S+ 0 0 4 -4,-2.8 3,-0.6 1,-0.3 5,-0.3 0.872 108.2 52.0 -39.5 -54.7 1.9 9.0 -5.3 12 32 A N H 3< S+ 0 0 65 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.518 97.6 69.7 -73.2 -3.3 2.7 6.5 -2.6 13 33 A S T << S+ 0 0 106 -3,-2.6 2,-0.3 -4,-0.7 -1,-0.3 -0.253 88.7 86.7-101.8 44.3 6.2 6.2 -4.0 14 34 A K S < S- 0 0 91 -3,-0.6 2,-1.2 2,-0.1 7,-0.1 -0.960 84.0-114.0-140.7 158.0 7.2 9.7 -2.9 15 35 A S S S+ 0 0 138 -2,-0.3 2,-0.3 2,-0.0 -3,-0.1 -0.283 72.7 127.7 -86.3 49.8 8.7 11.5 0.2 16 36 A L - 0 0 64 -2,-1.2 -2,-0.1 -5,-0.3 2,-0.1 -0.762 61.6-111.0-108.9 153.3 5.5 13.5 0.8 17 37 A G > - 0 0 39 -2,-0.3 4,-2.8 1,-0.1 5,-0.2 -0.421 37.0-104.1 -75.4 157.1 3.3 13.9 3.9 18 38 A D H > S+ 0 0 73 1,-0.2 4,-1.3 2,-0.2 -1,-0.1 0.752 124.0 49.9 -52.1 -27.1 -0.1 12.3 4.0 19 39 A M H > S+ 0 0 43 2,-0.2 4,-3.4 3,-0.1 5,-0.2 0.936 109.5 49.1 -81.6 -46.1 -1.6 15.8 3.4 20 40 A D H > S+ 0 0 84 1,-0.2 4,-1.5 2,-0.2 -2,-0.2 0.958 109.8 52.8 -48.8 -57.0 0.6 16.6 0.4 21 41 A K H X S+ 0 0 17 -4,-2.8 4,-2.0 1,-0.2 -1,-0.2 0.863 114.3 42.4 -49.6 -43.4 -0.3 13.3 -1.1 22 42 A D H X S+ 0 0 1 -4,-1.3 4,-2.4 -5,-0.2 5,-0.3 0.908 111.1 54.1 -68.6 -42.9 -4.0 14.1 -0.7 23 43 A S H X S+ 0 0 53 -4,-3.4 4,-0.8 1,-0.2 -1,-0.2 0.735 112.2 48.7 -63.9 -18.8 -3.5 17.7 -1.8 24 44 A E H X S+ 0 0 86 -4,-1.5 4,-1.5 -5,-0.2 -2,-0.2 0.912 111.1 42.5 -90.2 -52.2 -1.9 16.2 -4.9 25 45 A L H X S+ 0 0 2 -4,-2.0 4,-3.4 2,-0.2 3,-0.5 0.948 116.4 51.8 -59.8 -50.1 -4.3 13.6 -6.0 26 46 A A H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.3 -1,-0.2 0.852 109.3 48.6 -54.3 -41.2 -7.2 15.9 -5.3 27 47 A A H X S+ 0 0 38 -4,-0.8 4,-0.8 -5,-0.3 -1,-0.3 0.805 114.3 48.0 -71.3 -27.0 -5.6 18.7 -7.4 28 48 A T H >X S+ 0 0 41 -4,-1.5 3,-1.3 -3,-0.5 4,-0.8 0.975 114.6 43.3 -72.1 -62.3 -5.1 16.1 -10.2 29 49 A L H >X S+ 0 0 0 -4,-3.4 4,-3.2 1,-0.3 3,-0.8 0.810 106.6 64.9 -51.3 -34.9 -8.6 14.7 -10.0 30 50 A Q H 3X S+ 0 0 49 -4,-2.1 4,-1.5 -5,-0.3 7,-0.3 0.846 94.2 57.5 -65.3 -32.2 -10.0 18.3 -9.8 31 51 A K H << S+ 0 0 137 -3,-1.3 -1,-0.2 -4,-0.8 -2,-0.2 0.796 118.7 32.8 -68.7 -21.8 -8.7 19.2 -13.3 32 52 A M H << S+ 0 0 28 -3,-0.8 -2,-0.2 -4,-0.8 -1,-0.2 0.838 126.2 38.3 -96.6 -43.7 -10.8 16.4 -14.7 33 53 A I H < S+ 0 0 3 -4,-3.2 28,-2.2 