==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE(CARBON-CARBON) 10-OCT-91 1RUS . COMPND 2 MOLECULE: RUBISCO (RIBULOSE-1,5-BISPHOSPHATE . SOURCE 2 ORGANISM_SCIENTIFIC: RHODOSPIRILLUM RUBRUM; . AUTHOR T.LUNDQVIST,G.SCHNEIDER . 872 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 30310.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 577 66.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 80 9.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 61 7.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.5 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 . 3 0.3 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 . 2 0.2 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 . 50 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 80 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 267 30.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 1.7 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 7 1 0 6 4 3 2 4 3 0 0 1 0 2 0 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 4 6 8 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 . 3 0 2 1 2 0 2 1 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 . 2 0 0 1 1 0 0 2 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 3 A Q > 0 0 128 0, 0.0 3,-4.6 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0-173.4 39.9 -17.2 4.5 2 4 A S T 3> + 0 0 55 1,-0.3 4,-1.1 2,-0.2 36,-0.0 0.136 360.0 30.9 17.4 -91.8 36.6 -18.9 4.8 3 5 A S T 34 S+ 0 0 124 1,-0.2 -1,-0.3 2,-0.2 0, 0.0 0.711 123.7 53.7 -54.5 -22.8 37.6 -22.5 5.8 4 6 A R T <4 S+ 0 0 83 -3,-4.6 -2,-0.2 1,-0.1 -1,-0.2 0.970 120.2 22.9 -79.4 -59.4 40.6 -21.1 7.7 5 7 A Y T 4 S+ 0 0 2 54,-0.1 2,-0.4 52,-0.0 55,-0.2 0.145 109.5 75.9 -97.5 21.1 39.1 -18.4 10.0 6 8 A V < + 0 0 30 -4,-1.1 55,-0.2 53,-0.2 53,-0.1 -0.982 40.7 164.0-129.4 116.1 35.5 -19.7 10.3 7 9 A N > + 0 0 74 53,-2.8 3,-1.6 -2,-0.4 2,-0.1 -0.559 4.2 170.5-133.9 65.0 34.6 -22.7 12.6 8 10 A L T 3 + 0 0 80 1,-0.3 53,-0.1 52,-0.1 55,-0.1 0.339 68.5 70.6 -58.4 4.1 30.8 -22.4 13.1 9 11 A A T 3 S+ 0 0 91 -2,-0.1 2,-0.5 2,-0.1 -1,-0.3 0.211 73.6 115.3-107.0 11.0 30.5 -25.9 14.7 10 12 A L < - 0 0 44 -3,-1.6 2,-0.6 51,-0.2 -3,-0.1 -0.710 65.3-136.1 -85.7 127.0 32.3 -24.6 17.8 11 13 A K >> - 0 0 118 -2,-0.5 3,-2.2 1,-0.2 4,-1.4 -0.775 7.9-143.0 -80.3 117.8 30.3 -24.6 21.0 12 14 A E H 3> S+ 0 0 36 -2,-0.6 4,-2.1 1,-0.3 5,-0.2 0.800 101.4 61.9 -50.2 -27.5 30.9 -21.2 22.7 13 15 A E H 3> S+ 0 0 114 2,-0.2 4,-1.1 1,-0.2 -1,-0.3 0.737 100.4 49.9 -67.4 -28.5 30.7 -23.3 26.0 14 16 A D H <> S+ 0 0 105 -3,-2.2 4,-1.4 2,-0.2 -1,-0.2 0.852 110.0 51.0 -77.1 -45.4 33.7 -25.4 25.1 15 17 A L H X>S+ 0 0 16 -4,-1.4 4,-2.1 2,-0.2 6,-0.6 0.893 111.6 46.7 -60.7 -46.9 35.8 -22.4 24.3 16 18 A I H <5S+ 0 0 54 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.856 117.8 42.8 -62.2 -42.0 34.9 -20.8 27.6 17 19 A A H <5S+ 0 0 81 -4,-1.1 -2,-0.2 -5,-0.2 -1,-0.2 0.600 107.3 61.7 -75.1 -24.8 35.7 -24.1 29.4 18 20 A G H <5S- 0 0 59 -4,-1.4 -2,-0.2 3,-0.1 -3,-0.2 0.972 87.7-158.6 -70.7 -58.2 38.8 -24.6 27.3 19 21 A G T <5 + 0 0 20 -4,-2.1 101,-0.4 2,-0.2 102,-0.2 0.676 64.1 99.5 85.9 25.0 40.2 -21.4 28.7 20 22 A E < + 0 0 124 -5,-0.6 56,-2.5 100,-0.1 2,-0.4 0.417 69.7 71.2-118.4 -2.2 42.6 -20.8 25.9 21 23 A H E -A 75 0A 33 -6,-0.6 2,-0.3 54,-0.3 -2,-0.2 -0.949 61.0-150.9-124.5 141.0 40.5 -18.3 24.0 22 24 A V E -A 74 0A 0 52,-2.6 52,-2.0 -2,-0.4 2,-0.4 -0.761 29.6-151.8 -90.7 138.1 39.5 -14.6 24.5 23 25 A L E -AB 73 116A 0 93,-1.5 93,-2.9 -2,-0.3 2,-0.3 -0.965 10.6-165.2-121.9 144.1 36.1 -14.2 22.7 24 26 A C E -AB 72 115A 0 48,-2.3 48,-1.6 -2,-0.4 2,-0.5 -0.940 8.7-152.5-130.5 145.0 34.8 -10.9 21.3 25 27 A A E +AB 71 114A 0 89,-2.1 88,-3.8 -2,-0.3 89,-1.0 -0.991 21.2 175.1-119.2 125.5 31.4 -9.9 20.1 26 28 A Y E -AB 70 112A 0 44,-2.5 44,-1.8 -2,-0.5 2,-0.5 -0.930 32.4-143.9-133.4 158.3 31.0 -7.2 17.4 27 29 A I E +A 69 0A 32 84,-2.3 84,-0.4 -2,-0.3 2,-0.3 -0.851 43.6 157.9-125.0 78.5 28.2 -5.6 15.4 28 30 A M - 0 0 2 40,-0.9 82,-0.3 -2,-0.5 -2,-0.1 -0.848 29.9-149.9-107.5 144.8 29.9 -5.1 12.1 29 31 A K - 0 0 68 80,-2.2 79,-2.5 -2,-0.3 80,-0.5 -0.989 18.8-125.9-125.8 126.2 28.3 -4.7 8.6 30 32 A P - 0 0 18 0, 0.0 3,-0.3 0, 0.0 77,-0.3 -0.478 39.6 -99.1 -72.0 137.8 30.0 -5.9 5.5 31 33 A K > - 0 0 67 75,-0.5 3,-1.6 1,-0.2 2,-0.1 0.012 68.2 -49.3 -51.1 162.7 30.2 -3.2 2.9 32 34 A A T 3 S- 0 0 95 1,-0.3 -1,-0.2 -3,-0.1 75,-0.0 -0.119 124.5 -8.1 -47.7 102.8 27.7 -3.1 0.1 33 35 A G T 3 S+ 0 0 82 -3,-0.3 -1,-0.3 1,-0.3 3,-0.1 0.032 90.3 136.1 98.1 -21.4 27.4 -6.5 -1.3 34 36 A Y < - 0 0 123 -3,-1.6 -1,-0.3 1,-0.1 72,-0.0 -0.283 64.3 -92.8 -62.2 139.3 30.2 -8.5 0.3 35 37 A G > - 0 0 43 1,-0.1 4,-1.9 2,-0.1 5,-0.2 -0.141 30.4-137.2 -48.8 146.8 29.6 -12.1 1.6 36 38 A Y H > S+ 0 0 36 