==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 28-OCT-10 3PF6 . COMPND 2 MOLECULE: HYPOTHETICAL PROTEIN PP-LUZ7_GP033; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS PHAGE LUZ7; . AUTHOR M.E.CUFF,E.EVDOKIMOVA,F.LIU,A.EDWARDS,A.SAVCHENKO,A.JOACHIMI . 230 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11833.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 140 60.9 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 . 14 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 8 3.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 110 47.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.3 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 0 0 0 0 0 4 0 0 0 0 0 0 0 0 2 2 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 0 A G 0 0 34 0, 0.0 2,-0.7 0, 0.0 88,-0.1 0.000 360.0 360.0 360.0 149.7 0.1 44.1 16.7 2 1 A X > - 0 0 7 1,-0.1 3,-1.9 196,-0.1 78,-0.1 -0.912 360.0-164.1-108.3 103.6 -1.2 40.6 17.5 3 2 A S T 3 S+ 0 0 55 -2,-0.7 -1,-0.1 1,-0.3 77,-0.1 0.564 79.2 76.5 -75.6 -8.5 -3.8 41.1 20.2 4 3 A Q T 3 S+ 0 0 46 1,-0.1 2,-0.6 2,-0.0 -1,-0.3 0.596 89.0 72.2 -69.1 -13.4 -4.0 37.5 21.3 5 4 A F < + 0 0 0 -3,-1.9 2,-0.3 193,-0.0 -3,-0.1 -0.943 65.2 175.0-106.5 120.2 -0.6 38.3 23.0 6 5 A Q - 0 0 121 -2,-0.6 2,-0.1 1,-0.1 195,-0.1 -0.741 45.8 -74.9-114.6 164.8 -0.8 40.4 26.1 7 6 A E - 0 0 91 -2,-0.3 2,-0.6 190,-0.1 -1,-0.1 -0.446 45.9-149.9 -60.5 133.0 1.9 41.4 28.5 8 7 A V - 0 0 9 -2,-0.1 189,-0.2 -3,-0.0 -1,-0.1 -0.940 10.9-138.0-107.8 119.7 2.8 38.4 30.7 9 8 A R - 0 0 194 -2,-0.6 2,-2.6 1,-0.1 47,-0.0 -0.377 30.9 -98.9 -75.1 155.3 4.0 39.3 34.2 10 9 A P S S+ 0 0 8 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.292 91.8 97.1 -77.8 58.6 7.0 37.4 35.7 11 10 A V S S- 0 0 68 -2,-2.6 217,-0.1 221,-0.0 218,-0.1 -0.908 87.3 -71.8-136.4 160.4 4.7 35.2 37.8 12 11 A A - 0 0 63 -2,-0.3 2,-0.6 216,-0.1 -3,-0.1 -0.282 45.0-142.7 -56.9 140.5 3.4 31.7 37.3 13 12 A Q > - 0 0 51 208,-0.2 3,-1.0 4,-0.1 212,-0.1 -0.933 14.4-128.2-113.4 118.7 0.7 31.4 34.7 14 13 A A T 3 S+ 0 0 83 -2,-0.6 211,-0.0 1,-0.2 0, 0.0 -0.273 87.1 28.8 -65.1 152.3 -2.2 29.0 35.3 15 14 A L T 3 S+ 0 0 168 1,-0.2 -1,-0.2 203,-0.0 203,-0.0 0.462 101.7 94.3 76.6 9.4 -3.2 26.4 32.7 16 15 A Y S < S- 0 0 71 -3,-1.0 -1,-0.2 205,-0.1 -3,-0.1 -0.943 78.6-101.3-126.9 150.7 0.3 26.1 31.3 17 16 A P - 0 0 39 0, 0.0 2,-0.4 0, 0.0 208,-0.3 -0.098 20.3-152.3 -71.5 164.7 3.0 23.6 32.3 18 17 A T - 0 0 73 207,-0.1 205,-0.1 208,-0.1 204,-0.1 -0.994 17.5-155.2-135.0 130.9 6.0 24.0 34.5 19 18 A H - 0 0 43 203,-0.5 3,-0.1 -2,-0.4 6,-0.0 -0.636 27.9-112.2-111.5 165.4 9.1 21.8 