==== 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 LUMINESCENT PROTEIN 26-AUG-03 1QV0 . COMPND 2 MOLECULE: OBELIN; . SOURCE 2 ORGANISM_SCIENTIFIC: OBELIA LONGISSIMA; . AUTHOR Z.J.LIU,E.S.VYSOTSKI,L.DENG,J.LEE,J.ROSE,B.C.WANG . 185 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9037.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 136 73.5 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 . 5 2.7 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 0.5 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 . 6 3.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 93 50.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 5.9 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 0 0 0 0 0 2 1 2 0 1 0 0 1 0 0 1 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 . 1 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 7 A V 0 0 84 0, 0.0 2,-0.6 0, 0.0 164,-0.1 0.000 360.0 360.0 360.0 136.7 2.2 4.5 52.0 2 8 A K - 0 0 59 1,-0.2 172,-0.2 2,-0.0 170,-0.1 -0.674 360.0-175.7 -68.7 118.2 -1.5 3.6 51.6 3 9 A L + 0 0 94 -2,-0.6 2,-0.2 2,-0.1 -1,-0.2 0.721 49.2 95.7 -94.5 -23.7 -1.3 -0.2 51.0 4 10 A K S S- 0 0 169 1,-0.1 2,-0.1 2,-0.0 -2,-0.0 -0.484 73.6-127.2 -72.3 135.1 -4.9 -1.1 50.4 5 11 A T - 0 0 49 -2,-0.2 167,-0.2 1,-0.1 3,-0.1 -0.334 17.1-165.1 -78.1 165.9 -5.8 -1.2 46.7 6 12 A D > + 0 0 55 165,-0.5 3,-1.6 3,-0.1 6,-0.3 -0.372 26.0 154.6-146.2 57.1 -8.7 0.8 45.2 7 13 A F T 3 S+ 0 0 29 1,-0.3 -1,-0.1 5,-0.1 80,-0.1 0.627 70.2 52.7 -74.7 -15.1 -9.1 -0.9 41.8 8 14 A D T 3 S+ 0 0 134 -3,-0.1 -1,-0.3 4,-0.1 -3,-0.0 0.434 79.1 114.7 -97.2 0.7 -12.8 -0.0 41.3 9 15 A N X> - 0 0 42 -3,-1.6 4,-2.1 1,-0.2 3,-1.2 -0.549 68.0-138.3 -69.0 125.4 -12.3 3.7 42.0 10 16 A P H 3> S+ 0 0 96 0, 0.0 4,-2.7 0, 0.0 -1,-0.2 0.793 103.0 60.1 -52.3 -29.1 -13.1 5.6 38.8 11 17 A R H 3> S+ 0 0 101 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.844 105.2 46.7 -70.8 -31.7 -10.0 7.8 39.5 12 18 A W H <> S+ 0 0 0 -3,-1.2 4,-1.9 -6,-0.3 5,-0.2 0.923 113.3 48.9 -73.1 -41.6 -7.7 4.8 39.4 13 19 A I H X S+ 0 0 59 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.941 112.6 48.9 -57.8 -46.9 -9.3 3.5 36.2 14 20 A K H X S+ 0 0 130 -4,-2.7 4,-2.8 2,-0.2 -1,-0.2 0.864 105.2 57.7 -64.6 -35.7 -9.0 7.0 34.7 15 21 A R H X S+ 0 0 0 -4,-1.9 4,-1.6 1,-0.2 -1,-0.2 0.937 114.0 38.1 -57.7 -51.0 -5.3 7.3 35.7 