==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER MUSCLE PROTEIN 19-JAN-96 1WDC . COMPND 2 MOLECULE: SCALLOP MYOSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ARGOPECTEN IRRADIANS; . AUTHOR A.HOUDUSSE,C.COHEN . 358 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19486.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 262 73.2 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 . 13 3.6 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 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 12 3.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 44 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 181 50.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.8 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 1 1 1 4 4 4 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 1 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 3 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 1 774 A R 0 0 258 0, 0.0 4,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 47.6 -31.4 8.9 91.1 2 775 A D > + 0 0 115 2,-0.2 4,-3.5 3,-0.1 5,-0.2 0.874 360.0 52.5-102.6 -61.8 -27.6 8.3 90.9 3 776 A E H > S+ 0 0 164 1,-0.3 4,-2.6 2,-0.2 5,-0.1 0.843 116.3 47.8 -48.6 -34.0 -26.7 6.8 87.6 4 777 A R H > S+ 0 0 92 2,-0.2 4,-2.7 1,-0.2 -1,-0.3 0.882 108.7 50.7 -78.1 -38.0 -28.6 9.7 86.2 5 778 A L H > S+ 0 0 31 -4,-0.3 4,-1.9 2,-0.2 -2,-0.2 0.898 114.3 47.2 -66.1 -32.9 -26.9 12.3 88.4 6 779 A S H X S+ 0 0 37 -4,-3.5 4,-2.2 2,-0.2 -2,-0.2 0.911 111.1 48.7 -76.0 -40.5 -23.6 10.7 87.3 7 780 A K H X S+ 0 0 56 -4,-2.6 4,-1.8 -5,-0.2 -2,-0.2 0.927 112.1 51.2 -63.1 -36.6 -24.6 10.8 83.6 8 781 A I H X S+ 0 0 2 -4,-2.7 4,-1.5 1,-0.2 -2,-0.2 0.858 108.8 49.9 -72.2 -34.6 -25.7 14.4 84.1 9 782 A I H X S+ 0 0 1 -4,-1.9 4,-2.6 2,-0.2 -1,-0.2 0.904 108.0 53.7 -66.8 -45.2 -22.3 15.4 85.7 10 783 A S H X S+ 0 0 11 -4,-2.2 4,-1.6 2,-0.2 -2,-0.2 0.876 108.8 49.3 -54.4 -43.0 -20.4 13.8 82.8 11 784 A M H X S+ 0 0 3 -4,-1.8 4,-1.7 2,-0.2 276,-0.3 0.812 111.9 48.5 -68.8 -29.8 -22.4 15.8 80.3 12 785 A F H X S+ 0 0 0 -4,-1.5 4,-1.0 2,-0.2 -2,-0.2 0.844 110.3 50.3 -70.9 -42.0 -21.6 19.0 82.3 13 786 A Q H X S+ 0 0 0 -4,-2.6 4,-1.9 2,-0.2 -2,-0.2 0.839 108.0 56.3 -60.0 -32.1 -18.0 18.0 82.4 14 787 A A H X S+ 0 0 2 -4,-1.6 4,-2.0 1,-0.2 -2,-0.2 0.893 103.2 51.9 -66.4 -45.0 -18.4 17.6 78.6 15 788 A H H X S+ 0 0 15 -4,-1.7 4,-1.9 1,-0.2 -1,-0.2 0.762 109.9 51.6 -52.6 -39.4 -19.6 21.2 78.2 16 789 A I H X S+ 0 0 0 -4,-1.0 4,-1.7 2,-0.2 -2,-0.2 0.848 106.3 50.1 -72.7 -43.9 -16.5 22.2 80.2 17 790 A R H X S+ 0 0 33 -4,-1.9 4,-1.9 2,-0.2 5,-0.2 0.886 112.2 52.4 -60.8 -34.8 -14.0 20.3 78.0 18 791 A G H X S+ 0 0 0 -4,-2.0 4,-2.7 