==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER UNKNOWN FUNCTION 23-FEB-07 2OYY . COMPND 2 MOLECULE: HEXAMERIC CYTOCHROME; . SOURCE 2 ORGANISM_SCIENTIFIC: SILICIBACTER POMEROYI; . AUTHOR H.DOBBEK . 568 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27301.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 460 81.0 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 . 18 3.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 72 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 354 62.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 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 0 0 0 0 1 0 7 0 0 0 0 0 0 0 8 0 8 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 T 0 0 70 0, 0.0 387,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 74.0 -26.7 6.6 -6.1 2 2 A W + 0 0 63 1,-0.2 387,-0.0 2,-0.1 386,-0.0 0.763 360.0 45.4 -88.3 -33.6 -23.9 8.1 -4.0 3 3 A L + 0 0 1 1,-0.2 81,-0.8 18,-0.0 -1,-0.2 -0.651 60.9 154.1-115.2 79.4 -20.9 7.0 -6.2 4 4 A P - 0 0 82 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.920 67.5 -14.6 -68.2 -47.5 -21.8 7.7 -9.8 5 5 A T - 0 0 68 2,-0.1 138,-0.1 77,-0.1 77,-0.0 -0.955 39.6-137.7-152.1 168.3 -18.3 8.0 -11.2 6 6 A L S S+ 0 0 0 136,-0.4 2,-0.3 -2,-0.3 62,-0.1 0.405 71.8 114.9-104.5 -9.4 -14.6 8.5 -10.3 7 7 A V - 0 0 92 135,-0.1 2,-0.4 60,-0.1 -2,-0.1 -0.520 47.5-174.2 -67.9 128.6 -14.2 11.0 -13.1 8 8 A T - 0 0 13 -2,-0.3 6,-0.1 56,-0.2 63,-0.1 -0.991 28.0-138.5-132.0 133.4 -13.4 14.3 -11.6 9 9 A A S S+ 0 0 80 -2,-0.4 -1,-0.1 1,-0.1 3,-0.0 0.891 88.1 21.2 -61.4 -45.0 -13.1 17.7 -13.3 10 10 A T S > S- 0 0 62 1,-0.1 4,-1.4 61,-0.1 3,-0.5 -0.932 78.0-117.2-123.9 150.5 -10.0 18.9 -11.4 11 11 A P H > S+ 0 0 64 0, 0.0 4,-1.7 0, 0.0 3,-0.5 0.884 118.7 58.7 -45.7 -40.0 -7.2 17.1 -9.5 12 12 A Q H > S+ 0 0 151 1,-0.2 4,-1.8 2,-0.2 3,-0.2 0.918 101.7 51.1 -54.9 -48.7 -8.6 19.0 -6.5 13 13 A E H > S+ 0 0 65 -3,-0.5 4,-1.4 1,-0.2 -1,-0.2 0.767 106.3 58.3 -62.5 -24.7 -12.0 17.5 -6.9 14 14 A G H X S+ 0 0 0 -4,-1.4 4,-2.2 -3,-0.5 -1,-0.2 0.901 102.7 50.6 -71.6 -42.4 -10.3 14.1 -7.0 15 15 A F H X S+ 0 0 97 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.879 111.6 48.1 -62.7 -39.6 -8.8 14.6 -3.5 16 16 A D H X S+ 0 0 85 -4,-1.8 4,-1.7 2,-0.2 -1,-0.2 0.832 111.6 50.1 -69.0 -32.9 -12.2 15.6 -2.1 17 17 A L H X S+ 0 0 21 -4,-1.4 4,-2.9 -5,-0.2 -2,-0.2 0.866 110.0 52.1 -69.4 -34.0 -13.6 12.5 -3.8 18 18 A A H X S+ 0 0 0 -4,-2.2 4,-1.3 2,-0.2 -2,-0.2 0.880 109.1 47.5 -67.5 -41.7 -10.7 10.6 -2.2 19 19 A V H X S+ 0 0 55 -4,-2.3 