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.979 102.5 31.9 -78.2 -56.3 28.6 -12.2 5.3 37 39 A V H > S+ 0 0 35 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.692 117.1 59.8 -73.6 -18.9 30.7 -15.1 6.5 38 40 A A H >> S+ 0 0 36 2,-0.2 4,-1.9 1,-0.1 3,-1.8 0.994 106.7 45.2 -71.7 -52.4 33.4 -14.2 3.9 39 41 A T H 3X S+ 0 0 3 -4,-1.9 4,-3.5 1,-0.3 5,-0.3 0.917 110.2 53.4 -54.0 -45.1 33.9 -10.7 5.4 40 42 A A H 3X S+ 0 0 0 -4,-1.6 4,-0.8 2,-0.3 -1,-0.3 0.692 106.8 52.5 -64.8 -15.2 34.0 -12.0 9.0 41 43 A A H S+ 0 0 11 -4,-2.6 5,-2.6 2,-0.2 -2,-0.2 0.846 109.2 50.0 -61.4 -41.6 42.3 -12.8 9.6 46 48 A E H <5S+ 0 0 63 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.824 114.6 46.6 -66.8 -31.9 43.3 -9.2 9.6 47 49 A S H <5S+ 0 0 3 -4,-0.9 -2,-0.2 -5,-0.3 -1,-0.2 0.832 126.5 30.3 -71.8 -37.9 42.9 -9.3 13.4 48 50 A S T <5S- 0 0 0 -4,-1.8 -3,-0.2 10,-0.1 -2,-0.1 0.819 127.1 -27.0 -88.2-108.0 44.8 -12.6 13.5 49 51 A T T 5 - 0 0 6 1,-0.2 2,-0.3 546,-0.2 547,-0.2 0.416 53.7-167.4-110.2 6.8 47.6 -13.7 11.2 50 52 A G < 0 0 13 -5,-2.6 -1,-0.2 544,-0.2 -4,-0.1 -0.190 360.0 360.0 53.8-115.4 47.3 -12.1 7.6 51 53 A T 0 0 113 -2,-0.3 544,-0.4 -6,-0.0 545,-0.0 -0.575 360.0 360.0 150.1 360.0 49.7 -14.2 5.4 52 ! 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 53 64 A T 0 0 111 0, 0.0 2,-1.4 0, 0.0 544,-0.0 0.000 360.0 360.0 360.0 5.2 46.8 -22.3 12.3 54 65 A R - 0 0 167 1,-0.2 543,-0.0 543,-0.0 0, 0.0 -0.088 360.0 -63.3 -74.7 39.3 48.3 -23.8 15.4 55 66 A G S S+ 0 0 33 -2,-1.4 22,-0.3 20,-0.0 -1,-0.2 0.965 124.7 105.7 72.9 48.5 45.7 -22.1 17.5 56 67 A V + 0 0 5 21,-0.1 2,-0.2 20,-0.1 540,-0.1 0.235 57.7 95.5-125.8 -18.0 47.3 -18.8 16.2 57 68 A D S S- 0 0 10 -9,-0.1 2,-0.8 17,-0.1 -12,-0.1 -0.532 76.7-133.7 -74.1 137.4 44.3 -18.4 14.0 58 69 A A - 0 0 0 -2,-0.2 16,-0.2 -14,-0.2 -10,-0.1 -0.867 30.3-155.0 -96.6 102.2 41.3 -16.3 15.2 59 70 A L E -C 73 0A 30 14,-1.1 14,-2.3 -2,-0.8 2,-0.6 -0.402 16.0-133.2 -82.8 157.0 38.3 -18.4 14.5 60 71 A V E +C 72 0A 0 12,-0.3 -53,-2.8 -55,-0.2 12,-0.2 -0.997 26.3 176.2-110.7 101.8 34.7 -17.2 13.9 61 72 A Y E + 0 0 4 10,-0.9 2,-0.3 -2,-0.6 -51,-0.2 0.423 64.8 16.5 -89.4 -9.6 32.7 -19.5 16.1 62 73 A E E +C 71 0A 68 9,-1.2 9,-2.4 -51,-0.1 2,-0.3 -0.963 52.7 176.7-171.8 145.2 29.4 -17.6 15.3 63 74 A V E -C 70 0A 16 -2,-0.3 7,-0.2 7,-0.2 2,-0.1 -0.970 13.3-162.6-145.6 148.6 27.7 -15.2 13.0 64 75 A D E >> -C 69 0A 44 5,-0.5 4,-1.9 -2,-0.3 