==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/SIGNALING PROTEIN 16-MAY-13 4KRC . COMPND 2 MOLECULE: CYCLIN-DEPENDENT PROTEIN KINASE PHO85; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR F.A.QUIOCHO,F.ZHENG . 476 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20769.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 313 65.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 49 10.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 24 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 65 13.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 162 34.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.6 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 2 2 1 1 1 0 1 0 3 0 0 2 1 0 0 1 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 1 2 2 0 0 2 2 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 . 2 0 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 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 S 0 0 50 0, 0.0 70,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-146.8 8.7 6.6 8.3 2 3 A S > - 0 0 58 2,-0.1 3,-1.7 3,-0.1 4,-0.3 0.676 360.0-136.3 87.9 107.0 10.8 9.7 7.6 3 4 A S G > S+ 0 0 55 1,-0.3 3,-2.3 2,-0.2 70,-0.0 0.935 105.3 59.4 -54.1 -50.6 12.9 11.1 10.4 4 5 A S G 3 S+ 0 0 87 1,-0.3 -1,-0.3 3,-0.1 22,-0.1 0.606 86.8 82.6 -56.2 -10.4 11.9 14.7 9.6 5 6 A Q G < S+ 0 0 58 -3,-1.7 21,-1.8 1,-0.1 22,-0.4 0.761 93.7 43.5 -68.0 -25.7 8.3 13.5 10.1 6 7 A F E < S-A 25 0A 28 -3,-2.3 2,-0.6 -4,-0.3 19,-0.2 -0.973 72.2-141.3-127.5 136.5 8.6 14.0 13.9 7 8 A K E -A 24 0A 33 17,-2.6 17,-2.0 -2,-0.4 2,-0.2 -0.843 28.7-129.7 -91.8 123.1 10.1 16.7 16.0 8 9 A Q E +A 23 0A 96 -2,-0.6 15,-0.2 15,-0.2 2,-0.1 -0.469 34.0 171.3 -73.9 143.8 11.9 15.3 19.0 9 10 A L E - 0 0 68 13,-2.6 -1,-0.1 1,-0.2 3,-0.1 -0.274 39.2 -18.8-127.7-146.9 11.1 16.8 22.4 10 11 A E E - 0 0 105 11,-0.1 12,-3.2 1,-0.1 -1,-0.2 -0.334 69.4-100.6 -70.1 144.1 11.7 16.1 26.1 11 12 A K E -A 21 0A 119 10,-0.3 10,-0.3 1,-0.2 -1,-0.1 -0.413 32.7-174.0 -61.2 128.7 12.9 12.7 27.4 12 13 A L E - 0 0 50 8,-3.2 2,-0.3 1,-0.4 9,-0.2 0.613 56.8 -58.6-101.5 -18.2 10.0 10.8 28.8 13 14 A G E -A 20 0A 22 7,-1.7 7,-3.0 2,-0.0 -1,-0.4 -0.947 44.2-125.6 164.6 178.7 12.0 7.9 30.2 14 15 A N E -A 19 0A 100 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.992 14.3-179.8-150.9 159.7 14.3 5.0 29.6 15 16 A G - 0 0 50 3,-2.4 -2,-0.0 -2,-0.3 5,-0.0 -0.667 54.3 -64.4-137.0-162.3 14.7 1.3 30.1 16 17 A T S S+ 0 0 142 -2,-0.2 3,-0.0 1,-0.2 0, 0.0 0.902 127.7 17.6 -57.5 -47.7 17.3 -1.4 29.4 17 18 A Y S S+ 0 0 139 1,-0.0 21,-0.7 20,-0.0 2,-0.3 0.670 121.7 39.7-103.9 -20.8 17.1 -1.3 25.6 18 19 A A E - B 0 37A 10 19,-0.2 -3,-2.4 2,-0.0 2,-0.4 -0.870 54.2-143.2-134.9 160.4 15.5 2.0 24.7 19 20 A T E -AB 14 36A 42 17,-2.0 17,-3.2 -2,-0.3 2,-0.5 -0.995 23.4-149.9-120.3 132.9 15.2 5.8 25.4 20 21 A V E -AB 13 35A 36 -7,-3.0 -8,-3.2 -2,-0.4 -7,-1.7 -0.888 15.1-179.7-109.6 125.9 11.8 7.4 25.0 21 22 A Y E -AB 11 34A 53 13,-1.8 13,-3.3 -2,-0.5 -10,-0.3 -0.937 34.3-110.6-115.8 145.1 11.2 11.1 24.0 22 23 A K E - B 0 33A 40 -12,-3.2 -13,-2.6 -2,-0.4 2,-0.3 -0.396 44.9-170.2 -57.7 149.2 8.0 13.0 23.6 23 24 A G E -AB 8 32A 0 9,-2.0 9,-2.7 -15,-0.2 2,-0.4 -0.969 17.4-142.4-144.2 158.4 7.6 13.7 19.9 24 25 A L E -AB 7 31A 46 -17,-2.0 -17,-2.6 -2,-0.3 2,-0.5 -0.982 17.1-131.3-129.2 123.6 5.4 15.9 17.7 25 26 A N E > -A 6 0A 26 5,-2.6 4,-1.3 -2,-0.4 -19,-0.2 -0.602 18.1-149.7 -67.6 118.2 4.0 15.0 14.3 26 27 A K T 4 S+ 0 0 121 -21,-1.8 -1,-0.2 -2,-0.5 -20,-0.1 0.823 89.8 39.9 -63.5 -31.9 4.8 18.1 12.3 27 28 A T T 4 S+ 0 0 110 -22,-0.4 -1,-0.1 1,-0.1 -21,-0.0 0.976 122.8 31.1 -78.4 -74.1 1.8 17.5 10.0 28 29 A T T 4 S- 0 0 84 1,-0.1 -2,-0.2 2,-0.1 -1,-0.1 0.500 94.5-133.4 -69.7 -5.8 -1.2 16.3 12.2 29 30 A G < + 0 0 44 -4,-1.3 2,-0.2 1,-0.2 -1,-0.1 0.418 59.1 138.9 70.8 -3.2 0.1 18.3 15.2 30 31 A V - 0 0 85 -6,-0.1 -5,-2.6 1,-0.1 -1,-0.2 -0.540 52.4-122.4 -83.1 138.6 -0.5 15.3 17.3 31 32 A Y E +B 24 0A 109 -2,-0.2 52,-0.7 -7,-0.2 -7,-0.2 -0.456 33.1 177.5 -76.8 148.3 2.0 14.2 20.1 32 33 A V E -BC 23 82A 7 -9,-2.7 -9,-2.0 50,-0.2 2,-0.5 -0.792 32.1-108.3-136.5 177.1 3.6 10.8 20.1 33 34 A A E -BC 22 81A 13 48,-2.7 48,-3.2 -2,-0.2 2,-1.0 -0.981 25.7-151.9-114.4 124.1 6.1 8.8 22.0 34 35 A L E -BC 21 80A 8 -13,-3.3 -13,-1.8 -2,-0.5 2,-0.9 -0.768 7.4-165.4 -99.6 92.7 9.4 8.2 20.2 35 