4,-1.7 2,-0.2 -1,-0.2 0.870 113.3 51.8 -64.2 -37.1 -11.6 11.9 1.3 20 20 A K H X S+ 0 0 86 -4,-1.7 4,-1.9 1,-0.2 3,-0.4 0.964 106.3 51.0 -64.9 -52.2 -15.2 11.0 0.5 21 21 A L H X S+ 0 0 0 -4,-2.9 4,-1.1 1,-0.2 -1,-0.2 0.785 108.7 54.2 -55.2 -30.2 -14.4 7.5 -0.5 22 22 A S H X S+ 0 0 10 -4,-1.3 4,-0.8 1,-0.2 -1,-0.2 0.890 110.3 44.5 -71.7 -41.6 -12.5 7.1 2.8 23 23 A R H X S+ 0 0 174 -4,-1.7 4,-2.8 -3,-0.4 -2,-0.2 0.771 104.8 61.1 -76.8 -28.0 -15.4 8.2 5.0 24 24 A I H X S+ 0 0 21 -4,-1.9 4,-2.1 2,-0.2 5,-0.2 0.882 99.3 56.2 -71.0 -35.0 -18.0 6.1 3.2 25 25 A A H X S+ 0 0 1 -4,-1.1 4,-1.5 -5,-0.2 -1,-0.2 0.909 111.8 45.7 -56.8 -39.3 -16.2 2.9 4.1 26 26 A V H X S+ 0 0 32 -4,-0.8 4,-1.7 2,-0.2 -2,-0.2 0.947 109.5 51.6 -68.5 -51.1 -16.5 4.1 7.6 27 27 A K H < S+ 0 0 112 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.806 111.3 50.4 -58.2 -29.9 -20.2 5.1 7.4 28 28 A K H < S+ 0 0 77 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.890 112.8 42.9 -75.4 -38.2 -21.0 1.6 6.0 29 29 A T H < S+ 0 0 19 -4,-1.5 -2,-0.2 1,-0.3 -1,-0.2 0.651 130.7 26.9 -86.3 -14.7 -19.2 -0.4 8.6 30 30 A Q < + 0 0 7 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.1 -0.559 65.5 164.4-144.6 75.5 -20.6 1.9 11.4 31 31 A P + 0 0 88 0, 0.0 2,-1.1 0, 0.0 -4,-0.1 0.674 47.1 105.6 -71.7 -16.3 -23.9 3.5 10.3 32 32 A D >> - 0 0 73 1,-0.2 4,-1.6 2,-0.1 3,-0.6 -0.521 55.7-166.1 -65.2 99.2 -24.8 4.5 13.9 33 33 A A H 3> S+ 0 0 46 -2,-1.1 4,-1.2 1,-0.2 -1,-0.2 0.667 81.9 65.5 -63.3 -18.8 -24.1 8.2 13.5 34 34 A Q H 3> S+ 0 0 147 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.920 106.4 39.3 -71.5 -42.9 -24.2 8.5 17.3 35 35 A V H <> S+ 0 0 32 -3,-0.6 4,-1.8 1,-0.2 -2,-0.2 0.800 108.9 62.6 -77.9 -25.2 -21.1 6.4 17.8 36 36 A R H X S+ 0 0 56 -4,-1.6 4,-1.1 1,-0.2 -1,-0.2 0.825 105.2 48.4 -65.5 -30.8 -19.5 8.0 14.8 37 37 A D H X S+ 0 0 114 -4,-1.2 4,-1.9 2,-0.2 -1,-0.2 0.881 108.8 51.8 -72.3 -42.5 -19.7 11.3 16.6 38 38 A T H X S+ 0 0 90 -4,-1.4 4,-0.6 1,-0.2 -2,-0.2 0.840 111.9 46.5 -64.4 -32.8 -18.2 9.9 19.8 39 39 A L H X S+ 0 0 22 -4,-1.8 4,-2.6 2,-0.2 5,-0.3 0.798 105.5 60.6 -81.3 -28.9 -15.2 8.4 17.9 40 40 A R H X S+ 0 0 109 -4,-1.1 4,-2.4 1,-0.2 5,-0.2 0.943 98.9 55.7 -59.3 -49.6 -14.7 11.6 16.1 41 41 A A H < S+ 0 0 44 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.821 113.8 45.2 -52.2 -30.3 -14.1 13.4 19.4 42 42 A V H >< S+ 0 0 86 -4,-0.6 3,-0.7 -3,-0.2 -2,-0.2 0.947 118.4 33.9 -80.4 -55.5 -11.4 10.8 19.9 43 43 A Y H >< S+ 0 0 56 -4,-2.6 3,-1.6 1,-0.2 7,-0.2 0.685 101.0 75.4 -79.4 -20.2 -9.4 10.5 