5,-1.4 -0.677 9.9-164.4-142.5 75.7 24.1 -14.0 12.9 65 76 A E T 45S+ 0 0 130 1,-0.2 -1,-0.1 3,-0.2 3,-0.1 0.728 84.9 47.2 -27.2 -52.8 23.9 -12.6 9.5 66 77 A A T 45S+ 0 0 89 1,-0.2 -1,-0.2 2,-0.1 -2,-0.0 0.913 116.5 37.9 -60.0 -58.3 20.6 -10.7 10.5 67 78 A R T 45S- 0 0 136 -3,-0.5 -1,-0.2 2,-0.1 -2,-0.2 0.599 110.7-121.9 -75.0 -15.1 21.5 -9.1 13.7 68 79 A E T <5 + 0 0 49 -4,-1.9 -40,-0.9 1,-0.2 2,-0.7 0.802 56.0 162.0 70.5 37.1 25.0 -8.5 12.2 69 80 A L E < +AC 27 64A 2 -5,-1.4 -5,-0.5 -42,-0.2 2,-0.4 -0.797 17.4 174.6-103.9 112.7 26.5 -10.5 15.0 70 81 A T E -AC 26 63A 2 -44,-1.8 -44,-2.5 -2,-0.7 2,-0.4 -0.929 8.2-170.1-115.2 129.0 30.0 -11.9 14.7 71 82 A K E -AC 25 62A 5 -9,-2.4 -9,-1.2 -2,-0.4 -10,-0.9 -0.987 8.0-170.8-121.5 130.8 31.8 -13.6 17.6 72 83 A I E -AC 24 60A 0 -48,-1.6 -48,-2.3 -2,-0.4 2,-0.5 -0.953 14.7-146.1-128.0 137.6 35.5 -14.4 17.2 73 84 A A E -AC 23 59A 0 -14,-2.3 -14,-1.1 -2,-0.3 -50,-0.2 -0.931 13.9-166.8-110.1 123.7 37.8 -16.6 19.5 74 85 A Y E -A 22 0A 0 -52,-2.0 -52,-2.6 -2,-0.5 -16,-0.1 -0.964 24.9-122.1-113.6 109.3 41.4 -15.3 19.8 75 86 A P E > -A 21 0A 1 0, 0.0 3,-0.8 0, 0.0 -54,-0.3 -0.378 21.2-121.4 -53.3 152.6 43.8 -17.8 21.3 76 87 A V G > S+ 0 0 18 -56,-2.5 3,-0.6 1,-0.2 -55,-0.1 0.572 105.0 71.3 -73.4 -18.0 45.5 -16.4 24.4 77 88 A A G 3 S+ 0 0 23 -57,-0.3 551,-0.3 -22,-0.3 -1,-0.2 0.666 84.9 68.9 -71.4 -17.2 49.0 -16.9 22.8 78 89 A L G < S+ 0 0 0 -3,-0.8 -1,-0.2 548,-0.1 2,-0.2 0.835 81.3 92.6 -61.7 -44.2 48.5 -14.1 20.3 79 90 A F S < S- 0 0 0 -3,-0.6 544,-0.0 -4,-0.3 545,-0.0 -0.364 79.3-120.8 -63.7 120.3 48.5 -11.4 23.1 80 91 A D - 0 0 3 -2,-0.2 9,-0.6 546,-0.1 2,-0.3 -0.236 28.1-164.1 -62.5 155.6 51.8 -9.7 23.9 81 92 A R B -E 88 0B 47 544,-0.3 7,-0.3 7,-0.2 544,-0.2 -0.927 30.3 -84.3-137.9 151.4 53.1 -9.9 27.5 82 93 A N - 0 0 6 5,-2.8 4,-0.4 -2,-0.3 585,-0.0 -0.366 20.1-149.6 -62.9 140.1 55.8 -7.9 29.3 83 94 A I S S+ 0 0 33 583,-0.2 -1,-0.1 1,-0.2 583,-0.0 0.744 100.2 38.8 -78.2 -29.4 59.4 -8.8 28.9 84 95 A T S S+ 0 0 76 3,-0.1 -1,-0.2 582,-0.0 582,-0.0 0.861 127.9 22.3 -83.8 -52.6 60.0 -7.5 32.4 85 96 A D S S- 0 0 60 2,-0.1 -2,-0.1 3,-0.0 3,-0.1 0.951 87.8-122.7 -86.3 -64.7 57.0 -8.5 34.5 86 97 A G + 0 0 37 -4,-0.4 2,-0.1 1,-0.3 -3,-0.1 -0.099 68.5 139.4 129.2 -15.8 55.4 -11.4 32.8 87 98 A K - 0 0 77 -6,-0.1 -5,-2.8 1,-0.1 -1,-0.3 -0.178 52.9-123.3 -65.9 134.2 52.3 -9.3 32.7 88 99 A A B -E 81 