16 22 A H H X S+ 0 0 0 -4,-1.9 4,-3.0 2,-0.2 -1,-0.2 0.837 112.2 57.2 -73.7 -29.7 -4.4 4.2 33.8 17 23 A K H X S+ 0 0 82 -4,-2.5 4,-2.8 -5,-0.2 5,-0.2 0.916 106.3 51.5 -64.0 -39.3 -6.8 5.0 30.9 18 24 A H H X S+ 0 0 66 -4,-2.8 4,-2.0 2,-0.2 -2,-0.2 0.935 112.6 45.4 -57.5 -47.4 -4.9 8.3 30.5 19 25 A M H X S+ 0 0 22 -4,-1.6 4,-2.0 1,-0.2 -2,-0.2 0.913 111.7 51.6 -66.4 -41.1 -1.7 6.4 30.4 20 26 A F H X S+ 0 0 4 -4,-3.0 4,-2.1 2,-0.2 -1,-0.2 0.937 110.8 47.8 -59.5 -47.6 -3.0 3.7 28.0 21 27 A D H < S+ 0 0 83 -4,-2.8 -1,-0.2 1,-0.2 6,-0.2 0.875 108.7 55.2 -64.3 -33.6 -4.3 6.4 25.6 22 28 A F H < S+ 0 0 57 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.865 112.3 43.1 -63.5 -35.2 -0.9 8.1 25.9 23 29 A L H < S+ 0 0 26 -4,-2.0 2,-2.1 1,-0.2 3,-0.2 0.772 98.1 76.7 -80.5 -24.0 0.8 4.9 24.8 24 30 A D >< + 0 0 15 -4,-2.1 3,-1.7 1,-0.2 -1,-0.2 -0.457 59.9 162.8 -84.3 68.7 -1.8 4.3 22.1 25 31 A I T 3 S+ 0 0 156 -2,-2.1 -1,-0.2 1,-0.3 -2,-0.1 0.826 70.5 48.3 -65.7 -31.7 -0.2 6.8 19.8 26 32 A N T 3 S- 0 0 92 -3,-0.2 -1,-0.3 4,-0.2 -2,-0.1 0.405 105.7-127.0 -91.1 4.7 -2.0 5.6 16.7 27 33 A G < + 0 0 60 -3,-1.7 -2,-0.1 -6,-0.2 -3,-0.1 0.802 68.9 127.5 65.9 32.0 -5.4 5.5 18.4 28 34 A N S S- 0 0 76 2,-0.3 -1,-0.1 50,-0.0 3,-0.1 0.370 76.3-113.8-107.3 12.8 -6.3 2.0 17.5 29 35 A G S S+ 0 0 34 -5,-0.2 50,-0.5 1,-0.2 2,-0.3 0.544 84.8 84.7 79.3 7.8 -7.2 0.9 21.0 30 36 A K - 0 0 71 48,-0.2 -2,-0.3 49,-0.1 2,-0.3 -0.984 50.0-171.3-145.5 148.8 -4.3 -1.6 21.5 31 37 A I B -A 77 0A 0 46,-2.0 46,-2.8 -2,-0.3 2,-0.3 -0.932 8.8-151.5-134.1 163.2 -0.7 -1.5 22.5 32 38 A T > - 0 0 18 -2,-0.3 4,-1.8 44,-0.2 3,-0.3 -0.917 29.6-117.1-132.1 159.3 2.1 -4.0 22.5 33 39 A L H > S+ 0 0 0 39,-1.3 4,-3.0 42,-0.4 5,-0.3 0.855 114.4 64.0 -60.0 -33.5 5.2 -4.7 24.5 34 40 A D H > S+ 0 0 73 38,-0.4 4,-2.4 1,-0.2 -1,-0.2 0.925 103.7 45.9 -56.0 -44.8 7.2 -4.1 21.3 35 41 A E H > S+ 0 0 68 -3,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.904 113.1 49.3 -66.0 -40.4 5.9 -0.5 21.2 36 42 A I H X S+ 0 0 9 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.909 112.7 46.7 -65.4 -41.7 6.7 0.1 24.9 37 43 A V H X S+ 0 0 12 -4,-3.0 4,-3.0 2,-0.2 5,-0.4 0.900 111.2 51.8 -71.7 -36.2 10.2 -1.3 24.7 38 44 A S H X>S+ 0 0 51 -4,-2.4 4,-1.8 -5,-0.3 5,-1.2 0.926 109.6 50.1 -63.0 -41.5 10.9 0.7 21.5 39 45 A K H X>S+ 0 0 54 -4,-2.4 5,-2.9 1,-0.2 