16.6 44 44 A E T 3< S+ 0 0 85 -4,-2.4 -1,-0.2 -5,-0.3 -3,-0.1 0.689 107.7 36.2 -65.9 -14.7 -9.7 14.2 15.6 45 45 A K T < S+ 0 0 157 -3,-0.7 2,-0.6 -5,-0.2 -1,-0.3 0.090 94.9 101.4-124.0 16.9 -7.1 14.9 18.2 46 46 A D <> - 0 0 54 -3,-1.6 4,-2.2 1,-0.2 5,-0.2 -0.934 57.2-156.3-109.4 111.7 -4.9 11.7 17.8 47 47 A A H > S+ 0 0 68 -2,-0.6 4,-2.2 1,-0.2 5,-0.2 0.934 93.4 46.8 -47.4 -58.2 -1.8 12.3 15.8 48 48 A N H > S+ 0 0 121 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.822 112.3 51.7 -60.0 -34.0 -1.4 8.6 14.7 49 49 A A H > S+ 0 0 0 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.897 109.8 49.3 -66.1 -41.5 -5.0 8.4 13.7 50 50 A L H X S+ 0 0 82 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.817 112.4 46.9 -73.5 -32.7 -4.7 11.6 11.6 51 51 A I H X S+ 0 0 117 -4,-2.2 4,-1.7 -5,-0.2 -1,-0.2 0.944 111.2 52.7 -67.6 -47.0 -1.6 10.3 9.9 52 52 A A H X S+ 0 0 37 -4,-2.4 4,-1.3 1,-0.2 -2,-0.2 0.750 106.4 54.8 -57.3 -29.5 -3.5 7.0 9.3 53 53 A V H >X S+ 0 0 43 -4,-1.3 4,-2.2 2,-0.2 3,-0.7 0.963 105.0 50.2 -71.0 -53.6 -6.3 8.9 7.8 54 54 A S H 3X S+ 0 0 75 -4,-1.7 4,-1.6 1,-0.3 -2,-0.2 0.801 106.3 59.9 -50.9 -32.6 -4.0 10.6 5.3 55 55 A A H 3X S+ 0 0 55 -4,-1.7 4,-1.9 2,-0.2 -1,-0.3 0.915 106.3 45.2 -64.3 -42.4 -2.8 7.1 4.5 56 56 A V H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 3,-0.5 0.931 108.0 55.6 -61.8 -47.0 -7.9 6.3 -2.8 61 61 A F H 3X S+ 0 0 62 -4,-2.9 4,-1.9 1,-0.3 -1,-0.2 0.805 104.3 56.6 -55.7 -27.2 -6.4 9.4 -4.4 62 62 A Q H 3X S+ 0 0 116 -4,-1.4 4,-1.6 -3,-0.5 -1,-0.3 0.908 108.4 46.6 -69.3 -39.9 -4.1 7.0 -6.3 63 63 A T H S+ 0 0 7 -4,-1.9 5,-3.4 -5,-0.3 6,-0.4 0.950 110.6 45.8 -64.3 -45.9 -6.0 10.0 -10.2 66 66 A A H ><5S+ 0 0 23 -4,-1.6 3,-1.6 1,-0.2 -2,-0.2 0.851 106.2 59.5 -63.8 -36.2 -5.6 7.0 -12.4 67 67 A A H 3<5S+ 0 0 21 -4,-1.4 -1,-0.2 1,-0.3 -2,-0.2 0.879 110.9 41.8 -60.3 -35.0 -9.3 7.1 -13.2 68 68 A N T ><5S- 0 0 24 -4,-1.5 3,-1.6 -3,-0.3 -1,-0.3 0.201 114.6-114.6 -94.9 15.3 -8.7 10.6 -14.6 69 69 A D T < 5S- 0 0 129 -3,-1.6 -3,-0.2 1,-0.3 -2,-0.1 0.893 73.7 -62.5 46.8 40.5 -5.5 9.7 -16.4 70 70 A Y T 3 < 0 0 156 -5,-3.4 -1,-0.3 -6,-0.1 -4,-0.1 0.741 360.0 360.0 59.1 30.8 -3.9 12.2 -13.9 71 71 A W < 0 0 90 -3,-1.6 -61,-0.1 -6,-0.4 -62,-0.1 0.018 360.0 360.0 50.4 360.0 -5.9 15.2 -15.2 72 !