1,-0.2 5,-0.3 0.963 107.1 49.1 -60.2 -54.2 -15.7 22.0 75.1 19 792 A Y H X S+ 0 0 15 -4,-1.9 4,-1.2 1,-0.2 -1,-0.2 0.813 112.6 49.4 -53.5 -44.2 -15.4 25.5 76.5 20 793 A L H X S+ 0 0 20 -4,-1.7 4,-1.7 2,-0.2 -1,-0.2 0.797 112.2 45.8 -68.6 -45.8 -11.6 24.9 77.2 21 794 A I H X S+ 0 0 32 -4,-1.9 4,-1.0 -3,-0.3 -2,-0.2 0.887 114.1 48.2 -57.4 -51.2 -10.8 23.6 73.7 22 795 A R H X S+ 0 0 43 -4,-2.7 4,-0.6 2,-0.2 -2,-0.2 0.801 111.1 51.5 -67.8 -26.5 -12.8 26.3 71.9 23 796 A K H >< S+ 0 0 72 -4,-1.2 3,-0.7 -5,-0.3 4,-0.5 0.985 112.2 47.2 -65.1 -44.2 -11.0 28.9 74.1 24 797 A A H 3X S+ 0 0 46 -4,-1.7 4,-1.6 1,-0.3 -2,-0.2 0.536 94.9 80.0 -76.2 -16.2 -7.7 27.3 73.1 25 798 A Y H >X S+ 0 0 29 -4,-1.0 4,-2.0 1,-0.2 3,-0.6 0.956 87.6 50.7 -60.1 -55.9 -8.6 27.3 69.5 26 799 A K H S+ 0 0 116 -4,-0.5 4,-1.9 2,-0.2 -1,-0.3 0.846 106.6 52.7 -77.8 -37.9 -4.4 30.7 70.2 28 801 A L H < S+ 0 0 85 -4,-1.8 3,-1.3 1,-0.2 4,-0.3 0.938 112.0 49.2 -64.0 -44.9 19.8 28.5 52.2 48 821 A L H >< S+ 0 0 29 -4,-2.4 3,-1.7 1,-0.3 -2,-0.2 0.915 103.2 62.3 -62.9 -31.7 21.4 31.9 52.2 49 822 A R H 3< S+ 0 0 98 -4,-2.9 -1,-0.3 1,-0.3 -2,-0.2 0.643 108.7 40.9 -73.3 -15.5 24.3 30.5 54.4 50 823 A N T << S+ 0 0 124 -3,-1.3 2,-0.6 -4,-0.5 -1,-0.3 0.243 84.7 112.5-114.5 8.5 25.3 28.0 51.7 51 824 A W <> - 0 0 16 -3,-1.7 4,-2.5 -4,-0.3 3,-0.3 -0.775 66.2-140.0 -83.3 122.8 24.9 30.3 48.7 52 825 A Q H > S+ 0 0 40 -2,-0.6 4,-2.8 2,-0.2 5,-0.2 0.842 100.7 55.0 -53.6 -42.0 28.4 30.9 47.3 53 826 A W H > S+ 0 0 0 2,-0.2 4,-3.5 1,-0.2 5,-0.2 0.956 111.2 45.9 -57.5 -43.4 27.7 34.6 46.5 54 827 A W H > S+ 0 0 37 -3,-0.3 4,-3.1 1,-0.2 -2,-0.2 0.916 111.3 51.8 -62.4 -52.9 26.7 35.1 50.2 55 828 A K H X S+ 0 0 71 -4,-2.5 4,-1.2 -7,-0.2 -1,-0.2 0.881 114.2 44.8 -49.7 -41.6 29.8 33.1 51.4 56 829 A L H >X S+ 0 0 7 -4,-2.8 4,-1.2 -5,-0.2 3,-1.0 0.987 113.5 47.2 -71.2 -56.3 31.9 35.4 49.2 57 830 A Y H 3X S+ 0 0 1 -4,-3.5 4,-1.0 1,-0.2 3,-0.5 0.864 107.7 59.6 -49.3 -38.2 30.2 38.6 50.3 58 831 A S H 3< S+ 0 0 45 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.851 105.5 46.4 -67.3 -28.2 30.5 37.5 53.9 59 832 A K H << S+ 0 0 103 -4,-1.2 4,-0.4 -3,-1.0 -1,-0.2 0.674 114.8 45.8 -81.9 -24.4 34.3 37.3 53.8 60 833 A V H X S+ 0 0 0 -4,-1.2 4,-0.6 -3,-0.5 -1,-0.2 0.470 92.8 84.5 -93.5 -10.4 34.8 40.7 52.0 61 834 A K T >< S+ 0 0 82 -4,-1.0 3,-0.5 -5,-0.3 -2,-0.2 0.919 92.3 44.9 -57.9 -43.9 32.3 42.2 54.5 62 835 A P T 34 S+ 0 0 94 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.869 104.2 59.8 -63.7 -45.2 35.1 42.8 57.1 63 836 A L T 34 0 0 95 -4,-0.4 -2,-0.1 14,-0.0 -3,-0.1 0.608 360.0 360.0 -64.9 -17.7 37.8 44.2 54.8 64 837 A L << 0 0 90 -4,-0.6 13,-0.0 -3,-0.5 9,-0.0 -0.108 360.0 360.0 -67.3 360.0 35.7 47.2 53.8 65 !