0B 8 36,-1.2 2,-0.3 -7,-0.3 -7,-0.2 -0.098 26.2-143.0 -66.0 169.4 49.7 -8.9 30.0 89 100 A M > - 0 0 2 -9,-0.6 4,-1.5 1,-0.1 -9,-0.1 -0.995 20.4-140.8-148.4 146.5 48.8 -5.4 28.5 90 101 A I H > S+ 0 0 2 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.787 102.3 68.3 -75.3 -31.7 45.7 -3.6 27.3 91 102 A A H > S+ 0 0 0 2,-0.2 4,-1.9 3,-0.1 -1,-0.2 0.889 104.1 41.5 -58.2 -46.1 47.8 -2.1 24.5 92 103 A S H >> S+ 0 0 5 2,-0.2 4,-2.2 1,-0.2 3,-0.7 0.999 111.8 57.3 -59.7 -66.9 48.2 -5.6 22.8 93 104 A F H 3X S+ 0 0 1 -4,-1.5 4,-1.9 1,-0.3 5,-0.3 0.769 112.0 38.9 -33.1 -58.6 44.5 -6.4 23.5 94 105 A L H 3X S+ 0 0 19 -4,-2.3 4,-2.9 3,-0.2 -1,-0.3 0.901 112.0 59.4 -67.7 -40.1 43.1 -3.4 21.6 95 106 A T H < S- 0 0 0 -4,-0.9 3,-1.2 -3,-0.4 2,-0.3 0.687 94.2 -30.7 -75.9-128.0 43.4 -2.2 16.0 100 111 A N T 3 S+ 0 0 54 -5,-0.3 -1,-0.1 1,-0.2 -5,-0.1 -0.006 120.1 89.2 -95.8 45.4 43.4 -1.3 12.3 101 112 A N T 3 S+ 0 0 4 -2,-0.3 3,-0.5 2,-0.1 -1,-0.2 0.371 81.8 65.6 -97.0 -13.1 40.7 -3.9 11.7 102 113 A Q S < S+ 0 0 16 -3,-1.2 -2,-0.2 1,-0.2 8,-0.1 0.616 98.6 52.5 -81.5 -9.5 38.8 -0.7 12.5 103 114 A G S S+ 0 0 37 6,-0.1 -1,-0.2 620,-0.0 -2,-0.1 0.472 79.0 133.9-111.7 -3.6 40.2 0.7 9.2 104 115 A M - 0 0 29 -3,-0.5 3,-0.2 1,-0.1 -3,-0.1 0.226 50.4-141.7 -48.4 167.1 39.2 -2.0 6.6 105 116 A G S S+ 0 0 56 1,-0.1 -1,-0.1 -74,-0.0 3,-0.1 0.283 92.8 57.5-117.2 4.3 37.7 -1.3 3.4 106 117 A D S S+ 0 0 19 1,-0.1 -75,-0.5 -67,-0.1 2,-0.3 -0.108 93.9 76.9-130.2 38.9 35.3 -4.1 3.1 107 118 A V - 0 0 11 -77,-0.3 3,-0.1 1,-0.2 -1,-0.1 -0.927 62.9-153.8-152.0 117.8 33.4 -3.4 6.3 108 119 A E S S- 0 0 50 -79,-2.5 2,-0.3 -2,-0.3 -1,-0.2 0.988 78.6 -27.9 -50.3 -76.0 30.9 -0.6 6.7 109 120 A Y - 0 0 21 -80,-0.5 -80,-2.2 2,-0.0 2,-0.3 -0.930 57.7-162.0-140.7 158.1 31.4 -0.3 10.4 110 121 A A + 0 0 3 179,-0.3 181,-1.4 -2,-0.3 2,-0.4 -0.947 9.0 179.4-151.2 124.5 32.4 -2.6 13.2 111 122 A K E - d 0 291A 3 -84,-0.4 -84,-2.3 -2,-0.3 2,-0.3 -0.999 24.8-132.2-130.6 128.7 31.9 -2.2 17.0 112 123 A M E +Bd 26 292A 0 179,-3.1 181,-0.8 -2,-0.4 -86,-0.3 -0.604 22.6 179.1 -80.7 129.7 32.9 -4.5 19.8 113 124 A H E - 0 0 32 -88,-3.8 2,-0.3 1,-0.4 -87,-0.2 0.710 60.8 -10.8-108.3 -19.8 30.1 -5.1 22.3 114 125 A D E -B 25 0A 0 -89,-1.0 -89,-2.1 219,-0.1 -1,-0.4 -0.889 55.5-156.6-170.5 167.1 31.6 -7.5 24.8 115 126 A F E -B 24 0A 1 -2,-0.3 2,-0.5 -91,-0.2 -91,-0.2 -0.977 11.0-139.8-155.7 139.0 34.6 -9.7 25.5 116 127 A Y E -B 23 0A 23 -93,-2.9 -93,-1.5 -2,-0.3 221,-0.1 -0.905 12.5-166.5-112.4 132.0 35.6 -12.8 27.6 117 128 A V - 0 0 1 -2,-0.5 221,-0.3 -95,-0.2 -95,-0.1 -0.946 14.3-145.4-112.8 117.2 38.9 -13.1 29.4 118 129 A P > - 0 0 0 0, 0.0 4,-4.5 0, 0.0 3,-0.3 -0.310 28.4-100.2 -79.5 162.9 39.9 -16.6 30.7 119 130 A E H > S+ 0 0 137 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.828 118.2 52.9 -53.5 -44.8 41.9 -17.2 33.9 120 131 A A H 4 S+ 0 0 51 -101,-0.4 -1,-0.2 2,-0.2 4,-0.1 0.897 123.5 31.4 -58.5 -46.1 45.3 -17.9 32.4 121 132 A Y H >4 S+ 0 0 2 -3,-0.3 3,-2.4 -102,-0.2 4,-0.4 0.974 116.5 55.7 -80.2 -63.7 45.0 -14.6 30.6 122 133 A R H >< S+ 0 0 28 -4,-4.5 3,-1.1 1,-0.3 -3,-0.2 0.761 103.3 57.6 -40.4 -46.1 42.9 -12.7 33.1 123 134 A A T 3< S+ 0 0 53 -4,-1.9 -1,-0.3 -5,-0.3 -2,-0.1 0.556 92.5 66.0 -62.1 -17.0 45.4 -13.2 35.9 124 135 A L T < S+ 0 0 42 -3,-2.4 -36,-1.2 -5,-0.1 -1,-0.2 0.555 86.6 91.4 -87.9 -7.2 48.4 -11.7 34.0 125 136 A F S < S- 0 0 15 -3,-1.1 179,-0.1 -4,-0.4 -36,-0.1 -0.428 82.7-120.4 -82.9 158.7 46.7 -8.2 34.2 126 137 A D - 0 0 50 177,-0.7 178,-0.2 -2,-0.1 179,-0.1 0.964 37.8-168.9 -64.2 -62.9 47.2 -5.7 37.0 127 138 A G - 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R 0 507E 52 5,-1.0 5,-4.7 -2,-0.3 4,-0.5 -0.784 6.3-174.0-165.4 103.6 28.5 29.7 9.3 503 76 B E T 45S+ 0 0 121 -2,-0.3 5,-0.1 3,-0.3 -35,-0.0 0.663 84.6 58.2 -75.3 -30.9 25.4 27.7 10.1 504 77 B A T 45S+ 0 0 93 1,-0.2 -1,-0.1 2,-0.1 -2,-0.0 0.866 115.9 35.0 -71.2 -43.8 24.8 26.8 6.5 505 78 B R T 45S- 0 0 146 2,-0.1 -2,-0.2 -38,-0.0 -1,-0.2 0.557 114.1-114.7 -85.4 -16.0 28.3 25.2 6.2 506 79 B E T <5 + 0 0 51 -4,-0.5 -38,-0.7 1,-0.2 2,-0.5 0.935 59.4 160.9 76.5 56.7 28.3 23.9 9.7 507 80 B L E < +PR 467 502E 1 -5,-4.7 -5,-1.0 -40,-0.2 2,-0.4 -0.885 24.4 165.1-129.3 123.4 31.2 26.0 11.0 508 81 B T E -PR 466 501E 0 -42,-1.3 -42,-2.9 -2,-0.5 2,-0.4 -0.980 11.2-174.5-121.1 129.6 32.3 27.0 14.4 509 82 B K E -PR 465 500E 16 -9,-1.2 -9,-1.5 -2,-0.4 -10,-1.0 -0.930 12.5-170.0-130.8 126.4 35.8 28.5 14.7 510 83 B I E -PR 464 498E 0 -46,-1.7 -46,-2.0 -2,-0.4 2,-0.6 -0.946 18.4-143.0-131.6 139.7 36.9 29.2 18.3 511 84 B A E -PR 463 497E 0 -14,-1.9 -14,-1.3 -2,-0.3 -48,-0.2 -0.918 15.6-169.4-106.0 99.7 39.9 31.0 19.8 512 85 B Y E -P 462 0E 0 -50,-2.3 -50,-2.9 -2,-0.6 -16,-0.1 -0.859 25.7-122.7 -94.7 120.3 41.3 29.4 23.0 513 86 B P E > -P 461 0E 4 0, 