1,-0.2 -3,-0.2 0.920 135.7 18.3 -75.1 -45.2 -13.8 16.2 -12.4 34 54 A N >< + 0 0 20 -4,-1.5 3,-2.6 -5,-0.4 -1,-0.2 -0.389 69.5 155.4-125.2 57.0 -14.2 20.0 -11.9 35 55 A P T 3 S+ 0 0 73 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.823 73.9 62.2 -51.8 -34.9 -12.3 21.6 -14.8 36 56 A S T 3 S- 0 0 99 -3,-0.2 3,-0.2 1,-0.1 -5,-0.1 0.541 97.4-137.1 -65.2 -13.1 -14.5 24.6 -14.4 37 57 A G < + 0 0 35 -3,-2.6 2,-0.4 -7,-0.3 -1,-0.1 0.866 37.2 179.5 47.2 37.0 -13.3 25.4 -10.9 38 58 A G - 0 0 28 1,-0.1 2,-0.3 -4,-0.1 -1,-0.2 -0.568 23.2-159.8 -67.5 121.9 -17.0 26.0 -10.2 39 59 A D + 0 0 137 -2,-0.4 -1,-0.1 -3,-0.2 3,-0.1 -0.408 54.6 114.7 -96.8 52.1 -17.3 27.0 -6.5 40 60 A G S S- 0 0 40 -2,-0.3 2,-0.4 1,-0.2 23,-0.0 0.291 81.6 -28.2 -90.9-140.1 -21.1 26.1 -6.5 41 61 A N - 0 0 104 1,-0.1 3,-0.4 84,-0.1 4,-0.3 -0.715 60.9-156.6 -86.8 134.2 -22.7 23.3 -4.6 42 62 A A > + 0 0 4 -2,-0.4 4,-2.4 1,-0.2 5,-0.1 0.245 66.2 94.1-110.0 7.2 -20.1 20.6 -4.0 43 63 A S H > S+ 0 0 5 2,-0.2 4,-2.1 3,-0.2 5,-0.2 0.885 86.0 60.3 -58.6 -40.1 -21.9 17.2 -3.4 44 64 A G H > S+ 0 0 1 -3,-0.4 4,-1.5 2,-0.2 3,-0.4 0.966 110.7 38.0 -52.8 -64.2 -21.6 16.5 -7.1 45 65 A C H >> S+ 0 0 9 -4,-0.3 4,-2.2 1,-0.2 3,-0.9 0.953 111.4 57.8 -45.0 -65.6 -17.8 16.7 -7.0 46 66 A A H 3X S+ 0 0 3 -4,-2.4 4,-1.4 1,-0.3 -1,-0.2 0.824 110.7 45.6 -39.3 -39.2 -17.5 14.9 -3.6 47 67 A L H 3X S+ 0 0 0 -4,-2.1 4,-3.0 -3,-0.4 -1,-0.3 0.801 106.8 55.1 -82.4 -30.4 -19.4 11.9 -5.1 48 68 A H H <>S+ 0 0 0 -4,-3.0 5,-2.4 1,-0.2 3,-0.6 0.944 114.1 46.7 -50.0 -49.5 -17.0 7.0 -7.9 52 72 A A H ><5S+ 0 0 0 -4,-3.0 3,-1.7 1,-0.2 5,-0.3 0.933 109.8 51.5 -62.6 -47.9 -13.5 7.5 -9.2 53 73 A M H 3<5S+ 0 0 17 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.726 107.0 54.6 -61.5 -22.6 -11.8 6.0 -6.1 54 74 A L T <<5S- 0 0 63 -4,-1.8 -1,-0.3 -3,-0.6 -2,-0.2 0.540 121.7-106.4 -89.4 -3.8 -14.0 2.9 -6.4 55 75 A G T < 5S+ 0 0 63 -3,-1.7 -3,-0.2 -4,-0.4 -2,-0.1 0.647 85.0 125.7 91.7 17.2 -12.8 2.4 -9.9 56 76 A Y S > - 0 0 58 -3,-0.1 3,-1.9 -19,-0.1 4,-1.2 -0.464 37.1 -85.3 -91.9 175.7 -22.7 21.4 -13.3 64 84 A P G >4 S+ 0 0 109 0, 0.0 3,-0.8 0, 0.0 2,-0.4 0.919 131.7 47.7 -49.8 -43.4 -25.0 23.8 -11.5 65 85 A N G 34 S+ 0 0 132 1,-0.2 -2,-0.0 2,-0.1 