==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-FEB-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SIGNALING PROTEIN 26-NOV-11 4A9M . COMPND 2 MOLECULE: BROMODOMAIN CONTAINING 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.CHUNG,P.BAMBOROUGH . 333 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18097.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 235 70.6 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 . 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 . 10 3.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 158 47.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 4.5 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 3 0 1 2 3 3 0 0 0 0 0 0 0 1 5 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 . 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 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 75 A V 0 0 72 0, 0.0 2,-0.3 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 129.4 6.1 -1.6 15.3 2 76 A T > - 0 0 10 110,-0.2 4,-1.4 1,-0.0 110,-0.2 -0.871 360.0-106.3-129.9 172.3 8.6 -0.2 17.8 3 77 A N H > S+ 0 0 31 108,-1.2 4,-1.5 -2,-0.3 107,-0.1 0.869 119.7 51.6 -61.6 -38.6 8.9 3.3 19.3 4 78 A Q H > S+ 0 0 5 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.898 106.4 51.6 -69.9 -44.7 12.0 3.9 17.1 5 79 A L H > S+ 0 0 13 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.821 108.6 52.1 -62.2 -33.7 10.4 2.9 13.8 6 80 A Q H X S+ 0 0 31 -4,-1.4 4,-3.1 2,-0.2 5,-0.3 0.866 109.3 50.1 -70.6 -35.3 7.4 5.3 14.5 7 81 A Y H X>S+ 0 0 9 -4,-1.5 4,-3.1 2,-0.2 5,-1.5 0.956 110.4 49.8 -62.8 -49.7 9.9 8.1 15.1 8 82 A L H <>S+ 0 0 0 -4,-2.7 5,-3.4 3,-0.2 6,-0.2 0.832 117.6 41.6 -57.7 -35.0 11.6 7.2 11.8 9 83 A H H <>S+ 0 0 42 -4,-1.8 5,-1.0 3,-0.2 -2,-0.2 0.948 123.9 33.5 -76.0 -52.3 8.2 7.2 10.0 10 84 A K H <5S+ 0 0 69 -4,-3.1 -3,-0.2 3,-0.2 -2,-0.2 0.766 135.3 20.4 -81.2 -28.9 6.7 10.3 11.7 11 85 A V T X5S+ 0 0 17 -4,-3.1 4,-1.8 -5,-0.3 -3,-0.2 0.828 130.0 33.9-104.2 -54.3 9.8 12.5 12.1 12 86 A V H >< S+ 0 0 0 -4,-2.6 3,-1.0 1,-0.2 -2,-0.2 0.890 108.3 57.5 -71.2 -41.7 12.9 13.8 4.2 17 91 A W H 3< S+ 0 0 72 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.817 111.1 41.0 -60.3 -37.3 9.9 13.0 1.9 18 92 A K T 3< S+ 0 0 145 -4,-1.1 -1,-0.3 -5,-0.3 -2,-0.2 0.381 87.5 120.7 -97.5 2.3 8.6 16.5 1.5 19 93 A H S X S- 0 0 40 -3,-1.0 3,-1.4 -4,-0.3 4,-0.3 -0.323 72.0-121.9 -66.8 148.5 12.1 18.2 1.1 20 94 A Q T 3 S+ 0 0 147 1,-0.3 3,-0.3 2,-0.1 -1,-0.1 0.688 113.2 49.3 -66.0 -18.3 12.8 20.1 -2.1 21 95 A F T 3 S+ 0 0 57 1,-0.2 -1,-0.3 70,-0.1 4,-0.1 0.401 90.5 85.8 -98.5 -1.1 15.8 17.9 -2.9 22 96 A A X + 0 0 0 -3,-1.4 3,-2.5 1,-0.2 4,-0.4 0.715 59.4 89.7 -73.8 -25.4 13.9 14.6 -2.3 23 97 A W G > S+ 0 0 158 -4,-0.3 3,-1.1 1,-0.3 4,-0.3 0.802 84.3 52.5 -52.7 -40.6 12.3 14.1 -5.7 24 98 A P G 3 S+ 0 0 32 0, 0.0 -1,-0.3 0, 0.0 3,-0.2 0.683 114.0 46.4 -66.3 -12.3 15.2 12.1 -7.3 25 99 A F G < S+ 0 0 15 -3,-2.5 24,-2.8 -4,-0.1 25,-0.6 0.364 84.9 90.2-109.4 2.7 15.0 9.7 -4.3 