==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-OCT-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 25-JAN-11 3QHC . COMPND 2 MOLECULE: SYMERYTHRIN; . SOURCE 2 ORGANISM_SCIENTIFIC: CYANOPHORA PARADOXA; . AUTHOR R.B.COOLEY,D.J.ARP,P.A.KARPLUS . 358 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16829.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 279 77.9 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 . 7 2.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 234 65.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 3.4 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 2 0 0 0 0 4 0 0 0 2 0 2 0 0 2 0 0 0 2 0 0 0 0 2 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 2 A G 0 0 113 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-152.2 3.1 -0.9 14.7 2 3 A L - 0 0 193 2,-0.0 2,-0.3 337,-0.0 334,-0.0 -0.754 360.0-171.8 -84.0 136.6 6.1 0.6 12.9 3 4 A N - 0 0 38 -2,-0.4 2,-0.5 2,-0.0 -1,-0.0 -0.691 3.1-171.9-136.0 80.4 4.8 3.3 10.6 4 5 A Y - 0 0 190 -2,-0.3 2,-0.3 339,-0.0 -2,-0.0 -0.585 5.9-178.1 -85.2 130.3 7.6 4.6 8.3 5 6 A N - 0 0 26 -2,-0.5 2,-0.1 1,-0.0 -2,-0.0 -0.830 35.7-104.9-119.3 139.0 7.1 7.7 5.8 6 7 A Q - 0 0 165 -2,-0.3 2,-0.2 1,-0.1 3,-0.1 -0.387 36.5-118.0 -60.6 139.8 9.8 9.0 3.5 7 8 A E - 0 0 128 1,-0.1 3,-0.1 -2,-0.1 -1,-0.1 -0.537 40.7 -88.2 -75.6 149.4 11.6 12.1 4.6 8 9 A D > - 0 0 22 -2,-0.2 3,-2.6 1,-0.2 -1,-0.1 -0.194 55.0 -79.3 -57.5 146.1 11.2 15.1 2.4 9 10 A F G > S- 0 0 36 1,-0.3 3,-1.9 2,-0.2 4,-0.2 -0.160 114.5 -3.2 -38.3 126.5 13.7 15.8 -0.5 10 11 A M G 3 S- 0 0 61 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.565 114.7 -84.9 64.0 9.6 16.9 17.3 0.8 11 12 A G G X S+ 0 0 5 -3,-2.6 3,-2.0 1,-0.1 -1,-0.3 0.726 82.6 151.1 63.8 23.2 15.5 17.4 4.4 12 13 A L G X + 0 0 0 -3,-1.9 3,-1.5 1,-0.3 4,-0.2 0.774 59.3 67.0 -65.6 -23.7 13.9 20.7 3.5 13 14 A D G > S+ 0 0 33 1,-0.2 3,-1.6 -4,-0.2 -1,-0.3 0.754 86.5 70.0 -63.6 -27.6 11.1 20.1 6.0 14 15 A R G < S+ 0 0 121 -3,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.560 77.6 80.0 -75.0 -0.5 13.5 20.4 8.9 15 16 A F G < S+ 0 0 0 -3,-1.5 2,-0.4 -4,-0.2 -1,-0.3 0.737 72.3 95.7 -68.6 -27.6 13.9 24.1 8.2 16 17 A F < - 0 0 21 -3,-1.6 2,-0.4 -4,-0.2 107,-0.1 -0.586 60.2-169.2 -68.3 130.2 10.6 24.5 10.1 17 18 A Q - 0 0 34 -2,-0.4 2,-0.5 18,-0.1 22,-0.1 -0.983 11.4-144.7-129.1 133.8 11.3 25.4 13.7 18 19 A D - 0 0 61 -2,-0.4 108,-0.0 1,-0.0 14,-0.0 -0.787 20.2-121.0 -98.5 115.2 8.5 25.4 16.4 19 20 A A - 0 0 3 -2,-0.5 2,-0.3 1,-0.1 13,-0.1 -0.327 35.9-115.1 -57.3 142.4 8.6 28.1 19.2 20 21 A V - 0 0 82 7,-0.1 2,-0.3 8,-0.1 11,-0.2 -0.631 23.5-127.6 -81.9 