0, 0.0 -0.132 109.1 54.4 -91.2 43.0 -27.8 23.2 -14.1 66 86 A E G X> S+ 0 0 56 -3,-1.9 3,-2.2 -2,-0.4 4,-0.7 0.369 76.6 91.1-136.0 -13.0 -27.4 19.4 -13.9 67 87 A I T <<>S+ 0 0 22 -4,-1.2 5,-0.9 -3,-0.8 6,-0.1 0.620 80.3 69.1 -56.5 -8.1 -27.8 19.1 -10.2 68 88 A S T 345S+ 0 0 89 1,-0.2 -1,-0.3 3,-0.2 -3,-0.1 0.746 89.8 56.6 -86.0 -25.4 -31.5 18.6 -11.1 69 89 A E T <45S- 0 0 97 -3,-2.2 -1,-0.2 3,-0.1 -2,-0.2 0.811 133.2 -17.9 -74.1 -32.2 -31.2 15.2 -12.9 70 90 A Y T ><5S+ 0 0 40 -4,-0.7 3,-1.2 115,-0.1 -3,-0.1 0.615 124.9 57.6-142.2 -52.1 -29.7 13.4 -9.9 71 91 A M G > 5S+ 0 0 9 -5,-0.3 3,-0.7 1,-0.3 4,-0.4 0.554 86.4 83.8 -72.7 -8.3 -28.1 15.2 -6.9 72 92 A T G 3 S+ 0 0 23 -4,-0.4 3,-3.1 1,-0.2 4,-0.2 0.336 73.8 111.5 -91.5 5.2 -29.1 12.4 0.2 76 96 A H G X S+ 0 0 109 -3,-0.6 3,-1.0 1,-0.3 4,-0.2 0.828 78.0 55.9 -54.3 -34.3 -32.8 11.8 1.2 77 97 A R G 3 S+ 0 0 155 -3,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.384 116.7 37.8 -75.4 2.5 -31.9 8.5 2.7 78 98 A H G <> S+ 0 0 32 -3,-3.1 4,-1.4 2,-0.1 -1,-0.2 0.144 72.9 114.6-143.4 10.0 -29.3 10.3 4.9 79 99 A L H <> S+ 0 0 103 -3,-1.0 4,-2.2 -4,-0.2 -2,-0.1 0.775 78.8 56.2 -62.3 -25.5 -30.7 13.7 5.9 80 100 A E H 4 S+ 0 0 175 -4,-0.2 4,-0.3 2,-0.2 -1,-0.2 0.916 108.1 45.4 -70.9 -44.2 -30.8 12.6 9.6 81 101 A Q H 4 S+ 0 0 94 2,-0.2 -2,-0.2 1,-0.2 -1,-0.2 0.735 116.4 46.7 -75.3 -23.5 -27.1 11.8 9.8 82 102 A I H < S+ 0 0 11 -4,-1.4 -2,-0.2 1,-0.2 -1,-0.2 0.918 109.3 52.1 -78.6 -49.4 -26.3 15.0 8.0 83 103 A D S < S+ 0 0 134 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.556 101.6 103.1 -55.1 -12.0 -28.6 17.1 10.2 84 104 A S S S- 0 0 31 -4,-0.3 38,-0.1 -5,-0.1 -3,-0.1 0.092 84.8-114.6 -78.6-175.2 -26.7 15.4 13.0 85 105 A E + 0 0 142 1,-0.1 82,-0.3 36,-0.1 36,-0.1 0.859 52.1 169.9 -89.0 -41.9 -23.9 16.6 15.4 86 106 A G - 0 0 37 80,-0.1 2,-0.8 1,-0.1 82,-0.2 -0.260 50.9 -11.9 73.3-154.9 -21.2 14.2 14.1 87 107 A I E S-B 167 0B 25 80,-3.0 80,-1.6 15,-0.0 2,-0.4 -0.797 75.0-154.7 -86.7 108.1 -17.6 14.3 15.0 88 108 A V E -B 166 0B 37 -2,-0.8 78,-0.2 78,-0.2 -2,-0.1 -0.744 15.1-108.8 -95.6 135.0 -16.9 17.6 16.8 89 109 A S - 0 0 9 76,-3.0 75,-0.3 -2,-0.4 -1,-0.1 -0.058 27.8-133.2 -35.4 139.5 -13.7 19.5 17.0 90 110 A H > - 0 