33.9 20 19 A P S S- 0 0 109 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.755 95.7 -2.4 -66.7 -25.2 12.0 20.6 36.1 21 20 A S S > S- 0 0 14 1,-0.1 4,-2.2 161,-0.0 5,-0.2 -0.984 71.6-104.3-158.7 162.6 14.5 22.8 34.2 22 21 A T H > S+ 0 0 2 -2,-0.3 4,-2.2 161,-0.2 5,-0.2 0.855 121.6 60.5 -65.2 -30.3 14.9 25.1 31.3 23 22 A K H > S+ 0 0 85 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.958 106.9 43.7 -53.3 -53.2 16.5 22.2 29.5 24 23 A D H > S+ 0 0 50 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.863 110.3 55.9 -61.3 -40.1 13.2 20.2 29.9 25 24 A A H X S+ 0 0 2 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.883 108.9 47.6 -63.6 -38.1 11.1 23.2 28.9 26 25 A L H X S+ 0 0 1 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.946 110.4 51.9 -66.8 -44.9 13.1 23.5 25.7 27 26 A E H X S+ 0 0 71 -4,-2.4 4,-1.4 1,-0.2 -2,-0.2 0.919 113.0 44.9 -53.5 -46.9 12.7 19.8 25.0 28 27 A E H X S+ 0 0 80 -4,-2.5 4,-1.2 1,-0.2 -1,-0.2 0.890 111.3 51.7 -72.1 -37.9 9.0 20.0 25.5 29 28 A A H X S+ 0 0 1 -4,-2.2 4,-1.9 1,-0.2 3,-0.3 0.896 106.9 55.2 -62.4 -36.8 8.6 23.1 23.4 30 29 A R H < S+ 0 0 45 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.824 103.2 55.4 -68.2 -31.0 10.6 21.4 20.6 31 30 A L H < S+ 0 0 124 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.840 110.9 44.5 -65.3 -33.3 8.0 18.5 20.6 32 31 A L H < S+ 0 0 38 -4,-1.2 -2,-0.2 -3,-0.3 -1,-0.2 0.798 127.2 30.8 -79.9 -29.1 5.3 21.0 20.1 33 32 A F S < S+ 0 0 21 -4,-1.9 -1,-0.2 -5,-0.1 -2,-0.1 -0.653 73.2 146.3-129.2 68.9 7.3 22.8 17.3 34 33 A P + 0 0 91 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 0.715 53.4 70.9 -82.9 -22.4 9.4 20.1 15.8 35 34 A G S S+ 0 0 51 -3,-0.1 -3,-0.0 2,-0.0 0, 0.0 -0.355 79.5 48.9 -89.8 173.4 9.5 21.4 12.2 36 35 A G S S- 0 0 55 -2,-0.1 172,-0.1 4,-0.0 171,-0.0 0.039 98.5 -47.6 69.8 165.4 11.4 24.5 11.2 37 36 A T > - 0 0 74 1,-0.1 4,-2.3 4,-0.0 5,-0.1 -0.211 31.5-127.9 -88.4 157.0 14.9 25.0 12.2 38 37 A H H > S+ 0 0 81 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.891 112.7 55.5 -58.9 -41.4 16.9 24.7 15.4 39 38 A H H > S+ 0 0 119 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.934 109.8 43.1 -56.4 -52.0 18.2 28.3 14.8 40 39 A D H > S+ 0 0 47 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.883 112.8 54.9 -64.4 -38.6 14.7 29.8 14.5 41 40 A F H X S+ 0 0 2 -4,-2.3 4,-2.8 1,-0.2 5,-0.3 0.948 111.5 42.6 -59.5 -50.1 13.6 27.7 17.5 42 41 A X H X S+ 0 0 19 -4,-2.8 4,-3.0 1,-0.2 5,-0.5 0.873 111.2 55.6 -67.7 -33.8 16.3 29.0 19.7 43 42 A R H X S+ 0 0 105 -4,-2.4 4,-1.5 -5,-0.2 -1,-0.2 0.932 113.1 42.6 -61.7 -41.4 15.8 32.6 18.5 44 