==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXYGEN TRANSPORT 25-SEP-03 1R1X . COMPND 2 MOLECULE: HEMOGLOBIN ALPHA CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR O.ABDULMALIK,M.K.SAFO,N.B.LERNER,J.OCHOTORENA,Y.DHAIKIN, . 287 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14405.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 224 78.0 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 . 8 2.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 45 15.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 163 56.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 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 1 1 0 0 1 0 0 0 2 0 2 2 0 1 2 2 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 1 A V 0 0 181 0, 0.0 127,-0.0 0, 0.0 126,-0.0 0.000 360.0 360.0 360.0 45.4 46.4 18.7 50.1 2 2 A L - 0 0 12 4,-0.0 122,-0.0 5,-0.0 0, 0.0 0.945 360.0-146.7 76.3 86.5 47.8 19.6 53.5 3 3 A S > - 0 0 50 1,-0.1 4,-2.0 4,-0.0 5,-0.2 -0.121 31.6 -98.3 -69.4 173.9 51.3 20.9 53.1 4 4 A P H > S+ 0 0 100 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.936 126.9 56.1 -62.7 -42.8 54.0 20.3 55.8 5 5 A A H > S+ 0 0 57 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.903 106.4 50.3 -55.1 -43.7 53.3 23.8 57.1 6 6 A D H > S+ 0 0 17 2,-0.2 4,-3.2 1,-0.2 5,-0.3 0.930 108.8 50.7 -60.7 -47.1 49.6 23.0 57.5 7 7 A K H X S+ 0 0 46 -4,-2.0 4,-2.7 2,-0.2 -1,-0.2 0.907 113.1 47.2 -57.4 -42.7 50.3 19.7 59.4 8 8 A T H X S+ 0 0 92 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.949 113.2 47.8 -64.7 -48.6 52.6 21.7 61.7 9 9 A N H X S+ 0 0 41 -4,-3.0 4,-1.8 -5,-0.2 -2,-0.2 0.901 115.2 45.1 -61.3 -39.8 50.0 24.5 62.1 10 10 A V H X S+ 0 0 8 -4,-3.2 4,-2.7 2,-0.2 -2,-0.2 0.951 112.6 50.1 -68.5 -47.8 47.2 22.0 62.9 11 11 A K H X S+ 0 0 114 -4,-2.7 4,-1.9 -5,-0.3 -2,-0.2 0.881 111.1 50.4 -56.9 -39.9 49.4 19.9 65.2 12 12 A A H X S+ 0 0 46 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.902 109.7 50.3 -64.4 -41.9 50.3 23.1 67.1 13 13 A A H X S+ 0 0 7 -4,-1.8 4,-2.2 -5,-0.2 -2,-0.2 0.899 108.3 52.8 -62.4 -43.5 46.6 24.0 67.3 14 14 A W H X S+ 0 0 148 -4,-2.7 4,-1.7 1,-0.2 -1,-0.2 0.887 108.0 52.1 -58.3 -43.6 45.8 20.6 68.7 15 15 A G H < S+ 0 0 37 -4,-1.9 -2,-0.2 2,-0.2 -1,-0.2 0.936 108.6 48.4 -60.8 -49.5 48.4 20.9 71.4 16 16 A K H < S+ 0 0 116 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.919 108.6 54.3 -57.0 -47.7 47.2 24.3 72.6 17 17 A V H >< S+ 0 0 16 -4,-2.2 3,-1.8 -5,-0.2 -1,-0.2 0.868 84.4 157.8 -55.4 -36.7 43.6 23.0 72.8 18 18 A G G >< - 0 0 38 -4,-1.7 3,-1.5 1,-0.3 -1,-0.1 -0.111 67.2 -9.3 47.1-141.4 44.9 20.2 75.0 19 19 A A G > S+ 0 0 106 1,-0.3 3,-0.5 2,-0.1 4,-0.4 0.567 119.8 80.6 -62.9 -14.4 42.3 18.5 77.2 20 20 A H G <> + 0 0 95 -3,-1.8 4,-2.8 1,-0.2 5,-0.3 0.551 64.0 104.3 -69.9 -4.8 39.6 21.2 76.4 21 21 A A H <> S+ 0 0 20 -3,-1.5 4,-2.5 1,-0.2 -1,-0.2 0.904 79.4 43.2 -41.8 -63.0 39.1 19.2 73.1 22 22 A G H <> S+ 0 0 10 -3,-0.5 4,-2.3 1,-0.2 5,-0.2 0.933 114.3 50.7 -51.7 -51.8 35.8 17.6 74.2 23 23 A E H > S+ 0 0 107 -4,-0.4 4,-1.6 1,-0.2 -1,-0.2 0.896 113.1 45.8 -54.0 -44.9 34.4 20.8 75.7 24 24 A Y H X S+ 0 0 22 -4,-2.8 4,-2.0 2,-0.2 -1,-0.2 0.827 109.9 55.0 -70.4 -31.1 35.2 22.7 72.5 25 25 A G H X S+ 0 0 5 -4,-2.5 4,-1.5 -5,-0.3 -2,-0.2 0.878 108.6 47.9 -67.9 -37.9 33.7 19.9 70.4 26 26 A A H X S+ 0 0 15 -4,-2.3 4,-2.2 -5,-0.2 -2,-0.2 0.841 110.8 53.3 -68.8 -34.0 30.5 20.2 72.4 27 27 A E H X S+ 0 0 31 -4,-1.6 4,-2.8 -5,-0.2 -2,-0.2 0.877 105.0 52.4 -69.1 -40.1 30.6 24.0 71.9 28 28 A A H X S+ 0 0 0 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.882 