0 99 4,-0.1 3,-1.0 73,-0.1 2,-0.2 -0.637 29.4 -97.0 -97.0 164.5 -11.7 19.7 20.3 91 111 A P T 3 S+ 0 0 108 0, 0.0 3,-0.1 0, 0.0 71,-0.1 -0.626 110.0 14.7 -81.4 146.0 -10.3 23.0 21.7 92 112 A N T 3 S+ 0 0 135 69,-0.3 2,-0.4 1,-0.3 70,-0.1 0.536 92.8 142.4 65.0 5.2 -6.5 23.5 20.9 93 113 A E < - 0 0 16 -3,-1.0 68,-2.8 68,-0.2 -1,-0.3 -0.633 43.8-142.1 -75.6 132.3 -6.9 20.8 18.3 94 114 A T B > -F 160 0C 31 -2,-0.4 4,-2.0 66,-0.2 66,-0.2 -0.380 24.4-104.2 -87.5 173.0 -4.9 21.6 15.3 95 115 A Y H > S+ 0 0 8 64,-1.6 4,-2.5 62,-0.6 63,-0.2 0.906 121.1 49.8 -65.1 -43.1 -6.0 20.9 11.7 96 116 A S H > S+ 0 0 42 61,-2.9 4,-1.3 2,-0.2 -1,-0.2 0.886 111.9 48.7 -62.6 -43.2 -3.6 17.9 11.4 97 117 A K H > S+ 0 0 111 60,-0.4 4,-2.6 2,-0.2 5,-0.2 0.905 112.0 47.2 -65.0 -49.9 -4.8 16.4 14.7 98 118 A F H X S+ 0 0 0 -4,-2.0 4,-2.8 2,-0.2 3,-0.4 0.987 111.4 51.0 -54.3 -60.5 -8.5 16.8 13.9 99 119 A R H X S+ 0 0 20 -4,-2.5 4,-1.6 1,-0.2 -1,-0.2 0.778 112.5 49.1 -46.1 -35.0 -8.0 15.3 10.4 100 120 A E H X S+ 0 0 93 -4,-1.3 4,-2.3 2,-0.2 -1,-0.2 0.872 110.7 46.7 -78.8 -44.2 -6.2 12.4 12.0 101 121 A R H X S+ 0 0 54 -4,-2.6 4,-1.4 -3,-0.4 -2,-0.2 0.835 113.0 51.1 -63.9 -35.8 -8.9 11.7 14.6 102 122 A I H X S+ 0 0 0 -4,-2.8 4,-1.8 -5,-0.2 -2,-0.2 0.906 110.9 49.4 -66.7 -41.2 -11.5 11.9 11.9 103 123 A A H X S+ 0 0 11 -4,-1.6 4,-2.9 -5,-0.3 -2,-0.2 0.941 108.2 51.0 -62.8 -45.9 -9.5 9.4 9.9 104 124 A E H X S+ 0 0 102 -4,-2.3 4,-1.1 1,-0.3 -1,-0.2 0.795 109.6 51.8 -70.2 -25.9 -9.1 6.9 12.7 105 125 A N H X S+ 0 0 60 -4,-1.4 4,-0.6 2,-0.2 -1,-0.3 0.888 110.6 47.6 -72.6 -40.6 -12.8 7.0 13.3 106 126 A I H >X S+ 0 0 1 -4,-1.8 3,-1.5 1,-0.2 4,-1.0 0.939 108.7 54.3 -63.5 -45.8 -13.4 6.3 9.7 107 127 A L H 3< S+ 0 0 58 -4,-2.9 3,-0.3 1,-0.3 -1,-0.2 0.828 104.0 57.8 -58.9 -30.3 -10.9 3.4 9.6 108 128 A Q H 3< S+ 0 0 155 -4,-1.1 -1,-0.3 -5,-0.2 -2,-0.2 0.717 115.5 33.4 -70.4 -24.8 -12.8 1.8 12.5 109 129 A N H << S+ 0 0 103 -3,-1.5 2,-0.3 -4,-0.6 -1,-0.2 0.346 117.2 53.3-117.5 3.8 -16.0 1.7 10.6 110 130 A T < - 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0 0 63 -2,-0.8 -2,-0.2 -5,-0.2 2,-0.1 -0.808 64.5-118.5 -97.4 149.5 32.3 13.5 -41.6 210 37 B G > - 0 0 44 -2,-0.3 4,-2.0 1,-0.1 5,-0.1 -0.301 39.0 -96.5 -74.4 