43 A A H X S+ 0 0 3 -4,-2.3 4,-1.5 2,-0.2 -2,-0.2 0.952 122.0 37.7 -68.1 -51.9 12.2 32.4 19.5 45 44 A L H X S+ 0 0 4 -4,-2.8 4,-2.6 2,-0.2 -2,-0.2 0.916 119.9 44.6 -72.2 -42.8 12.7 30.7 22.9 46 45 A X H X S+ 0 0 2 -4,-3.0 4,-3.0 -5,-0.3 5,-0.2 0.815 108.2 58.5 -73.6 -29.3 15.9 32.5 23.9 47 46 A G H X S+ 0 0 1 -4,-1.5 4,-1.8 -5,-0.5 147,-0.5 0.912 109.9 44.9 -59.1 -40.3 14.5 35.8 22.8 48 47 A Y H X S+ 0 0 0 -4,-1.5 4,-2.8 2,-0.2 5,-0.3 0.950 112.6 51.8 -68.1 -47.7 11.7 35.0 25.3 49 48 A H H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 5,-0.2 0.936 111.4 45.8 -48.9 -57.5 14.3 34.0 27.9 50 49 A N H X S+ 0 0 5 -4,-3.0 4,-1.9 142,-0.3 -1,-0.2 0.873 113.4 50.0 -57.1 -43.6 16.3 37.1 27.6 51 50 A T H X S+ 0 0 1 -4,-1.8 4,-2.6 -5,-0.2 -1,-0.2 0.924 112.0 46.7 -62.5 -46.6 13.2 39.3 27.7 52 51 A L H X S+ 0 0 0 -4,-2.8 4,-2.7 1,-0.2 5,-0.2 0.894 110.4 52.8 -66.2 -39.4 11.8 37.7 30.8 53 52 A V H X S+ 0 0 2 -4,-2.7 4,-2.4 -5,-0.3 -1,-0.2 0.931 111.5 47.0 -61.9 -42.7 15.2 37.8 32.6 54 53 A K H X S+ 0 0 115 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.925 112.3 49.4 -64.9 -45.9 15.4 41.6 31.8 55 54 A V H X S+ 0 0 32 -4,-2.6 4,-1.3 1,-0.2 -2,-0.2 0.925 113.6 46.5 -57.3 -47.4 11.8 42.1 33.0 56 55 A X H < S+ 0 0 46 -4,-2.7 3,-0.2 1,-0.2 -2,-0.2 0.913 114.0 47.7 -61.2 -44.4 12.4 40.2 36.3 57 56 A E H < S+ 0 0 124 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.833 108.8 53.5 -66.2 -36.3 15.7 42.1 36.9 58 57 A E H < S+ 0 0 86 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.753 94.4 89.0 -77.4 -21.9 14.3 45.5 36.3 59 58 A Q < 0 0 103 -4,-1.3 -3,-0.0 -3,-0.2 0, 0.0 -0.138 360.0 360.0 -65.5 165.9 11.4 45.1 38.8 60 59 A C 0 0 180 0, 0.0 -2,-0.0 0, 0.0 -1,-0.0 -0.951 360.0 360.0-136.9 360.0 11.5 45.9 42.5 61 !* 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 62 0 B G 0 0 112 0, 0.0 2,-0.7 0, 0.0 81,-0.0 0.000 360.0 360.0 360.0 142.1 4.7 41.3 -13.9 63 1 B X > - 0 0 51 1,-0.1 3,-1.8 79,-0.1 83,-0.1 -0.923 360.0-162.2-108.4 106.0 6.1 42.5 -10.5 64 2 B S T 3 S+ 0 0 109 -2,-0.7 -1,-0.1 1,-0.3 0, 0.0 0.597 80.4 74.8 -76.3 -9.2 8.8 40.0 -9.6 65 3 B Q T 3 S+ 0 0 92 1,-0.1 2,-0.6 2,-0.0 -1,-0.3 0.641 88.4 74.8 -71.3 -12.6 8.9 40.8 -5.9 66 4 B F < + 0 0 2 -3,-1.8 2,-0.3 76,-0.0 -3,-0.1 -0.910 65.0 179.5-103.4 119.4 5.6 38.9 -5.7 67 5 B Q - 0 0 154 -2,-0.6 2,-0.2 1,-0.1 78,-0.1 -0.710 43.7 -80.9-105.2 163.9 5.8 35.2 -5.9 68 6 B E - 0 0 96 -2,-0.3 2,-0.6 73,-0.1 -1,-0.1 -0.503 47.2-143.0 -61.4 129.9 3.0 32.6 -5.7 69 7 B V - 0 0 10 -2,-0.2 72,-0.2 -3,-0.0 73,-0.1 -0.899 11.1-132.3-103.2 121.7 2.2 32.2 -2.0 70 8 B R - 0 0 167 -2,-0.6 2,-2.3 1,-0.1 