==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PHOTOSYNTHESIS 27-FEB-03 1ON7 . COMPND 2 MOLECULE: C-PHYCOCYANIN ALPHA SUBUNIT; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOSYNECHOCOCCUS VULCANUS; . AUTHOR N.ADIR,N.LERNER . 334 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15484.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 279 83.5 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 . 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 . 3 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 50 15.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 210 62.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 3.3 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 2 0 1 1 3 0 1 1 0 0 2 1 0 0 0 0 1 2 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 M 0 0 17 0, 0.0 2,-0.5 0, 0.0 168,-0.1 0.000 360.0 360.0 360.0-102.8 142.3 -64.5 -8.3 2 2 A K + 0 0 76 4,-0.1 103,-0.6 167,-0.0 106,-0.1 -0.963 360.0 150.7-125.1 120.7 140.6 -64.4 -4.9 3 3 A T > - 0 0 1 -2,-0.5 4,-2.8 102,-0.1 5,-0.2 -0.872 63.0 -88.1-136.9 169.2 137.3 -62.8 -4.1 4 4 A P H > S+ 0 0 42 0, 0.0 4,-1.4 0, 0.0 23,-0.1 0.819 129.3 45.1 -49.2 -32.4 134.5 -63.3 -1.5 5 5 A I H >> S+ 0 0 1 2,-0.2 4,-2.8 1,-0.2 3,-0.5 0.986 110.8 46.6 -75.1 -65.4 133.0 -65.7 -4.2 6 6 A T H 3> S+ 0 0 4 1,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.823 110.1 62.4 -45.7 -32.6 136.0 -67.7 -5.3 7 7 A E H 3X S+ 0 0 101 -4,-2.8 4,-2.0 2,-0.2 -1,-0.3 0.978 109.5 36.1 -55.6 -60.8 136.5 -67.9 -1.6 8 8 A A H <>S+ 0 0 0 -4,-2.4 5,-3.2 1,-0.2 3,-0.7 0.914 114.5 45.3 -57.8 -42.6 132.8 -76.1 -1.0 13 13 A D H ><5S+ 0 0 19 -4,-1.8 3,-3.1 -5,-0.3 -2,-0.2 0.936 106.1 55.5 -68.1 -49.7 135.1 -77.7 -3.6 14 14 A T T 3<5S+ 0 0 111 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.536 114.6 44.4 -63.6 -1.5 137.9 -78.6 -1.2 15 15 A Q T < 5S- 0 0 124 -3,-0.7 -1,-0.3 -4,-0.4 -2,-0.2 0.238 111.7-125.6-120.1 7.1 135.2 -80.4 0.7 16 16 A G T < 5 + 0 0 46 -3,-3.1 2,-0.3 1,-0.2 -3,-0.2 0.801 69.0 118.9 51.8 37.6 133.7 -81.9 -2.4 17 17 A R < - 0 0 76 -5,-3.2 -2,-0.2 -6,-0.2 -1,-0.2 -0.888 69.2 -96.6-132.4 162.1 130.3 -80.5 -1.6 