26 100 A R S < S+ 0 0 73 -3,-1.1 -1,-0.1 -4,-0.4 -3,-0.1 0.696 96.6 21.8 -79.1 -16.1 11.2 9.1 -4.1 27 101 A Q S S- 0 0 100 -4,-0.3 22,-0.2 -3,-0.2 3,-0.1 -0.951 101.3 -70.5-146.1 158.2 11.2 6.1 -6.4 28 102 A P - 0 0 75 0, 0.0 2,-0.3 0, 0.0 20,-0.1 -0.118 59.7 -93.6 -50.4 143.3 13.7 3.5 -7.6 29 103 A V - 0 0 40 18,-0.2 2,-0.9 1,-0.1 -4,-0.0 -0.459 37.2-149.3 -55.7 119.6 16.5 4.6 -9.9 30 104 A D > - 0 0 81 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 -0.819 13.4-172.6 -99.7 96.4 15.1 3.9 -13.4 31 105 A A T 4>S+ 0 0 15 -2,-0.9 5,-2.8 2,-0.2 4,-0.5 0.768 81.6 50.1 -64.0 -33.2 18.2 3.1 -15.4 32 106 A V T >45S+ 0 0 137 3,-0.2 3,-0.9 2,-0.2 -1,-0.2 0.965 114.4 44.2 -67.2 -54.8 16.5 3.0 -18.8 33 107 A K T 345S+ 0 0 166 1,-0.2 -2,-0.2 2,-0.1 -1,-0.1 0.909 118.1 44.5 -53.8 -46.0 14.7 6.3 -18.3 34 108 A L T 3<5S- 0 0 97 -4,-2.8 -1,-0.2 2,-0.1 -2,-0.2 0.515 109.2-123.3 -84.5 -3.6 17.9 8.0 -16.9 35 109 A G T < 5 + 0 0 55 -3,-0.9 -3,-0.2 -4,-0.5 -4,-0.1 0.897 64.5 138.3 65.8 43.6 20.1 6.5 -19.7 36 110 A L > < + 0 0 43 -5,-2.8 3,-1.7 1,-0.1 4,-0.3 -0.722 21.6 171.6-121.7 78.1 22.5 4.8 -17.2 37 111 A P T 3 S+ 0 0 117 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.637 80.1 48.9 -67.5 -15.3 23.2 1.3 -18.7 38 112 A D T >> S+ 0 0 61 1,-0.1 4,-1.5 2,-0.1 3,-0.7 0.437 81.7 100.6 -98.9 -2.4 26.0 0.5 -16.1 39 113 A Y H X> S+ 0 0 11 -3,-1.7 4,-3.1 1,-0.3 3,-0.5 0.908 86.0 39.9 -53.5 -55.0 23.9 1.5 -13.0 40 114 A H H 34 S+ 0 0 96 -4,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.645 110.3 61.3 -72.9 -14.7 22.9 -2.0 -11.8 41 115 A K H <4 S+ 0 0 157 -3,-0.7 -1,-0.2 -4,-0.1 -2,-0.2 0.808 117.0 30.4 -73.6 -34.1 26.4 -3.3 -12.7 42 116 A I H << S+ 0 0 62 -4,-1.5 2,-0.7 -3,-0.5 -2,-0.2 0.861 119.5 55.7 -91.9 -42.6 27.9 -0.9 -10.2 43 117 A I < + 0 0 4 -4,-3.1 -1,-0.2 -5,-0.3 34,-0.0 -0.823 57.6 174.7-101.5 112.6 25.0 -0.7 -7.7 44 118 A K S S+ 0 0 154 -2,-0.7 -1,-0.1 1,-0.3 -4,-0.1 0.661 74.4 40.4 -97.6 -20.6 23.9 -4.1 -6.3 45 119 A Q S S- 0 0 129 28,-0.1 -1,-0.3 2,-0.0 32,-0.1 -0.744 76.9-164.0-125.3 84.0 21.4 -3.1 -3.7 46 120 A P + 0 0 52 0, 0.0 2,-0.3 0, 0.0 28,-0.1 -0.316 14.3 177.8 -59.9 151.9 19.3 -0.2 -5.2 47 121 A M + 0 0 22 27,-0.1 2,-0.3 26,-0.1 -18,-0.2 -0.977 9.1 171.4-157.9 150.0 17.3 1.6 -2.5 48 122 A D > - 0 0 7 -2,-0.3 4,-2.1 -22,-0.1 -22,-0.2 -0.963 44.8-104.4-156.8 164.6 14.9 4.7 -2.4 49 123 A M H > S+ 0 0 0 -24,-2.8 4,-2.3 -2,-0.3 -23,-0.2 0.698 114.9 61.1 -75.0 -21.3 12.6 6.5 -0.1 50 124 A G H > S+ 0 0 12 -25,-0.6 4,-3.0 2,-0.2 -1,-0.2 0.950 109.4 43.7 -64.0 -48.8 9.4 5.1 -1.7 51 125 A T H > S+ 0 0 17 2,-0.2 4,-2.8 1,-0.2 -2,-0.2 0.951 115.0 47.6 -57.7 -51.4 10.6 1.7 -0.8 52 126 A I H X S+ 0 0 0 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.919 115.0 47.0 -59.4 -41.9 11.6 2.7 2.7 53 127 A K H X S+ 0 0 52 -4,-2.3 4,-2.9 2,-0.2 -1,-0.2 0.934 111.0 50.2 -63.5 -49.4 8.3 4.5 3.2 54 128 A R H X S+ 0 0 135 -4,-3.0 4,-2.4 1,-0.2 -2,-0.2 0.928 111.8 50.2 -53.7 -47.0 6.3 1.6 1.9 55 129 A R H <>S+ 0 0 62 -4,-2.8 5,-2.5 2,-0.2 6,-0.5 0.820 110.1 48.6 -59.7 -39.1 8.2 -0.7 4.3 56 130 A L H ><5S+ 0 0 11 -4,-1.9 3,-1.3 -5,-0.2 -2,-0.2 0.935 112.7 49.1 -67.3 -45.3 7.5 1.6 7.2 57 131 A E H 3<5S+ 0 0 97 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.875 114.7 44.3 -59.1 -41.0 3.8 1.7 6.3 58 132 A N T 3<5S- 0 0 118 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.054 110.2-117.0 -96.7 24.7 3.6 -2.1 6.0 59 133 A N T < 5 + 0 0 95 -3,-1.3 -3,-0.2 1,-0.1 -4,-0.1 0.794 63.3 147.7 42.0 43.8 5.6 -2.9 9.2 60 134 A Y < + 0 0 134 -5,-2.5 2,-0.2 -6,-0.1 -4,-0.1 0.825 45.6 81.4 -71.3 -36.3 8.3 -4.7 7.2 61 135 A Y - 0 0 9 -6,-0.5 3,-0.1 1,-0.1 -56,-0.1 -0.529 53.2-169.9 -80.6 137.8 11.1 -3.7 9.6 62 136 A W S S+ 0 0 216 -2,-0.2 2,-0.3 1,-0.2 -1,-0.1 0.609 77.9 23.2 -95.1 -15.4 11.8 -5.6 12.8 63 137 A A S >> S- 0 0 17 1,-0.1 4,-0.9 -61,-0.0 3,-0.8 -0.986 73.2-122.1-149.3 153.1 14.3 -3.0 14.2 64 138 A A H >> S+ 0 0 0 -2,-0.3 4,-2.6 1,-0.2 3,-0.6 0.900 111.2 61.7 -61.9 -41.2 15.0 0.7 13.7 65 139 A S H 3> S+ 0 0 32 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.743 98.1 58.0 -58.6 -26.7 18.6 -0.1 12.7 66 140 A E H <> S+ 0 0 75 -3,-0.8 4,-1.3 2,-0.2 -1,-0.2 0.869 108.9 43.8 -70.7 -40.6 17.2 -2.0 9.7 67 141 A C H - 0 0 141 1,-0.1 3,-1.6 -2,-0.0 6,-0.3 -0.497 36.8-115.7 -69.5 144.2 30.7 11.8 -10.2 84 158 A P T 3 S+ 0 0 52 0, 0.0 -1,-0.1 0, 0.0 112,-0.1 0.752 114.0 50.5 -50.1 -28.5 31.9 13.9 -7.2 85 159 A T T 3 S+ 0 0 122 4,-0.1 5,-0.0 3,-0.0 -3,-0.0 0.552 81.6 115.9 -96.0 -7.7 30.8 17.1 -9.0 86 160 A D X> - 0 0 48 -3,-1.6 4,-0.8 1,-0.1 3,-0.5 -0.281 69.3-129.6 -61.7 145.4 27.2 16.0 -9.9 87 161 A D H 3> S+ 0 0 118 1,-0.2 4,-2.4 2,-0.2 3,-0.3 0.822 103.6 68.2 -65.7 -35.8 24.4 18.0 -8.2 88 162 A I H 3> S+ 0 0 37 1,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.835 96.3 55.4 -52.8 -37.9 22.7 14.8 -7.0 89 163 A V H <> S+ 0 0 1 -3,-0.5 4,-2.8 -6,-0.3 -1,-0.2 0.914 108.0 48.2 -62.1 -43.7 25.6 14.2 -4.7 90 164 A L H X S+ 0 0 95 -4,-0.8 4,-1.8 -3,-0.3 -2,-0.2 0.913 112.0 49.4 -60.6 -45.0 25.0 17.6 -3.1 91 165 A M H X S+ 0 0 28 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.929 112.1 47.9 -62.6 -45.5 21.3 16.9 -2.8 92 166 A A H X S+ 0 0 0 -4,-3.0 4,-2.7 1,-0.2 -2,-0.2 0.904 108.8 53.8 -59.2 -45.9 22.0 13.6 -1.2 93 167 A Q H X S+ 0 0 47 -4,-2.8 4,-1.5 1,-0.2 -1,-0.2 0.884 110.1 48.9 -56.6 -37.1 24.5 15.2 1.2 94 168 A T H X S+ 0 0 50 -4,-1.8 4,-1.3 2,-0.2 -2,-0.2 0.913 113.2 44.7 -70.8 -47.5 21.8 17.7 2.3 95 169 A L H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 3,-0.2 0.912 111.3 54.3 -61.0 -43.8 19.1 15.1 2.9 96 170 A E H X S+ 0 0 3 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.864 102.7 56.8 -64.3 -34.3 21.6 12.9 4.8 97 171 A K H X S+ 0 0 79 -4,-1.5 4,-2.5 2,-0.2 -1,-0.2 0.901 108.6 46.9 -61.1 -39.9 22.5 15.7 7.2 98 172 A I H X S+ 0 0 31 -4,-1.3 4,-2.8 -3,-0.2 5,-0.3 0.894 109.6 55.0 -67.5 -41.8 18.8 16.0 8.1 99 173 A F H X S+ 0 0 0 -4,-2.2 4,-2.9 2,-0.2 -2,-0.2 0.953 112.4 41.9 -52.0 -55.5 18.6 12.2 