* 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 73 1 B T 0 0 149 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 90.6 -18.8 -19.9 -5.7 74 2 B W + 0 0 100 1,-0.2 0, 0.0 2,-0.1 0, 0.0 0.760 360.0 49.4-102.1 -32.8 -18.8 -16.5 -3.9 75 3 B L + 0 0 66 1,-0.2 -1,-0.2 18,-0.0 3,-0.1 -0.630 60.2 155.3-110.0 76.0 -16.4 -14.5 -6.1 76 4 B P - 0 0 106 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.897 64.8 -6.7 -67.8 -42.5 -17.6 -15.0 -9.7 77 5 B T - 0 0 84 2,-0.1 0, 0.0 1,-0.1 0, 0.0 -0.983 40.9-141.9-152.4 159.6 -16.1 -11.8 -11.3 78 6 B L S S+ 0 0 64 -2,-0.3 2,-0.3 61,-0.1 61,-0.1 0.480 72.6 111.6 -96.4 -11.8 -14.4 -8.5 -10.6 79 7 B V - 0 0 106 60,-0.0 2,-0.4 61,-0.0 -2,-0.1 -0.496 46.4-179.6 -68.3 130.1 -16.5 -6.9 -13.3 80 8 B T - 0 0 19 -2,-0.3 6,-0.1 56,-0.2 63,-0.1 -0.996 30.6-137.0-136.0 137.3 -19.0 -4.4 -11.8 81 9 B A S S+ 0 0 79 -2,-0.4 -1,-0.1 4,-0.1 -2,-0.0 0.953 85.8 15.3 -58.2 -58.3 -21.6 -2.2 -13.5 82 10 B T S > S- 0 0 60 1,-0.1 4,-0.6 61,-0.1 3,-0.2 -0.773 76.9-112.3-117.8 161.9 -21.0 1.0 -11.6 83 11 B P H > S+ 0 0 3 0, 0.0 4,-1.8 0, 0.0 3,-0.2 0.795 116.8 63.1 -55.8 -32.4 -18.3 2.4 -9.2 84 12 B Q H > S+ 0 0 35 -81,-0.8 4,-1.9 1,-0.3 3,-0.5 0.956 105.3 42.4 -58.4 -52.5 -20.8 2.1 -6.4 85 13 B E H > S+ 0 0 94 1,-0.2 4,-1.3 2,-0.2 -1,-0.3 0.576 109.3 62.2 -69.9 -12.3 -21.0 -1.6 -6.8 86 14 B G H X S+ 0 0 0 -4,-0.6 4,-2.0 2,-0.2 -1,-0.2 0.854 106.1 44.0 -74.3 -37.9 -17.2 -1.5 -7.2 87 15 B F H X S+ 0 0 0 -4,-1.8 4,-2.6 -3,-0.5 -2,-0.2 0.859 111.8 52.1 -77.6 -35.8 -17.0 -0.1 -3.7 88 16 B D H X S+ 0 0 75 -4,-1.9 4,-2.5 2,-0.2 -1,-0.2 0.917 112.1 46.2 -65.5 -46.2 -19.6 -2.6 -2.3 89 17 B L H X S+ 0 0 23 -4,-1.3 4,-3.3 2,-0.2 5,-0.3 0.907 109.5 55.3 -60.8 -43.7 -17.6 -5.5 -3.8 90 18 B A H X S+ 0 0 0 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.967 109.6 46.9 -55.3 -50.7 -14.4 -4.0 -2.4 91 19 B V H X S+ 0 0 25 -4,-2.6 4,-1.9 2,-0.2 -2,-0.2 0.911 112.6 49.4 -54.5 -47.5 -16.0 -4.0 1.0 92 20 B K H X S+ 0 0 93 -4,-2.5 4,-2.5 1,-0.2 3,-0.3 0.963 109.0 51.8 -58.8 -53.2 -17.2 -7.6 0.6 93 21 B L H X S+ 0 0 17 -4,-3.3 4,-1.2 1,-0.3 -1,-0.2 0.878 106.8 54.8 -50.3 -40.8 -13.8 -8.8 -0.5 94 22 B S H X S+ 0 0 20 -4,-2.2 4,-0.6 -5,-0.3 3,-0.3 0.943 112.1 44.0 -60.0 -43.1 -12.3 -7.1 2.6 95 23 B R H X S+ 0 0 177 -4,-1.9 4,-1.8 -3,-0.3 3,-0.5 0.791 102.5 62.5 -71.2 -36.0 -14.7 -9.1 4.8 96 24 B I H X S+ 0 0 24 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.834 96.8 61.7 -65.6 -29.5 -14.3 -12.5 3.1 97 25 B A H X S+ 0 0 49 -4,-1.2 4,-1.8 -3,-0.3 -1,-0.2 0.888 108.4 41.0 -59.9 -41.3 -10.6 -12.5 4.1 98 26 B V H X S+ 0 0 85 -4,-0.6 4,-2.7 -3,-0.5 -1,-0.2 0.800 112.9 55.4 -76.9 -28.2 -11.5 -12.4 7.9 99 27 B K H < S+ 0 0 126 -4,-1.8 -2,-0.2 2,-0.2 -1,-0.2 0.900 109.8 45.7 -70.1 -42.1 -14.3 -14.8 7.3 100 28 B K H < S+ 0 0 134 