36 A K E -BC 20 79A 26 44,-2.7 44,-3.1 -2,-1.0 2,-0.5 -0.690 12.4-158.3 -81.1 107.6 11.0 4.9 21.5 36 37 A E E -BC 19 78A 22 -17,-3.2 -17,-2.0 -2,-0.9 2,-0.5 -0.778 8.2-167.1 -94.6 125.6 14.5 5.1 20.3 37 38 A V E -BC 18 77A 4 40,-3.4 40,-2.7 -2,-0.5 2,-0.3 -0.939 20.6-129.4-110.7 126.1 16.5 1.9 19.9 38 39 A K E - C 0 76A 146 -21,-0.7 2,-0.5 -2,-0.5 38,-0.2 -0.558 17.4-160.6 -72.0 135.7 20.3 2.0 19.5 39 40 A L - 0 0 4 36,-3.3 2,-0.4 -2,-0.3 6,-0.1 -0.678 8.0-174.1-120.1 75.8 21.4 -0.1 16.5 40 41 A D >> - 0 0 58 -2,-0.5 4,-2.4 4,-0.3 3,-0.7 -0.587 23.9-140.8 -71.9 123.3 25.1 -0.8 16.9 41 42 A S T 34 S+ 0 0 42 -2,-0.4 405,-0.3 1,-0.2 -1,-0.2 0.644 100.0 54.5 -59.9 -12.6 26.3 -2.5 13.8 42 43 A E T 34 S+ 0 0 70 2,-0.1 -1,-0.2 401,-0.1 389,-0.1 0.824 114.9 32.4 -91.6 -36.4 28.5 -4.7 16.0 43 44 A E T <4 S- 0 0 59 -3,-0.7 -2,-0.2 1,-0.2 2,-0.2 0.852 104.1-138.3 -89.3 -40.8 25.9 -6.1 18.5 44 45 A G < - 0 0 6 -4,-2.4 -4,-0.3 2,-0.1 -1,-0.2 -0.499 36.5 -31.5 113.5 179.2 22.9 -6.2 16.1 45 46 A T S S- 0 0 1 -2,-0.2 -6,-0.1 -6,-0.1 5,-0.0 -0.670 70.9-114.1 -75.2 119.3 19.1 -5.5 16.1 46 47 A P > - 0 0 14 0, 0.0 4,-1.5 0, 0.0 3,-0.4 -0.275 10.4-137.3 -59.2 132.2 17.7 -6.1 19.6 47 48 A S H > S+ 0 0 40 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.778 101.5 65.7 -59.1 -27.7 15.3 -9.0 19.8 48 49 A T H > S+ 0 0 23 2,-0.2 4,-3.2 1,-0.2 -1,-0.2 0.950 101.1 45.1 -60.3 -52.2 13.1 -6.8 22.0 49 50 A A H > S+ 0 0 1 -3,-0.4 4,-3.0 1,-0.2 5,-0.2 0.889 113.5 52.0 -60.2 -41.3 12.3 -4.2 19.3 50 51 A I H X S+ 0 0 1 -4,-1.5 4,-2.5 2,-0.2 5,-0.3 0.934 113.0 43.4 -59.8 -49.4 11.6 -7.1 16.9 51 52 A R H X S+ 0 0 13 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.915 114.3 51.9 -63.9 -40.7 9.2 -8.7 19.3 52 53 A E H < S+ 0 0 2 -4,-3.2 -2,-0.2 -5,-0.2 -1,-0.2 0.918 112.3 44.9 -62.1 -44.7 7.7 -5.3 20.1 53 54 A I H >X S+ 0 0 0 -4,-3.0 3,-1.2 1,-0.2 4,-1.1 0.947 116.4 43.5 -67.7 -48.9 7.1 -4.5 16.5 54 55 A S H 3< S+ 0 0 6 -4,-2.5 408,-0.6 1,-0.2 407,-0.5 0.914 112.8 52.8 -62.0 -42.0 5.7 -7.9 15.5 55 56 A L T 3< S+ 0 0 7 -4,-2.5 4,-0.4 -5,-0.3 -1,-0.2 0.384 108.1 52.4 -78.3 6.7 3.5 -8.2 18.6 56 57 A M T <4 S+ 0 0 5 -3,-1.2 11,-0.3 -4,-0.2 -1,-0.2 0.682 