* 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 66 12 B L 0 0 73 0, 0.0 2,-0.1 0, 0.0 65,-0.0 0.000 360.0 360.0 360.0 146.3 17.7 46.6 49.1 67 13 B P > - 0 0 75 0, 0.0 4,-3.1 0, 0.0 3,-0.3 -0.321 360.0-107.7 -65.8 163.4 18.0 49.8 51.3 68 14 B Q H > S+ 0 0 172 1,-0.3 4,-3.5 2,-0.2 5,-0.2 0.922 118.4 50.2 -68.9 -49.3 20.5 52.5 50.4 69 15 B K H > S+ 0 0 113 1,-0.2 4,-1.2 2,-0.2 -1,-0.3 0.793 116.9 44.7 -52.6 -39.6 23.1 51.8 53.0 70 16 B Q H > S+ 0 0 31 -3,-0.3 4,-1.3 2,-0.2 -2,-0.2 0.872 111.7 49.4 -70.5 -49.1 23.0 48.2 51.9 71 17 B I H X S+ 0 0 62 -4,-3.1 4,-1.0 1,-0.2 3,-0.5 0.923 113.0 50.8 -57.8 -32.9 23.0 49.0 48.2 72 18 B Q H X S+ 0 0 124 -4,-3.5 4,-0.8 1,-0.3 -1,-0.2 0.832 105.2 55.1 -76.8 -32.3 26.0 51.2 49.1 73 19 B E H X S+ 0 0 54 -4,-1.2 4,-1.2 1,-0.2 -1,-0.3 0.729 104.8 53.9 -65.2 -36.7 27.7 48.4 51.0 74 20 B M H X S+ 0 0 0 -4,-1.3 4,-2.9 -3,-0.5 -1,-0.2 0.700 99.4 61.2 -71.6 -34.9 27.6 46.1 47.9 75 21 B K H X S+ 0 0 89 -4,-1.0 4,-1.3 2,-0.2 -1,-0.2 0.841 109.3 42.9 -51.1 -44.5 29.2 48.7 45.7 76 22 B E H < S+ 0 0 84 -4,-0.8 4,-0.3 2,-0.2 -2,-0.2 0.796 114.5 48.6 -78.0 -37.1 32.3 48.5 48.0 77 23 B A H >X S+ 0 0 0 -4,-1.2 4,-1.8 1,-0.2 3,-1.4 0.939 111.4 53.5 -62.4 -42.6 32.1 44.7 48.2 78 24 B F H 3X S+ 0 0 8 -4,-2.9 4,-1.8 1,-0.3 -2,-0.2 0.785 104.2 52.5 -64.5 -35.5 31.8 44.7 44.4 79 25 B S H 3< S+ 0 0 63 -4,-1.3 -1,-0.3 2,-0.2 -2,-0.2 0.492 111.6 46.8 -85.2 0.9 34.9 46.8 43.8 80 26 B M H <4 S+ 0 0 45 -3,-1.4 -2,-0.2 -4,-0.3 -1,-0.2 0.652 113.5 47.3-101.6 -36.3 37.1 44.5 45.9 81 27 B I H < S+ 0 0 1 -4,-1.8 2,-2.5 1,-0.2 16,-0.3 0.807 98.3 74.5 -66.8 -34.7 35.7 41.4 44.2 82 28 B D >< + 0 0 8 -4,-1.8 3,-2.5 -5,-0.2 5,-0.2 -0.318 69.7 174.1 -79.2 69.0 36.3 43.2 40.9 83 29 B V T 3 S+ 0 0 73 -2,-2.5 -1,-0.2 1,-0.3 6,-0.1 0.754 71.1 42.4 -56.9 -35.3 40.0 42.6 41.3 84 30 B D T 3 S- 0 0 82 -3,-0.2 -1,-0.3 4,-0.2 -2,-0.1 0.273 102.8-129.8 -93.8 18.9 41.1 43.9 37.9 85 31 B R < + 0 0 201 -3,-2.5 -2,-0.1 -6,-0.1 4,-0.1 0.772 67.9 126.7 6.6 75.5 38.8 46.9 38.0 86 32 B D S S- 0 0 84 2,-0.4 -1,-0.1 -4,-0.1 3,-0.1 0.334 80.4-108.2-111.0 -8.6 37.2 46.7 34.6 87 33 B G S S+ 0 0 28 1,-0.3 36,-0.4 -5,-0.2 2,-0.3 0.553 90.8 82.1 96.3 -1.6 33.7 46.8 36.1 88 34 B F S S- 0 0 94 34,-0.2 2,-0.5 35,-0.1 -2,-0.4 -0.876 74.7-126.0-123.5 159.7 32.6 43.2 35.6 89 35 B V - 0 0 7 32,-1.4 32,-0.4 -2,-0.3 2,-0.2 -0.961 31.1-172.4-108.1 122.7 33.3 40.3 37.8 90 36 B S > - 0 0 29 -2,-0.5 4,-1.9 30,-0.1 3,-0.4 -0.704 41.9-102.0-103.1 175.1 34.9 37.3 35.9 91 37 B K H > S+ 0 0 59 1,-0.2 4,-1.8 -2,-0.2 5,-0.1 0.887 124.8 56.0 -64.0 -26.9 35.7 33.8 37.0 92 38 B E H > S+ 0 0 127 