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.920 118.6 41.4 -66.3 -43.9 -11.9 -17.3 5.7 101 29 B T H < S+ 0 0 110 -4,-1.8 -2,-0.2 1,-0.3 -3,-0.2 0.921 128.5 29.7 -72.0 -46.2 -9.2 -16.9 8.4 102 30 B Q < + 0 0 69 -4,-2.7 -1,-0.3 -5,-0.1 6,-0.1 -0.876 67.9 165.1-115.3 93.0 -11.6 -16.8 11.3 103 31 B P + 0 0 90 0, 0.0 2,-1.7 0, 0.0 -1,-0.1 0.715 44.4 104.2 -81.5 -22.5 -14.7 -18.9 10.4 104 32 B D >> - 0 0 76 1,-0.2 4,-1.7 2,-0.1 3,-1.1 -0.410 57.6-164.0 -62.9 87.5 -16.2 -19.3 14.0 105 33 B A H 3> S+ 0 0 49 -2,-1.7 4,-1.4 1,-0.3 -1,-0.2 0.718 81.2 64.1 -50.0 -26.7 -19.0 -16.8 13.3 106 34 B Q H 3> S+ 0 0 133 2,-0.2 4,-1.5 1,-0.2 3,-0.4 0.948 104.4 41.4 -66.2 -49.6 -19.6 -16.5 17.1 107 35 B V H <> S+ 0 0 32 -3,-1.1 4,-2.3 1,-0.3 5,-0.2 0.846 108.8 62.0 -67.6 -32.7 -16.1 -15.0 17.9 108 36 B R H X S+ 0 0 68 -4,-1.7 4,-1.4 1,-0.2 -1,-0.3 0.868 103.2 51.1 -56.8 -37.5 -16.5 -12.8 14.9 109 37 B D H X S+ 0 0 116 -4,-1.4 4,-1.4 -3,-0.4 -2,-0.2 0.900 107.1 53.1 -64.5 -42.5 -19.6 -11.5 16.7 110 38 B T H < S+ 0 0 82 -4,-1.5 4,-0.3 1,-0.2 -2,-0.2 0.912 112.4 43.0 -60.3 -42.3 -17.5 -10.8 19.8 111 39 B L H >X S+ 0 0 98 -4,-2.3 4,-2.6 1,-0.2 3,-1.0 0.757 102.7 66.1 -80.3 -25.6 -14.8 -8.8 18.0 112 40 B R H 3X S+ 0 0 68 -4,-1.4 4,-2.5 1,-0.3 5,-0.2 0.927 98.7 55.4 -55.3 -45.8 -17.4 -6.9 15.9 113 41 B A H 3< S+ 0 0 41 -4,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.606 111.5 44.6 -62.1 -18.8 -18.4 -5.4 19.3 114 42 B V H <4 S+ 0 0 90 -3,-1.0 3,-0.4 -4,-0.3 -2,-0.2 0.840 118.1 36.9 -96.1 -46.0 -14.8 -4.3 19.8 115 43 B Y H >< S+ 0 0 74 -4,-2.6 3,-2.2 1,-0.2 7,-0.2 0.822 102.9 68.5 -80.8 -30.9 -13.8 -2.8 16.4 116 44 B E T 3< S+ 0 0 47 -4,-2.5 -1,-0.2 1,-0.3 -3,-0.1 0.709 109.7 39.7 -62.7 -17.5 -17.1 -1.2 15.5 117 45 B K T 3 S+ 0 0 130 -3,-0.4 2,-0.4 -5,-0.2 -1,-0.3 0.187 97.5 97.2-115.1 14.5 -16.4 1.3 18.3 118 46 B D <> - 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0 0 21 56,-0.2 6,-0.1 -2,-0.1 63,-0.1 -0.960 34.0-128.1-135.3 149.4 -63.2 16.0 -22.4 297 9 E A S S+ 0 0 73 -2,-0.3 -1,-0.1 1,-0.1 -2,-0.0 0.832 88.4 19.9 -66.7 -38.6 -66.2 17.7 -24.1 298 10 E T S > S- 0 0 58 1,-0.1 4,-2.0 61,-0.1 3,-0.5 -0.965 73.6-116.0-134.4 151.7 -65.6 21.3 -22.9 299 11 E P H > S+ 0 0 6 0, 0.0 4,-1.6 0, 0.0 210,-0.1 0.817 120.6 56.7 -48.8 -29.2 -62.7 23.5 -21.5 300 12 E Q H > S+ 0 0 37 207,-0.5 4,-2.0 2,-0.2 5,-0.1 0.901 105.3 45.6 -72.3 -42.2 -65.0 23.5 -18.4 301 13 E E H > S+ 0 0 93 -3,-0.5 4,-1.6 1,-0.2 -1,-0.2 0.753 111.3 57.3 -69.1 -24.5 -65.1 19.7 -18.0 302 14 E G H X S+ 0 0 0 