46,-0.0 -0.408 27.8-106.0 -66.4 150.0 1.4 28.6 -1.0 71 9 B P S S+ 0 0 22 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.307 90.6 95.4 -77.6 56.2 -1.8 28.2 1.2 72 10 B V S S- 0 0 50 -2,-2.3 100,-0.1 138,-0.0 101,-0.1 -0.890 90.4 -70.2-135.8 163.5 0.3 27.5 4.3 73 11 B A - 0 0 32 -2,-0.3 2,-0.6 99,-0.1 137,-0.1 -0.353 46.2-141.8 -59.3 139.7 1.5 29.7 7.2 74 12 B Q > - 0 0 45 91,-0.2 3,-1.0 4,-0.2 95,-0.1 -0.907 14.7-131.6-111.8 115.1 4.2 32.2 6.1 75 13 B A T 3 S+ 0 0 45 -2,-0.6 132,-0.2 1,-0.2 131,-0.1 -0.235 86.1 32.7 -64.1 153.1 7.0 32.8 8.6 76 14 B L T 3 S+ 0 0 111 130,-3.2 -1,-0.2 1,-0.2 131,-0.1 0.443 102.1 91.5 78.3 8.0 8.1 36.4 9.4 77 15 B Y S < S- 0 0 55 -3,-1.0 -1,-0.2 129,-0.4 85,-0.1 -0.941 79.9-101.5-128.6 151.5 4.6 37.7 9.0 78 16 B P - 0 0 9 0, 0.0 2,-0.4 0, 0.0 91,-0.3 -0.102 19.8-151.2 -73.4 166.3 1.9 38.1 11.7 79 17 B T - 0 0 3 90,-0.1 88,-0.1 91,-0.1 87,-0.1 -0.992 18.0-155.2-132.5 136.0 -1.1 35.9 12.4 80 18 B H - 0 0 17 86,-0.5 -78,-0.1 -2,-0.4 3,-0.1 -0.688 28.2-109.8-115.6 167.0 -4.2 37.4 14.0 81 19 B P S S- 0 0 62 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.791 96.1 -8.0 -65.2 -29.0 -7.1 36.2 16.1 82 20 B S S > S- 0 0 13 1,-0.1 4,-2.3 44,-0.0 5,-0.2 -0.982 72.2 -99.9-158.4 164.5 -9.6 36.6 13.2 83 21 B T H > S+ 0 0 2 -2,-0.3 4,-2.1 44,-0.3 5,-0.2 0.847 122.1 60.9 -62.9 -29.5 -10.0 38.0 9.7 84 22 B K H > S+ 0 0 65 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.962 107.0 43.3 -53.6 -54.2 -11.6 41.0 11.4 85 23 B D H > S+ 0 0 28 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.873 110.1 56.2 -61.9 -40.3 -8.5 41.7 13.3 86 24 B A H X S+ 0 0 1 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.871 109.2 47.9 -60.2 -38.9 -6.3 41.1 10.2 87 25 B L H X S+ 0 0 1 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.934 110.3 51.4 -65.3 -45.7 -8.3 43.8 8.4 88 26 B E H X S+ 0 0 50 -4,-2.3 4,-1.4 1,-0.2 -2,-0.2 0.921 113.3 44.9 -55.9 -45.9 -8.0 46.2 11.3 89 27 B E H X S+ 0 0 49 -4,-2.6 4,-1.1 1,-0.2 -1,-0.2 0.885 111.8 51.2 -71.9 -36.9 -4.2 45.7 11.4 90 28 B A H X S+ 0 0 1 -4,-2.2 4,-1.8 -5,-0.2 3,-0.4 0.900 107.3 55.2 -63.3 -36.9 -3.8 46.0 7.6 91 29 B R H < S+ 0 0 52 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.835 102.5 55.7 -69.8 -29.9 -5.8 49.2 7.7 92 30 B L H < S+ 0 0 124 -4,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.824 110.3 46.0 -66.5 -30.6 -3.4 50.6 10.3 93 31 B L H < S+ 0 0 38 -4,-1.1 -2,-0.2 -3,-0.4 -1,-0.2 0.792 125.8 30.5 -80.7 -29.1 -0.6 49.9 7.8 94 32 B F S < S+ 0 0 23 -4,-1.8 -1,-0.2 1,-0.1 3,-0.2 -0.655 73.9 144.9-128.6 70.6 -2.6 51.4 4.8 95 33 B P + 0 0 88 