135.1 8.8 26.3 22.6 21 22 A S + 0 0 80 -2,-0.3 2,-0.3 10,-0.1 -1,-0.1 -0.614 32.6 173.0 -83.8 137.1 5.8 26.7 24.9 22 23 A H - 0 0 74 -2,-0.3 6,-0.1 2,-0.1 0, 0.0 -0.862 42.9-115.8-131.0 169.1 6.5 27.9 28.5 23 24 A N S S+ 0 0 126 -2,-0.3 2,-0.5 1,-0.1 3,-0.0 0.704 98.1 67.7 -72.1 -29.9 4.4 28.9 31.5 24 25 A N S >> S- 0 0 52 1,-0.1 4,-1.9 121,-0.0 3,-0.6 -0.890 73.7-143.8-106.7 131.2 5.7 32.4 31.5 25 26 A T H 3> S+ 0 0 3 -2,-0.5 4,-2.7 1,-0.3 5,-0.2 0.846 100.7 60.9 -63.4 -30.5 5.0 34.9 28.7 26 27 A D H 3> S+ 0 0 68 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.913 107.3 45.9 -56.6 -46.5 8.5 36.4 28.9 27 28 A A H <> S+ 0 0 18 -3,-0.6 4,-2.3 2,-0.2 -1,-0.2 0.851 110.1 52.4 -68.7 -38.3 9.9 33.0 28.0 28 29 A N H X S+ 0 0 2 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.890 110.0 50.6 -64.5 -39.1 7.4 32.5 25.2 29 30 A A H X S+ 0 0 0 -4,-2.7 4,-2.9 2,-0.2 -2,-0.2 0.923 109.4 50.8 -58.8 -47.2 8.5 36.0 23.9 30 31 A A H X S+ 0 0 20 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.918 111.8 46.5 -58.3 -43.3 12.1 34.8 24.1 31 32 A S H X S+ 0 0 8 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.901 113.1 49.5 -67.2 -41.0 11.3 31.7 22.1 32 33 A S H X S+ 0 0 0 -4,-2.5 4,-3.1 2,-0.2 5,-0.3 0.908 108.9 51.8 -64.2 -46.0 9.4 33.6 19.6 33 34 A I H X S+ 0 0 10 -4,-2.9 4,-2.6 1,-0.2 5,-0.3 0.932 109.2 52.2 -53.8 -45.1 12.1 36.1 19.1 34 35 A E H X S+ 0 0 22 -4,-2.2 4,-1.8 -5,-0.2 -1,-0.2 0.937 114.9 39.4 -57.9 -51.5 14.6 33.3 18.5 35 36 A V H X S+ 0 0 4 -4,-2.1 4,-2.7 2,-0.2 -1,-0.2 0.903 114.0 54.2 -68.7 -42.2 12.5 31.6 15.8 36 37 A E H X S+ 0 0 0 -4,-3.1 4,-2.6 1,-0.2 -2,-0.2 0.911 111.2 45.2 -58.6 -45.3 11.4 34.9 14.2 37 38 A M H X S+ 0 0 59 -4,-2.6 4,-2.9 -5,-0.3 5,-0.3 0.896 110.7 54.0 -68.9 -36.9 15.0 36.0 13.8 38 39 A Y H X>S+ 0 0 1 -4,-1.8 5,-2.3 -5,-0.3 4,-2.1 0.928 112.5 44.2 -58.8 -42.3 16.0 32.6 12.5 39 40 A E H <>S+ 0 0 0 -4,-2.7 5,-2.4 3,-0.2 -2,-0.2 0.920 116.3 47.9 -69.4 -41.3 13.3 32.9 9.9 40 41 A C H <5S+ 0 0 18 -4,-2.6 -2,-0.2 -5,-0.2 -3,-0.2 0.937 125.5 25.2 -62.7 -47.6 14.2 36.5 9.1 41 42 A D H <5S+ 0 0 110 -4,-2.9 -2,-0.2 -5,-0.2 -3,-0.2 0.631 137.3 13.4-103.0 -11.2 18.0 36.0 8.7 42 43 A C T X5S+ 0 0 25 -4,-2.1 4,-1.6 -5,-0.3 -3,-0.2 0.689 119.9 42.7-127.6 -60.5 18.4 32.3 7.8 43 44 A M H > S+ 0 0 45 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.886 110.3 49.7 -60.5 -37.0 16.7 34.2 2.7 46 47 A T H X S+ 0 0 3 -4,-1.6 4,-2.5 2,-0.2 -2,-0.2 0.935 110.7 48.4 -64.5 -44.5 17.7 30.6 1.9 47 48 A F H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.904 109.5 54.0 -60.2 -38.5 14.3 30.0 0.4 48 49 A A H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.881 