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.860 103.3 50.5 -74.0 -37.8 -61.4 19.8 -18.6 303 15 E F H X S+ 0 0 0 -4,-1.6 4,-2.4 2,-0.2 3,-0.2 0.949 109.4 51.2 -64.0 -47.2 -60.9 22.2 -15.6 304 16 E D H X S+ 0 0 75 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.862 108.2 54.0 -53.2 -42.0 -63.0 19.8 -13.5 305 17 E L H X S+ 0 0 20 -4,-1.6 4,-2.3 2,-0.2 -1,-0.2 0.860 106.6 50.5 -62.3 -38.7 -60.6 17.0 -14.7 306 18 E A H X S+ 0 0 0 -4,-1.8 4,-2.3 -3,-0.2 -2,-0.2 0.946 109.3 51.6 -60.5 -46.8 -57.6 19.0 -13.6 307 19 E V H X S+ 0 0 33 -4,-2.4 4,-1.7 2,-0.2 -2,-0.2 0.892 111.3 48.3 -60.2 -40.2 -59.2 19.5 -10.2 308 20 E K H >X S+ 0 0 84 -4,-2.0 4,-2.5 2,-0.2 3,-0.6 0.980 109.0 49.8 -63.9 -62.2 -59.8 15.8 -9.9 309 21 E L H 3X S+ 0 0 0 -4,-2.3 4,-1.4 1,-0.3 -1,-0.2 0.850 109.6 55.0 -41.9 -42.7 -56.3 14.6 -10.9 310 22 E S H 3X S+ 0 0 12 -4,-2.3 4,-0.6 -5,-0.2 -1,-0.3 0.919 112.0 42.5 -62.1 -44.3 -54.9 17.1 -8.3 311 23 E R H XX S+ 0 0 181 -4,-1.7 4,-2.2 -3,-0.6 3,-1.0 0.877 105.7 59.6 -70.1 -41.5 -57.0 15.5 -5.5 312 24 E I H 3X S+ 0 0 19 -4,-2.5 4,-4.0 1,-0.3 5,-0.3 0.899 98.2 59.6 -62.7 -39.4 -56.5 11.8 -6.3 313 25 E A H 3X S+ 0 0 0 -4,-1.4 4,-2.0 1,-0.2 -1,-0.3 0.859 109.0 45.9 -51.4 -36.4 -52.7 12.1 -5.9 314 26 E V H > - 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0 0 48 -3,-2.3 4,-2.0 1,-0.1 5,-0.2 -0.920 54.4-164.6-109.8 117.1 -55.3 28.9 4.5 335 47 E A H > S+ 0 0 12 -2,-0.6 4,-1.4 1,-0.2 -1,-0.1 0.868 91.8 48.7 -65.6 -45.6 -54.6 31.5 1.8 336 48 E N H > S+ 0 0 82 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.867 113.0 50.3 -62.3 -38.4 -51.1 30.3 0.9 337 49 E A H > S+ 0 0 0 2,-0.2 4,-3.1 1,-0.2 -2,-0.2 0.831 107.7 50.3 -69.5 -40.6 -52.5 26.7 0.6 338 50 E L H X S+ 0 0 6 -4,-2.0 4,-2.1 -7,-0.2 -1,-0.2 0.792 111.8 49.9 -71.0 -29.6 -55.4 27.6 -1.6 339 51 E I H X S+ 0 0 18 -4,-1.4 4,-1.6 2,-0.2 -2,-0.2 0.883 112.2 46.9 -71.5 -42.8 -53.0 29.5 -3.9 340 52 E A H X S+ 0 0 40 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.937 111.9 51.7 -62.4 -45.6 -50.7 26.4 -3.9 341 53 E V H X S+ 0 0 23 -4,-3.1 4,-1.8 1,-0.3 -2,-0.2 0.929 107.5 51.7 -54.3 -46.2 -53.9 24.3 -4.6 342 54 E S H X S+ 0 0 2 -4,-2.1 4,-1.1 1,-0.2 -1,-0.3 0.846 106.9 55.9 -61.4 -32.7 -54.7 26.7 -7.5 343 55 E A H >X S+ 0 0 35 -4,-1.6 4,-1.6 1,-0.2 3,-0.7 0.954 104.1 50.9 -64.1 -51.0 -51.2 26.1 -8.8 344 56 E V H 3X S+ 0 0 7 -4,-2.0 4,-1.8 1,-0.3 -1,-0.2 0.856 110.7 48.6 -56.1 -42.7 -51.5 22.3 -8.9 345 57 E V H 3X S+ 0 0 4 -4,-1.8 4,-1.8 1,-0.2 -1,-0.3 0.752 105.8 59.6 -71.2 -21.2 -54.7 22.5 -10.9 346 58 E A H S+ 