168.7 30.3 13.6 -38.4 211 38 B D H > S+ 0 0 75 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.735 122.0 52.7 -70.4 -24.7 26.7 12.3 -38.5 212 39 B M H > S+ 0 0 42 2,-0.2 4,-3.4 1,-0.2 -1,-0.2 0.936 110.6 46.2 -74.4 -48.5 25.1 15.8 -38.9 213 40 B D H > S+ 0 0 96 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.875 110.2 57.4 -55.1 -35.8 27.3 16.6 -41.9 214 41 B K H X S+ 0 0 24 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.947 113.8 36.6 -62.7 -45.4 26.4 13.1 -43.2 215 42 B D H X S+ 0 0 0 -4,-1.7 4,-2.5 1,-0.2 5,-0.3 0.919 112.8 58.5 -72.5 -42.8 22.7 13.9 -43.1 216 43 B S H X S+ 0 0 43 -4,-3.4 4,-1.6 1,-0.2 -1,-0.2 0.884 106.7 50.0 -53.6 -40.0 23.2 17.5 -44.2 217 44 B E H X S+ 0 0 83 -4,-2.3 4,-2.1 -5,-0.2 -1,-0.2 0.971 110.8 45.9 -63.9 -57.9 24.8 16.1 -47.4 218 45 B L H X S+ 0 0 2 -4,-1.7 4,-3.1 1,-0.3 3,-0.4 0.944 112.9 49.7 -51.4 -56.2 22.1 13.6 -48.3 219 46 B A H X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.2 -1,-0.3 0.886 111.0 52.8 -44.9 -42.8 19.3 16.1 -47.7 220 47 B A H X S+ 0 0 31 -4,-1.6 4,-0.6 -5,-0.3 -1,-0.2 0.876 112.7 42.2 -68.0 -38.5 21.3 18.5 -49.9 221 48 B T H >< S+ 0 0 44 -4,-2.1 3,-1.0 -3,-0.4 4,-0.4 0.964 118.6 44.0 -70.7 -55.8 21.6 16.0 -52.8 222 49 B L H >X S+ 0 0 0 -4,-3.1 3,-3.0 1,-0.2 4,-2.2 0.917 105.1 62.3 -55.8 -48.4 18.1 14.8 -52.6 223 50 B Q H 3X S+ 0 0 42 -4,-2.8 4,-1.5 -5,-0.3 7,-0.3 0.760 96.0 61.4 -52.5 -27.3 16.6 18.3 -52.2 224 51 B K H << S+ 0 0 149 -3,-1.0 -1,-0.3 -4,-0.6 -2,-0.2 0.679 117.3 29.8 -76.5 -14.7 18.0 19.2 -55.6 225 52 B M H <4 S+ 0 0 34 -3,-3.0 -2,-0.2 -4,-0.4 -1,-0.2 0.595 126.7 40.3-112.3 -21.5 15.8 16.4 -57.1 226 53 B I H < S+ 0 0 1 -4,-2.2 28,-2.9 27,-0.2 -3,-0.2 0.735 133.0 23.1 -98.0 -29.9 12.8 16.4 -54.7 227 54 B N S >< S+ 0 0 16 -4,-1.5 3,-2.6 -5,-0.4 -1,-0.1 -0.334 70.4 156.7-131.8 54.6 12.6 20.1 -54.3 228 55 B P T 3 S+ 0 0 68 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.883 76.5 53.7 -49.4 -45.5 14.3 21.5 -57.4 229 56 B S T 3 S- 0 0 93 1,-0.1 3,-0.1 -3,-0.1 -5,-0.1 0.246 100.5-135.7 -77.0 17.8 12.4 24.8 -57.2 230 57 B G < + 0 0 37 -3,-2.6 -1,-0.1 -7,-0.3 -3,-0.0 0.492 40.4 175.3 43.3 6.8 13.6 25.2 -53.6 231 58 B G - 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