108.9 48.3 -62.3 -43.3 14.6 33.2 -1.6 49 50 A E H X S+ 0 0 54 -4,-1.9 4,-2.6 2,-0.2 -1,-0.2 0.885 109.0 52.7 -64.3 -43.2 17.9 32.0 -3.0 50 51 A I H X S+ 0 0 0 -4,-2.5 4,-1.6 2,-0.2 -2,-0.2 0.948 111.5 48.3 -55.3 -45.3 16.4 28.7 -3.9 51 52 A A H <>S+ 0 0 0 -4,-2.5 5,-2.6 1,-0.2 3,-0.3 0.949 112.5 46.2 -63.5 -46.1 13.6 30.6 -5.7 52 53 A R H ><5S+ 0 0 92 -4,-2.6 3,-1.9 1,-0.2 -1,-0.2 0.915 113.0 49.2 -63.2 -47.9 16.0 32.9 -7.6 53 54 A R H 3<5S+ 0 0 106 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.743 107.3 58.5 -66.8 -20.3 18.3 30.0 -8.6 54 55 A S T 3<5S- 0 0 34 -4,-1.6 -1,-0.3 -3,-0.3 -2,-0.2 0.361 123.0-105.1 -81.7 -1.5 15.2 28.1 -9.8 55 56 A G T < 5S+ 0 0 55 -3,-1.9 -3,-0.2 -4,-0.1 -2,-0.1 0.780 89.6 116.2 81.5 23.8 14.3 30.9 -12.2 56 57 A Q >< + 0 0 65 -5,-2.6 4,-2.2 -6,-0.2 3,-0.2 -0.582 26.1 159.6-125.9 64.5 11.5 32.2 -10.1 57 58 A P H > S+ 0 0 89 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.839 72.6 58.3 -69.3 -27.6 12.5 35.7 -9.1 58 59 A E H > S+ 0 0 158 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.941 108.8 45.3 -64.1 -43.2 9.0 36.9 -8.2 59 60 A I H > S+ 0 0 8 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.904 110.6 55.7 -67.1 -35.6 8.7 34.1 -5.6 60 61 A G H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.923 105.8 51.0 -59.7 -41.3 12.2 35.0 -4.4 61 62 A A H X S+ 0 0 53 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.856 107.1 54.1 -66.7 -37.3 11.0 38.6 -3.8 62 63 A M H X S+ 0 0 30 -4,-1.8 4,-2.7 2,-0.2 5,-0.2 0.948 108.5 48.5 -64.0 -44.0 8.0 37.3 -1.8 63 64 A F H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.903 110.4 51.6 -65.0 -36.1 10.3 35.3 0.5 64 65 A D H X S+ 0 0 62 -4,-2.3 4,-1.7 2,-0.2 -1,-0.2 0.897 110.9 48.4 -62.2 -40.4 12.5 38.4 0.9 65 66 A A H X S+ 0 0 42 -4,-2.1 4,-1.6 2,-0.2 -2,-0.2 0.901 112.0 48.2 -67.5 -41.7 9.4 40.4 1.8 66 67 A I H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 5,-0.2 0.921 106.9 57.8 -63.8 -46.4 8.2 37.8 4.3 67 68 A A H X S+ 0 0 7 -4,-2.6 4,-1.9 1,-0.3 -1,-0.2 0.918 104.7 50.8 -53.2 -45.0 11.7 37.7 5.9 68 69 A K H X S+ 0 0 155 -4,-1.7 4,-1.7 1,-0.2 -1,-0.3 0.897 109.2 51.1 -60.5 -42.3 11.6 41.4 6.6 69 70 A E H X S+ 0 0 34 -4,-1.6 4,-2.0 2,-0.2 -1,-0.2 0.853 104.4 56.4 -67.5 -32.6 8.2 41.0 8.3 70 71 A E H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.911 106.1 51.7 -62.5 -41.4 9.5 38.1 10.5 71 72 A G H X S+ 0 0 5 -4,-1.9 4,-2.5 -5,-0.2 -2,-0.2 0.907 105.9 55.0 -62.8 -35.9 12.1 40.5 11.7 72 73 A M H X S+ 0 0 108 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.895 105.8 52.3 -60.1 -41.6 9.4 43.0 12.5 73 74 A H H X S+ 0 0 10 