110.5 49.2 -63.2 -39.6 30.9 23.8 68.1 29 29 A L H X S+ 0 0 6 -4,-1.5 4,-2.4 2,-0.2 5,-0.2 0.955 111.0 48.2 -65.5 -50.1 27.9 21.5 68.0 30 30 A E H X S+ 0 0 32 -4,-2.2 4,-2.0 1,-0.2 5,-0.3 0.948 111.1 51.7 -54.9 -48.0 25.8 23.8 70.1 31 31 A R H X S+ 0 0 4 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.877 110.7 49.1 -56.1 -38.7 26.9 26.8 67.9 32 32 A M H X S+ 0 0 9 -4,-1.9 4,-3.0 2,-0.2 7,-0.3 0.869 108.4 51.2 -69.3 -41.1 25.8 24.8 64.8 33 33 A F H < S+ 0 0 6 -4,-2.4 7,-0.2 1,-0.2 -1,-0.2 0.862 116.9 41.4 -65.7 -35.6 22.4 23.9 66.1 34 34 A L H < S+ 0 0 66 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.874 123.1 37.3 -78.8 -41.4 21.8 27.5 67.0 35 35 A S H < S+ 0 0 14 -4,-2.5 -2,-0.2 1,-0.3 -3,-0.2 0.845 129.4 30.1 -81.8 -33.5 23.3 29.1 63.9 36 36 A F >< + 0 0 36 -4,-3.0 3,-1.8 -5,-0.2 4,-0.3 -0.736 69.2 179.4-130.1 80.9 22.1 26.4 61.4 37 37 A P G > S+ 0 0 69 0, 0.0 3,-2.0 0, 0.0 4,-0.4 0.777 74.0 69.4 -49.2 -40.6 18.8 25.0 62.8 38 38 A T G > S+ 0 0 96 1,-0.3 3,-0.9 2,-0.2 4,-0.2 0.747 88.9 65.7 -56.0 -25.8 18.2 22.6 59.9 39 39 A T G X S+ 0 0 2 -3,-1.8 3,-1.7 -7,-0.3 -1,-0.3 0.781 86.6 73.5 -67.7 -25.2 21.2 20.6 61.2 40 40 A K G X S+ 0 0 89 -3,-2.0 3,-2.8 -4,-0.3 -1,-0.2 0.790 77.5 72.0 -59.2 -32.5 19.2 19.8 64.2 41 41 A T G < S+ 0 0 105 -3,-0.9 -1,-0.3 -4,-0.4 -2,-0.1 0.644 86.9 67.0 -62.1 -11.6 16.9 17.4 62.5 42 42 A Y G < S+ 0 0 72 -3,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.651 103.9 45.7 -81.7 -13.1 19.8 15.0 62.4 43 43 A F X + 0 0 36 -3,-2.8 3,-0.7 -4,-0.2 -1,-0.3 -0.467 65.7 146.6-125.6 60.6 19.5 14.7 66.1 44 44 A P T 3 S+ 0 0 99 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.905 77.1 46.7 -62.8 -41.8 15.8 14.3 66.8 45 45 A H T 3 S+ 0 0 154 -3,-0.2 2,-0.2 2,-0.1 -2,-0.1 0.520 96.3 94.4 -78.3 -7.3 16.4 12.1 69.8 46 46 A F S < S- 0 0 41 -3,-0.7 2,-0.7 -6,-0.2 -3,-0.1 -0.583 74.5-132.0 -85.8 149.5 19.0 14.4 71.3 47 47 A D - 0 0 81 -2,-0.2 8,-0.4 1,-0.1 7,-0.2 -0.918 23.9-173.6 -95.9 119.1 18.2 17.0 73.9 48 48 A L + 0 0 39 -2,-0.7 -1,-0.1 6,-0.1 3,-0.1 0.159 35.8 129.2-101.3 16.3 20.1 20.1 72.4 49 49 A S S > S- 0 0 62 1,-0.1 3,-1.8 2,-0.1 6,-0.2 -0.259 75.0 -79.7 -68.2 160.8 19.5 22.4 75.3 50 50 A H T 3 S+ 0 0 154 1,-0.3 -1,-0.1 5,-0.0 3,-0.1 -0.399 120.7 20.1 -62.1 133.3 22.5 24.2 76.8 51 51 A G T 3 S+ 0 0 67 1,-0.3 -1,-0.3 -2,-0.1 2,-0.1 0.603 84.8 166.6 82.8 10.1 24.4 22.0 79.1 52 52 A S <> - 0 0 8 -3,-1.8 4,-2.0 1,-0.2 -1,-0.3 -0.421 34.6-147.0 -62.3 129.0 22.9 18.9 77.5 53 53 A A H > S+ 0 0 73 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.807 99.9 55.2 -65.9 -30.1 24.9 15.9 78.7 54 54 A Q H > S+ 0 0 97 2,-0.2 4,-2.2 -7,-0.2 -1,-0.2 0.908 109.1 44.3 -70.7 -41.1 24.2 14.3 75.3 55 55 A V H > S+ 0 0 10 -8,-0.4 4,-2.0 2,-0.2 -2,-0.2 0.839 115.0 51.9 -68.9 -32.8 25.6 17.2 73.4 56 56 A K H X S+ 0 0 151 -4,-2.0 4,-1.2 2,-0.2 -2,-0.2 0.968 111.3 44.7 -65.3 -53.5 28.5 17.1 75.9 57 57 A G H X S+ 0 0 37 -4,-3.1 4,-1.1 1,-0.2 -2,-0.2 0.850 115.5 49.1 -61.1 -34.9 29.1 13.4 75.3 58 58 A H H X S+ 0 0 48 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.831 102.9 57.6 -76.1 -33.5 28.9 13.8 71.6 59 59 A G H X S+ 0 0 0 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.797 105.7 53.9 -66.2 -26.1 31.2 16.8 71.3 60 60 A K H X S+ 0 0 92 -4,-1.2 4,-1.8 2,-0.2 -1,-0.2 0.880 106.4 51.2 -73.0 -38.7 33.8 14.5 73.0 61 61 A K H X S+ 0 0 145 -4,-1.1 4,-1.2 2,-0.2 -2,-0.2 0.875 110.9 48.1 -64.5 -40.4 33.2 11.9 70.3 62 62 A V H X S+ 0 0 32 -4,-2.1 4,-1.9 2,-0.2 3,-0.4 0.944 110.1 52.3 -64.7 -48.4 33.7 14.5 67.5 63 63 A A