93.3 61.9-118.2 -26.4 1.9 -4.7 18.1 57 58 A K S < S+ 0 0 56 -4,-1.1 -2,-0.1 -3,-0.4 3,-0.1 0.594 119.6 35.0 -73.2 -7.8 0.6 -4.7 14.5 58 59 A E S S+ 0 0 13 -4,-0.4 2,-1.3 1,-0.2 -2,-0.2 0.680 102.8 72.8-116.6 -32.6 -1.6 -7.6 15.8 59 60 A L + 0 0 2 -4,-0.4 2,-0.5 2,-0.0 -1,-0.2 -0.697 60.0 162.2 -91.3 87.6 -2.4 -6.7 19.4 60 61 A K + 0 0 102 -2,-1.3 2,-0.3 -3,-0.1 5,-0.1 -0.937 11.8 130.0-113.0 120.1 -4.9 -3.9 19.1 61 62 A H > - 0 0 45 -2,-0.5 3,-1.6 3,-0.5 55,-0.0 -0.956 65.7-109.1-163.7 153.2 -7.0 -3.1 22.1 62 63 A E T 3 S+ 0 0 125 -2,-0.3 4,-0.1 1,-0.3 54,-0.1 0.588 118.5 50.9 -72.1 -9.9 -7.8 0.1 24.0 63 64 A N T 3 S+ 0 0 1 81,-0.1 82,-2.6 2,-0.1 2,-0.4 0.091 97.3 77.2-114.7 16.8 -5.7 -1.1 26.9 64 65 A I B < S-e 145 0B 0 -3,-1.6 -3,-0.5 80,-0.3 82,-0.2 -0.996 90.9-111.2-125.7 126.5 -2.7 -1.9 24.9 65 66 A V - 0 0 3 80,-2.4 2,-0.4 -2,-0.4 -2,-0.1 -0.201 35.0-121.6 -52.1 142.6 -0.5 1.0 23.7 66 67 A R - 0 0 107 -4,-0.1 16,-2.5 -6,-0.1 2,-0.5 -0.770 12.1-146.6 -93.6 132.1 -0.6 1.6 20.0 67 68 A L E +D 81 0A 18 -2,-0.4 14,-0.3 -11,-0.3 3,-0.1 -0.856 17.8 179.3 -93.3 128.8 2.5 1.4 17.7 68 69 A Y E - 0 0 110 12,-3.7 2,-0.3 -2,-0.5 13,-0.2 0.773 55.2 -16.7-101.7 -31.0 2.1 3.9 14.9 69 70 A D E -D 80 0A 45 11,-1.3 11,-2.6 2,-0.0 2,-0.4 -0.985 47.1-132.1-170.8 163.8 5.3 3.5 12.9 70 71 A V E -D 79 0A 3 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.910 21.9-165.1-139.6 108.4 8.9 2.3 12.8 71 72 A I E -D 78 0A 8 7,-3.1 7,-3.1 -2,-0.4 2,-0.6 -0.773 5.8-158.6-101.0 135.4 11.6 4.6 11.5 72 73 A H E +D 77 0A 48 -2,-0.4 5,-0.2 5,-0.2 2,-0.1 -0.823 27.9 151.5-117.0 93.1 15.1 3.5 10.6 73 74 A T E > -D 76 0A 46 3,-1.8 3,-1.5 -2,-0.6 2,-0.5 -0.223 58.5 -31.2-101.6-163.8 17.8 6.2 10.6 74 75 A E T 3 S- 0 0 91 1,-0.3 -1,-0.2 -2,-0.1 -35,-0.1 -0.325 122.9 -33.1 -60.3 105.8 21.5 6.2 11.2 75 76 A N T 3 S+ 0 0 65 -2,-0.5 -36,-3.3 1,-0.1 2,-0.3 0.722 123.1 101.3 56.4 24.0 22.3 3.4 13.6 76 77 A K E < -CD 38 73A 64 -3,-1.5 -3,-1.8 -38,-0.2 2,-0.5 -0.997 54.4-161.1-145.4 135.2 18.9 4.0 15.3 77 78 A L E -CD 37 72A 0 -40,-2.7 -40,-3.4 -2,-0.3 2,-0.6 -0.971 13.5-163.0-114.6 119.7 15.4 2.5 15.2 78 79 A T E -CD 36 71A 11 -7,-3.1 -7,-3.1 -2,-0.5 2,-0.7 -0.916 5.1-161.7-107.4 120.3 12.6 4.6 16.4 79 80 A L E -CD 35 70A 0 -44,-3.1 -44,-2.7 -2,-0.6 2,-0.7 -0.900 15.6-148.0 -95.6 115.9 9.3 3.0 17.2 80 81 A V E -CD 34 69A 0 -11,-2.6 -12,-3.7 -2,-0.7 -11,-1.3 -0.775 22.6-179.6 -91.7 116.9 6.6 5.7 17.2 81 82 A F E -CD 33 67A 14 -48,-3.2 -48,-2.7 -2,-0.7 -14,-0.2 -0.671 37.3 -86.8-109.3 164.8 3.9 5.0 19.8 82 83 A E E -C 32 0A 12 -16,-2.5 2,-0.5 -2,-0.2 -50,-0.2 -0.416 56.8-103.7 -63.8 148.0 0.8 6.8 20.8 83 84 A F - 0 0 36 -52,-0.7 2,-0.3 -2,-0.1 -1,-0.1 -0.672 37.5-173.8 -88.7 126.8 1.6 9.3 23.4 84 85 A M - 0 0 12 -2,-0.5 54,-0.2 1,-0.1 3,-0.0 -0.871 22.0-139.9-115.3 149.6 0.7 8.6 27.1 85 86 A D S S+ 0 0 72 52,-0.4 2,-0.3 -2,-0.3 53,-0.2 0.889 75.1 2.4 -80.9 -38.7 1.1 11.2 29.8 86 87 A N E -F 137 0B 53 51,-3.6 51,-2.4 4,-0.0 2,-0.3 -0.817 56.2-131.2-133.4 171.2 2.4 8.9 32.6 87 88 A D E > -F 136 0B 22 49,-0.3 4,-2.4 -2,-0.3 49,-0.2 -0.773 44.6-102.7-111.9 172.7 3.5 5.5 33.6 88 89 A L H > S+ 0 0 0 44,-1.8 4,-2.1 47,-1.7 45,-0.2 0.872 119.0 51.0 -66.9 -36.1 2.1 4.1 36.7 89 90 A K H > S+ 0 0 35 43,-0.4 4,-3.2 2,-0.2 3,-0.4 0.996 113.6 42.6 -61.2 -63.9 5.2 4.7 38.8 90 91 A K H > S+ 0 0 78 1,-0.3 4,-3.0 2,-0.2 -2,-0.2 0.862 112.8 55.1 -48.4 -44.9 5.6 8.4 37.8 91 92 A Y H < S+ 0 0 48 -4,-2.4 4,-0.3 2,-0.2 -1,-0.3 0.921 113.2 40.5 -58.1 -45.4 1.9 8.9 38.3 92 93 A M H >< S+ 0 0 1 -4,-2.1 3,-1.1 -3,-0.4 4,-0.4 0.888 114.6 52.7 -72.1 -39.3 2.0 7.5 41.8 93 94 A D H >< S+ 0 0 75 -4,-3.2 3,-1.3 1,-0.2 -2,-0.2 0.874 102.6 59.4 -58.4 -40.1 5.3 9.4 42.4 94 95 A S T 3< S+ 0 0 86 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.597 107.7 46.7 -68.7 -10.0 3.6 12.6 41.3 95 96 A R T < 0 0 61 -3,-1.1 -1,-0.3 -4,-0.3 -2,-0.2 0.481 360.0 360.0-103.0 -7.8 1.1 12.1 44.1 96 97 A T < 0 0 123 -3,-1.3 -3,-0.1 -4,-0.4 105,-0.0 -0.054 360.0 360.0 -44.2 360.0 3.8 11.3 46.7 97 ! 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 98 102 A P 0 0 126 0, 0.0 2,-0.1 0, 0.0 -2,-0.1 0.000 360.0 360.0 360.0 143.6 0.1 9.5 49.1 99 103 A R + 0 0 48 -7,-0.2 102,-0.3 102,-0.1 -4,-0.1 -0.881 360.0 63.2-102.4 -11.4 1.5 7.4 47.9 100 104 A G S S- 0 0 12 100,-0.6 99,-0.2 157,-0.3 2,-0.2 -0.218 82.8-113.0 -62.5 162.9 -1.0 