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.930 110.8 46.9 -59.5 -46.9 7.7 40.4 14.6 74 75 A A H X S+ 0 0 1 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.898 111.8 51.1 -59.1 -44.8 10.9 39.9 16.6 75 76 A Q H X S+ 0 0 137 -4,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.816 105.5 55.1 -70.2 -29.2 11.5 43.6 17.0 76 77 A L H X S+ 0 0 68 -4,-2.2 4,-1.4 1,-0.2 -1,-0.2 0.936 112.6 43.1 -64.3 -47.2 8.0 44.2 18.4 77 78 A L H X S+ 0 0 0 -4,-1.9 4,-1.6 1,-0.2 -2,-0.2 0.882 110.9 55.0 -66.7 -40.1 8.6 41.6 21.0 78 79 A T H < S+ 0 0 65 -4,-2.3 -1,-0.2 1,-0.2 6,-0.2 0.882 105.1 54.7 -59.5 -37.5 12.1 42.9 21.8 79 80 A K H < S+ 0 0 175 -4,-1.9 3,-0.5 1,-0.2 -1,-0.2 0.893 109.1 46.7 -62.4 -34.9 10.6 46.3 22.4 80 81 A L H < S+ 0 0 44 -4,-1.4 2,-0.3 1,-0.3 -1,-0.2 0.766 122.5 35.3 -78.3 -25.4 8.2 44.9 24.9 81 82 A Y S >< S+ 0 0 42 -4,-1.6 3,-1.4 -5,-0.1 -1,-0.3 -0.674 74.0 171.3-126.5 72.2 11.0 42.9 26.7 82 83 A S T 3 S+ 0 0 83 -3,-0.5 -1,-0.1 -2,-0.3 -2,-0.1 0.664 73.2 44.9 -64.2 -23.8 13.9 45.3 26.3 83 84 A E T 3 S+ 0 0 167 -3,-0.1 -1,-0.3 2,-0.1 -4,-0.1 0.442 79.2 126.8-101.1 -1.4 16.3 43.4 28.5 84 85 A L < - 0 0 58 -3,-1.4 2,-0.7 -6,-0.2 -3,-0.1 -0.316 50.1-146.3 -66.7 138.0 15.8 39.8 27.4 85 86 A E - 0 0 190 2,-0.0 2,-0.4 -2,-0.0 -1,-0.1 -0.912 17.1-164.1-105.0 109.8 18.9 37.8 26.4 86 87 A V + 0 0 55 -2,-0.7 2,-0.4 -53,-0.0 -55,-0.1 -0.795 9.4 180.0-100.0 128.2 17.9 35.5 23.5 87 88 A K - 0 0 75 -2,-0.4 2,-0.3 -57,-0.0 -53,-0.1 -0.990 34.9-102.1-126.5 146.5 20.3 32.6 22.6 88 89 A D - 0 0 58 -2,-0.4 -57,-0.0 4,-0.1 2,-0.0 -0.502 35.8-136.7 -70.8 124.2 19.9 30.0 20.0 89 90 A S > - 0 0 38 -2,-0.3 4,-2.7 1,-0.1 5,-0.2 -0.225 31.9 -96.7 -65.7 165.4 18.7 26.6 21.3 90 91 A A H > S+ 0 0 67 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.872 127.1 54.2 -51.5 -41.4 20.3 23.3 20.1 91 92 A E H > S+ 0 0 117 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.912 108.5 46.7 -68.0 -40.7 17.4 22.9 17.7 92 93 A T H > S+ 0 0 3 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.924 111.3 52.0 -66.6 -36.7 18.0 26.4 16.2 93 94 A L H X S+ 0 0 79 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.898 109.7 49.2 -63.2 -43.0 21.7 25.7 15.9 94 95 A E H X S+ 0 0 85 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.909 110.0 52.0 -64.9 -39.1 21.0 22.4 14.1 95 96 A A H X S+ 0 0 1 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.910 108.3 50.4 -61.5 -43.1 18.6 24.3 11.7 96 97 A K H X S+ 0 0 71 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.873 108.6 52.4 -65.9 -34.0 21.3 26.8 11.0 97 98 A R H X S+ 0 0 132 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.915 