0 0 0 -4,-2.8 5,-2.4 1,-0.2 6,-0.3 0.915 106.9 48.1 -55.8 -46.5 -55.8 21.2 -22.3 354 66 E A H ><5S+ 0 0 22 -4,-2.2 3,-1.6 3,-0.2 -1,-0.2 0.866 107.2 56.8 -61.0 -41.2 -53.0 20.0 -24.6 355 67 E A H 3<5S+ 0 0 23 -4,-1.6 -2,-0.2 1,-0.3 -1,-0.2 0.956 109.8 43.9 -55.5 -51.3 -54.7 16.6 -24.8 356 68 E N T ><5S- 0 0 20 -4,-2.4 3,-2.7 -62,-0.2 -1,-0.3 0.145 113.3-117.3 -83.3 17.9 -57.9 18.1 -26.1 357 69 E D T < 5 - 0 0 128 -3,-1.6 -3,-0.2 1,-0.3 -2,-0.1 0.669 67.8 -67.4 54.0 18.8 -56.0 20.4 -28.5 358 70 E Y T 3 < 0 0 51 -5,-2.4 152,-0.4 -6,-0.2 -1,-0.3 0.744 360.0 360.0 71.8 26.9 -57.5 23.3 -26.5 359 71 E W < 0 0 83 -3,-2.7 150,-0.1 -6,-0.3 -61,-0.1 -0.086 360.0 360.0 48.6 360.0 -61.0 22.5 -27.7 360 !* 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 0.0 361 1 F T 0 0 131 0, 0.0 -205,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 120.6 -33.4 -1.0 -13.7 362 2 F W + 0 0 55 1,-0.2 0, 0.0 2,-0.1 0, 0.0 0.532 360.0 55.5-111.4 -18.6 -36.8 0.5 -12.9 363 3 F L + 0 0 1 1,-0.1 -207,-1.3 -209,-0.0 -1,-0.2 -0.685 49.7 153.5-124.0 80.3 -37.7 2.9 -15.7 364 4 F P - 0 0 98 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.849 69.9 -6.4 -75.2 -35.7 -37.7 1.0 -19.0 365 5 F T - 0 0 73 -211,-0.1 -150,-0.1 -210,-0.1 -151,-0.0 -0.955 42.9-140.0-150.6 171.3 -40.2 3.2 -20.8 366 6 F L S S+ 0 0 0 -152,-0.6 2,-0.5 -2,-0.3 62,-0.3 0.263 74.3 106.5-112.7 1.4 -42.7 6.1 -20.5 367 7 F V + 0 0 89 60,-0.1 2,-0.3 -153,-0.1 -2,-0.1 -0.753 48.1 178.4 -85.8 125.1 -45.2 4.4 -22.7 368 8 F T - 0 0 26 -2,-0.5 6,-0.1 56,-0.2 63,-0.1 -0.924 36.3-124.3-127.8 150.2 -48.2 3.2 -20.7 369 9 F A S S+ 0 0 80 -2,-0.3 -1,-0.1 1,-0.1 3,-0.1 0.834 88.7 14.4 -61.5 -35.9 -51.3 1.4 -21.9 370 10 F T S >> S- 0 0 59 1,-0.1 4,-2.2 61,-0.1 3,-1.3 -0.947 74.3-109.8-143.7 155.6 -53.8 3.9 -20.3 371 11 F P H >> S+ 0 0 4 0, 0.0 4,-2.3 0, 0.0 3,-0.5 0.951 119.6 55.2 -50.4 -51.6 -54.1 7.3 -18.7 372 12 F Q H 3> S+ 0 0 35 -81,-1.1 4,-1.1 1,-0.3 5,-0.1 0.742 108.8 48.6 -53.2 -26.2 -54.7 5.8 -15.4 373 13 F E H <> S+ 0 0 86 -3,-1.3 4,-1.9 2,-0.2 -1,-0.3 0.810 108.2 54.2 -85.5 -31.7 -51.4 3.8 -15.9 374 14 F G H X S+ 0 0 67 -4,-1.1 4,-1.8 -5,-0.2 3,-0.6 0.917 109.1 52.6 -62.1 -46.5 -49.5 5.8 -11.5 377 17 F L H 3X S+ 0 0 25 -4,-1.9 4,-2.6 1,-0.3 -2,-0.2 0.880 106.3 55.0 -54.5 -41.4 -46.1 6.0 -13.3 378 18 F A H 3X S+ 0 0 0 -4,-1.7 4,-1.3 1,-0.2 -1,-0.3 0.791 107.5 48.6 -62.4 -31.3 -46.1 9.7 -12.5 379 19 F V H X S+ 0 0 94 -4,-1.8 4,-2.6 2,-0.2 3,-1.0 0.962 109.2 49.5 -68.3 -52.8 -43.7 6.3 -9.0 381 21 F L H 3X S+ 0 0 0 -4,-2.6 4,-1.3 1,-0.3 -2,-0.2 