H X S+ 0 0 8 -4,-2.0 4,-1.9 1,-0.3 -2,-0.2 0.835 108.5 50.7 -55.6 -39.2 36.9 15.8 69.1 64 64 A D H X S+ 0 0 78 -4,-1.8 4,-1.7 1,-0.2 -1,-0.3 0.805 108.1 52.6 -73.6 -27.1 38.3 12.3 69.3 65 65 A A H X S+ 0 0 24 -4,-1.2 4,-1.2 -3,-0.4 -2,-0.2 0.843 110.5 47.5 -76.0 -31.1 37.5 11.7 65.6 66 66 A L H X S+ 0 0 32 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.888 112.0 49.4 -74.0 -38.2 39.4 14.9 64.6 67 67 A T H X S+ 0 0 46 -4,-1.9 4,-2.8 1,-0.2 -2,-0.2 0.875 110.4 50.5 -66.7 -39.2 42.4 14.0 66.8 68 68 A N H X S+ 0 0 62 -4,-1.7 4,-0.5 2,-0.2 -1,-0.2 0.843 109.0 53.8 -66.9 -32.3 42.5 10.5 65.3 69 69 A A H < S+ 0 0 0 -4,-1.2 3,-0.4 2,-0.2 6,-0.3 0.924 113.5 40.1 -67.4 -46.0 42.4 12.2 61.9 70 70 A V H >< S+ 0 0 18 -4,-2.2 3,-1.9 1,-0.2 -2,-0.2 0.878 109.0 59.7 -69.3 -40.6 45.4 14.4 62.7 71 71 A A H 3< S+ 0 0 71 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.676 122.4 28.1 -61.2 -15.5 47.2 11.5 64.4 72 72 A H T >< S+ 0 0 104 -4,-0.5 3,-2.3 -3,-0.4 -1,-0.3 -0.137 80.6 146.6-136.5 37.2 46.9 9.8 61.0 73 73 A V G X + 0 0 19 -3,-1.9 3,-0.8 1,-0.3 -2,-0.1 0.749 66.3 60.2 -47.3 -38.0 46.8 12.9 58.8 74 74 A D G 3 S+ 0 0 136 1,-0.3 -1,-0.3 -4,-0.2 -4,-0.1 0.613 118.7 28.4 -71.5 -11.0 48.7 11.2 55.8 75 75 A D G <> + 0 0 81 -3,-2.3 4,-1.6 -6,-0.3 -1,-0.3 -0.308 66.7 146.6-147.3 59.2 45.9 8.6 55.5 76 76 A M H <> + 0 0 12 -3,-0.8 4,-3.8 1,-0.2 5,-0.2 0.882 68.1 67.5 -64.3 -38.5 42.6 10.0 56.7 77 77 A P H 4 S+ 0 0 80 0, 0.0 -1,-0.2 0, 0.0 7,-0.2 0.933 107.6 38.5 -47.6 -52.8 40.6 8.0 54.2 78 78 A N H >4 S+ 0 0 116 1,-0.2 3,-0.8 2,-0.2 4,-0.3 0.898 119.4 47.4 -66.0 -40.8 41.5 4.7 55.9 79 79 A A H 3< S+ 0 0 31 -4,-1.6 3,-0.3 1,-0.2 -1,-0.2 0.878 116.8 41.5 -69.4 -38.7 41.3 6.1 59.5 80 80 A L T 3X S+ 0 0 4 -4,-3.8 4,-1.9 1,-0.2 -1,-0.2 0.230 84.8 113.1 -93.8 15.1 37.9 7.8 58.9 81 81 A S H X> S+ 0 0 41 -3,-0.8 4,-2.0 1,-0.2 3,-0.7 0.937 75.1 44.4 -50.4 -62.8 36.6 4.8 57.0 82 82 A A H 3> S+ 0 0 77 -4,-0.3 4,-2.0 -3,-0.3 -1,-0.2 0.814 114.2 52.5 -56.5 -31.8 33.9 3.7 59.5 83 83 A L H 3> S+ 0 0 53 2,-0.2 4,-2.7 -4,-0.2 -1,-0.2 0.802 105.6 51.9 -75.4 -31.0 32.7 7.3 60.0 84 84 A S H S+ 0 0 0 -4,-1.9 4,-2.4 -3,-0.7 5,-0.5 0.918 112.1 47.9 -68.5 -43.6 32.3 8.0 56.2 85 85 A D H X>S+ 0 0 61 -4,-2.0 4,-1.2 -5,-0.2 5,-1.2 0.926 113.8 48.2 -59.2 -48.8 30.1 4.9 56.0 86 86 A L H <>S+ 0 0 62 -4,-2.0 5,-2.6 -5,-0.2 4,-0.5 0.952 116.5 39.2 -58.6 -56.3 28.2 6.0 59.1 87 87 A H H <5S+ 0 0 45 -4,-2.7 6,-2.8 3,-0.2 5,-0.4 0.848 126.3 33.2 -67.9 -37.2 27.5 9.6 58.0 88 88 A A H <5S+ 0 0 4 -4,-2.4 4,-0.4 -5,-0.2 -3,-0.2 0.959 126.8 33.4 -83.8 -59.3 26.8 9.0 54.3 89 89 A H T < - 0 0 35 -2,-0.6 3,-1.0 -3,-0.1 4,-0.4 -0.293 18.4-115.1 -63.2 149.1 24.0 16.1 53.3 95 95 A P T >> S+ 0 0 74 0, 0.0 3,-1.2 0, 0.0 4,-0.8 0.799 107.8 66.0 -54.6 -38.3 27.4 17.6 52.3 96 96 A V H 3> S+ 0 0 76 1,-0.3 4,-1.8 2,-0.2 3,-0.4 0.812 91.3 64.7 -57.9 -31.9 26.6 21.2 53.2 97 97 A N H <> S+ 0 0 13 -3,-1.0 4,-2.6 1,-0.2 -1,-0.3 0.778 93.9 59.1 -65.8 -26.7 26.3 20.3 56.9 98 98 A F H <> S+ 0 0 16 -3,-1.2 4,-2.3 -4,-0.4 -1,-0.2 0.884 106.1 49.0 -69.4 -33.9 30.0 19.5 57.0 99 99 A K H X S+ 0 0 139 -4,-0.8 4,-2.0 -3,-0.4 -2,-0.2 0.910 110.9 50.6 -68.5 -40.5 30.8 23.0 55.9 100 100 A L H X S+ 0 0 31 -4,-1.8 4,-1.7 1,-0.2 -2,-0.2 0.933 113.7 43.9 -62.8 -47.6 28.4 24.4 58.5 101 101 A L H X S+ 0 0 34 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.902 110.0 55.0 -68.1 -38.4 30.0 22.4 61.3 102 102 A S H X S+ 0 0 17 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.931 106.7 52.1 -59.7 -44.0 33.6 23.1 60.1 103 103 A H H X S+ 0 0 17 -4,-2.0 4,-2.9 1,-0.2 -1,-0.2 0.910 110.7 47.6 -57.8 -43.7 32.9 26.8 60.3 104 104 A C H X S+ 0 0 0 -4,-1.7 4,-2.4 2,-0.2 -1,-0.2 0.854 108.6 53.8 -68.5 -33.8 31.6 26.4 63.9 105 105 A L H X S+ 0 0 22 -4,-2.3 4,-1.3 2,-0.2 -1,-0.2 0.895 112.6 45.3 -65.3 -38.7 34.6 24.3 64.8 106 106 A L H X S+ 0 0 4 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.901 112.0 50.2 -71.8 -41.0 36.8 27.2 63.5 107 107 A V H X S+ 0 0 0 -4,-2.9 4,-1.8 1,-0.2 -2,-0.2 0.894 108.2 55.1 -63.4 -37.6 34.7 29.9 65.2 108 108 A T H < S+ 0 0 2 -4,-2.4 4,-0.3 1,-0.2 -1,-0.2 0.832 110.6 44.4 -62.4 -36.8 35.0 27.8 68.5 109 109 A L H >X S+ 0 0 31 -4,-1.3 4,-2.1 2,-0.2 3,-1.1 0.884 108.7 55.3 -76.3 -41.2 38.9 27.8 68.3 110 110 A A H 3< S+ 0 0 1 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.890 108.7 51.4 -57.2 -37.8 39.1 31.5 67.4 111 111 A A T 3< S+ 0 0 10 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.600 118.7 34.9 -77.4 -12.6 37.1 32.2 70.5 112 112 A H T <4 S+ 0 0 50 -3,-1.1 -2,-0.2 -4,-0.3 -1,-0.2 0.504 121.1 41.0-117.4 -10.0 39.4 30.1 72.8 113 113 A L X + 0 0 19 -4,-2.1 4,-2.0 1,-0.1 -1,-0.1 -0.551 52.9 162.9-141.8 74.9 42.8 30.6 71.3 114 114 A P T 4 S+ 0 0 82 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.830 81.6 51.5 -60.6 -32.4 43.4 34.3 70.3 115 115 A A T 4 S+ 0 0 69 1,-0.2 3,-0.1 -3,-0.1 -2,-0.1 0.951 115.1 37.8 -72.2 -48.9 47.2 33.6 70.2 116 116 A E T 4 S+ 0 0 54 1,-0.2 2,-1.9 -7,-0.1 -1,-0.2 0.680 95.1 84.6 -78.2 -18.2 47.2 30.5 67.9 117 117 A F < + 0 0 3 -4,-2.0 -1,-0.2 -8,-0.2 141,-0.0 -0.348 60.4 150.9 -84.9 61.2 44.4 31.6 65.6 118 118 A T > - 0 0 58 -2,-1.9 4,-2.6 -3,-0.1 5,-0.2 -0.265 64.3 -97.4 -79.9 173.4 46.6 33.6 63.3 119 119 A P H > S+ 0 0 18 0, 0.0 4,-2.3 0, 0.0 5,-0.1 0.920 125.4 48.2 -59.1 -43.3 45.7 34.0 59.6 120 120 A A H > S+ 0 0 35 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.937 113.7 45.0 -62.4 -50.1 48.1 31.2 58.7 121 121 A V H > S+ 0 0 17 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.872 110.5 54.8 -63.4 -37.8 46.8 28.8 61.3 122 122 A H H X S+ 0 0 1 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.961 110.0 47.6 -59.2 -49.7 43.1 29.7 60.4 123 123 A A H X S+ 0 0 7 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.897 112.0 48.7 -58.2 -45.6 43.9 28.8 56.8 124 124 A S H X S+ 0 0 2 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.942 111.6 48.9 -61.0 -50.4 45.6 25.5 57.7 125 125 A L H X S+ 0 0 11 -4,-2.5 4,-3.1 1,-0.2 5,-0.3 0.885 108.3 54.2 -56.7 -42.9 42.8 24.4 60.0 126 126 A D H X S+ 0 0 35 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.899 109.7 47.3 -59.7 -40.5 40.2 25.2 57.3 127 127 A K H X S+ 0 0 71 -4,-1.8 4,-2.5 2,-0.2 -1,-0.2 0.851 111.4 52.1 -68.1 -35.7 42.1 23.0 54.9 128 128 A F H X S+ 0 0 10 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.943 112.7 43.3 -64.5 -49.3 42.2 20.3 57.6 129 129 A L H X S+ 0 0 11 -4,-3.1 4,-2.8 1,-0.2 5,-0.2 0.884 113.0 53.2 -65.6 -37.4 38.5 20.4 58.2 130 130 A A H X S+ 0 0 46 -4,-2.3 4,-2.2 -5,-0.3 -1,-0.2 0.926 109.8 48.6 -63.0 -43.4 37.9 20.6 54.5 131 131 A S H X S+ 0 0 31 -4,-2.5 4,-1.7 2,-0.2 -2,-0.2 0.914 112.7 46.7 -63.8 -42.2 40.0 17.4 54.1 132 132 A V H X S+ 0 0 8 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.927 112.5 50.2 -65.3 -43.7 38.2 15.6 56.9 133 133 A S H X S+ 0 0 20 -4,-2.8 4,-0.7 1,-0.2 -1,-0.2 0.871 105.8 56.9 -61.2 -38.7 34.8 16.6 55.5 134 134 A T H >< S+ 0 0 94 -4,-2.2 3,-0.7 -5,-0.2 -1,-0.2 0.915 109.4 45.8 -61.0 -40.4 35.8 15.4 52.0 135 135 A V H >< S+ 0 0 15 -4,-1.7 3,-2.0 1,-0.2 4,-0.4 0.948 107.5 57.0 -67.6 -45.1 36.5 12.0 53.5 136 