4.6 47.7 101 105 A L - 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0 0 106 1,-0.1 4,-1.2 0, 0.0 3,-0.2 -0.873 360.0-102.4-141.5 174.1 6.2 3.6 0.0 341 291 B R H > S+ 0 0 83 -2,-0.3 4,-3.0 1,-0.2 3,-0.4 0.949 114.5 52.5 -66.8 -56.2 9.7 4.8 -0.8 342 292 B V H > S+ 0 0 51 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.770 104.7 64.1 -52.7 -25.1 11.7 3.9 2.3 343 293 B E H 4 S+ 0 0 24 2,-0.2 4,-0.3 1,-0.2 -1,-0.2 0.974 109.8 33.4 -62.5 -56.3 10.2 0.5 1.8 344 294 B K H >X S+ 0 0 64 -4,-1.2 3,-1.3 -3,-0.4 4,-0.7 0.869 114.9 61.7 -67.0 -38.0 12.0 -0.1 -1.5 345 295 B K H >< S+ 0 0 78 -4,-3.0 3,-0.7 1,-0.3 -1,-0.2 0.883 105.2 46.3 -51.3 -44.3 14.9 1.9 -0.2 346 296 B E T 3< S+ 0 0 18 -4,-2.0 3,-0.4 1,-0.2 -1,-0.3 0.552 106.9 61.4 -78.6 -7.8 15.4 -0.6 2.6 347 297 B Y T X4 S+ 0 0 33 -3,-1.3 3,-0.5 -4,-0.3 4,-0.3 0.548 75.8 86.7 -98.4 -10.0 15.1 -3.5 0.1 348 298 B S G X< S+ 0 0 70 -3,-0.7 3,-0.6 -4,-0.7 -1,-0.2 0.653 78.1 75.5 -60.8 -14.6 18.1 -2.7 -2.1 349 299 B N G 3 S+ 0 0 53 -3,-0.4 -1,-0.2 1,-0.2 -2,-0.1 0.894 76.3 61.2 -75.3 -47.3 20.2 -4.7 0.3 350 300 B F G < S+ 0 0 0 -3,-0.5 2,-1.0 61,-0.1 61,-0.9 0.657 84.3 102.5 -59.0 -11.7 19.6 -8.4 -0.3 351 301 B Y < - 0 0 118 -3,-0.6 2,-0.4 -4,-0.3 57,-0.3 -0.633 51.6-178.6 -81.3 100.2 20.9 -7.7 -3.8 352 302 B M - 0 0 18 55,-2.3 58,-0.1 -2,-1.0 57,-0.1 -0.846 19.8-150.0 -96.4 134.9 24.5 -8.9 -4.1 353 303 B K S S+ 0 0 91 -2,-0.4 -1,-0.1 2,-0.1 55,-0.0 0.951 75.5 64.9 -68.9 -51.1 26.2 -8.3 -7.4 354 304 B S S S- 0 0 95 1,-0.1 -2,-0.1 53,-0.0 0, 0.0 -0.039 99.2 -87.4 -68.3 174.3 28.6 -11.3 -7.4 355 305 B K - 0 0 81 1,-0.1 -1,-0.1 2,-0.0 -2,-0.1 -0.778 45.9-105.1 -91.2 120.8 27.5 -15.0 -7.5 356 306 B P - 0 0 58 0, 0.0 4,-0.1 0, 0.0 -1,-0.1 -0.202 27.9-144.3 -42.0 109.6 26.8 -16.6 -4.1 357 307 B T S S+ 0 0 151 2,-0.1 2,-0.6 1,-0.1 -2,-0.0 0.856 86.1 58.9 -51.3 -45.2 29.8 -18.8 -3.5 358 308 B L S S- 0 0 39 1,-0.1 5,-0.1 2,-0.0 -1,-0.1 -0.804 100.2-112.3 -90.5 121.2 27.7 -21.5 -1.8 359 309 B S > - 0 0 64 -2,-0.6 4,-3.5 1,-0.1 5,-0.2 -0.170 32.1-111.2 -45.8 142.2 25.0 -22.8 -3.9 360 310 B S H > S+ 0 0 86 1,-0.2 4,-1.2 2,-0.2 5,-0.2 0.913 115.9 42.6 -44.7 -56.4 21.6 -21.8 -2.5 361 