109.8 49.1 -63.0 -43.2 23.7 23.9 10.2 98 99 A L H X S+ 0 0 14 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.915 107.9 55.3 -64.7 -43.7 21.1 22.5 7.8 99 100 A V H X S+ 0 0 14 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.947 107.1 48.7 -49.3 -47.8 20.8 25.9 6.2 100 101 A S H X S+ 0 0 63 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.854 108.6 54.1 -67.2 -35.9 24.5 26.0 5.6 101 102 A T H X S+ 0 0 69 -4,-2.0 4,-0.8 2,-0.2 -1,-0.2 0.900 110.8 46.4 -56.4 -44.4 24.4 22.4 4.0 102 103 A I H >< S+ 0 0 1 -4,-2.2 3,-0.9 1,-0.2 7,-0.2 0.913 109.2 53.9 -69.4 -44.9 21.7 23.5 1.6 103 104 A E H >< S+ 0 0 76 -4,-2.6 3,-1.2 1,-0.2 -1,-0.2 0.852 105.4 54.3 -55.5 -40.9 23.5 26.7 0.7 104 105 A S H 3< S+ 0 0 109 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.736 118.4 35.2 -65.9 -20.0 26.6 24.6 -0.2 105 106 A Q T + 0 0 8 -3,-1.2 4,-2.4 1,-0.3 5,-0.2 0.802 68.1 53.4 -64.1 -37.4 22.2 25.3 -3.7 107 108 A D H > S+ 0 0 99 -4,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.939 111.1 45.3 -60.6 -43.5 22.6 24.7 -7.4 108 109 A A H > S+ 0 0 56 -3,-0.4 4,-1.1 1,-0.2 -2,-0.2 0.905 113.6 51.3 -64.4 -44.0 21.6 21.0 -7.1 109 110 A V H < S+ 0 0 0 -4,-2.3 6,-0.5 -7,-0.2 3,-0.3 0.927 114.2 42.5 -56.1 -50.9 18.7 22.0 -4.9 110 111 A A H < S+ 0 0 8 -4,-2.4 -1,-0.2 1,-0.2 6,-0.2 0.799 105.7 61.5 -70.1 -33.0 17.4 24.6 -7.3 111 112 A S H < S+ 0 0 100 -4,-2.0 2,-0.5 -5,-0.2 -1,-0.2 0.774 93.8 73.9 -72.2 -18.1 17.8 22.6 -10.5 112 113 A D S >X S- 0 0 48 -4,-1.1 3,-2.1 -3,-0.3 4,-0.5 -0.806 85.1-134.8 -92.1 131.7 15.4 20.0 -9.2 113 114 A S H 3> S+ 0 0 92 -2,-0.5 4,-1.5 1,-0.3 3,-0.2 0.774 102.2 65.4 -50.6 -31.1 11.8 21.1 -9.3 114 115 A R H 3> S+ 0 0 106 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.729 85.1 73.2 -66.7 -26.0 11.3 19.7 -5.8 115 116 A G H <> S+ 0 0 0 -3,-2.1 4,-2.1 -6,-0.5 -1,-0.2 0.979 106.5 31.9 -55.8 -56.1 13.7 22.3 -4.2 116 117 A L H X S+ 0 0 4 -4,-0.5 4,-2.7 -7,-0.2 5,-0.2 0.878 117.9 56.3 -71.8 -36.7 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-4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.902 107.9 55.7 -63.9 -44.6 -3.4 20.1 4.4 305 126 B E H X S+ 0 0 20 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.941 112.7 40.1 -54.4 -50.7 -3.9 22.6 7.3 306 127 B V H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 5,-0.3 0.890 114.6 51.2 -71.4 -39.5 -5.4 20.0 9.6 307 128 B E H X S+ 0 0 0 -4,-2.7 4,-2.3 -5,-0.2 -1,-0.2 0.906 113.2 47.8 -63.8 -35.8 -3.1 17.2 8.7 308 129 B T H X S+ 0 0 12 -4,-2.6 4,-2.4 -5,-0.3 5,-0.3 0.944 114.1 44.1 -65.9 -51.0 -0.2 19.6 9.3 309 130 B I H X>S+ 0 0 0 -4,-2.6 5,-2.4 -5,-0.2 4,-2.1 0.903 118.2 