4,-0.5 0.934 115.3 44.9 -57.4 -47.5 9.7 3.8 23.4 40 46 A A H <>S+ 0 0 5 -4,-2.3 5,-2.3 3,-0.2 -2,-0.2 0.931 128.7 21.8 -60.4 -50.5 12.0 2.9 26.2 41 47 A S H <>S+ 0 0 14 -4,-3.0 5,-0.6 3,-0.2 -3,-0.2 0.883 128.2 37.5 -92.2 -47.6 15.1 2.0 24.2 42 48 A D H <5S+ 0 0 112 -4,-1.8 -3,-0.2 -5,-0.4 -2,-0.1 0.750 132.0 21.8 -80.7 -26.7 14.9 3.6 20.8 43 49 A D T X4 - 0 0 58 1,-0.1 4,-2.6 64,-0.0 5,-0.2 -0.341 31.1-105.4 -68.2 165.9 25.1 3.9 27.5 52 58 A P H > S+ 0 0 100 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.920 123.7 49.5 -57.5 -39.1 24.5 0.6 25.8 53 59 A E H > S+ 0 0 136 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.891 112.0 47.9 -65.4 -42.0 24.7 -1.2 29.2 54 60 A Q H > S+ 0 0 37 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.876 111.3 50.7 -67.8 -36.5 22.3 1.3 30.7 55 61 A T H X S+ 0 0 30 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.913 111.4 47.8 -65.4 -43.1 19.9 1.0 27.8 56 62 A K H X S+ 0 0 125 -4,-2.3 4,-2.5 -5,-0.2 -2,-0.2 0.915 112.4 48.8 -65.7 -44.4 19.9 -2.8 28.1 57 63 A R H X S+ 0 0 104 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.931 112.5 48.3 -62.3 -43.2 19.4 -2.7 31.9 58 64 A H H X S+ 0 0 3 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.908 110.3 52.5 -62.8 -40.6 16.5 -0.3 31.5 59 65 A Q H X S+ 0 0 61 -4,-2.5 4,-3.1 1,-0.2 5,-0.2 0.928 107.1 51.0 -62.6 -44.3 15.0 -2.5 28.8 60 66 A V H X S+ 0 0 73 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.915 112.4 47.9 -58.1 -41.4 15.2 -5.6 31.0 61 67 A C H X S+ 0 0 11 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.888 112.3 47.9 -68.7 -38.3 13.4 -3.6 33.7 62 68 A V H X S+ 0 0 2 -4,-2.6 4,-2.8 2,-0.2 5,-0.3 0.911 111.6 51.0 -65.4 -43.9 10.7 -2.3 31.3 63 69 A E H X S+ 0 0 31 -4,-3.1 4,-2.4 1,-0.2 5,-0.2 0.920 113.2 45.0 -58.0 -47.6 10.1 -5.7 29.9 64 70 A A H X S+ 0 0 38 -4,-2.3 4,-1.6 -5,-0.2 -1,-0.2 0.909 113.6 50.3 -63.6 -42.9 9.7 -7.2 33.4 65 71 A F H X S+ 0 0 2 -4,-2.5 4,-0.6 1,-0.2 -2,-0.2 0.958 116.0 39.1 -61.3 -52.3 7.5 -4.4 34.5 66 72 A F H ><>S+ 0 0 17 -4,-2.8 5,-2.5 1,-0.2 3,-0.9 0.836 110.4 58.2 -75.9 -26.8 5.1 -4.5 31.7 67 73 A R H ><5S+ 0 0 106 -4,-2.4 3,-2.1 -5,-0.3 -1,-0.2 0.862 99.1 63.2 -59.9 -31.3 5.1 -8.3 31.5 68 74 A G H 3<5S+ 0 0 27 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.778 102.9 47.8 -66.3 -20.6 3.9 -8.0 35.1 69 75 A C T <<5S- 0 0 0 -3,-0.9 