0.0 3,-1.3 0, 0.0 4,-0.3 -0.250 17.4-125.5 -62.8 149.2 43.9 31.6 24.9 514 87 B V T 3 S+ 0 0 28 -54,-0.8 3,-0.2 1,-0.3 -53,-0.1 0.516 105.8 76.7 -74.1 -7.7 47.3 29.9 25.3 515 88 B A T 3 S+ 0 0 25 -22,-0.3 -325,-0.4 -55,-0.2 -1,-0.3 0.706 86.1 59.6 -73.3 -31.5 46.8 30.5 29.0 516 89 B L S < S+ 0 0 0 -3,-1.3 2,-0.4 -328,-0.1 -1,-0.2 0.521 85.8 94.4 -69.6 -23.8 44.3 27.6 29.3 517 90 B F S S- 0 0 0 -4,-0.3 2,-0.1 -3,-0.2 14,-0.0 -0.681 73.8-133.4 -87.3 122.8 46.8 25.1 28.1 518 91 B D - 0 0 4 -2,-0.4 9,-0.7 9,-0.1 2,-0.3 -0.292 21.6-167.3 -77.0 160.7 48.7 23.3 30.7 519 92 B R B -T 526 0F 44 -332,-0.2 7,-0.2 7,-0.2 6,-0.1 -0.982 29.2 -78.5-151.5 157.2 52.4 22.7 30.8 520 93 B N - 0 0 4 5,-2.7 4,-0.4 -2,-0.3 -297,-0.0 -0.275 18.0-151.3 -58.5 146.5 54.9 20.7 32.6 521 94 B I S S+ 0 0 16 2,-0.1 -1,-0.1 -293,-0.1 -293,-0.0 0.638 101.8 42.2 -87.5 -21.2 56.2 21.6 36.2 522 95 B T S S+ 0 0 78 3,-0.1 -1,-0.1 0, 0.0 -294,-0.0 0.860 131.2 16.8 -86.0 -69.0 59.5 20.0 35.3 523 96 B D S S- 0 0 78 2,-0.1 -2,-0.1 1,-0.0 3,-0.1 0.841 87.8-130.8 -76.0 -47.2 60.2 21.1 31.7 524 97 B G + 0 0 35 -4,-0.4 2,-0.2 1,-0.3 -3,-0.1 0.229 65.8 134.7 93.5 5.2 57.9 24.0 31.4 525 98 B K - 0 0 67 1,-0.2 -5,-2.7 -6,-0.1 -1,-0.3 -0.478 57.0 -97.7 -81.2 148.0 56.8 22.4 28.2 526 99 B A B -T 519 0F 5 36,-0.9 2,-0.3 -7,-0.2 38,-0.2 0.006 26.7-149.6 -69.4 161.1 53.5 21.8 26.5 527 100 B M > - 0 0 2 -9,-0.7 4,-0.7 1,-0.1 3,-0.3 -0.986 14.6-145.1-133.1 136.1 51.5 18.6 26.4 528 101 B I H > S+ 0 0 2 -2,-0.3 4,-2.2 1,-0.2 3,-0.1 0.782 96.2 70.6 -72.7 -36.8 49.1 17.1 23.8 529 102 B A H > S+ 0 0 2 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.804 101.6 46.9 -52.7 -33.8 46.8 15.5 26.4 530 103 B S H > S+ 0 0 5 -3,-0.3 4,-2.1 2,-0.3 5,-0.3 0.870 107.9 52.7 -75.8 -42.5 45.7 19.1 27.3 531 104 B F H X S+ 0 0 1 -4,-0.7 4,-1.4 1,-0.2 -2,-0.2 0.862 115.9 44.2 -61.0 -42.3 45.2 20.2 23.7 532 105 B L H X>S+ 0 0 19 -4,-2.2 5,-2.0 3,-0.2 4,-1.3 0.837 113.7 46.3 -74.4 -43.0 43.0 17.1 23.5 533 106 B T H <>S+ 0 0 6 -4,-1.9 5,-0.6 3,-0.3 6,-0.4 0.758 119.1 41.2 -70.0 -38.2 41.0 17.4 26.8 534 107 B L H <5S+ 0 0 0 -4,-2.1 -3,-0.2 -5,-0.1 -2,-0.2 0.918 129.2 25.7 -76.7 -53.0 40.3 21.1 26.3 535 108 B T H <5S+ 0 0 0 -4,-1.4 -3,-0.2 -5,-0.3 -2,-0.2 0.620 139.8 19.9 -92.0 -14.9 39.4 21.1 22.5 536 109 B M T X5S+ 0 0 12 -4,-1.3 4,-0.8 -5,-0.2 -3,-0.3 0.680 105.3 84.9-116.9 -57.5 38.2 17.4 22.0 537 110 B G