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.801 105.9 48.1 -74.2 -39.1 39.3 35.0 37.3 93 39 B D H > S+ 0 0 4 -3,-0.4 4,-3.0 2,-0.2 5,-0.3 0.907 110.4 49.9 -65.5 -57.7 38.4 37.9 39.7 94 40 B I H X S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.878 114.5 47.5 -43.1 -47.2 36.3 35.7 42.0 95 41 B K H X S+ 0 0 86 -4,-1.8 4,-2.7 -5,-0.2 5,-0.2 0.924 111.5 48.8 -65.4 -44.9 39.3 33.2 42.1 96 42 B A H X S+ 0 0 39 -4,-2.2 4,-0.7 2,-0.2 -2,-0.2 0.957 117.4 40.9 -61.8 -49.3 41.9 35.9 42.7 97 43 B I H X S+ 0 0 3 -4,-3.0 4,-0.8 -16,-0.3 3,-0.3 0.902 116.0 51.2 -66.5 -36.8 39.8 37.4 45.6 98 44 B S H >X S+ 0 0 13 -4,-2.5 3,-1.7 1,-0.3 4,-1.5 0.944 108.5 49.0 -63.4 -53.3 38.8 34.0 47.0 99 45 B E H 3< S+ 0 0 106 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.642 109.8 56.1 -61.1 -26.6 42.4 32.6 47.1 100 46 B Q H 3< S+ 0 0 136 -4,-0.7 -1,-0.3 -3,-0.3 -2,-0.2 0.663 110.3 42.3 -70.0 -26.8 43.2 35.9 48.8 101 47 B L H << S- 0 0 43 -3,-1.7 2,-0.3 -4,-0.8 -2,-0.2 0.638 127.4 -70.7 -99.4 -12.9 40.6 35.4 51.6 102 48 B G S < S+ 0 0 39 -4,-1.5 -1,-0.3 -5,-0.1 2,-0.0 -0.979 95.0 2.4 152.5-156.7 41.2 31.7 52.3 103 49 B R S S- 0 0 243 -2,-0.3 -3,-0.1 -3,-0.1 -2,-0.0 -0.421 73.7-135.6 -65.0 127.1 40.6 28.4 50.5 104 50 B A - 0 0 38 -5,-0.1 2,-0.2 1,-0.1 -9,-0.1 -0.565 22.6-102.8 -79.1 154.7 39.0 29.2 47.2 105 51 B P - 0 0 26 0, 0.0 5,-0.1 0, 0.0 -1,-0.1 -0.524 48.5 -87.9 -72.6 157.3 36.0 27.2 46.0 106 52 B D >> - 0 0 86 -2,-0.2 4,-1.5 1,-0.1 3,-1.0 -0.213 36.5-113.2 -69.4 149.0 36.6 24.6 43.3 107 53 B D H 3> S+ 0 0 70 1,-0.3 4,-1.8 2,-0.2 5,-0.1 0.717 118.0 63.0 -64.7 -17.3 36.4 25.9 39.8 108 54 B K H 3> S+ 0 0 169 2,-0.2 4,-2.0 1,-0.2 -1,-0.3 0.937 108.1 44.7 -62.7 -39.4 33.3 23.8 39.2 109 55 B E H <> S+ 0 0 87 -3,-1.0 4,-1.6 1,-0.2 -2,-0.2 0.743 111.6 51.0 -75.5 -34.8 31.7 26.0 41.9 110 56 B L H X S+ 0 0 2 -4,-1.5 4,-1.1 2,-0.2 -1,-0.2 0.822 108.7 53.0 -65.2 -44.1 33.2 29.2 40.4 111 57 B T H >X S+ 0 0 61 -4,-1.8 4,-1.5 -5,-0.2 3,-0.9 0.992 110.9 48.0 -53.7 -51.1 31.8 28.3 37.0 112 58 B A H 3< S+ 0 0 48 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.785 104.1 54.3 -69.8 -35.4 28.4 27.8 38.5 113 59 B M H >< S+ 0 0 4 -4,-1.6 3,-0.5 1,-0.2 4,-0.3 0.793 109.6 52.5 -73.4 -16.5 28.0 31.0 40.6 114 60 B L H X< S+ 0 0 41 -4,-1.1 3,-1.5 -3,-0.9 -2,-0.2 0.858 96.5 64.9 -80.7 -36.9 28.7 32.9 37.3 115 61 B K T 3< S+ 0 0 168 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.407 89.1 73.7 -57.9 -6.1 26.0 31.0 35.5 116 62 B E T < S+ 0 0 82 -3,-0.5 -1,-0.2 1,-0.1 -2,-0.2 0.827 80.8 75.5 -84.5 -28.6 23.8 32.8 37.9 117 63 B A S < S- 0 0 13 -3,-1.5 4,-0.1 -4,-0.3 -1,-0.1 -0.709 73.8-150.0 -81.4 117.0 24.2 36.1 36.1 118 64 B P S S- 0 0 123 