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.701 60.8 62.8 -82.8 -21.1 -4.7 54.1 6.4 96 34 B G S S+ 0 0 77 -3,-0.1 3,-0.1 2,-0.1 -2,-0.0 0.715 82.4 86.1 -83.2 -24.1 -4.7 56.7 3.6 97 35 B G S S- 0 0 27 -3,-0.2 2,-0.1 1,-0.1 55,-0.1 -0.149 89.8 -88.7 -70.4 170.4 -6.4 54.8 0.8 98 36 B T > - 0 0 78 1,-0.1 4,-2.4 4,-0.0 5,-0.1 -0.478 30.3-119.8 -74.5 154.2 -10.2 54.7 0.4 99 37 B H H > S+ 0 0 90 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.878 114.5 55.7 -58.4 -40.6 -12.2 52.0 2.2 100 38 B H H > S+ 0 0 122 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.937 110.6 42.9 -58.0 -48.9 -13.4 50.8 -1.2 101 39 B D H > S+ 0 0 55 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.890 112.6 55.1 -65.8 -39.0 -9.9 50.3 -2.5 102 40 B F H X S+ 0 0 2 -4,-2.4 4,-2.7 1,-0.2 5,-0.2 0.948 111.8 41.7 -59.9 -49.3 -8.8 48.8 0.7 103 41 B X H X>S+ 0 0 20 -4,-2.7 4,-3.0 1,-0.2 5,-0.5 0.857 111.0 56.9 -69.2 -36.7 -11.5 46.1 0.7 104 42 B R H X5S+ 0 0 107 -4,-2.3 4,-1.5 -5,-0.3 -1,-0.2 0.934 112.7 42.1 -56.9 -43.3 -11.0 45.5 -3.0 105 43 B A H X5S+ 0 0 3 -4,-2.3 4,-1.5 2,-0.2 -2,-0.2 0.954 122.2 37.9 -67.2 -51.3 -7.3 44.7 -2.3 106 44 B L H X5S+ 0 0 4 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.904 119.5 44.7 -71.8 -45.3 -7.9 42.6 0.8 107 45 B X H X5S+ 0 0 2 -4,-3.0 4,-2.9 -5,-0.2 5,-0.2 0.819 107.8 59.4 -71.9 -29.2 -11.0 40.8 -0.3 108 46 B G H X - 0 0 52 -25,-0.2 3,-1.9 4,-0.1 -21,-0.1 -0.932 5.7-159.2-112.1 103.8 -17.4 37.1 -1.0 133 13 C A T 3 S+ 0 0 111 -2,-0.6 -1,-0.1 1,-0.3 4,-0.1 0.653 84.9 64.8 -64.3 -19.9 -19.5 37.9 -4.1 134 14 C L T 3 S+ 0 0 141 2,-0.1 -1,-0.3 -27,-0.0 -27,-0.0 0.690 101.5 58.2 -73.8 -17.4 -19.1 41.7 -3.8 135 15 C Y S < S- 0 0 52 -3,-1.9 -3,-0.1 -28,-0.1 -31,-0.1 -0.741 87.8 -96.8-120.5 159.5 -15.4 41.5 -4.4 136 16 C P - 0 0 25 0, 0.0 2,-0.4 0, 0.0 -25,-0.3 -0.189 24.3-147.6 -73.9 165.8 -13.1 40.2 -7.2 137 17 C T - 0 0 66 -26,-0.1 -28,-0.1 -25,-0.1 -29,-0.1 -0.995 11.2-156.7-131.0 139.2 -11.3 36.8 -7.4 138 18 C H - 0 0 28 -30,-0.5 -23,-0.1 -2,-0.4 3,-0.0 -0.725 25.4-117.8-117.0 163.2 -7.9 36.3 -9.1 139 19 C P S S+ 0 0 106 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.674 91.8 10.7 -79.3 -12.1 -6.4 33.2 -10.6 140 20 C S S > S- 0 0 21 1,-0.1 4,-2.1 -72,-0.0 5,-0.1 -0.978 73.8-110.8-159.4 157.3 -3.4 33.0 -8.2 141 21 C T H > S+ 0 0 0 -2,-0.3 4,-2.4 -72,-0.2 5,-0.2 0.834 118.4 57.1 -64.6 -34.4 -2.1 34.6 -5.0 142 22 C K H > S+ 0 0 54 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.946 107.7 47.7 -59.7 -47.4 0.6 36.3 -7.0 143 23 C D H > S+ 0 0 57 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.913 111.0 51.3 -59.2 -40.7 -2.0 37.9 -9.2 144 24 C A H X S+ 0 0 1 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.898 109.8 49.0 -66.2 -37.5 -4.0 39.0 -6.1 145 25 C L H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.920 111.4 50.1 -65.8 -41.9 -0.9 40.5 -4.5 146 26 C E H X S+ 0 0 30 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.926 110.4 49.6 -60.5 -46.0 -0.1 42.4 -7.8 147 27 C E H X S+ 0 0 88 -4,-2.6 4,-1.4 1,-0.2 -1,-0.2 0.896 111.6 49.3 -61.0 -40.0 -3.7 43.7 -7.9 148 28 C A H X S+ 0 0 0 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.868 109.2 51.7 -66.3 -37.2 -3.4 44.8 -4.3 149 29 C R H < S+ 0 0 29 -4,-2.3 -1,-0.2 2,-0.2 -2,-0.2 0.816 104.3 56.7 -72.5 -29.6 -0.1 46.6 -5.0 150 30 C L H < S+ 0 0 115 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.894 112.5 42.8 -60.3 -39.8 -1.7 48.5 -7.9 151 31 C L H < S+ 0 0 48 -4,-1.4 -2,-0.2 1,-0.3 -1,-0.2 0.821 126.9 31.5 -75.2 -31.2 -4.3 49.8 -5.4 152 32 C F < + 0 0 18 -4,-1.9 -1,-0.3 1,-0.1 -2,-0.1 -0.717 66.7 153.7-129.7 75.8 -1.7 50.5 -2.7 153 33 C P + 0 0 96 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.648 49.7 90.4 -82.0 -15.7 1.5 51.5 -4.5 154 34 C G + 0 0 45 -3,-0.1 6,-0.1 2,-0.0 -2,-0.0 -0.236 69.6 27.4 -78.3 166.0 2.8 53.6 -1.5 155 35 C G S S- 0 0 60 4,-0.1 2,-0.1 5,-0.0 -61,-0.0 0.049 95.7 -39.5 74.7 175.2 4.9 52.5 1.4 156 36 C T > - 0 0 77 1,-0.1 4,-2.4 4,-0.0 5,-0.2 -0.321 41.9-124.4 -75.8 154.1 7.4 49.8 1.8 157 37 C H H > S+ 0 0 72 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.921 114.1 58.5 -56.6 -40.1 7.3 46.3 0.4 158 38 C H H > S+ 0 0 124 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.926 107.9 43.2 -57.5 -47.2 7.8 45.2 4.0 159 39 C D H > S+ 0 0 53 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.900 112.7 53.3 -68.9 -38.2 4.6 47.0 5.3 160 40 C F H X S+ 0 0 1 -4,-2.4 4,-2.8 1,-0.2 5,-0.2 0.936 113.0 43.6 -60.2 -48.1 2.6 45.9 2.3 161 41 C X H X>S+ 0 0 17 -4,-2.8 4,-2.9 2,-0.2 5,-0.6 0.872 107.8 58.2 -67.2 -37.7 3.5 42.3 2.9 162 42 C R H X5S+ 0 0 93 -4,-2.5 4,-1.2 -5,-0.3 -1,-0.2 0.926 113.0 42.1 -54.6 -43.6 3.0 42.6 6.7 163 43 C A H X5S+ 0 0 4 -4,-2.1 4,-1.4 2,-0.2 -2,-0.2 0.954 121.7 37.2 -66.7 -54.4 -0.6 43.6 5.8 164 44 C L H X5S+ 0 0 4 -4,-2.8 4,-2.7 2,-0.2 -3,-0.2 0.916 120.4 45.4 -72.0 -42.9 -1.4 41.1 3.1 165 45 C X H X5S+ 0 0 1 -4,-2.9 4,-3.2 -5,-0.2 5,-0.3 0.823 107.2 59.5 -73.2 -28.1 0.5 38.2 4.6 166 46 C G H X< S+ 0 0 43 -4,-1.7 3,-1.0 2,-0.2 -1,-0.2 0.911 107.6 59.9 -68.1 -41.0 -9.0 29.3 10.1 175 55 C X H 3< S+ 0 0 49 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.935 116.1 32.3 -51.6 -53.7 -9.5 27.4 6.8 176 56 C E H 3< 0 0 125 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.362 360.0 360.0 -90.2 3.0 -7.8 24.3 8.2 177 57 C E << 0 0 190 -3,-1.0 -1,-0.2 -4,-0.6 -2,-0.2 0.739 360.0 360.0 -63.5 360.0 -9.0 24.8 11.9 178 !