16,-0.3 -4,-0.6 -1,-0.3 0.131 131.8 -92.2-106.0 25.6 0.8 -6.3 33.7 70 76 A G T < 5S+ 0 0 22 -3,-2.1 -3,-0.2 1,-0.3 -2,-0.1 0.445 78.2 141.9 94.9 -2.0 0.3 -8.8 31.1 71 77 A M < + 0 0 3 -5,-2.5 2,-0.3 -6,-0.1 -1,-0.3 -0.416 19.2 168.5 -74.8 154.8 2.1 -7.3 28.1 72 78 A E > - 0 0 72 3,-0.4 3,-2.1 -2,-0.1 -39,-1.3 -0.984 43.6 -82.8-159.8 154.1 4.1 -9.5 25.8 73 79 A Y T 3 S+ 0 0 74 -2,-0.3 3,-0.1 1,-0.3 -41,-0.0 -0.410 117.1 10.2 -62.2 138.3 5.8 -9.0 22.4 74 80 A G T 3 S+ 0 0 61 1,-0.2 2,-0.7 -2,-0.1 -1,-0.3 0.365 98.2 123.5 74.9 -1.0 3.3 -9.4 19.6 75 81 A K < - 0 0 79 -3,-2.1 2,-0.8 2,-0.0 -3,-0.4 -0.794 53.0-149.7-101.3 113.4 0.4 -9.4 22.1 76 82 A E - 0 0 116 -2,-0.7 2,-0.5 -44,-0.1 -44,-0.2 -0.754 18.7-168.9 -85.9 111.7 -2.1 -6.7 21.2 77 83 A I B -A 31 0A 1 -46,-2.8 -46,-2.0 -2,-0.8 2,-0.2 -0.884 9.2-157.2-112.6 129.1 -3.7 -5.5 24.5 78 84 A A > - 0 0 44 -2,-0.5 4,-2.4 -48,-0.2 3,-0.2 -0.473 39.6 -91.8 -95.9 170.9 -6.7 -3.3 24.8 79 85 A F H > S+ 0 0 25 -50,-0.5 4,-3.2 1,-0.2 5,-0.3 0.865 117.9 54.0 -60.5 -44.8 -7.4 -1.2 27.9 80 86 A P H > S+ 0 0 89 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.938 114.8 41.7 -58.0 -45.7 -9.7 -3.6 29.9 81 87 A Q H > S+ 0 0 97 -3,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.877 113.5 54.5 -65.1 -37.7 -7.1 -6.4 29.7 82 88 A F H X S+ 0 0 2 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.934 109.3 47.2 -58.5 -46.7 -4.3 -3.9 30.4 83 89 A L H X S+ 0 0 13 -4,-3.2 4,-2.1 2,-0.2 -2,-0.2 0.910 108.8 53.2 -65.6 -38.5 -6.1 -2.7 33.5 84 90 A D H X S+ 0 0 86 -4,-2.3 4,-1.8 -5,-0.3 -1,-0.2 0.896 108.0 53.3 -60.6 -39.4 -6.7 -6.3 34.7 85 91 A G H X S+ 0 0 3 -4,-2.2 4,-2.9 -16,-0.3 -1,-0.2 0.894 106.1 52.3 -58.6 -41.7 -2.9 -6.7 34.2 86 92 A W H X S+ 0 0 12 -4,-2.0 4,-3.0 -17,-0.2 5,-0.2 0.861 104.6 55.2 -66.8 -33.6 -2.3 -3.7 36.4 87 93 A K H X S+ 0 0 55 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.923 111.9 44.8 -62.6 -40.9 -4.5 -5.1 39.1 88 94 A Q H X S+ 0 0 129 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.922 114.2 48.2 -64.9 -47.9 -2.3 -8.2 39.0 89 95 A L H X S+ 0 0 2 -4,-2.9 4,-3.0 2,-0.2 5,-0.2 0.934 112.0 49.2 -58.8 -49.3 0.9 -6.2 38.9 90 96 A A H X S+ 0 0 0 -4,-3.0 4,-2.4 1,-0.2 -1,-0.2 0.919 111.8 49.3 -57.1 -45.9 -0.2 -4.0 41.8 91 97 A T H X S+ 0 0 66 -4,-2.2 4,-1.7 -5,-0.2 -1,-0.2 0.930 114.0 44.8 -59.1 -47.9 -1.1 -7.0 43.9 