18 18 A F - 0 0 32 -2,-0.3 -1,-0.1 1,-0.2 237,-0.0 -0.257 65.1 -70.8 -67.5 161.6 127.7 -78.2 -3.0 19 19 A L - 0 0 14 235,-0.1 -1,-0.2 1,-0.1 2,-0.1 -0.150 49.9-125.9 -57.0 147.3 127.6 -74.7 -1.7 20 20 A S > - 0 0 30 -12,-0.1 4,-1.5 -3,-0.1 5,-0.1 -0.462 19.6-114.9 -89.1 166.9 126.5 -74.0 1.9 21 21 A N H > S+ 0 0 96 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.928 116.3 54.4 -67.7 -42.4 123.8 -71.6 2.8 22 22 A T H > S+ 0 0 95 1,-0.2 4,-2.6 2,-0.2 3,-0.2 0.975 105.0 51.6 -50.9 -65.2 126.3 -69.4 4.6 23 23 A E H > S+ 0 0 20 1,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.839 110.4 51.4 -42.4 -39.3 128.6 -69.1 1.6 24 24 A L H X S+ 0 0 15 -4,-1.5 4,-2.3 2,-0.2 3,-0.4 0.964 107.4 50.1 -65.7 -49.0 125.5 -68.1 -0.3 25 25 A Q H X S+ 0 0 119 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.861 107.6 59.5 -54.8 -33.8 124.7 -65.4 2.3 26 26 A A H X S+ 0 0 48 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.898 102.9 47.0 -62.1 -47.0 128.3 -64.4 1.9 27 27 A V H X S+ 0 0 0 -4,-1.8 4,-3.0 -3,-0.4 5,-0.2 0.940 109.8 56.8 -61.9 -43.8 128.0 -63.6 -1.8 28 28 A D H X S+ 0 0 44 -4,-2.3 4,-3.1 1,-0.3 3,-0.3 0.963 108.0 44.6 -50.0 -61.0 124.9 -61.7 -1.0 29 29 A G H X S+ 0 0 34 -4,-2.6 4,-2.5 1,-0.3 5,-0.3 0.888 110.3 57.5 -50.2 -41.4 126.7 -59.5 1.4 30 30 A R H X S+ 0 0 17 -4,-2.4 4,-2.1 1,-0.2 -1,-0.3 0.936 110.7 42.6 -53.8 -49.5 129.4 -59.2 -1.2 31 31 A F H X S+ 0 0 13 -4,-3.0 4,-1.1 -3,-0.3 -2,-0.2 0.913 110.0 56.7 -63.8 -45.4 126.9 -57.9 -3.7 32 32 A K H < S+ 0 0 133 -4,-3.1 4,-0.3 1,-0.2 -1,-0.2 0.870 114.1 38.6 -58.1 -37.1 125.2 -55.6 -1.1 33 33 A R H >X S+ 0 0 86 -4,-2.5 4,-1.5 -5,-0.2 3,-0.6 0.813 97.9 81.5 -83.5 -27.1 128.5 -53.9 -0.4 34 34 A A H 3X S+ 0 0 1 -4,-2.1 4,-3.1 -5,-0.3 3,-0.2 0.883 79.3 68.7 -38.8 -58.7 129.6 -54.0 -4.1 35 35 A V H 3X S+ 0 0 78 -4,-1.1 4,-2.3 1,-0.3 5,-0.3 0.792 104.8 37.5 -27.9 -67.8 127.5 -50.9 -4.9 36 36 A A H <> S+ 0 0 15 -3,-0.6 4,-2.7 -4,-0.3 -1,-0.3 0.924 117.3 52.3 -57.2 -48.2 129.6 -48.4 -2.9 37 37 A S H X S+ 0 0 4 -4,-1.5 4,-3.3 -3,-0.2 -2,-0.2 0.910 111.1 47.4 -56.0 -46.1 132.8 -50.1 -3.8 38 38 A M H X S+ 0 0 4 -4,-3.1 4,-2.2 2,-0.2 