8.5 100 174 A L H X S+ 0 0 3 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.904 112.4 54.3 -62.9 -44.8 21.5 12.3 11.0 101 175 A Q H < S+ 0 0 101 -4,-2.5 4,-0.2 1,-0.2 -1,-0.2 0.933 115.7 39.0 -51.9 -50.9 20.2 15.4 12.8 102 176 A K H >< S+ 0 0 80 -4,-2.8 3,-1.7 1,-0.2 -2,-0.2 0.879 111.6 57.3 -70.7 -39.1 16.8 13.7 13.4 103 177 A V H >< S+ 0 0 2 -4,-2.9 3,-1.6 -5,-0.3 -1,-0.2 0.831 96.0 65.0 -62.2 -32.8 18.4 10.3 14.1 104 178 A A T 3< S+ 0 0 6 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.632 105.1 46.2 -60.5 -16.4 20.4 11.9 17.0 105 179 A S T < S+ 0 0 43 -3,-1.7 -1,-0.3 -4,-0.2 -2,-0.2 0.136 84.8 125.9-113.2 13.4 17.1 12.6 18.8 106 180 A M S < S- 0 0 6 -3,-1.6 -102,-0.1 1,-0.1 -3,-0.0 -0.492 75.2 -89.5 -73.6 143.3 15.5 9.1 18.2 107 181 A P - 0 0 5 0, 0.0 -1,-0.1 0, 0.0 114,-0.1 -0.271 38.9-144.5 -50.4 139.5 14.1 7.2 21.3 108 182 A Q S S+ 0 0 65 1,-0.2 2,-0.8 112,-0.1 -2,-0.1 0.841 76.0 59.0 -87.2 -39.6 17.0 5.0 22.6 109 183 A E S S- 0 0 124 2,-0.0 2,-1.0 111,-0.0 -106,-0.2 -0.849 76.3-141.7-102.2 105.2 15.5 1.7 23.9 110 184 A E + 0 0 74 -2,-0.8 2,-0.4 -107,-0.1 -2,-0.0 -0.531 30.4 172.2 -69.1 99.7 13.7 -0.1 21.2 111 185 A Q 0 0 78 -2,-1.0 -108,-1.2 1,-0.0 -107,-0.1 -0.934 360.0 360.0-113.1 138.6 10.7 -1.6 22.9 112 186 A E 0 0 211 -2,-0.4 -110,-0.2 -110,-0.2 -1,-0.0 -0.167 360.0 360.0 -70.7 360.0 7.9 -3.3 20.9 113 !* 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 73 B G 0 0 74 0, 0.0 63,-0.3 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0-170.1 31.7 23.1 23.1 115 74 B R - 0 0 40 61,-1.9 2,-0.4 2,-0.0 61,-0.1 -0.764 360.0 -88.0-148.7-170.5 30.7 21.0 26.2 116 75 B V + 0 0 60 -2,-0.2 2,-0.3 111,-0.1 3,-0.0 -0.975 45.1 171.8-114.8 127.7 30.4 17.5 27.6 117 76 B T > - 0 0 3 -2,-0.4 4,-2.2 1,-0.1 110,-0.2 -0.869 46.5-111.6-129.7 165.8 27.1 15.6 27.2 118 77 B N H > S+ 0 0 47 108,-1.7 4,-1.9 -2,-0.3 5,-0.1 0.884 119.6 50.0 -59.0 -40.8 25.8 12.1 27.7 119 78 B Q H > S+ 0 0 3 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.893 110.3 48.0 -67.1 -42.2 25.6 11.6 24.0 120 79 B L H > S+ 0 0 11 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.869 110.6 51.3 -70.6 -39.4 29.1 12.8 23.2 121 80 B Q H X S+ 0 0 116 -4,-2.2 4,-3.3 2,-0.2 5,-0.4 0.916 111.5 49.5 -55.6 -47.4 30.6 10.5 26.0 122 81 B Y H X>S+ 0 0 37 -4,-1.9 4,-2.5 1,-0.2 5,-1.8 0.939 110.1 49.1 -58.8 -47.3 28.6 7.7 24.4 123 82 B L H <>S+ 0 0 0 -4,-2.6 5,-2.9 3,-0.2 -1,-0.2 0.849 118.4 42.1 -62.6 -32.9 30.0 8.6 20.9 124 83 B H H <>S+ 0 0 35 -4,-2.0 5,-0.8 3,-0.2 -2,-0.2 0.964 125.4 28.4 -76.8 -55.0 33.5 8.6 22.4 125 84 B K H <5S+ 0 0 113 -4,-3.3 -3,-0.2 3,-0.2 -2,-0.2 0.740 134.5 24.1 -85.8 -26.4 33.5 5.6 24.7 126 85 B V T X5S+ 0 0 63 -4,-2.5 4,-1.5 -5,-0.4 -3,-0.2 0.857 129.2 30.6-105.5 -58.4 31.0 3.3 23.0 127 86 B V H >< S+ 0 0 0 -4,-2.4 3,-0.9 1,-0.2 -2,-0.2 0.910 110.3 55.9 -57.3 -45.6 35.0 1.6 15.3 132 91 B W H 3< S+ 0 0 60 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.852 108.4 45.3 -59.8 -41.1 38.7 2.4 16.2 133 92 B K H 