* 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 0.0 179 3 D Q 0 0 182 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -65.8 20.7 18.7 22.2 180 4 D F - 0 0 11 3,-0.0 2,-0.3 -157,-0.0 -157,-0.1 -0.903 360.0-161.4-118.3 155.9 19.7 21.2 24.8 181 5 D Q - 0 0 161 -2,-0.3 2,-0.2 -159,-0.1 -155,-0.1 -0.871 38.7 -81.9-126.7 163.1 21.4 22.2 28.1 182 6 D E - 0 0 121 -2,-0.3 2,-0.5 -160,-0.1 -161,-0.0 -0.475 42.1-149.3 -66.6 132.6 20.1 24.0 31.2 183 7 D V - 0 0 17 -2,-0.2 -161,-0.2 5,-0.0 -160,-0.1 -0.940 13.4-131.9-103.0 126.6 20.1 27.8 30.6 184 8 D R - 0 0 159 -2,-0.5 2,-2.7 1,-0.1 43,-0.0 -0.405 31.3 -97.8 -75.3 158.8 20.6 29.9 33.8 185 9 D P S S+ 0 0 22 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.301 92.6 100.2 -77.9 56.9 18.3 32.8 34.5 186 10 D V S S- 0 0 55 -2,-2.7 -133,-0.1 1,-0.0 -132,-0.1 -0.897 84.8 -74.7-134.7 162.1 20.9 35.3 33.1 187 11 D A - 0 0 72 -2,-0.3 2,-0.6 -134,-0.1 -3,-0.1 -0.333 36.5-145.4 -60.4 140.5 21.2 37.1 29.7 188 12 D Q > - 0 0 50 -142,-0.2 3,-2.0 4,-0.1 -138,-0.1 -0.925 5.7-159.1-111.0 107.0 22.3 35.0 26.8 189 13 D A T 3 S+ 0 0 110 -2,-0.6 -1,-0.1 1,-0.3 4,-0.1 0.664 85.3 63.6 -67.9 -19.4 24.5 37.2 24.5 190 14 D L T 3 S+ 0 0 143 2,-0.1 -1,-0.3 -144,-0.0 -144,-0.0 0.696 101.7 61.1 -72.0 -17.9 24.1 35.1 21.4 191 15 D Y S < S- 0 0 51 -3,-2.0 -3,-0.1 -145,-0.1 -148,-0.1 -0.735 86.9 -98.4-119.6 157.3 20.3 35.8 21.4 192 16 D P - 0 0 26 0, 0.0 2,-0.4 0, 0.0 -142,-0.3 -0.186 24.1-147.8 -73.3 164.7 18.0 38.8 21.1 193 17 D T - 0 0 67 -143,-0.1 -145,-0.1 -142,-0.1 -146,-0.1 -0.996 11.0-156.1-128.8 139.0 16.3 40.7 23.8 194 18 D H - 0 0 29 -147,-0.5 -140,-0.1 -2,-0.4 6,-0.0 -0.725 25.6-117.2-116.4 162.0 12.9 42.4 23.5 195 19 D P S S+ 0 0 99 0, 0.0 2,-0.3 0, 0.0 3,-0.1 0.684 91.7 7.4 -74.8 -17.2 11.3 45.3 25.4 196 20 D S S > S- 0 0 22 1,-0.1 4,-2.1 -189,-0.0 5,-0.1 -0.975 73.7-108.5-157.3 161.0 8.4 43.3 26.8 197 21 D T H > S+ 0 0 0 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.846 119.0 58.1 -68.7 -29.9 7.1 39.8 27.1 198 22 D K H > S+ 0 0 48 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.941 107.7 46.7 -60.0 -47.6 4.3 40.8 24.6 199 23 D D H > S+ 0 0 56 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.901 110.9 51.7 -61.4 -41.7 7.0 41.8 22.1 200 24 D A H X S+ 0 0 1 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.883 110.1 49.2 -64.8 -36.0 8.9 38.5 22.7 201 25 D L H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.920 