H >>4 - 0 0 0 0, 0.0 4,-1.6 0, 0.0 5,-0.1 0.143 26.3-103.2 -54.8 179.4 50.5 30.4 17.7 557 130 B E H > S+ 0 0 86 2,-0.2 4,-1.5 3,-0.2 -97,-0.1 0.915 118.7 50.5 -73.2 -57.4 54.2 30.9 17.9 558 131 B A H 4 S+ 0 0 60 -99,-0.6 3,-0.2 1,-0.2 -1,-0.1 0.951 120.5 36.7 -50.9 -55.1 54.6 31.2 21.6 559 132 B Y H >4 S+ 0 0 3 -100,-0.2 3,-1.0 1,-0.2 4,-0.2 0.747 108.2 59.5 -75.3 -30.3 52.6 27.9 22.0 560 133 B R H >< S+ 0 0 44 -4,-1.6 3,-0.9 1,-0.2 -1,-0.2 0.791 102.2 60.2 -69.5 -28.9 53.8 25.9 19.1 561 134 B A T 3< S+ 0 0 54 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.397 90.6 65.1 -79.3 -7.7 57.3 26.2 20.5 562 135 B L T < S+ 0 0 45 -3,-1.0 -36,-0.9 -37,-0.1 -1,-0.2 0.531 86.4 90.5 -95.5 -8.9 56.7 24.6 23.8 563 136 B F S < S- 0 0 13 -3,-0.9 179,-0.1 -4,-0.2 -36,-0.1 -0.468 83.8-117.8 -83.7 159.3 56.0 21.2 22.2 564 137 B D - 0 0 33 177,-0.2 178,-0.2 -38,-0.2 179,-0.1 0.796 39.4-170.7 -65.1 -46.3 58.6 18.5 21.5 565 138 B G - 0 0 2 176,-3.7 176,-0.2 215,-0.1 217,-0.1 0.211 47.7 -46.1 63.3 163.0 58.4 18.3 17.5 566 139 B P - 0 0 9 0, 0.0 215,-0.4 0, 0.0 178,-0.1 -0.094 44.8-162.9 -61.6 162.7 60.4 15.5 15.8 567 140 B S S S+ 0 0 27 1,-0.5 2,-0.3 176,-0.4 143,-0.1 0.658 78.9 7.6-112.5 -31.3 64.0 14.7 16.9 568 141 B V + 0 0 25 175,-0.2 -1,-0.5 141,-0.2 2,-0.2 -0.801 69.7 171.6-141.2 165.0 65.1 12.7 13.9 569 142 B N >> - 0 0 17 -2,-0.3 3,-2.2 -3,-0.1 4,-0.5 -0.850 61.8 -42.9-160.3-159.1 63.2 12.0 10.7 570 143 B I H >> S+ 0 0 9 175,-0.4 4,-2.9 1,-0.3 3,-1.4 0.807 122.5 74.2 -57.9 -22.0 64.1 10.4 7.3 571 144 B S H 3> S+ 0 0 35 1,-0.3 4,-2.0 2,-0.2 -1,-0.3 0.649 93.2 54.4 -66.2 -11.6 67.5 12.1 7.2 572 145 B A H <> S+ 0 0 26 -3,-2.2 4,-0.5 2,-0.2 -1,-0.3 0.682 110.4 44.2 -85.3 -34.1 68.6 9.7 9.9 573 146 B L H XX S+ 0 0 6 -3,-1.4 4,-1.8 -4,-0.5 3,-1.7 0.946 115.3 50.4 -77.3 -54.1 67.6 6.7 7.8 574 147 B W H 3X>S+ 0 0 12 -4,-2.9 5,-2.5 1,-0.3 4,-0.6 0.864 107.7 52.0 -50.0 -54.1 69.2 8.5 4.8 575 148 B K H 3<5S+ 0 0 141 -4,-2.0 -1,-0.3 3,-0.2 -2,-0.2 0.730 113.9 45.1 -57.9 -27.4 72.4 9.1 6.7 576 149 B V H <<5S+ 0 0 30 -3,-1.7 -2,-0.2 -4,-0.5 -1,-0.2 0.782 109.6 51.4 -88.5 -27.5 72.5 5.3 7.6 577 150 B L H <5S- 0 0 26 -4,-1.8 -2,-0.2 -3,-0.3 -1,-0.2 0.348 121.2-112.9 -81.4 -4.9 71.7 4.1 4.1 578 151 B G T <5S+ 0 0 69 -4,-0.6 -3,-0.2 -5,-0.3 -2,-0.1 0.941 72.5 132.2 65.3 58.8 74.6 6.4 3.1 579 152 B R < - 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