3< S+ 0 0 160 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.552 86.5 119.7 -81.7 -12.0 39.6 -1.2 17.1 134 93 B H S X< S- 0 0 45 -3,-0.9 3,-1.8 -4,-0.7 4,-0.3 -0.219 73.0-123.3 -60.2 143.0 38.0 -2.7 14.1 135 94 B Q T 3 S+ 0 0 143 1,-0.3 3,-0.2 2,-0.1 -1,-0.1 0.683 112.5 48.9 -60.2 -20.7 40.2 -4.7 11.6 136 95 B F T 3 S+ 0 0 52 1,-0.1 -1,-0.3 -5,-0.1 4,-0.1 0.444 91.6 85.1 -94.4 1.1 39.1 -2.4 8.8 137 96 B A X + 0 0 0 -3,-1.8 3,-2.4 1,-0.2 4,-0.5 0.700 58.3 90.6 -82.3 -22.2 39.7 0.9 10.7 138 97 B W G > S+ 0 0 159 -4,-0.3 3,-1.0 1,-0.3 4,-0.3 0.781 84.8 51.5 -50.4 -41.9 43.4 1.5 10.1 139 98 B P G 3 S+ 0 0 31 0, 0.0 -1,-0.3 0, 0.0 3,-0.2 0.674 113.0 49.1 -70.5 -11.0 43.2 3.6 6.9 140 99 B F G < S+ 0 0 15 -3,-2.4 24,-2.7 1,-0.1 25,-0.5 0.428 87.1 83.3-105.0 -3.7 40.6 5.8 8.7 141 100 B R S < S+ 0 0 71 -3,-1.0 -1,-0.1 -4,-0.5 -3,-0.1 0.616 98.9 27.6 -79.7 -16.4 42.5 6.5 12.0 142 101 B Q S S- 0 0 97 -4,-0.3 22,-0.2 -3,-0.2 3,-0.1 -0.922 101.2 -76.4-137.1 162.7 44.6 9.4 10.6 143 102 B P - 0 0 76 0, 0.0 2,-0.4 0, 0.0 20,-0.1 -0.188 57.0 -93.2 -56.3 149.9 44.1 12.0 7.9 144 103 B V - 0 0 45 18,-0.1 2,-1.1 -4,-0.1 3,-0.1 -0.573 34.6-147.0 -61.1 119.1 44.5 10.9 4.2 145 104 B D > - 0 0 78 -2,-0.4 4,-1.1 1,-0.2 5,-0.1 -0.818 16.5-175.2 -93.0 95.3 48.2 11.6 3.4 146 105 B A T 4>S+ 0 0 12 -2,-1.1 5,-3.7 1,-0.2 -1,-0.2 0.758 81.9 46.5 -66.6 -27.7 47.7 12.5 -0.3 147 106 B V T >45S+ 0 0 134 3,-0.2 3,-1.0 2,-0.2 -1,-0.2 0.922 111.8 48.3 -76.8 -51.4 51.5 12.8 -0.8 148 107 B K T 345S+ 0 0 171 1,-0.2 -2,-0.2 2,-0.1 -1,-0.2 0.610 118.9 42.3 -65.7 -15.7 52.5 9.6 1.0 149 108 B L T 3<5S- 0 0 111 -4,-1.1 -1,-0.2 2,-0.0 -2,-0.2 0.384 112.4-117.4-109.5 -1.5 49.8 7.7 -1.0 150 109 B G T < 5 + 0 0 56 -3,-1.0 -3,-0.2 -5,-0.1 -4,-0.1 0.980 65.9 138.9 60.8 59.1 50.5 9.4 -4.4 151 110 B L > < + 0 0 45 -5,-3.7 3,-1.6 1,-0.1 4,-0.4 -0.649 17.2 167.1-132.0 76.1 47.1 11.0 -4.8 152 111 B P T 3 S+ 0 0 117 0, 0.0 3,-0.2 0, 0.0 4,-0.2 0.724 80.2 52.7 -64.3 -22.8 47.7 14.6 -6.2 153 112 B D T >> S+ 0 0 64 1,-0.1 4,-1.3 2,-0.1 3,-0.6 0.516 82.1 94.5 -87.8 -6.1 44.0 14.9 -7.1 154 113 B Y H X> S+ 0 0 12 -3,-1.6 4,-3.2 1,-0.3 3,-0.6 0.910 88.6 40.0 -57.6 -49.9 42.7 14.0 -3.6 155 114 B H H 34 S+ 0 0 93 -4,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.651 109.5 61.8 -78.3 -13.2 42.3 17.6 -2.1 156 115 B K H <4 S+ 0 0 154 -3,-0.6 -1,-0.2 -4,-0.2 -2,-0.2 0.769 117.5 30.0 -73.9 -29.6 41.0 18.8 -5.5 157 116 B I H << S+ 0 0 58 -4,-1.3 2,-0.8 -3,-0.6 -2,-0.2 0.846 118.7 54.0 -96.9 -44.1 38.1 16.4 -5.1 158 117 B I < + 0 0 4 -4,-3.2 -1,-0.2 -5,-0.2 34,-0.0 -0.833 57.9 173.8 -98.7 107.0 37.7 16.2 -1.3 159 118 B K S S+ 0 0 165 -2,-0.8 -1,-0.2 1,-0.3 -4,-0.1 0.672 73.9 45.4 -90.5 -18.2 37.3 19.7 0.1 160 119 B Q S S- 0 0 101 28,-0.1 -1,-0.3 2,-0.0 32,-0.2 -0.729 76.9-162.9-127.5 83.9 36.6 18.7 3.6 161 120 B P + 0 0 56 0, 0.0 2,-0.3 0, 0.0 28,-0.1 -0.323 14.9 173.5 -62.9 144.8 39.0 15.9 4.8 162 121 B M + 0 0 13 26,-0.1 2,-0.3 27,-0.1 -18,-0.1 -0.977 8.0 169.4-153.1 150.1 