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.868 78.4 -3.3 -51.1 -50.7 22.1 36.1 32.8 119 65 B G S S- 0 0 37 1,-0.2 2,-0.1 -3,-0.1 -2,-0.1 -0.316 117.1 -17.1-121.4-149.0 24.5 38.4 31.0 120 66 B P - 0 0 101 0, 0.0 2,-1.6 0, 0.0 -1,-0.2 -0.373 63.9-121.5 -61.1 143.8 27.7 40.4 31.9 121 67 B L + 0 0 7 -32,-0.4 -32,-1.4 -4,-0.1 2,-0.1 -0.473 52.7 144.6 -96.1 68.5 28.4 40.8 35.6 122 68 B N > - 0 0 60 -2,-1.6 4,-1.8 -34,-0.2 3,-0.2 -0.270 69.5 -86.5 -83.1 178.4 28.5 44.5 36.2 123 69 B F H > S+ 0 0 33 -36,-0.4 4,-3.3 1,-0.2 5,-0.3 0.904 126.3 57.8 -56.6 -38.3 27.3 46.1 39.4 124 70 B T H > S+ 0 0 106 1,-0.3 4,-1.5 2,-0.2 -1,-0.2 0.898 111.1 41.3 -63.2 -39.6 23.7 46.4 38.2 125 71 B M H > S+ 0 0 36 -3,-0.2 4,-1.6 -5,-0.2 -1,-0.3 0.830 115.7 54.2 -76.0 -25.1 23.5 42.7 37.5 126 72 B F H X S+ 0 0 0 -4,-1.8 4,-1.1 2,-0.2 -2,-0.2 0.887 107.5 47.0 -70.9 -59.4 25.4 42.1 40.9 127 73 B L H X S+ 0 0 28 -4,-3.3 4,-2.9 1,-0.2 3,-0.4 0.918 111.8 55.2 -42.3 -47.0 22.9 44.1 42.9 128 74 B S H X S+ 0 0 43 -4,-1.5 4,-2.2 -5,-0.3 -2,-0.2 0.786 102.5 50.7 -68.5 -38.0 20.1 42.2 41.2 129 75 B I H X S+ 0 0 12 -4,-1.6 4,-1.0 2,-0.2 -1,-0.2 0.756 115.2 46.1 -69.6 -29.1 21.2 38.6 41.9 130 76 B F H X S+ 0 0 0 -4,-1.1 4,-3.5 -3,-0.4 3,-0.3 0.944 111.1 51.3 -74.1 -47.1 21.5 39.6 45.6 131 77 B S H < S+ 0 0 31 -4,-2.9 4,-0.4 1,-0.3 -2,-0.2 0.897 110.4 49.3 -61.5 -39.3 18.2 41.4 45.7 132 78 B D H >< S+ 0 0 113 -4,-2.2 3,-0.6 1,-0.2 -1,-0.3 0.902 117.1 41.2 -63.2 -38.9 16.4 38.4 44.1 133 79 B K H 3< S+ 0 0 87 -4,-1.0 -2,-0.2 -3,-0.3 -1,-0.2 0.921 114.8 52.0 -75.1 -34.0 18.0 36.1 46.7 134 80 B L T 3< S+ 0 0 40 -4,-3.5 3,-0.2 -5,-0.1 -1,-0.2 0.287 98.5 79.3 -95.3 9.2 17.5 38.5 49.6 135 81 B S < + 0 0 65 -3,-0.6 3,-0.1 -4,-0.4 -3,-0.0 -0.538 64.2 55.2-111.4 172.8 13.9 39.1 49.0 136 82 B G S S+ 0 0 67 1,-0.3 2,-0.3 -2,-0.2 -1,-0.2 0.799 82.9 114.3 78.0 29.4 10.7 37.1 49.9 137 83 B T - 0 0 47 -3,-0.2 -1,-0.3 -93,-0.0 2,-0.2 -0.825 69.8-100.2-131.5 154.7 11.6 37.0 53.5 138 84 B D - 0 0 35 -2,-0.3 5,-0.0 -101,-0.2 -1,-0.0 -0.500 37.3-102.4 -80.8 151.0 9.9 38.6 56.5 139 85 B S > - 0 0 57 -2,-0.2 4,-1.9 1,-0.1 5,-0.2 -0.217 33.8-108.2 -62.2 168.6 10.9 41.8 58.3 140 86 B E H > S+ 0 0 52 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.872 120.0 53.3 -70.9 -34.3 12.8 41.6 61.6 141 87 B E H > S+ 0 0 125 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.929 107.8 50.3 -66.0 -43.0 9.7 42.8 63.5 142 88 B T H > S+ 0 0 51 2,-0.2 4,-1.1 1,-0.2 -2,-0.2 0.887 114.1 44.9 -59.3 -44.7 7.5 40.1 61.9 143 89 B I H X S+ 0 0 3 -4,-1.9 4,-1.6 2,-0.2 3,-0.3 0.916 112.7 50.1 -70.2 -43.4 10.0 37.4 62.9 144 90 B R H X S+ 0 0 67 -4,-3.0 4,-1.9 1,-0.2 -2,-0.2 0.923 111.2 49.8 -61.2 -39.1 10.6 38.7 66.4 145 91 B N H X S+ 0 0 85 -4,-2.6 4,-1.1 1,-0.2 -1,-0.2 0.742 104.9 57.3 -68.8 -30.1 6.8 38.9 67.0 146 92 B A H < S+ 0 0 3 -4,-1.1 -1,-0.2 -3,-0.3 -2,-0.2 0.892 110.2 44.0 -65.7 -43.2 6.3 35.3 65.8 147 93 B F H >< S+ 0 0 1 -4,-1.6 3,-1.8 1,-0.2 -2,-0.2 0.853 107.1 61.7 -63.2 -42.1 8.7 34.1 68.5 148 94 B A H >< S+ 0 0 31 -4,-1.9 3,-2.5 1,-0.3 6,-0.2 0.796 85.9 73.6 -63.8 -24.6 7.1 36.4 71.1 149 95 B M T 3< S+ 0 0 66 -4,-1.1 -1,-0.3 1,-0.3 3,-0.2 0.575 100.6 46.5 -56.3 -18.4 3.8 34.5 70.6 150 96 B F T < S+ 0 0 3 -3,-1.8 -1,-0.3 1,-0.2 2,-0.2 0.262 102.6 67.7-109.8 7.8 5.5 31.8 72.6 151 97 B D X + 0 0 9 -3,-2.5 3,-1.9 1,-0.1 5,-0.2 -0.669 57.7 169.5-126.7 73.3 6.9 34.2 75.3 152 98 B E T 3 S+ 0 0 108 1,-0.3 -1,-0.1 -2,-0.2 -4,-0.0 0.818 76.0 52.1 -67.4 -27.1 3.8 35.4 77.2 153 99 B Q T 3 S- 0 0 167 1,-0.0 -1,-0.3 0, 0.0 -2,-0.0 0.393 108.4-123.6 -85.1 2.9 5.6 37.1 80.0 154 100 B E < + 0 0 149 -3,-1.9 -2,-0.1 -6,-0.2 -6,-0.0 0.813 59.9 150.1 49.4 47.6 7.7 39.0 77.5 155 101 B T - 0 0 78 2,-0.2 -1,-0.1 -7,-0.1 3,-0.1 0.668 54.7-131.8 -77.3 -13.8 10.9 37.7 79.0 156 102 B K S S+ 0 0 87 1,-0.3 40,-0.6 -5,-0.2 2,-0.3 0.734 76.9 82.7 61.9 26.3 12.5 37.9 75.5 157 103 B K - 0 0 56 37,-0.2 2,-0.3 38,-0.1 -1,-0.3 -0.918 63.7-148.0-142.3 163.8 13.9 34.4 75.8 158 104 B L E -A 193 0A 7 35,-1.8 35,-2.2 -2,-0.3 2,-0.1 -0.966 34.9-102.5-128.2 143.3 12.6 30.9 75.2 159 105 B N E >> -A 192 0A 88 -2,-0.3 4,-1.7 33,-0.2 3,-0.6 -0.481 33.1-123.2 -61.0 143.9 13.7 27.9 77.1 160 106 B I H 3> S+ 0 0 33 31,-3.2 4,-2.0 1,-0.2 5,-0.2 0.898 109.1 51.1 -60.4 -34.3 16.1 26.0 74.9 161 107 B E H 3> S+ 0 0 114 30,-0.3 4,-1.4 1,-0.2 -1,-0.2 0.794 107.3 53.4 -75.8 -32.1 14.1 22.8 75.2 162 108 B Y H <> S+ 0 0 81 -3,-0.6 4,-2.5 2,-0.2 -1,-0.2 0.977 109.2 46.1 -67.7 -51.5 10.8 24.5 74.2 163 109 B I H X S+ 0 0 1 -4,-1.7 4,-2.3 1,-0.2 5,-0.2 0.918 112.8 50.7 -64.3 -34.7 12.1 26.1 71.0 164 110 B K H X S+ 0 0 82 -4,-2.0 4,-2.6 -5,-0.2 5,-0.3 0.900 111.5 49.5 -62.6 -40.3 13.8 22.8 69.9 165 111 B D H X S+ 0 0 66 -4,-1.4 4,-1.8 -5,-0.2 5,-0.3 0.913 110.4 49.4 -69.1 -39.3 10.6 20.9 70.5 166 112 B L H X S+ 0 0 4 -4,-2.5 4,-1.1 2,-0.2 -2,-0.2 0.957 117.6 40.4 -60.2 -48.8 8.5 23.5 68.5 167 113 B L H < S+ 0 0 1 -4,-2.3 7,-2.3 1,-0.2 -2,-0.2 0.858 122.9 36.1 -72.8 -38.9 10.9 23.3 65.5 168 114 B E H < S+ 0 0 77 -4,-2.6 -1,-0.2 5,-0.2 -2,-0.2 0.759 125.9 31.2 -88.5 -29.0 11.6 19.7 65.4 169 115 B N H < S+ 0 0 77 -4,-1.8 2,-0.3 -5,-0.3 -2,-0.2 0.485 113.7 49.0-115.2 -11.0 8.3 18.1 66.4 170 116 B M S < S+ 0 0 27 -4,-1.1 4,-0.2 -5,-0.3 57,-0.2 -0.909 96.1 4.8-133.4 166.7 5.7 20.4 65.2 171 117 B G S S- 0 0 0 55,-2.6 59,-2.7 -2,-0.3 2,-1.4 -0.431 