5,-0.2 0.995 112.4 45.9 -58.9 -65.7 132.0 -50.0 -7.5 39 39 A E H X S+ 0 0 113 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.872 113.9 53.2 -45.0 -41.1 130.9 -46.3 -7.6 40 40 A A H X S+ 0 0 0 -4,-2.7 4,-1.7 -5,-0.3 3,-0.3 0.995 105.1 53.2 -55.8 -65.4 134.0 -45.7 -5.6 41 41 A A H X S+ 0 0 0 -4,-3.3 4,-2.6 1,-0.3 -2,-0.2 0.814 108.5 49.8 -35.4 -52.5 136.2 -47.5 -8.2 42 42 A R H X S+ 0 0 56 -4,-2.2 4,-3.2 1,-0.2 5,-0.3 0.960 105.5 56.1 -56.1 -55.5 134.8 -45.3 -11.0 43 43 A A H < S+ 0 0 36 -4,-2.2 4,-0.3 -3,-0.3 -1,-0.2 0.847 111.5 43.8 -45.1 -43.3 135.5 -42.1 -9.2 44 44 A L H >< S+ 0 0 5 -4,-1.7 3,-1.5 2,-0.2 -1,-0.3 0.917 112.0 53.7 -69.5 -43.5 139.1 -43.0 -8.8 45 45 A T H >< S+ 0 0 25 -4,-2.6 3,-0.9 -5,-0.3 -2,-0.2 0.904 106.2 52.3 -57.7 -41.2 139.2 -44.2 -12.4 46 46 A N T 3< S+ 0 0 106 -4,-3.2 -1,-0.3 1,-0.3 -2,-0.2 0.586 112.8 47.7 -72.5 -8.4 137.9 -40.8 -13.5 47 47 A N T < S+ 0 0 81 -3,-1.5 4,-0.5 -4,-0.3 -1,-0.3 -0.303 72.1 126.9-126.9 48.9 140.7 -39.1 -11.5 48 48 A A S X> S+ 0 0 16 -3,-0.9 4,-4.0 2,-0.2 3,-1.8 0.999 78.3 32.4 -66.5 -74.9 143.8 -41.1 -12.6 49 49 A Q H 3>>S+ 0 0 115 1,-0.3 4,-1.3 2,-0.2 5,-0.9 0.903 113.6 60.5 -50.5 -50.9 146.2 -38.4 -13.7 50 50 A S H 345S+ 0 0 64 1,-0.2 -1,-0.3 3,-0.2 -2,-0.2 0.747 119.8 30.9 -51.7 -22.8 144.9 -35.8 -11.2 51 51 A L H <>5S+ 0 0 5 -3,-1.8 4,-3.6 -4,-0.5 5,-0.4 0.819 120.6 49.0-101.7 -48.9 146.0 -38.4 -8.6 52 52 A I H X5S+ 0 0 19 -4,-4.0 4,-2.6 1,-0.2 -3,-0.2 0.987 118.8 37.9 -53.1 -70.6 148.9 -40.1 -10.3 53 53 A D H X5S+ 0 0 85 -4,-1.3 4,-1.4 1,-0.2 -1,-0.2 0.758 117.6 58.9 -53.2 -25.1 150.7 -36.9 -11.3 54 54 A G H >>X S+ 0 0 18 -4,-2.6 4,-2.0 -5,-0.4 3,-1.1 0.969 100.8 34.2 -50.2 -65.1 154.0 -38.0 -8.3 57 57 A Q H < S+ 0 0 36 -4,-1.7 3,-1.5 1,-0.1 -1,-0.3 -0.642 75.5 170.8-117.6 74.1 162.4 -37.0 -1.3 64 64 A P G > + 0 0 77 0, 0.0 3,-2.3 0, 0.0 4,-0.4 0.751 65.3 71.9 -51.4 -41.0 164.1 -34.4 -3.6 65 65 A Y G >> S+ 0 0 77 1,-0.3 4,-3.2 2,-0.2 3,-1.5 0.771 82.2 74.1 -52.8 -26.9 167.4 -36.4 -4.2 66 66 A T G <4 S+ 0 0 7 -3,-1.5 9,-1.5 1,-0.3 -1,-0.3 0.437 95.9 52.7 -67.9 4.9 165.3 -38.8 -6.3 67 67 A T G <4 S+ 0 0 63 -3,-2.3 -1,-0.3 -7,-0.1 -2,-0.2 0.543 128.9 12.6-111.6 -17.1 165.4 -35.9 -8.8 68 68 A T T <4 S+ 0 0 110 -3,-1.5 2,-1.0 -4,-0.4 -2,-0.2 0.638 91.7 102.4-129.1 -39.5 169.2 -35.4 -8.8 69 69 A M S < S- 0 0 91 -4,-3.2 7,-0.3 -5,-0.1 -1,-0.1 -0.361 77.8-127.5 -56.2 96.5 171.0 -38.3 -7.1 70 70 A Q + 0 0 173 -2,-1.0 2,-0.2 5,-0.1 -1,-0.1 -0.184 56.9 117.4 -50.9 130.6 172.1 -40.1 -10.3 71 71 A G S > S- 0 0 15 5,-0.2 3,-2.5 3,-0.2 5,-0.3 -0.683 71.7-110.9 166.5 139.5 171.0 -43.7 -10.3 72 72 A S T 3 S+ 0 0 120 1,-0.3 -1,-0.1 -2,-0.2 51,-0.0 0.873 119.3 54.1 -45.6 -45.6 168.9 -46.3 -12.1 73 73 A Q T 3 S+ 0 0 53 -3,-0.1 2,-0.3 2,-0.1 -1,-0.3 0.133 101.2 82.1 -79.7 21.1 166.6 -46.4 -9.1 74 74 A Y S < S- 0 0 41 -3,-2.5 6,-0.2 50,-0.1 -3,-0.2 -0.894 78.4-130.2-126.9 158.0 166.1 -42.6 -9.3 75 75 A A + 0 0 3 -9,-1.5 2,-2.6 -2,-0.3 6,-0.2 0.167 69.7 120.9 -89.8 17.6 164.0 -40.2 -11.3 76 76 A S S S+ 0 0 28 -5,-0.3 -5,-0.2 -7,-0.3 -1,-0.1 -0.308 72.0 49.0 -78.0 57.6 167.0 -38.1 -12.1 77 77 A T S > S- 0 0 39 -2,-2.6 4,-3.4 -7,-0.1 5,-0.3 -0.749 96.7-103.9 171.8 139.2 166.3 -38.7 -15.8 78 78 A P H > S+ 0 0 91 0, 0.0 4,-1.0 0, 0.0 -2,-0.1 0.644 124.6 54.9 -49.8 -8.7 163.3 -38.6 -18.2 79 79 A E H > S+ 0 0 116 2,-0.2 4,-2.9 3,-0.1 5,-0.2 0.928 109.5 36.9 -86.7 -71.8 163.6 -42.4 -17.7 80 80 A G H > S+ 0 0 6 1,-0.2 4,-3.4 -6,-0.2 5,-0.3 0.863 117.2 58.9 -49.9 -34.6 163.4 -42.8 -13.9 81 81 A K H X S+ 0 0 80 -4,-3.4 4,-1.0 -6,-0.2 -1,-0.2 0.980 108.8 41.2 -57.0 -58.3 161.0 -40.0 -14.1 82 82 A A H X S+ 0 0 58 -4,-1.0 4,-2.4 -5,-0.3 -2,-0.2 0.849 117.5 49.9 -58.0 -39.0 158.7 -42.0 -16.5 83 83 A K H X S+ 0 0 98 -4,-2.9 4,-3.3 2,-0.3 5,-0.2 0.942 106.4 49.9 -69.3 -51.1 159.2 -45.1 -14.5 84 84 A C H X S+ 0 0 40 -4,-3.4 4,-1.5 1,-0.2 -1,-0.2 0.757 116.9 48.8 -60.2 -17.6 158.5 -43.8 -11.0 85 85 A A H X S+ 0 0 40 -4,-1.0 4,-1.9 -5,-0.3 -2,-0.3 0.851 106.8 51.6 -85.1 -43.5 155.5 -42.5 -13.0 86 86 A R H X S+ 0 0 99 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.965 113.0 48.5 -56.3 -50.7 154.7 -45.9 -14.5 87 87 A D H X S+ 0 0 25 -4,-3.3 4,-1.7 1,-0.2 -2,-0.2 0.933 105.0 55.2 -55.3 -57.3 154.8 -47.4 -11.0 88 88 A I H X S+ 0 0 13 -4,-1.5 