92 98 A S H X S+ 0 0 47 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.931 112.9 51.3 -62.7 -44.2 2.2 -8.7 43.2 93 99 A E H X S+ 0 0 0 -4,-3.0 4,-2.9 1,-0.2 -2,-0.2 0.899 107.9 51.8 -63.0 -40.3 4.2 -5.5 43.9 94 100 A L H X S+ 0 0 23 -4,-2.4 4,-2.2 -5,-0.2 -1,-0.2 0.869 108.1 51.8 -68.3 -32.4 2.5 -4.9 47.2 95 101 A K H X S+ 0 0 131 -4,-1.7 4,-1.6 2,-0.2 -1,-0.2 0.910 110.7 48.2 -67.0 -41.5 3.3 -8.4 48.3 96 102 A K H <>S+ 0 0 30 -4,-2.2 5,-2.6 1,-0.2 4,-0.5 0.934 110.4 52.3 -61.7 -45.4 6.9 -7.8 47.4 97 103 A W H ><5S+ 0 0 90 -4,-2.9 3,-1.3 1,-0.2 -1,-0.2 0.926 109.3 49.8 -53.2 -47.1 6.9 -4.5 49.3 98 104 A A H 3<5S+ 0 0 85 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.812 113.3 44.9 -66.8 -30.9 5.5 -6.3 52.3 99 105 A R T 3<5S- 0 0 140 -4,-1.6 -1,-0.3 -3,-0.3 -2,-0.2 0.340 114.9-112.3 -98.5 14.7 8.1 -9.0 52.3 100 106 A N T < 5 + 0 0 154 -3,-1.3 -3,-0.2 -4,-0.5 -2,-0.1 0.832 69.6 141.9 59.7 36.0 11.0 -6.5 51.6 101 107 A E < - 0 0 74 -5,-2.6 -1,-0.3 -6,-0.2 -2,-0.1 -0.877 62.1-101.0-100.3 130.9 11.6 -7.9 48.2 102 108 A P - 0 0 78 0, 0.0 2,-0.1 0, 0.0 -5,-0.1 -0.253 40.2-130.0 -56.3 137.0 12.5 -5.2 45.6 103 109 A T > - 0 0 1 1,-0.1 4,-2.5 -7,-0.1 5,-0.2 -0.460 14.4-117.0 -81.8 158.7 9.6 -4.2 43.4 104 110 A L H > S+ 0 0 24 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.858 118.0 53.7 -62.9 -34.2 9.6 -4.0 39.7 105 111 A I H > S+ 0 0 5 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.888 107.9 50.0 -71.7 -35.1 8.8 -0.3 39.9 106 112 A R H > S+ 0 0 68 2,-0.2 4,-2.9 1,-0.2 -2,-0.2 0.936 111.5 48.6 -60.1 -47.0 11.8 0.1 42.2 107 113 A E H X S+ 0 0 89 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.894 111.2 48.9 -66.7 -37.2 14.0 -1.7 39.7 108 114 A W H X S+ 0 0 45 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.952 111.2 51.9 -62.3 -45.8 12.8 0.3 36.8 109 115 A G H X S+ 0 0 14 -4,-2.5 4,-3.3 1,-0.2 5,-0.3 0.909 105.7 54.3 -55.4 -45.5 13.4 3.4 38.9 110 116 A D H X S+ 0 0 40 -4,-2.9 4,-2.2 1,-0.2 -1,-0.2 0.908 109.2 48.9 -54.1 -41.9 17.0 2.2 39.6 111 117 A A H X S+ 0 0 1 -4,-1.9 4,-1.2 2,-0.2 -1,-0.2 0.874 113.5 45.1 -69.0 -37.3 17.5 1.9 35.9 112 118 A V H X S+ 0 0 15 -4,-2.2 4,-1.4 2,-0.2 3,-0.4 0.954 113.9 49.1 -69.2 -47.2 16.1 5.4 35.1 113 119 A F H < S+ 0 0 7 -4,-3.3 4,-0.3 1,-0.2 -2,-0.2 0.882 105.7 57.5 -62.5 -35.2 18.0 7.0 37.9 114 120 A D H >< S+ 0 0 60 -4,-2.2 3,-1.1 -5,-0.3 -1,-0.2 0.877 101.5 55.8 -63.7 -33.3 21.3 5.4 36.9 115 121 A I H 3< S+ 0 0 23 -4,-1.2 -1,-0.2 -3,-0.4 -2,-0.2 0.925 112.8 43.6 -64.0 -34.8 21.0 7.0 33.4 116 122 A F T 3< 0 0 21 -4,-1.4 -1,-0.3 -3,-0.2 -2,-0.2 0.348 360.0 360.0 -89.0 3.2 20.7 10.3 35.2 117 123 A D < 0 0 129 -3,-1.1 -1,-0.1 -4,-0.3 4,-0.1 -0.254 360.0 360.0 -69.9 360.0 23.5 9.7 37.7 118 ! 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 0.0 119 128 A G 0 0 49 0, 0.0 40,-2.5 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 23.4 20.0 7.3 43.3 120 129 A T E -B 158 0B 43 38,-0.2 2,-0.4 -7,-0.2 38,-0.2 -0.937 360.0-163.0-124.9 148.8 19.0 11.0 42.9 121 130 A I E -B 157 0B 1 36,-2.6 36,-2.8 -2,-0.3 2,-0.2 -0.975 17.3-134.2-122.8 138.5 17.5 13.1 40.1 122 131 A T > - 0 0 43 -2,-0.4 4,-2.6 34,-0.2 5,-0.2 -0.491 28.1-108.4 -86.2 165.9 17.6 16.8 39.8 123 132 A L H > S+ 0 0 49 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.914 121.5 52.4 -60.5 -41.2 14.5 18.9 38.9 124 133 A D H > S+ 0 0 117 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.904 108.9 49.6 -63.7 -36.5 16.1 19.7 35.5 125 134 A E H > S+ 0 0 55 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.927 111.2 49.3 -65.1 -43.4 16.7 16.0 34.9 126 135 A W H X S+ 0 0 10 -4,-2.6 4,-2.9 1,-0.2 -2,-0.2 0.895 107.8 54.2 -63.0 -38.7 13.1 15.2 35.8 127 136 A K H X S+ 0 0 28 -4,-2.6 4,-1.8 2,-0.2 -1,-0.2 0.919 109.5 48.3 -60.2 -42.0 11.9 18.0 33.4 128 137 A A H X S+ 0 0 40 -4,-2.0 4,-2.8 2,-0.2 5,-0.2 0.928 111.3 49.7 -64.2 -43.8 13.9 16.4 30.6 129 138 A Y H X>S+ 0 0 23 -4,-2.5 4,-2.9 1,-0.2 5,-0.5 0.918 107.3 55.5 -59.8 -42.9 12.5 13.0 31.4 130 139 A G H X5S+ 0 0 0 -4,-2.9 6,-1.6 1,-0.2 4,-0.6 0.893 114.5 39.0 -59.2 -38.4 9.0 14.5 31.4 131 140 A K H <5S+ 0 0 111 -4,-1.8 -1,-0.2 2,-0.2 -2,-0.2 0.887 118.5 46.7 -74.5 -43.5 9.5 15.8 27.9 132 141 A I H <5S+ 0 0 37 -4,-2.8 -2,-0.2 1,-0.2 -3,-0.2 0.935 120.9 35.8 -72.5 -46.9 11.4 12.8 26.5 133 142 A S H <5S- 0 0 3 -4,-2.9 -1,-0.2 -5,-0.2 -3,-0.2 0.751 102.9-137.3 -73.2 -21.8 9.1 10.1 27.9 134 143 A G S <> - 0 0 41 1,-0.2 4,-1.6 -8,-0.1 3,-0.6 -0.753 68.4-151.0 -83.7 126.0 5.0 20.7 31.1 139 148 A Q H 3> S+ 0 0 99 -2,-0.6 4,-2.5 1,-0.2 -1,-0.2 0.819 96.6 61.4 -67.3 -25.5 7.9 21.9 33.2 140 149 A E H 3> S+ 0 0 135 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.866 101.7 51.1 -64.2 -36.2 5.4 23.2 