45.1 -63.9 -45.8 -1.4 20.8 12.7 310 131 B E H <>S+ 0 0 4 -4,-2.8 5,-2.0 3,-0.2 -1,-0.2 0.922 118.1 41.3 -63.4 -46.2 -2.4 17.3 13.9 311 132 B S H <5S+ 0 0 4 -4,-2.3 -2,-0.2 -5,-0.3 -1,-0.2 0.828 126.4 31.9 -70.6 -37.9 0.8 15.6 12.7 312 133 B Q H <5S+ 0 0 78 -4,-2.4 -2,-0.2 -5,-0.2 -3,-0.2 0.672 135.5 6.0 -96.1 -24.6 3.2 18.4 13.8 313 134 B K T X5S+ 0 0 31 -4,-2.1 4,-1.8 -5,-0.3 -3,-0.2 0.659 119.6 43.5-126.1 -65.4 1.6 19.9 16.9 314 135 B T H > S+ 0 0 41 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.877 109.9 49.4 -54.0 -41.0 2.8 15.0 19.3 317 138 B A H X S+ 0 0 52 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.914 110.9 48.4 -67.8 -39.1 1.8 17.1 22.4 318 139 B F H X S+ 0 0 3 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.902 111.7 50.2 -64.5 -40.6 -0.8 14.5 23.3 319 140 B A H X S+ 0 0 0 -4,-2.6 4,-1.9 2,-0.2 -2,-0.2 0.889 110.3 50.4 -61.5 -43.0 1.7 11.7 22.9 320 141 B K H X S+ 0 0 130 -4,-2.2 4,-2.3 -5,-0.2 -2,-0.2 0.909 111.9 46.4 -64.7 -44.3 4.2 13.5 25.1 321 142 B L H X S+ 0 0 41 -4,-2.3 4,-2.1 2,-0.2 6,-0.2 0.915 109.5 53.8 -66.3 -40.3 1.7 14.1 27.9 322 143 B A H <>S+ 0 0 0 -4,-2.4 5,-2.6 1,-0.2 -1,-0.2 0.919 110.8 47.6 -59.4 -43.4 0.5 10.5 27.8 323 144 B A H ><5S+ 0 0 60 -4,-1.9 3,-1.7 1,-0.2 -1,-0.2 0.915 108.7 53.0 -64.9 -44.1 4.1 9.4 28.2 324 145 B E H 3<5S+ 0 0 120 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.858 108.4 52.9 -60.1 -32.0 4.8 11.8 31.1 325 146 B Q T 3<5S- 0 0 93 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.393 118.3-111.9 -85.6 5.0 1.7 10.4 32.8 326 147 B G T < 5S+ 0 0 56 -3,-1.7 2,-1.3 1,-0.2 -3,-0.2 0.634 75.1 135.2 75.5 20.0 2.9 6.8 32.5 327 148 B N >< + 0 0 44 -5,-2.6 4,-2.5 -6,-0.2 -1,-0.2 -0.656 21.6 166.7-100.7 78.1 0.2 5.8 30.0 328 149 B M H > + 0 0 147 -2,-1.3 4,-2.7 1,-0.2 -1,-0.2 0.881 69.9 54.9 -69.2 -35.4 2.4 4.0 27.6 329 150 B E H > S+ 0 0 142 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.894 113.3 41.8 -65.4 -42.3 -0.3 2.3 25.6 330 151 B V H > S+ 0 0 4 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.891 112.8 53.6 -72.7 -37.0 -2.0 5.6 24.9 331 152 B A H X S+ 0 0 10 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.929 109.6 49.0 -59.3 -47.6 1.3 7.3 24.2 332 153 B T H X S+ 0 0 98 -4,-2.7 4,-2.0 2,-0.2 -1,-0.2 0.889 110.4 51.8 -61.4 -41.0 2.1 4.5 21.7 333 154 B A H X S+ 0 0 6 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.938 109.4 47.9 -63.1 -45.9 -1.3 5.0 20.0 334 155 B F H X S+ 0 0 0 -4,-2.7 4,-2.6 2,-0.2 -1,-0.2 0.891 108.7 55.3 -63.5 -37.2 -0.8 8.7 19.6 335 156 B E H X S+ 0 0 104 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.889 108.7 48.0 -61.1 -38.4 2.6 8.1 18.2 336 157 B A H X S+ 0 0 33 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.888 110.4 51.3 -69.9 -38.0 1.0 5.8 15.6 337 158 B I H X S+ 0 0 2 -4,-2.4 4,-2.9 2,-0.2 5,-0.3 0.918 105.8 56.2 -64.1 -40.6 -1.6 8.5 14.8 338 159 B V H X S+ 0 0 17 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.929 107.9 47.8 -54.0 -50.6 1.1 11.0 14.4 339 160 B K H X S+ 0 0 91 -4,-1.8 4,-1.8 2,-0.2 -1,-0.2 0.886 112.4 49.5 -61.6 -38.1 2.8 8.8 11.7 340 161 B S H X S+ 0 0 23 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.903 110.0 48.9 -70.5 -41.7 -0.6 8.3 9.9 341 162 B E H X S+ 0 0 0 -4,-2.9 4,-2.4 2,-0.2 -1,-0.2 0.868 108.6 55.1 -65.8 -33.7 -1.5 12.0 9.9 342 163 B T H X S+ 0 0 29 -4,-2.1 4,-2.0 -5,-0.3 -1,-0.2 0.919 107.2 49.7 -63.0 -43.7 2.0 12.7 8.5 343 164 B K H X S+ 0 0 55 -4,-1.8 4,-2.8 1,-0.2 -2,-0.2 0.907 109.8 51.9 -58.7 -47.2 1.3 10.2 5.7 344 165 B H H X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.909 105.9 53.9 -58.1 -44.4 -2.0 12.0 5.0 345 166 B A H X S+ 0 0 4 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.910 109.8 48.0 -54.1 -47.1 -0.3 15.3 4.8 346 167 B N H X S+ 0 0 28 -4,-2.0 4,-2.6 2,-0.2 5,-0.2 0.924 110.2 51.2 -62.5 -43.8 2.0 13.9 2.2 347 168 B W H X S+ 0 0 92 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.925 112.0 48.0 -58.3 -42.4 -0.9 12.4 0.2 348 169 B V H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.911 110.2 50.7 -68.5 -42.8 -2.6 15.8 0.2 349 170 B K H X S+ 0 0 29 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.911 111.0 47.8 -60.8 -46.1 0.5 17.7 -0.8 350 171 B R H X S+ 0 0 81 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.882 112.9 50.5 -63.7 -39.1 1.1 15.3 -3.8 351 172 B A H X S+ 0 0 12 -4,-2.1 4,-2.1 -5,-0.2 -2,-0.2 0.888 110.0 48.9 -61.3 -44.6 -2.6 15.7 -4.7 352 173 B L H X S+ 0 0 2 -4,-2.6 4,-2.2 2,-0.2 5,-0.2 0.929 110.4 51.1 -63.4 -44.4 -2.5 19.4 -4.6 353 174 B E H X S+ 0 0 14 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.932 113.6 45.9 -58.0 -43.0 0.7 19.4 -6.8 354 175 B N H < S+ 0 0 96 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.808 111.0 51.8 -70.4 -39.7 -1.1 17.2 -9.3 355 176 B L H < S+ 0 0 30 -4,-2.1 -1,-0.2 -5,-0.1 -2,-0.2 0.917 111.0 47.2 -61.6 -46.7 -4.4 19.3 -9.3 356 177 B L H < S+ 0 0 2 -4,-2.2 2,-0.9 -5,-0.1 -2,-0.2 0.933 96.5 84.6 -74.8 -23.3 -2.5 22.5 -9.9 357 178 B E < - 0 0 51 -4,-1.8 2,-0.3 -5,-0.2 -180,-0.1 -0.279 59.9-174.1 -93.9 99.7 -0.3 20.9 -12.9 358 179 B V 0 0 114 -2,-0.9 -180,-0.2 -180,-0.2 -2,-0.1 -0.596 360.0 360.0 -83.0 146.8 -2.2 21.0 -16.2 359 180 B A 0 0 146 -2,-0.3 0, 0.0 0, 0.0 0, 0.0 -0.851 360.0 360.0 175.0 360.0 -0.8 19.3 -19.4