4,-1.7 1,-0.2 3,-0.4 0.916 108.9 48.6 -45.1 -53.9 152.6 -44.9 -9.3 89 89 A G H X S+ 0 0 7 -4,-1.9 4,-3.2 1,-0.2 5,-0.3 0.924 103.5 61.8 -53.8 -48.3 149.8 -45.5 -11.8 90 90 A Y H X S+ 0 0 101 -4,-1.9 4,-0.5 1,-0.2 -1,-0.2 0.888 103.4 49.9 -44.2 -50.3 150.1 -49.2 -11.4 91 91 A Y H >X S+ 0 0 24 -4,-1.7 4,-1.7 -3,-0.4 3,-1.3 0.944 112.9 45.0 -57.3 -51.8 149.2 -49.0 -7.7 92 92 A L H >X S+ 0 0 3 -4,-1.7 4,-1.9 1,-0.3 3,-0.8 0.969 109.9 54.4 -56.1 -53.8 146.2 -46.9 -8.3 93 93 A R H 3X S+ 0 0 14 -4,-3.2 4,-0.7 1,-0.3 -1,-0.3 0.634 110.1 52.4 -56.3 -11.7 145.1 -49.1 -11.2 94 94 A M H X S+ 0 0 0 -4,-1.9 4,-2.7 2,-0.2 3,-0.8 0.968 104.1 54.3 -60.9 -52.3 140.4 -50.0 -8.2 97 97 A Y H 3X S+ 0 0 0 -4,-0.7 4,-2.8 1,-0.3 5,-0.2 0.908 105.3 54.8 -46.0 -48.0 140.6 -53.7 -9.3 98 98 A C H 3X>S+ 0 0 0 -4,-1.8 5,-1.9 1,-0.2 4,-1.6 0.879 110.1 46.1 -54.2 -41.1 140.3 -54.6 -5.6 99 99 A L H <<5S+ 0 0 0 -4,-1.6 -2,-0.2 -3,-0.8 -1,-0.2 0.938 114.0 46.5 -67.5 -49.0 137.0 -52.5 -5.4 100 100 A V H <5S+ 0 0 0 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.827 117.5 45.9 -62.5 -31.1 135.6 -54.0 -8.5 101 101 A A H <5S- 0 0 0 -4,-2.8 -1,-0.2 -5,-0.4 -2,-0.2 0.721 106.1-126.7 -86.1 -23.2 136.6 -57.4 -7.3 102 102 A G T <5S+ 0 0 19 -4,-1.6 2,-0.3 1,-0.3 -3,-0.2 0.700 79.3 43.7 84.7 19.1 135.3 -57.0 -3.8 103 103 A G S > S+ 0 0 19 -2,-0.3 3,-2.5 1,-0.2 4,-1.8 0.675 86.4 108.6 -84.7 -18.7 142.3 -57.6 -2.1 105 105 A G H 3> S+ 0 0 1 -103,-0.6 4,-2.1 1,-0.3 -1,-0.2 0.688 74.0 52.0 -26.1 -50.7 142.8 -60.6 -4.4 106 106 A P H 3> S+ 0 0 0 0, 0.0 4,-1.2 0, 0.0 5,-0.3 0.794 111.9 45.0 -65.0 -31.8 143.9 -58.6 -7.5 107 107 A M H <>>S+ 0 0 2 -3,-2.5 5,-3.4 2,-0.2 4,-2.0 0.882 110.7 55.8 -78.5 -39.0 146.6 -56.7 -5.6 108 108 A D H <>S+ 0 0 34 -4,-1.8 5,-1.1 1,-0.2 -1,-0.1 0.923 115.3 36.1 -57.3 -48.3 147.8 -59.8 -4.0 109 109 A E H <5S+ 0 0 113 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.692 127.8 32.2 -83.8 -19.0 148.3 -61.7 -7.3 110 110 A Y H <5S+ 0 0 73 -4,-1.2 -3,-0.2 -5,-0.2 -2,-0.2 0.820 137.3 2.7-105.5 -39.6 149.5 -58.8 -9.4 111 111 A L T <5S+ 0 0 26 -4,-2.0 -3,-0.2 -5,-0.3 -4,-0.1 0.776 122.5 57.3-112.9 -53.7 