136 A L H 3< S+ 0 0 18 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.583 112.2 42.9 -62.7 -8.3 33.2 11.9 55.4 137 137 A T T << S+ 0 0 39 -3,-0.7 3,-0.4 -4,-0.7 -1,-0.3 0.049 86.7 91.4-125.5 24.6 31.3 12.5 52.2 138 138 A S S < S+ 0 0 75 -3,-2.0 -2,-0.1 1,-0.2 -3,-0.1 0.625 78.9 63.6 -91.4 -16.7 33.2 10.1 49.9 139 139 A K + 0 0 61 -4,-0.4 2,-0.6 -55,-0.2 -1,-0.2 -0.151 62.0 150.6-102.4 38.4 30.8 7.2 50.7 140 140 A Y 0 0 88 -3,-0.4 -51,-0.1 -52,-0.1 -55,-0.1 -0.607 360.0 360.0 -76.9 117.2 27.4 8.4 49.3 141 141 A R 0 0 281 -2,-0.6 -1,-0.1 -53,-0.0 -2,-0.1 -0.491 360.0 360.0 -62.6 360.0 25.4 5.3 48.2 142 !* 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 0.0 143 1 B V 0 0 52 0, 0.0 2,-0.6 0, 0.0 79,-0.1 0.000 360.0 360.0 360.0 141.7 16.3 40.0 57.6 144 2 B H - 0 0 141 77,-0.1 2,-0.4 130,-0.0 77,-0.0 -0.865 360.0-174.4-118.2 103.1 14.2 39.8 60.7 145 3 B L - 0 0 6 -2,-0.6 76,-0.0 2,-0.0 75,-0.0 -0.754 25.2-125.5 -91.5 136.0 16.0 39.6 64.0 146 4 B T > - 0 0 66 -2,-0.4 4,-2.4 1,-0.1 3,-0.3 -0.329 37.4 -96.4 -70.9 163.2 14.0 39.1 67.2 147 5 B P H > S+ 0 0 110 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.871 126.6 49.0 -51.1 -42.5 14.5 41.7 69.9 148 6 B E H > S+ 0 0 163 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.884 110.8 50.1 -67.2 -37.2 17.1 39.5 71.7 149 7 B E H > S+ 0 0 47 -3,-0.3 4,-1.4 2,-0.2 -1,-0.2 0.870 110.5 50.2 -67.1 -38.1 19.0 38.9 68.5 150 8 B K H X S+ 0 0 69 -4,-2.4 4,-3.0 2,-0.2 5,-0.3 0.909 110.3 50.8 -64.0 -44.6 19.1 42.6 67.7 151 9 B S H X S+ 0 0 78 -4,-2.2 4,-2.7 -5,-0.2 5,-0.2 0.941 108.2 51.7 -58.5 -49.4 20.4 43.3 71.2 152 10 B A H X S+ 0 0 24 -4,-2.3 4,-1.1 1,-0.2 -1,-0.2 0.795 116.1 40.6 -60.0 -31.7 23.1 40.7 70.9 153 11 B V H X S+ 0 0 3 -4,-1.4 4,-2.2 -3,-0.2 -2,-0.2 0.890 116.3 45.5 -84.8 -45.2 24.3 42.2 67.6 154 12 B T H X S+ 0 0 100 -4,-3.0 4,-2.4 2,-0.2 5,-0.2 0.915 111.5 57.0 -64.4 -41.7 24.1 45.9 68.4 155 13 B A H X S+ 0 0 56 -4,-2.7 4,-0.8 -5,-0.3 3,-0.3 0.967 114.5 32.8 -53.4 -65.4 25.7 45.2 71.7 156 14 B L H >< S+ 0 0 6 -4,-1.1 3,-0.5 1,-0.2 -1,-0.2 0.856 116.6 58.7 -62.5 -36.4 29.0 43.6 70.5 157 15 B W H >< S+ 0 0 31 -4,-2.2 3,-1.9 1,-0.2 -1,-0.2 0.863 95.9 59.7 -65.0 -36.0 29.0 45.8 67.3 158 16 B G H 3< S+ 0 0 68 -4,-2.4 -1,-0.2 -3,-0.3 -2,-0.2 0.865 105.5 53.1 -59.2 -30.5 29.0 49.0 69.2 159 17 B K T << S+ 0 0 112 -4,-0.8 2,-0.4 -3,-0.5 -1,-0.3 0.278 84.2 115.7 -88.2 9.9 32.3 47.8 70.7 160 18 B V < - 0 0 12 -3,-1.9 2,-1.3 1,-0.1 -3,-0.0 -0.663 68.3-127.3 -87.2 133.0 34.0 47.0 67.4 161 19 B N >> - 0 0 61 -2,-0.4 3,-2.2 1,-0.2 4,-2.1 -0.649 21.4-163.6 -79.6 95.9 37.2 48.9 66.3 162 20 B V T 34 S+ 0 0 75 -2,-1.3 4,-0.2 1,-0.3 -1,-0.2 0.540 82.0 62.7 -58.9 -8.6 36.0 50.0 62.8 163 21 B D T 34 S+ 0 0 81 3,-0.1 -1,-0.3 2,-0.1 44,-0.1 0.581 117.5 20.8 -96.0 -6.1 39.6 50.7 61.8 164 22 B E T <> S+ 0 0 86 -3,-2.2 4,-1.9 2,-0.1 3,-0.2 0.695 105.2 69.6-127.4 -38.5 40.9 47.2 62.1 165 23 B V H X S+ 0 0 5 -4,-2.1 4,-2.3 1,-0.2 5,-0.2 0.880 100.3 53.8 -55.3 -40.9 38.1 44.5 62.0 166 24 B G H > S+ 0 0 5 -5,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.877 109.8 43.7 -62.8 -44.0 37.5 45.2 58.3 167 25 B G H > S+ 0 0 8 -3,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.793 112.5 56.4 -72.2 -26.8 41.0 44.8 57.1 168 26 B E H X S+ 0 0 56 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.933 110.6 41.1 -69.2 -46.9 41.3 41.7 59.3 169 27 B A H X S+ 0 0 6 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.912 118.5 46.5 -68.7 -42.6 38.3 39.9 57.7 170 28 B L H X S+ 0 0 4 -4,-2.1 4,-1.9 -5,-0.2 -2,-0.2 0.891 114.0 49.4 -64.9 -41.3 39.3 41.0 54.2 171 29 B G H X S+ 0 0 0 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.951 110.7 48.1 -63.1 -52.3 42.9 39.9 54.8 172 30 B R H X S+ 0 0 2 -4,-2.5 4,-4.3 1,-0.2 5,-0.4 0.884 108.5 56.5 -57.6 -38.1 42.0 36.5 56.2 173 31 B L H X S+ 0 0 10 -4,-2.0 4,-3.0 1,-0.2 7,-0.3 0.949 108.2 46.4 -57.4 -48.6 39.7 36.0 53.2 174 32 B L H < S+ 0 0 0 -4,-1.9 -1,-0.2 1,-0.2 7,-0.2 0.821 119.6 41.9 -63.0 -32.1 42.6 36.6 50.8 175 33 B V H < S+ 0 0 22 -4,-2.0 -2,-0.2 -5,-0.1 -1,-0.2 0.892 120.3 39.3 -81.6 -43.8 44.7 34.3 52.9 176 34 B V H < S+ 0 0 4 -4,-4.3 -3,-0.2 1,-0.3 -2,-0.2 0.879 128.1 32.4 -75.8 -39.0 42.1 31.5 53.6 177 35 B Y S >< S- 0 0 26 -4,-3.0 3,-2.6 -5,-0.4 -1,-0.3 -0.670 73.4-177.8-121.2 74.5 40.5 31.6 50.1 178 36 B P G > S+ 0 0 62 0, 0.0 3,-2.4 0, 0.0 4,-0.2 0.700 72.7 73.9 -39.9 -38.2 43.5 32.5 47.8 179 37 B W G > S+ 0 0 135 1,-0.3 3,-1.2 2,-0.2 4,-0.1 0.733 83.7 70.0 -57.3 -19.9 41.4 32.5 44.7 180 38 B T G X S+ 0 0 5 -3,-2.6 3,-1.3 -7,-0.3 -1,-0.3 0.604 77.9 78.2 -74.5 -9.6 39.9 35.8 45.9 181 39 B Q G X S+ 0 0 54 -3,-2.4 3,-2.1 1,-0.3 -1,-0.2 0.663 73.1 80.9 -71.7 -15.2 43.2 37.6 45.2 182 40 B R G < S+ 0 0 153 -3,-1.2 3,-0.4 1,-0.3 -1,-0.3 0.698 90.1 52.4 -63.2 -19.8 42.3 37.6 41.6 183 41 B F G < S+ 0 0 53 -3,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.301 110.2 48.6 -99.5 9.8 40.1 40.6 42.3 184 42 B F X + 0 0 33 -3,-2.1 3,-1.3 1,-0.1 4,-0.3 -0.083 57.5 130.9-140.7 38.7 43.0 42.5 44.0 185 43 B E G > S+ 0 0 148 -3,-0.4 3,-0.6 1,-0.3 -3,-0.1 0.737 77.0 59.8 -64.4 -19.8 46.0 42.3 41.7 186 44 B S G 3 S+ 0 0 86 1,-0.2 -1,-0.3 -3,-0.1 3,-0.1 0.642 83.3 78.3 -83.4 -16.9 46.3 46.1 42.2 187 45 B F G < S- 0 0 29 -3,-1.3 2,-0.5 1,-0.2 14,-0.4 0.620 91.5-137.6 -69.3 -14.1 46.7 46.0 46.0 188 46 B G < + 0 0 53 -3,-0.6 2,-0.9 -4,-0.3 -1,-0.2 -0.805 65.3 32.9 104.7-134.8 50.4 45.0 45.8 189 47 B D + 0 0 91 -2,-0.5 3,-0.1 1,-0.2 10,-0.1 -0.579 51.4 146.7 -76.6 103.2 52.2 42.5 47.9 190 48 B L + 0 0 17 -2,-0.9 -1,-0.2 1,-0.1 6,-0.1 -0.194 35.1 118.5-123.1 33.9 49.9 39.6 48.8 191 49 B S S S+ 0 0 89 4,-0.1 -1,-0.1 1,-0.1 3,-0.1 0.743 76.6 21.6 -75.5 -25.3 52.7 37.1 48.7 192 50 B T S > S- 0 0 65 -3,-0.1 4,-2.7 1,-0.1 5,-0.2 -0.941 79.6-111.4-140.7 161.3 52.4 36.1 52.4 193 51 B P H > S+ 0 0 48 0, 0.0 4,-3.7 0, 0.0 5,-0.2 0.932 122.8 45.3 -58.7 -45.0 49.9 36.2 55.2 194 52 B D H > S+ 0 0 134 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.869 114.2 49.9 -65.0 -35.3 51.9 38.8 57.0 195 53 B A H 4 S+ 0 0 19 2,-0.2 4,-0.3 1,-0.2 -1,-0.2 0.809 115.4 43.8 -72.1 -30.7 52.4 40.6 53.7 196 54 B V H >< S+ 0 0 2 -4,-2.7 3,-0.9 2,-0.2 -2,-0.2 0.932 115.2 46.9 -77.3 -48.4 48.6 40.4 53.2 197 55 B M H 3< S+ 0 0 45 -4,-3.7 -2,-0.2 1,-0.3 -3,-0.2 0.822 116.4 44.8 -63.4 -32.4 47.7 41.4 56.7 198 56 B G T 3< S+ 0 0 60 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.495 83.7 120.2 -91.2 -3.4 50.1 44.3 56.8 199 57 B N <> - 0 0 13 -3,-0.9 4,-1.7 -4,-0.3 5,-0.1 -0.430 57.2-147.0 -65.7 128.6 49.2 45.6 53.4 200 58 B P H > S+ 0 0 99 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.886 95.9 53.1 -63.3 -43.8 47.9 49.2 53.6 201 59 B K H > S+ 0 0 113 -14,-0.4 4,-2.9 2,-0.2 5,-0.2 0.864 107.3 53.3 -62.9 -35.5 45.4 48.9 50.7 202 60 B V H > S+ 0 0 2 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.954 111.8 44.3 -62.5 -50.6 43.8 45.8 52.3 203 61 B K H X S+ 0 0 89 -4,-1.7 4,-1.4 2,-0.2 -2,-0.2 0.906 115.0 49.5 -61.2 -42.3 43.3 47.7 55.6 204 62 B A H X S+ 0 0 52 -4,-2.7 4,-0.8 1,-0.2 -2,-0.2 0.922 115.7 41.9 -62.9 -45.7 42.0 50.7 53.7 205 63 B H H X S+ 0 0 65 -4,-2.9 