0.839 108.4 53.0 -52.7 -42.2 -41.3 8.8 -10.6 382 22 F S H 3< S+ 0 0 12 -4,-1.3 4,-0.3 1,-0.2 -1,-0.3 0.754 114.4 44.5 -67.0 -26.2 -42.1 11.4 -7.9 383 23 F R H XX S+ 0 0 183 -3,-1.0 4,-2.4 -4,-0.8 3,-1.1 0.870 104.5 57.1 -85.8 -41.4 -41.2 8.8 -5.3 384 24 F I H 3X S+ 0 0 23 -4,-2.6 4,-3.2 1,-0.3 5,-0.2 0.839 100.6 60.3 -67.0 -30.3 -38.1 7.3 -6.7 385 25 F A H 3X S+ 0 0 0 -4,-1.3 4,-1.2 -5,-0.2 -1,-0.3 0.812 108.4 46.2 -60.2 -29.9 -36.4 10.7 -6.7 386 26 F V H <> S+ 0 0 35 -3,-1.1 4,-1.8 -4,-0.3 -2,-0.2 0.924 112.1 48.6 -77.9 -46.9 -37.0 10.7 -3.0 387 27 F K H >< S+ 0 0 127 -4,-2.4 3,-0.6 1,-0.2 -2,-0.2 0.961 111.4 50.6 -55.2 -53.7 -35.7 7.3 -2.5 388 28 F K H 3< S+ 0 0 48 -4,-3.2 -1,-0.2 1,-0.2 -2,-0.2 0.829 113.8 44.0 -55.8 -37.8 -32.6 8.0 -4.5 389 29 F T H 3< S+ 0 0 19 -4,-1.2 -1,-0.2 1,-0.3 -2,-0.2 0.695 129.6 25.6 -85.6 -19.7 -31.8 11.2 -2.6 390 30 F Q << + 0 0 12 -4,-1.8 -1,-0.3 -3,-0.6 6,-0.1 -0.694 67.4 169.4-140.8 87.9 -32.5 9.6 0.8 391 31 F P + 0 0 85 0, 0.0 2,-1.5 0, 0.0 3,-0.1 0.520 46.0 108.0 -81.9 -8.5 -32.0 5.8 0.6 392 32 F D >> - 0 0 79 1,-0.2 4,-1.7 -5,-0.1 3,-0.9 -0.586 55.1-165.2 -68.3 91.9 -32.2 5.3 4.4 393 33 F A H 3> S+ 0 0 51 -2,-1.5 4,-1.4 1,-0.2 -1,-0.2 0.795 82.9 62.3 -47.3 -33.8 -35.6 3.6 4.3 394 34 F Q H 3> S+ 0 0 147 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.859 103.2 43.9 -67.1 -43.2 -35.7 4.2 8.1 395 35 F V H <> S+ 0 0 33 -3,-0.9 4,-3.0 2,-0.2 5,-0.2 0.851 108.4 60.1 -69.5 -33.5 -35.6 8.0 8.0 396 36 F R H X S+ 0 0 61 -4,-1.7 4,-2.3 1,-0.3 -2,-0.2 0.854 103.1 51.7 -61.7 -36.3 -38.2 7.9 5.2 397 37 F D H X S+ 0 0 119 -4,-1.4 4,-1.8 2,-0.2 -1,-0.3 0.886 110.2 49.1 -62.6 -41.0 -40.5 6.2 7.6 398 38 F T H X S+ 0 0 91 -4,-1.2 4,-0.9 1,-0.2 -2,-0.2 0.910 114.7 43.9 -65.2 -44.4 -39.8 9.0 10.1 399 39 F L H X S+ 0 0 21 -4,-3.0 4,-2.9 2,-0.2 5,-0.3 0.811 107.4 60.5 -72.5 -31.2 -40.5 11.6 7.5 400 40 F R H X S+ 0 0 63 -4,-2.3 4,-2.6 1,-0.2 5,-0.3 0.966 101.9 51.7 -58.4 -54.3 -43.6 9.8 6.2 401 41 F A H < S+ 0 0 42 -4,-1.8 4,-0.4 1,-0.2 -1,-0.2 0.812 114.1 48.4 -53.1 -31.1 -45.3 10.0 9.6 402 42 F V H >< S+ 0 0 79 -4,-0.9 3,-0.7 1,-0.1 -2,-0.2 0.970 117.9 32.5 -73.0 -59.0 -44.5 13.8 9.4 403 43 F Y H >< S+ 0 0 55 -4,-2.9 3,-1.7 1,-0.2 7,-0.3 0.696 104.0 72.1 -80.5 -17.5 -45.7 14.8 5.9 404 44 F E T 3< S+ 0 0 47 -4,-2.6 -1,-0.2 -5,-0.3 -3,-0.1 0.803 106.9 39.5 -69.5 -25.7 -48.6 12.4 5.6 405 45 F K T < S+ 0 0 126 -3,-0.7 2,-0.6 -4,-0.4 -1,-0.3 0.070 97.1 100.8-103.6 18.8 -50.4 14.5 8.2 406 46 F D <> - 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