151.5 -56.4 -7.2 112 112 A I T > S+ 0 0 33 -2,-0.4 4,-2.0 1,-0.1 -1,-0.3 0.606 84.1 147.7 72.4 14.1 157.1 -60.7 -4.5 115 115 A L H <> + 0 0 18 -3,-1.7 4,-2.3 1,-0.2 5,-0.2 0.794 67.7 55.0 -49.8 -33.7 156.9 -57.0 -3.7 116 116 A S H > S+ 0 0 89 -4,-0.3 4,-4.0 2,-0.2 -1,-0.2 0.993 105.7 44.8 -65.6 -66.3 160.0 -57.4 -1.5 117 117 A E H > S+ 0 0 107 1,-0.2 4,-2.5 2,-0.2 5,-0.3 0.861 116.1 52.7 -46.6 -40.0 162.5 -59.0 -3.9 118 118 A I H X S+ 0 0 81 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.946 112.7 39.5 -64.7 -51.9 161.4 -56.4 -6.4 119 119 A N H X>S+ 0 0 13 -4,-2.3 5,-2.0 -5,-0.2 4,-0.5 0.948 123.2 46.8 -61.7 -45.3 161.9 -53.4 -4.2 120 120 A S H ><5S+ 0 0 85 -4,-4.0 3,-4.1 3,-0.2 -2,-0.2 0.975 112.4 43.9 -54.5 -84.9 165.0 -55.1 -3.0 121 121 A T H 3<5S+ 0 0 105 -4,-2.5 -1,-0.2 1,-0.3 -3,-0.2 0.697 123.1 37.5 -33.0 -41.4 166.6 -56.2 -6.2 122 122 A F H 3<5S- 0 0 129 -4,-1.9 -1,-0.3 -5,-0.3 -2,-0.2 0.445 112.5-120.1 -97.0 0.7 165.9 -52.9 -8.0 123 123 A D T <<5 + 0 0 81 -3,-4.1 2,-0.4 -4,-0.5 -3,-0.2 0.974 51.2 162.5 57.3 85.3 166.6 -50.9 -4.9 124 124 A L < - 0 0 30 -5,-2.0 -1,-0.2 -4,-0.0 -2,-0.1 -0.966 37.3-126.5-139.1 117.0 163.3 -49.2 -4.5 125 125 A S >> - 0 0 37 -2,-0.4 3,-1.9 1,-0.1 4,-0.6 -0.516 7.3-147.7 -70.3 116.5 162.4 -47.6 -1.1 126 126 A P H >> S+ 0 0 51 0, 0.0 4,-2.2 0, 0.0 3,-0.9 0.799 100.3 59.9 -50.8 -33.6 159.1 -48.8 0.3 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0.864 120.7 66.3 -40.7 -45.9 125.9 -101.5 -9.3 240 79 B R H 3> S+ 0 0 186 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.913 109.3 33.6 -42.7 -59.2 129.6 -100.7 -9.1 241 80 B R H X S+ 0 0 8 -4,-2.2 4,-2.7 1,-0.3 3,-0.5 0.945 112.3 50.1 -42.4 -67.7 127.0 -86.6 -13.0 250 89 B E H 3X S+ 0 0 85 -4,-2.5 4,-3.1 1,-0.3 -1,-0.3 0.837 109.0 55.1 -41.5 -41.6 126.5 -85.1 -9.6 251 90 B I H 3X S+ 0 0 47 -4,-2.5 4,-1.6 -3,-0.4 -1,-0.3 0.958 109.4 45.5 -57.6 -53.6 130.2 -84.1 -9.7 252 91 B I H X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 3,-1.6 0.987 106.4 57.1 -55.7 -57.3 126.5 -80.6 -11.7 254 93 B R H 3X S+ 0 0 23 -4,-3.1 4,-1.3 1,-0.3 -1,-0.2 0.792 107.7 48.2 -42.4 -38.0 128.3 -79.5 -8.6 255 94 