35.7 141 150 A D H <> S+ 0 0 23 -3,-0.6 4,-1.8 2,-0.2 -1,-0.2 0.879 109.4 50.8 -69.5 -32.0 4.0 19.7 36.2 142 151 A C H X S+ 0 0 0 -4,-1.6 4,-1.6 2,-0.2 -2,-0.2 0.909 107.9 52.0 -71.1 -36.5 7.6 18.5 36.8 143 152 A E H X S+ 0 0 58 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.900 106.5 55.8 -58.6 -38.3 8.0 21.4 39.3 144 153 A A H X S+ 0 0 13 -4,-2.1 4,-2.8 1,-0.2 -2,-0.2 0.900 101.4 56.4 -61.7 -41.7 4.9 20.0 40.9 145 154 A T H X S+ 0 0 0 -4,-1.8 4,-2.3 1,-0.2 -1,-0.2 0.926 109.3 45.9 -53.8 -44.5 6.4 16.6 41.3 146 155 A F H < S+ 0 0 11 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.890 112.8 49.0 -71.3 -36.6 9.3 18.1 43.3 147 156 A R H < S+ 0 0 181 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.912 113.8 48.9 -61.6 -40.7 7.0 20.2 45.4 148 157 A H H < S+ 0 0 53 -4,-2.8 -2,-0.2 -5,-0.2 -1,-0.2 0.879 103.1 68.9 -66.1 -44.4 4.9 17.1 46.1 149 158 A C S < S- 0 0 6 -4,-2.3 2,-0.8 -5,-0.2 13,-0.0 -0.350 89.7-108.6 -77.6 157.4 7.7 14.7 47.0 150 159 A D - 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0 0 17 -6,-2.1 3,-2.5 -172,-0.2 4,-0.7 -0.552 25.8-139.6 -65.9 124.8 -3.1 6.9 47.8 175 184 A P G >4 S+ 0 0 91 0, 0.0 3,-0.9 0, 0.0 -1,-0.2 0.827 104.5 63.5 -54.3 -31.0 -4.4 10.5 48.4 176 185 A E G 34 S+ 0 0 150 1,-0.2 -7,-0.1 3,-0.0 -2,-0.1 0.646 103.0 48.4 -67.9 -14.3 -0.9 11.2 49.6 177 186 A A G X4 S+ 0 0 1 -3,-2.5 3,-1.6 -9,-0.2 -1,-0.2 0.538 81.8 117.8 -99.9 -10.4 0.4 10.4 46.0 178 187 A D T << S+ 0 0 47 -3,-0.9 -9,-0.1 -4,-0.7 4,-0.0 -0.273 75.7 28.2 -55.1 142.7 -2.1 12.6 44.2 179 188 A G T > S+ 0 0 31 6,-0.3 3,-2.0 3,-0.2 -1,-0.3 0.533 75.3 134.8 85.8 8.3 -0.4 15.3 42.2 180 189 A L T < S+ 0 0 0 -3,-1.6 -31,-0.1 1,-0.3 -32,-0.1 0.835 84.8 30.9 -59.2 -35.9 2.8 13.3 41.8 181 190 A Y T > S- 0 0 7 1,-0.5 3,-2.5 4,-0.4 -1,-0.3 -0.032 107.6-131.5-110.4 30.5 2.9 14.4 38.1 182 191 A G T < S- 0 0 14 -3,-2.0 -1,-0.5 1,-0.3 3,-0.4 -0.406 72.9 -28.8 58.3-137.0 1.1 17.7 38.6 183 192 A N T 3 S+ 0 0 151 1,-0.2 -1,-0.3 -3,-0.1 -3,-0.1 0.323 122.5 92.0 -84.7 4.4 -1.7 18.0 36.0 184 193 A G S < S+ 0 0 14 -3,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.811 97.5 21.4 -72.8 -30.1 0.2 15.8 33.6 185 194 A V 0 0 1 -3,-0.4 -4,-0.4 -4,-0.2 -6,-0.3 -0.975 360.0 360.0-138.0 123.6 -1.4 12.6 34.8 186 195 A P 0 0 55 0, 0.0 -168,-0.1 0, 0.0 -3,-0.1 -0.404 360.0 360.0 -70.7 360.0 -4.8 12.6 36.7