111.2 49.7 -66.3 -43.3 5.7 36.5 22.1 202 26 D E H X S+ 0 0 26 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.937 111.3 48.9 -59.9 -46.4 5.0 38.4 18.9 203 27 D E H X S+ 0 0 85 -4,-2.6 4,-1.3 1,-0.2 -1,-0.2 0.885 111.8 49.8 -63.8 -38.8 8.6 37.8 17.7 204 28 D A H X S+ 0 0 1 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.867 109.4 51.0 -65.8 -37.3 8.3 34.1 18.5 205 29 D R H < S+ 0 0 4 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.828 104.6 57.1 -72.9 -29.6 5.0 33.8 16.6 206 30 D L H < S+ 0 0 36 -4,-2.0 -130,-3.2 1,-0.2 -129,-0.4 0.881 112.1 42.6 -62.3 -36.7 6.6 35.4 13.6 207 31 D L H < S+ 0 0 26 -4,-1.3 -2,-0.2 1,-0.3 -1,-0.2 0.802 127.4 31.4 -79.1 -29.6 9.2 32.6 13.7 208 32 D F < + 0 0 19 -4,-1.8 -1,-0.3 1,-0.1 -2,-0.1 -0.706 66.7 153.5-129.5 75.3 6.6 29.9 14.4 209 33 D P + 0 0 11 0, 0.0 -1,-0.1 0, 0.0 -135,-0.1 0.633 49.5 90.2 -81.1 -16.4 3.3 31.0 12.7 210 34 D G + 0 0 29 -137,-0.1 6,-0.1 -3,-0.1 -2,-0.0 -0.260 69.3 27.6 -76.3 165.8 2.0 27.4 12.3 211 35 D G S S- 0 0 41 4,-0.1 2,-0.1 -2,-0.1 -178,-0.0 0.054 95.8 -39.1 73.7 178.9 -0.1 25.3 14.6 212 36 D T > - 0 0 71 1,-0.1 4,-2.3 4,-0.0 5,-0.2 -0.330 41.9-124.1 -78.6 156.3 -2.6 26.4 17.2 213 37 D H H > S+ 0 0 69 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.913 113.6 58.0 -59.6 -40.8 -2.4 29.3 19.6 214 38 D H H > S+ 0 0 117 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.925 108.1 43.6 -58.1 -47.1 -2.9 26.7 22.4 215 39 D D H > S+ 0 0 53 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.904 112.6 53.3 -67.0 -40.2 0.2 24.7 21.4 216 40 D F H X S+ 0 0 2 -4,-2.3 4,-2.8 1,-0.2 5,-0.2 0.947 112.9 43.6 -58.6 -48.1 2.2 27.9 20.9 217 41 D X H X>S+ 0 0 17 -4,-2.9 4,-3.0 1,-0.2 5,-0.6 0.876 108.6 57.3 -67.4 -36.6 1.3 29.1 24.4 218 42 D R H X5S+ 0 0 115 -4,-2.5 4,-1.3 -5,-0.3 -1,-0.2 0.929 113.2 42.3 -58.1 -43.7 1.9 25.7 25.9 219 43 D A H X5S+ 0 0 4 -4,-2.3 4,-1.5 2,-0.2 -2,-0.2 0.963 122.1 36.6 -64.7 -54.4 5.4 25.9 24.5 220 44 D L H X5S+ 0 0 4 -4,-2.8 4,-2.6 2,-0.2 -3,-0.2 0.918 120.8 45.1 -72.1 -44.2 6.2 29.5 25.4 221 45 D X H X5S+ 0 0 0 -4,-3.0 4,-3.1 -5,-0.2 5,-0.2 0.816 107.1 59.8 -70.7 -27.8 4.3 29.6 28.7 222 46 D G H X< S+ 0 0 63 -4,-1.7 3,-0.6 1,-0.2 -1,-0.2 0.936 115.7 45.7 -61.2 -45.6 13.9 29.2 39.1 231 55 D X H 3< S+ 0 0 41 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.853 104.2 62.2 -67.0 -35.3 14.2 33.0 39.4 232 56 D E H 3< 0 0 119 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.681 360.0 360.0 -69.7 -20.6 11.6 33.3 42.3 233 57 D E << 0 0 125 -4,-0.8 -1,-0.2 -3,-0.6 0, 0.0 -0.825 360.0 360.0-179.8 360.0 13.6 31.2 44.8