37.9 14.0 7.9 163 122 B D > - 0 0 7 -2,-0.3 4,-2.1 -22,-0.1 3,-0.2 -0.964 46.5-104.7-157.6 161.3 39.2 11.0 9.8 164 123 B M H > S+ 0 0 0 -24,-2.7 4,-2.8 -2,-0.3 -23,-0.2 0.725 117.2 59.0 -70.1 -21.6 38.5 9.2 13.2 165 124 B G H > S+ 0 0 16 -25,-0.5 4,-2.5 2,-0.2 -1,-0.2 0.907 108.5 45.5 -70.7 -42.0 41.8 10.6 14.7 166 125 B T H > S+ 0 0 18 -3,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.926 115.7 46.6 -61.8 -47.1 40.5 14.1 14.1 167 126 B I H X S+ 0 0 0 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.923 112.5 50.2 -63.3 -47.2 37.0 13.2 15.4 168 127 B K H X S+ 0 0 67 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.929 111.4 47.9 -53.3 -49.8 38.6 11.5 18.5 169 128 B R H X S+ 0 0 126 -4,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.879 109.4 54.1 -63.4 -37.4 40.8 14.5 19.3 170 129 B R H <>S+ 0 0 57 -4,-2.2 5,-2.6 1,-0.2 6,-0.6 0.855 109.6 47.4 -64.2 -37.4 37.7 16.8 18.9 171 130 B L H ><5S+ 0 0 14 -4,-2.0 3,-0.9 3,-0.2 -2,-0.2 0.881 111.8 50.7 -68.5 -39.9 35.8 14.6 21.5 172 131 B E H 3<5S+ 0 0 93 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.777 112.9 45.7 -68.1 -29.2 38.8 14.7 23.9 173 132 B N T 3<5S- 0 0 110 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.227 112.3-115.4 -99.1 11.3 39.1 18.5 23.7 174 133 B N T < 5 + 0 0 74 -3,-0.9 -3,-0.2 -5,-0.1 -4,-0.1 0.796 65.3 146.6 59.3 34.2 35.4 19.2 24.1 175 134 B Y < + 0 0 132 -5,-2.6 2,-0.2 -6,-0.2 -4,-0.2 0.847 45.5 78.8 -69.2 -36.2 35.1 20.7 20.6 176 135 B Y - 0 0 3 -6,-0.6 -61,-1.9 -61,-0.1 3,-0.1 -0.537 53.5-168.9 -81.7 141.2 31.6 19.5 19.9 177 136 B W S S+ 0 0 148 -63,-0.3 2,-0.3 1,-0.3 -1,-0.1 0.717 76.8 19.0 -94.1 -26.7 28.5 21.3 21.3 178 137 B A S >> S- 0 0 10 1,-0.1 4,-1.1 -59,-0.1 3,-1.0 -0.986 75.2-115.7-146.9 152.5 26.1 18.5 20.3 179 138 B A H 3> S+ 0 0 0 -2,-0.3 4,-2.3 1,-0.2 3,-0.4 0.842 111.9 60.1 -54.2 -42.1 26.1 14.8 19.3 180 139 B S H 3> S+ 0 0 29 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.799 98.6 58.6 -61.6 -32.1 24.8 15.5 15.8 181 140 B E H <> S+ 0 0 79 -3,-1.0 4,-1.4 2,-0.2 -1,-0.2 0.904 109.2 43.8 -60.8 -44.8 27.9 17.7 15.1 182 141 B C H X S+ 0 0 0 -4,-1.1 4,-2.0 -3,-0.4 -2,-0.2 0.903 112.1 53.3 -67.7 -42.2 30.1 14.7 15.8 183 142 B M H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.852 104.6 56.4 -56.9 -37.7 27.8 12.4 13.8 184 143 B Q H X S+ 0 0 26 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.881 105.5 51.3 -63.1 -41.6 28.2 14.8 10.8 185 144 B D H X S+ 0 0 14 -4,-1.4 4,-2.4 2,-0.2 -2,-0.2 0.904 108.2 50.2 -62.3 -45.7 31.9 14.4 11.0 186 145 B F H X S+ 0 0 0 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.931 112.3 49.3 -55.6 -44.9 31.7 10.6 10.9 187 146 B N H X S+ 0 0 7 -4,-2.2 4,-3.1 1,-0.2 -2,-0.2 0.906 108.3 52.2 -63.2 -42.3 29.4 11.0 7.9 188 147 B T H X S+ 0 0 14 -4,-2.5 4,-2.8 1,-0.2 5,-0.2 0.917 107.7 53.2 -59.6 -45.0 31.8 13.3 6.1 189 148 B M H X S+ 0 0 5 -4,-2.4 4,-1.5 1,-0.2 -2,-0.2 0.954 114.2 40.0 -54.0 -54.5 34.6 10.8 6.6 190 149 B F H X S+ 0 0 0 