129.7 -9.8 65.8-140.0 4.6 22.3 62.2 172 118 B D S S- 0 0 58 57,-0.2 -1,-0.1 -2,-0.1 -2,-0.1 -0.724 98.6-129.7 -87.1 82.6 6.7 21.6 59.1 173 119 B N - 0 0 70 -2,-1.4 -5,-0.2 -4,-0.1 2,-0.1 0.005 8.2-127.2 -42.5 134.3 9.3 19.6 61.2 174 120 B F - 0 0 6 -7,-2.3 2,-0.2 -4,-0.2 -1,-0.1 -0.468 25.3-131.3 -70.7 145.6 13.1 20.4 61.0 175 121 B N > - 0 0 83 -2,-0.1 4,-2.4 1,-0.0 5,-0.2 -0.497 34.9 -89.5 -94.1 173.7 15.2 17.3 60.3 176 122 B K H > S+ 0 0 164 1,-0.2 4,-3.0 2,-0.2 5,-0.1 0.782 126.5 49.2 -61.4 -21.8 18.3 16.6 62.3 177 123 B D H > S+ 0 0 84 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.919 109.6 47.0 -92.2 -35.8 20.5 18.6 60.0 178 124 B E H > S+ 0 0 38 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.867 117.6 48.1 -63.8 -31.4 18.4 21.7 59.9 179 125 B M H X S+ 0 0 15 -4,-2.4 4,-2.0 2,-0.2 5,-0.3 0.960 110.8 48.6 -72.3 -49.2 18.3 21.3 63.7 180 126 B R H X S+ 0 0 130 -4,-3.0 4,-1.3 -5,-0.2 -2,-0.2 0.919 116.2 45.0 -51.1 -45.2 22.0 20.7 63.9 181 127 B M H X S+ 0 0 61 -4,-2.5 4,-0.5 1,-0.2 -1,-0.2 0.780 109.7 52.1 -77.0 -35.3 22.6 23.8 61.7 182 128 B T H >X S+ 0 0 0 -4,-1.9 4,-0.7 1,-0.2 3,-0.6 0.925 116.2 38.8 -66.2 -46.2 20.2 26.2 63.4 183 129 B F H 3< S+ 0 0 30 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.621 97.5 76.3 -92.0 -10.6 21.5 25.7 66.8 184 130 B K H 3< S+ 0 0 135 -4,-1.3 -1,-0.2 -5,-0.3 -2,-0.2 0.863 111.6 31.6 -53.3 -31.5 25.2 25.5 65.8 185 131 B E H << S+ 0 0 81 -3,-0.6 -2,-0.2 -4,-0.5 -1,-0.2 0.735 94.9 120.3-104.6 -14.7 24.8 29.3 65.5 186 132 B A < - 0 0 17 -4,-0.7 2,-0.9 1,-0.1 9,-0.1 -0.030 65.7-121.0 -72.1 138.8 22.2 30.2 68.2 187 133 B P + 0 0 43 0, 0.0 7,-2.9 0, 0.0 2,-0.4 -0.673 47.0 163.5 -76.5 100.3 22.6 32.5 71.2 188 134 B V E +B 193 0A 66 -2,-0.9 2,-0.3 5,-0.2 5,-0.2 -0.995 6.2 163.1-123.2 128.2 21.9 30.1 74.2 189 135 B E E > -B 192 0A 167 3,-1.4 3,-1.5 -2,-0.4 -29,-0.1 -0.927 67.9 -3.9-146.2 130.5 22.9 30.9 77.8 190 136 B G T 3 S- 0 0 74 -2,-0.3 3,-0.1 1,-0.3 -30,-0.0 0.907 130.3 -54.5 54.5 38.1 21.7 29.4 81.1 191 137 B G T 3 S+ 0 0 35 1,-0.2 -31,-3.2 -32,-0.1 2,-0.6 0.496 113.7 118.8 75.8 7.6 19.2 27.3 79.2 192 138 B K E < -AB 159 189A 97 -3,-1.5 -3,-1.4 -33,-0.3 2,-0.3 -0.896 55.1-146.9-115.2 123.5 17.7 30.3 77.4 193 139 B F E -AB 158 188A 2 -35,-2.2 -35,-1.8 -2,-0.6 2,-1.2 -0.515 16.5-138.9 -78.7 123.6 17.6 30.9 73.7 194 140 B D > + 0 0 39 -7,-2.9 4,-2.5 -2,-0.3 5,-0.2 -0.666 25.3 176.0 -88.3 89.8 17.8 34.6 72.9 195 141 B Y H > S+ 0 0 1 -2,-1.2 4,-1.4 1,-0.2 -1,-0.2 0.657 76.1 60.1 -71.4 -18.3 15.3 35.0 70.0 196 142 B V H > S+ 0 0 31 -40,-0.6 4,-1.8 2,-0.2 -1,-0.2 0.957 113.3 37.7 -73.3 -39.7 15.7 38.8 69.8 197 143 B K H > S+ 0 0 102 