4,-2.2 1,-0.2 3,-0.2 0.823 107.0 62.3 -72.9 -31.8 39.5 48.6 51.7 206 64 B G H X S+ 0 0 0 -4,-2.8 4,-2.7 1,-0.2 -1,-0.2 0.856 98.1 57.4 -61.5 -35.4 38.5 46.5 54.6 207 65 B K H X S+ 0 0 96 -4,-1.4 4,-2.6 2,-0.2 -1,-0.2 0.872 106.2 49.5 -63.0 -37.8 37.2 49.6 56.4 208 66 B K H X S+ 0 0 145 -4,-0.8 4,-2.1 -3,-0.2 -2,-0.2 0.979 109.9 49.3 -64.1 -55.3 34.9 50.2 53.4 209 67 B V H X S+ 0 0 37 -4,-2.2 4,-1.4 1,-0.3 3,-0.5 0.930 113.3 48.7 -47.3 -49.3 33.6 46.7 53.5 210 68 B L H X S+ 0 0 6 -4,-2.7 4,-2.6 1,-0.3 5,-0.3 0.891 105.2 56.4 -59.3 -42.2 33.1 47.1 57.2 211 69 B G H X S+ 0 0 39 -4,-2.6 4,-1.8 1,-0.3 -1,-0.3 0.855 103.9 57.0 -57.7 -33.0 31.3 50.4 56.6 212 70 B A H X S+ 0 0 22 -4,-2.1 4,-1.6 -3,-0.5 -1,-0.3 0.890 108.3 44.8 -65.6 -40.4 29.0 48.3 54.4 213 71 B F H X S+ 0 0 21 -4,-1.4 4,-2.8 -3,-0.3 5,-0.3 0.937 109.0 53.7 -70.9 -45.2 28.1 46.0 57.3 214 72 B S H X S+ 0 0 38 -4,-2.6 4,-1.7 1,-0.3 -1,-0.2 0.922 112.6 47.3 -53.4 -42.7 27.5 48.7 59.9 215 73 B D H X S+ 0 0 76 -4,-1.8 4,-0.7 -5,-0.3 -1,-0.3 0.857 108.3 54.1 -66.3 -37.5 25.1 50.2 57.3 216 74 B G H >< S+ 0 0 0 -4,-1.6 3,-1.0 1,-0.2 -2,-0.2 0.906 107.7 50.7 -62.8 -41.4 23.5 46.8 56.8 217 75 B L H >< S+ 0 0 31 -4,-2.8 3,-0.7 1,-0.3 -1,-0.2 0.852 104.1 58.6 -63.4 -36.7 22.9 46.5 60.5 218 76 B A H 3< S+ 0 0 70 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.684 117.6 32.6 -68.3 -16.9 21.4 49.9 60.5 219 77 B H T X< + 0 0 88 -3,-1.0 3,-0.6 -4,-0.7 -1,-0.3 -0.479 68.3 141.9-141.3 68.2 18.8 48.7 57.9 220 78 B L G X S+ 0 0 15 -3,-0.7 3,-0.7 1,-0.2 -1,-0.1 0.896 71.0 60.4 -73.9 -44.4 18.0 45.0 58.5 221 79 B D G 3 S+ 0 0 101 1,-0.3 -1,-0.2 -3,-0.1 -77,-0.1 0.485 120.6 30.9 -64.8 0.2 14.3 45.1 57.8 222 80 B N G <> + 0 0 91 -3,-0.6 4,-0.9 -6,-0.2 -1,-0.3 -0.396 64.4 146.9-158.9 71.8 15.4 46.3 54.3 223 81 B L H <> + 0 0 9 -3,-0.7 4,-2.7 2,-0.2 5,-0.1 0.784 69.7 64.7 -80.5 -28.0 18.8 45.0 53.1 224 82 B K H > S+ 0 0 127 2,-0.2 4,-1.0 1,-0.2 -1,-0.1 0.981 105.6 40.2 -59.5 -60.9 17.9 44.9 49.4 225 83 B G H 4 S+ 0 0 48 1,-0.2 4,-0.4 2,-0.2 3,-0.3 0.853 116.0 54.3 -56.8 -36.3 17.4 48.6 48.9 226 84 B T H < S+ 0 0 40 -4,-0.9 3,-0.4 1,-0.2 4,-0.2 0.949 116.4 33.9 -64.4 -51.3 20.4 49.3 51.0 227 85 B F H X S+ 0 0 5 -4,-2.7 4,-1.7 1,-0.2 3,-0.2 0.386 84.8 110.2 -89.5 6.1 22.8 47.1 49.1 228 86 B A H >X S+ 0 0 52 -4,-1.0 4,-1.4 -3,-0.3 3,-0.6 0.908 81.5 44.0 -44.5 -55.2 21.3 47.7 45.6 229 87 B T H 3> S+ 0 0 121 -3,-0.4 4,-1.6 -4,-0.4 -1,-0.2 0.859 112.0 51.0 -62.8 -38.6 24.3 49.7 44.4 230 88 B L H 3> S+ 0 0 57 -4,-0.2 4,-2.3 -3,-0.2 -1,-0.2 0.718 107.6 56.7 -71.7 -18.9 27.0 47.4 45.8 231 89 B S H S+ 0 0 2 -4,-1.7 4,-2.2 -3,-0.6 5,-0.6 0.817 103.8 50.5 -79.2 -35.6 25.2 44.5 44.1 232 90 B E H X>S+ 0 0 77 -4,-1.4 5,-1.5 -5,-0.2 4,-0.9 0.913 115.4 44.7 -68.8 -41.6 25.4 46.1 40.7 233 91 B L H X>S+ 0 0 61 -4,-1.6 5,-3.4 3,-0.2 4,-0.6 0.964 119.0 40.1 -65.5 -53.4 29.1 46.6 41.2 234 92 B H H <5S+ 0 0 45 -4,-2.3 6,-2.7 3,-0.2 -2,-0.2 0.814 130.0 28.4 -68.5 -31.9 29.9 43.2 42.7 235 93 B C H <5S+ 0 0 0 -4,-2.2 4,-0.5 4,-0.2 -3,-0.2 0.919 129.1 30.7 -93.9 -61.5 27.6 41.3 40.3 236 94 B D H < - 0 0 61 -2,-0.4 3,-1.7 -3,-0.1 4,-0.3 0.010 47.1-100.1 -38.6 132.9 32.3 34.4 41.8 242 100 B P T 3 S+ 0 0 90 0, 0.0 -1,-0.1 0, 0.0 42,-0.0 -0.315 108.2 30.9 -59.1 146.4 29.0 33.2 43.3 243 101 B E T >> S+ 0 0 144 37,-0.1 4,-1.5 -3,-0.1 3,-0.5 0.063 86.8 103.3 93.2 -22.2 29.5 32.1 47.0 244 102 B N H <> S+ 0 0 12 -3,-1.7 4,-2.1 1,-0.2 5,-0.2 0.850 74.1 60.3 -61.0 -35.1 32.3 34.6 47.8 245 103 B F H 3> S+ 0 0 26 -4,-0.3 4,-1.6 1,-0.2 -1,-0.2 0.861 105.2 47.9 -63.2 -34.6 30.1 36.9 49.7 246 104 B R H <> S+ 0 0 109 -3,-0.5 4,-2.7 2,-0.2 -1,-0.2 0.871 107.0 56.5 -74.9 -34.0 29.2 34.2 52.2 247 105 B L H X S+ 0 0 38 -4,-1.5 4,-2.1 1,-0.2 5,-0.2 0.965 108.4 46.9 -58.5 -51.0 32.8 33.2 52.7 248 106 B L H X S+ 0 0 30 -4,-2.1 4,-3.2 2,-0.2 -1,-0.2 0.883 110.7 52.2 -60.5 -38.1 33.7 36.8 53.7 249 107 B G H X S+ 0 0 1 -4,-1.6 4,-2.9 1,-0.2 -1,-0.2 0.953 112.2 46.6 -62.3 -45.5 30.7 36.9 56.1 250 108 B N H X S+ 0 0 36 -4,-2.7 4,-1.4 2,-0.2 -2,-0.2 0.798 111.8 49.5 -66.1 -28.3 31.8 33.7 57.7 251 109 B V H X S+ 0 0 1 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.894 109.0 54.2 -76.0 -37.4 35.4 35.0 57.9 252 110 B L H X S+ 0 0 6 -4,-3.2 4,-2.7 1,-0.2 -2,-0.2 0.961 106.9 50.8 -56.8 -50.7 33.9 38.2 59.5 253 111 B V H X S+ 0 0 0 -4,-2.9 4,-2.1 1,-0.2 -1,-0.2 0.870 109.2 50.8 -54.5 -38.7 32.2 35.9 62.0 254 112 B C H X S+ 0 0 1 -4,-1.4 4,-2.2 2,-0.2 -1,-0.2 0.872 109.6 50.4 -68.6 -35.4 35.6 34.2 62.7 255 113 B V H X S+ 0 0 6 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.914 109.5 51.4 -67.8 -40.3 37.2 37.6 63.2 256 114 B L H X S+ 0 0 1 -4,-2.7 4,-2.6 1,-0.2 5,-0.3 0.918 111.4 47.0 -63.0 -43.2 34.5 38.6 65.6 257 115 B A H X S+ 0 0 0 -4,-2.1 4,-3.1 2,-0.2 7,-0.2 0.909 111.2 51.0 -62.7 -46.4 34.9 35.5 67.7 258 116 B H H < S+ 0 0 42 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.920 115.6 42.2 -57.9 -46.6 38.7 35.8 67.8 259 117 B H H < S+ 0 0 101 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.904 126.4 30.3 -70.1 -44.4 38.5 39.4 69.0 260 118 B F H >< S+ 0 0 22 -4,-2.6 3,-1.7 -5,-0.2 -2,-0.2 0.684 81.1 175.3 -91.7 -19.8 35.7 38.9 71.5 261 119 B G G >< S+ 0 0 12 -4,-3.1 3,-1.6 -5,-0.3 -1,-0.2 -0.279 72.1 16.9 57.0-120.4 36.3 35.4 72.6 262 120 B K G 3 S+ 0 0 190 1,-0.3 -1,-0.3 -151,-0.1 -2,-0.1 0.857 121.9 64.6 -52.5 -39.0 33.9 34.3 75.4 263 121 B E G < S+ 0 0 95 -3,-1.7 2,-2.0 1,-0.2 -1,-0.3 0.770 84.2 76.5 -57.4 -30.0 31.6 37.3 74.6 264 122 B F S < S- 0 0 0 -3,-1.6 -1,-0.2 -7,-0.2 -153,-0.1 -0.577 78.2-175.5 -85.7 75.5 30.8 35.8 71.2 265 123 B T > - 0 0 50 -2,-2.0 4,-3.2 1,-0.1 5,-0.3 -0.225 41.3-102.4 -69.3 159.4 28.5 33.3 72.7 266 124 B P H > S+ 0 0 18 0, 0.0 4,-2.6 0, 0.0 5,-0.1 0.938 126.8 47.5 -49.6 -48.9 26.8 30.6 70.6 267 125 B P H > S+ 0 0 71 0, 0.0 4,-1.6 0, 0.0 5,-0.1 0.865 111.0 50.7 -62.2 -35.1 23.6 32.7 70.6 268 126 B V H > S+ 0 0 15 -3,-0.2 4,-1.4 2,-0.2 -4,-0.1 0.917 110.2 50.2 -67.2 -42.6 25.5 35.9 69.7 269 127 B Q H >X S+ 0 0 0 -4,-3.2 4,-2.1 1,-0.2 3,-0.5 0.938 105.8 56.5 -60.4 -44.9 27.1 34.0 66.8 270 128 B A H 3X S+ 0 0 12 -4,-2.6 4,-1.3 -5,-0.3 -1,-0.2 0.903 104.3 53.1 -54.2 -42.1 23.6 32.8 65.6 271 129 B A H 3X S+ 0 0 1 -4,-1.6 4,-1.4 1,-0.2 -1,-0.3 0.856 110.4 48.0 -62.6 -35.2 22.4 36.4 65.5 272 130 B Y H < S+ 0 0 82 -4,-1.8 3,-0.5 2,-0.2 -1,-0.2 0.911 113.5 47.2 -68.9 -42.6 21.9 37.5 49.8 282 140 B A H >< S+ 0 0 8 -4,-1.9 3,-1.9 1,-0.2 -2,-0.2 0.900 107.5 55.2 -65.6 -42.7 21.2 41.1 49.2 283 141 B L H 3< S+ 0 0 18 -4,-2.8 3,-0.3 1,-0.3 -1,-0.2 0.691 109.1 51.4 -65.5 -16.2 24.7 41.7 47.6 284 142 B A T X< S+ 0 0 16 -4,-0.6 3,-1.7 -3,-0.5 -1,-0.3 0.106 70.7 114.6-108.5 21.8 23.7 38.9 45.2 285 143 B H G X S+ 0 0 78 -3,-1.9 3,-1.0 1,-0.3 -1,-0.2 0.709 70.7 63.4 -64.0 -21.1 20.3 40.3 44.1 286 144 B K G 3 S+ 0 0 101 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.609 100.4 53.3 -78.3 -12.0 21.6 40.7 40.6 287 145 B Y G < 0 0 89 -3,-1.7 -1,-0.2 0, 0.0 -2,-0.2 0.307 360.0 360.0 -99.6 4.1 22.1 37.0 40.4 288 146 B H < 0 0 150 -3,-1.0 -3,-0.1 -4,-0.1 0, 0.0 -0.130 360.0 360.0 -94.9 360.0 18.4 36.5 41.5