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.898 114.7 54.0 -65.3 -37.9 32.6 7.9 5.1 191 150 B T H X S+ 0 0 1 -4,-3.1 4,-2.5 1,-0.2 5,-0.2 0.928 104.8 53.0 -62.7 -45.4 31.2 10.2 2.3 192 151 B N H X S+ 0 0 11 -4,-2.8 4,-2.5 1,-0.2 5,-0.3 0.857 108.8 51.6 -53.3 -45.4 34.6 11.4 1.2 193 152 B C H X S+ 0 0 9 -4,-1.5 4,-2.2 -5,-0.2 -1,-0.2 0.959 112.4 43.9 -58.7 -51.3 35.7 7.8 0.9 194 153 B Y H < S+ 0 0 2 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.853 116.9 47.9 -63.0 -36.7 32.7 6.8 -1.3 195 154 B I H < S+ 0 0 18 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.895 117.9 36.8 -72.5 -44.1 33.0 10.0 -3.4 196 155 B Y H < S+ 0 0 39 -4,-2.5 -2,-0.2 -5,-0.2 -3,-0.2 0.866 105.7 69.5 -80.9 -40.7 36.8 9.8 -4.1 197 156 B N S < S- 0 0 40 -4,-2.2 0, 0.0 -5,-0.3 0, 0.0 -0.314 88.1 -98.4 -84.0 162.5 37.4 6.1 -4.6 198 157 B K > - 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0 0 12 -6,-0.4 3,-0.1 1,-0.1 -56,-0.0 -0.340 52.4-168.7 -72.2 148.3 -11.8 29.5 20.9 289 136 C W S S+ 0 0 228 1,-0.3 2,-0.3 -2,-0.1 -1,-0.1 0.734 77.5 25.3 -99.4 -35.9 -13.7 32.2 22.8 290 137 C A S >> S- 0 0 39 1,-0.1 3,-1.0 -59,-0.1 4,-0.9 -0.957 75.3-122.6-129.8 149.4 -11.7 32.2 26.0 291 138 C A H 3> S+ 0 0 3 -2,-0.3 4,-2.4 1,-0.2 3,-0.2 0.808 109.7 68.4 -53.8 -33.8 -8.1 31.2 26.8 292 139 C S H 3> S+ 0 0 65 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.848 93.8 55.3 -56.1 -39.8 -9.5 28.7 29.3 293 140 C E H <> S+ 0 0 74 -3,-1.0 4,-1.3 2,-0.2 -1,-0.2 0.892 109.8 45.5 -63.4 -43.0 -11.0 26.5 26.5 294 141 C C H X S+ 0 0 0 -4,-0.9 4,-2.3 -3,-0.2 3,-0.2 0.914 112.7 51.3 -63.5 -46.5 -7.6 26.2 24.8 295 142 C M H X S+ 0 0 53 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.915 107.9 52.5 -58.1 -44.7 -6.0 25.4 28.2 296 143 C Q H X S+ 0 0 112 -4,-2.9 4,-2.7 2,-0.2 -1,-0.2 0.832 107.6 53.4 -57.4 -35.1 -8.7 22.7 28.8 297 144 C D H X S+ 0 0 24 -4,-1.3 4,-2.3 -3,-0.2 -2,-0.2 0.946 108.9 46.5 -70.6 -50.2 -7.8 21.2 25.4 298 145 C F H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.943 114.4 50.4 -49.5 -51.7 -4.1 21.0 26.2 299 146 C N H X S+ 0 0 69 -4,-2.6 4,-3.0 1,-0.2 -2,-0.2 0.893 108.9 49.3 -54.3 -49.1 -5.1 19.5 29.6 300 147 C T H X S+ 0 0 26 -4,-2.7 4,-2.8 1,-0.2 -1,-0.2 0.898 110.5 53.3 -58.5 -41.8 -7.4 16.9 28.0 301 148 C M H X S+ 0 0 5 -4,-2.3 4,-1.5 2,-0.2 -2,-0.2 0.953 113.4 40.4 -61.0 -51.2 -4.6 15.9 25.7 302 149 C F H X S+ 0 0 1 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.920 115.1 52.3 -63.1 -44.3 -2.1 15.3 28.5 303 150 C T H X S+ 0 0 47 -4,-3.0 4,-2.8 1,-0.2 5,-0.3 0.930 105.3 53.9 -59.4 -49.1 -4.6 13.6 30.7 304 151 C N H X S+ 0 0 15 -4,-2.8 4,-2.4 1,-0.2 5,-0.3 0.916 110.0 50.6 -47.8 -43.8 -5.7 11.1 28.0 305 152 C C H X S+ 0 0 8 -4,-1.5 4,-1.8 -5,-0.2 -2,-0.2 0.909 111.7 44.3 -65.1 -43.2 -2.0 10.3 27.7 306 153 C Y H < S+ 0 0 64 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.898 116.9 47.1 -68.1 -37.5 -1.5 9.7 31.4 307 154 C I H < S+ 0 0 110 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.882 116.9 39.4 -73.8 -40.4 -4.7 7.7 31.7 308 155 C Y H < S+ 0 0 41 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.868 105.5 68.1 -82.7 -38.2 -4.3 5.4 28.7 309 156 C N S < S- 0 0 43 -4,-1.8 0, 0.0 -5,-0.3 0, 0.0 -0.378 88.8 -95.2 -89.3 159.7 -0.6 4.6 28.8 310 157 C K > - 0 0 143 1,-0.1 3,-1.4 -2,-0.1 6,-0.3 -0.439 34.1-118.3 -66.4 143.9 1.5 2.5 31.2 311 158 C P T 3 S+ 0 0 120 0, 0.0 -1,-0.1 0, 0.0 6,-0.1 0.806 115.0 49.3 -52.4 -31.8 3.3 4.5 34.0 312 159 C T T 3 S+ 0 0 123 4,-0.1 5,-0.1 5,-0.0 -2,-0.0 0.588 83.2 115.8 -90.3 -10.7 6.6 3.3 32.6 313 160 C D <> - 0 0 40 -3,-1.4 4,-1.0 1,-0.1 3,-0.4 -0.242 69.0-130.4 -58.1 145.2 6.0 4.2 28.9 314 161 C D H > S+ 0 0 46 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.844 105.2 66.5 -66.0 -36.8 8.2 6.8 27.3 315 162 C I H > S+ 0 0 39 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.895 97.0 56.3 -49.2 -43.7 5.2 8.7 26.0 316 163 C V H > S+ 0 0 13 -3,-0.4 4,-2.3 -6,-0.3 -1,-0.2 0.911 108.5 44.7 -58.4 -48.5 4.2 9.5 29.6 317 164 C L H X S+ 0 0 95 -4,-1.0 4,-2.1 2,-0.2 -1,-0.2 0.861 111.6 54.8 -62.9 -37.6 7.5 11.1 30.4 318 165 C M H X S+ 0 0 7 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.948 109.6 46.7 -59.6 -49.0 7.3 13.0 27.1 319 166 C A H X S+ 0 0 0 -4,-2.8 4,-3.2 2,-0.2 -2,-0.2 0.893 109.5 53.8 -57.9 -45.4 3.9 14.3 28.1 320 167 C Q H X S+ 0 0 85 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.922 110.0 47.7 -58.4 -44.7 5.1 15.4 31.6 321 168 C T H X S+ 0 0 46 -4,-2.1 4,-1.6 2,-0.2 -1,-0.2 0.902 114.7 45.1 -62.9 -45.6 7.9 17.4 30.1 322 169 C L H X S+ 0 0 0 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.896 112.2 52.7 -65.0 -41.7 5.6 19.1 27.6 323 170 C E H X S+ 0 0 44 -4,-3.2 4,-2.8 2,-0.2 -2,-0.2 0.891 105.2 54.3 -62.7 -40.9 3.0 19.7 30.3 324 171 C K H X S+ 0 0 148 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.909 110.2 46.6 -60.1 -44.0 5.6 21.4 32.6 325 172 C I H X S+ 0 0 46 -4,-1.6 4,-2.7 2,-0.2 5,-0.2 0.920 110.7 53.6 -61.1 -44.7 6.5 23.8 29.8 326 173 C F H X S+ 0 0 11 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.958 111.7 44.4 -52.6 -55.5 2.8 24.4 29.1 327 174 C L H X S+ 0 0 102 -4,-2.8 4,-1.9 2,-0.2 -1,-0.2 0.886 111.0 53.7 -59.3 -43.9 2.2 25.4 32.8 328 175 C Q H X S+ 0 0 143 -4,-2.3 4,-0.7 1,-0.2 3,-0.5 0.969 113.5 42.9 -53.6 -55.6 5.3 27.5 33.0 329 176 C K H >< S+ 0 0 60 -4,-2.7 3,-0.9 1,-0.2 -2,-0.2 0.858 109.5 57.0 -60.8 -40.0 4.1 29.5 29.9 330 177 C V H >< S+ 0 0 22 -4,-2.6 3,-1.4 1,-0.2 -1,-0.2 0.852 98.7 62.0 -61.5 -33.6 0.5 29.7 31.1 331 178 C A H 3< S+ 0 0 84 -4,-1.9 -1,-0.2 -3,-0.5 -2,-0.2 0.778 105.9 45.7 -63.3 -27.4 1.7 31.4 34.4 332 179 C S T << S+ 0 0 89 -3,-0.9 -1,-0.3 -4,-0.7 -2,-0.2 0.279 86.5 123.7 -99.2 8.9 3.1 34.4 32.4 333 180 C M < - 0 0 36 -3,-1.4 -102,-0.1 -4,-0.2 -3,-0.0 -0.430 66.6-108.9 -69.0 140.7 -0.0 34.7 30.2 334 181 C P 0 0 48 0, 0.0 -1,-0.1 0, 0.0 -100,-0.0 -0.130 360.0 360.0 -60.4 165.4 -1.7 38.2 30.2 335 182 C Q 0 0 137 -105,-0.0 -104,-0.2 -104,-0.0 -105,-0.1 0.698 360.0 360.0-111.5 360.0 -5.1 38.7 31.9