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.792 114.0 54.6 -78.4 -41.3 19.4 38.3 69.0 198 144 B F H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.846 106.4 53.1 -56.0 -41.6 18.9 35.3 66.9 199 145 B T H X S+ 0 0 0 -4,-1.4 4,-1.6 -5,-0.2 6,-0.2 0.951 109.3 47.9 -62.1 -48.3 16.4 37.3 64.8 200 146 B A H >X>S+ 0 0 0 -4,-1.8 4,-1.5 1,-0.2 6,-1.3 0.953 113.4 48.9 -52.1 -48.9 19.0 40.0 64.2 201 147 B M H 3<5S+ 0 0 22 -4,-2.3 -1,-0.2 5,-0.2 -2,-0.2 0.820 111.7 48.9 -55.1 -45.3 21.5 37.3 63.3 202 148 B I H 3<5S+ 0 0 18 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.723 121.4 35.4 -72.8 -16.6 19.0 35.7 60.9 203 149 B K H <<5S- 0 0 74 -4,-1.6 -2,-0.2 -3,-0.6 -1,-0.2 0.384 110.3-115.3-116.1 -4.7 18.3 39.1 59.3 204 150 B G T <5S+ 0 0 41 -4,-1.5 -3,-0.2 -5,-0.2 -4,-0.1 0.374 86.0 115.3 88.0 -7.6 21.8 40.7 59.5 205 151 B S S > - 0 0 70 3,-0.1 4,-1.4 2,-0.1 3,-0.5 0.600 360.0-111.2 73.2 130.0 -23.7 20.2 54.8 211 5 C Q H >> S+ 0 0 109 1,-0.2 4,-2.4 2,-0.2 3,-1.3 0.964 118.0 56.7 -55.7 -49.3 -20.8 21.1 52.5 212 6 C D H 3> S+ 0 0 111 1,-0.3 4,-1.2 2,-0.2 -1,-0.2 0.782 106.2 48.7 -48.7 -41.9 -20.1 24.2 54.7 213 7 C E H <> S+ 0 0 76 -3,-0.5 4,-1.7 -4,-0.3 -1,-0.3 0.748 109.8 53.1 -73.8 -25.9 -19.7 22.0 57.8 214 8 C I H < S+ 0 0 2 -4,-2.0 3,-0.9 -5,-0.2 -1,-0.2 0.948 104.2 50.6 -63.0 -42.5 -2.5 18.3 61.6 226 20 C F H >< S+ 0 0 1 -4,-1.9 -55,-2.6 1,-0.2 3,-1.8 0.887 104.5 59.1 -59.8 -40.9 0.2 21.0 61.6 227 21 C W H 3< S+ 0 0 40 -4,-1.3 -1,-0.2 1,-0.3 -2,-0.2 0.635 110.1 39.5 -77.2 -15.0 0.4 20.9 65.4 228 22 C D T << S- 0 0 41 -3,-0.9 -1,-0.3 -4,-0.8 -2,-0.2 0.184 142.4 -66.9-111.3 26.2 1.4 17.3 65.5 229 23 C G < - 0 0 2 -3,-1.8 2,-0.7 -5,-0.1 4,-0.3 0.521 59.1 -92.6 98.0 112.6 3.6 17.8 62.5 230 24 C R S S+ 0 0 97 -59,-2.7 -4,-0.2 -4,-0.4 4,-0.1 -0.363 76.8 121.6 -68.8 101.1 2.1 18.6 59.1 231 25 C D S S- 0 0 113 -2,-0.7 -1,-0.2 2,-0.3 3,-0.1 0.114 84.9 -95.9-146.4 24.2 1.6 15.3 57.3 232 26 C G S S+ 0 0 39 1,-0.1 39,-0.4 -10,-0.1 2,-0.3 0.728 97.1 94.8 66.1 17.8 -2.1 15.0 56.4 233 27 C A - 0 0 18 -4,-0.3 2,-0.4 37,-0.2 -2,-0.3 -0.972 57.8-155.7-138.1 131.3 -2.9 12.9 59.5 234 28 C V E -C 269 0B 0 35,-2.7 35,-2.6 -2,-0.3 -9,-0.1 -0.880 36.4-100.9-100.8 136.7 -4.2 14.2 62.9 235 29 C D E > -C 268 0B 11 -2,-0.4 3,-2.6 -11,-0.3 33,-0.3 -0.314 24.3-130.0 -58.7 136.1 -3.5 11.9 66.0 236 30 C A G > S+ 0 0 1 31,-2.9 25,-1.4 1,-0.3 3,-0.5 0.584 106.5 68.1 -71.5 -2.0 -6.7 9.9 67.1 237 31 C F G 3 S+ 0 0 87 30,-0.4 -1,-0.3 1,-0.2 3,-0.3 0.715 97.2 51.7 -86.4 -17.5 -6.1 11.2 70.6 238 32 C K G <> S+ 0 0 59 -3,-2.6 4,-1.5 1,-0.2 -1,-0.2 0.295 80.4 105.5 -95.5 11.0 -7.1 14.7 69.4 239 33 C L H X> 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