B Y H 3X S+ 0 0 21 -4,-1.6 4,-2.5 -3,-0.3 -1,-0.3 0.820 106.7 55.7 -77.6 -28.2 130.8 -77.7 -10.7 256 95 B V H S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 5,-1.9 0.865 112.1 50.7 -50.1 -42.3 130.4 -71.7 -12.3 260 99 B I H <5S+ 0 0 1 -4,-3.4 -1,-0.2 2,-0.2 3,-0.2 0.969 109.8 46.5 -61.7 -57.0 126.9 -70.2 -12.0 261 100 B L H <5S+ 0 0 2 -4,-2.9 -1,-0.2 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C T <<5S+ 0 0 17 -4,-1.1 -3,-0.2 -3,-0.5 4,-0.2 0.481 122.3 43.3-142.7 -64.6 136.3 -80.4 -14.2 273 112 B L T >> S+ 0 0 27 1,-0.1 4,-1.9 58,-0.1 3,-0.4 0.473 96.5 123.7 67.6 4.3 140.9 -83.4 -20.2 276 115 B L H <> + 0 0 21 -3,-2.9 4,-2.0 1,-0.2 5,-0.3 0.874 67.2 65.2 -62.8 -34.5 137.8 -85.3 -19.1 277 116 B R H X S+ 0 0 84 -4,-0.5 4,-1.4 56,-0.4 -1,-0.2 0.929 105.8 42.7 -50.0 -49.0 137.2 -86.1 -22.7 278 117 B E H > S+ 0 0 98 -3,-0.4 4,-3.2 2,-0.2 5,-0.3 0.893 107.4 62.7 -63.5 -44.3 140.3 -88.1 -22.7 279 118 B T H X S+ 0 0 74 -4,-1.9 4,-2.4 1,-0.2 5,-0.2 0.947 106.2 41.5 -48.6 -62.6 139.5 -89.7 -19.3 280 119 B Y H X>S+ 0 0 14 -4,-2.0 5,-2.2 1,-0.2 4,-0.7 0.879 114.2 55.7 -56.7 -37.1 136.3 -91.4 -20.5 281 120 B Q H ><5S+ 0 0 130 -4,-1.4 3,-2.1 -5,-0.3 -2,-0.2 0.984 107.4 45.7 -57.9 -60.5 138.1 -92.4 -23.6 282 121 B A H 3<5S+ 0 0 97 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.883 117.4 46.9 -47.7 -42.5 140.9 -94.1 -21.8 283 122 B L H 3<5S- 0 0 113 -4,-2.4 -1,-0.3 -5,-0.3 -2,-0.2 0.577 114.8-123.1 -75.2 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-76.1 -22.6 330 169 B A H X S+ 0 0 1 -4,-2.2 4,-0.7 -5,-0.2 -1,-0.2 0.906 107.3 58.5 -69.3 -44.4 130.5 -79.2 -20.5 331 170 B A H X S+ 0 0 3 -4,-2.2 4,-1.0 1,-0.2 -1,-0.2 0.640 108.4 48.2 -62.4 -15.6 128.5 -81.5 -22.6 332 171 B A H < S+ 0 0 60 -4,-1.3 -1,-0.2 -3,-0.5 -2,-0.2 0.902 97.5 67.8 -86.6 -51.7 130.7 -80.6 -25.6 333 172 B A H < S+ 0 0 25 -4,-1.7 -56,-0.4 1,-0.2 -2,-0.2 0.651 114.6 29.5 -40.8 -24.7 134.0 -81.1 -23.7 334 173 B V H < 0 0 5 -4,-0.7 -1,-0.2 -47,-0.1 -2,-0.2 0.795 360.0 360.0-106.8 -43.7 133.2 -84.9 -23.5 335 174 B A < 0 0 80 -4,-1.0 -47,-0.2 -5,-0.2 -58,-0.1 -0.249 360.0 360.0 -63.7 360.0 131.2 -85.7 -26.6