311 B A H >> S+ 0 0 73 1,-0.2 4,-1.3 2,-0.2 3,-0.8 0.951 118.5 42.9 -59.0 -55.2 20.7 -25.3 -1.5 362 312 B D H 3> S+ 0 0 59 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.860 106.0 66.3 -59.7 -35.6 24.1 -26.3 -0.1 363 313 B F H 3X S+ 0 0 13 -4,-3.5 4,-1.2 1,-0.3 -1,-0.2 0.836 103.3 44.3 -55.6 -37.9 24.3 -22.9 1.6 364 314 B L H > - 0 0 108 -2,-0.1 3,-0.8 1,-0.1 4,-0.7 -0.657 38.2-102.3 -92.7 155.8 14.4 -26.7 14.9 375 325 B P H >> S+ 0 0 44 0, 0.0 4,-1.4 0, 0.0 3,-0.8 0.857 116.7 68.6 -43.2 -46.6 11.8 -27.0 12.1 376 326 B T H >> S+ 0 0 21 1,-0.2 4,-2.1 2,-0.2 3,-1.5 0.887 92.3 58.5 -38.7 -61.4 9.9 -24.0 13.4 377 327 B V H <> S+ 0 0 1 -3,-0.8 4,-2.5 1,-0.3 -1,-0.2 0.835 107.4 44.6 -36.0 -54.3 12.8 -21.6 12.4 378 328 B Y H X S+ 0 0 0 -4,-2.2 4,-4.5 1,-0.2 3,-0.6 0.990 115.7 41.6 -49.2 -69.4 5.3 -15.2 1.8 387 337 B T H 3< S+ 0 0 4 -4,-3.8 -1,-0.2 1,-0.3 -2,-0.2 0.784 115.2 53.7 -55.2 -30.4 4.0 -12.2 3.6 388 338 B L H 3< S+ 0 0 18 -4,-2.5 -1,-0.3 -5,-0.4 -2,-0.2 0.915 126.9 17.7 -70.1 -43.4 6.7 -10.0 2.0 389 339 B F H << S+ 0 0 4 -4,-2.6 12,-4.3 -3,-0.6 13,-0.5 0.713 116.4 66.5-104.9 -23.6 5.8 -11.0 -1.5 390 340 B L E < +J 400 0E 28 -4,-4.5 2,-0.2 -5,-0.4 10,-0.2 -0.462 42.0 152.7-106.0 170.2 2.3 -12.5 -1.4 391 341 B T E -J 399 0E 44 8,-0.7 8,-1.5 -2,-0.1 2,-0.2 -0.845 34.9-116.9 176.7 151.1 -1.2 -11.4 -0.7 392 342 B R E -J 398 0E 53 -2,-0.2 6,-0.2 6,-0.2 2,-0.2 -0.616 24.8-135.7 -99.5 165.2 -4.7 -12.6 -1.7 393 343 B D > - 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0 0 93 -2,-0.3 2,-0.5 -3,-0.1 -71,-0.1 -0.729 30.9-157.7 -91.3 122.4 9.6 -8.9 -7.6 404 354 B L - 0 0 7 -2,-0.5 2,-0.3 -73,-0.4 -69,-0.2 -0.860 10.8-171.4-102.2 126.4 12.1 -11.4 -6.2 405 355 B Q >> - 0 0 90 -2,-0.5 3,-1.8 1,-0.1 4,-1.2 -0.835 34.5-124.7-118.3 151.7 15.4 -12.1 -8.0 406 356 B E H 3> S+ 0 0 75 -2,-0.3 4,-0.7 1,-0.3 -1,-0.1 0.745 111.8 66.7 -64.3 -23.1 18.1 -14.6 -7.4 407 357 B K H 34 S+ 0 0 37 1,-0.2 -55,-2.3 2,-0.1 -1,-0.3 0.687 111.2 34.8 -68.5 -18.0 20.5 -11.7 -7.2 408 358 B E H <> S+ 0 0 17 -3,-1.8 4,-1.7 -57,-0.3 -2,-0.2 0.583 98.3 86.4-107.9 -17.6 18.7 -10.8 -4.0 409 359 B V H X S+ 0 0 16 -4,-1.2 4,-1.9 1,-0.2 -2,-0.1 0.874 80.3 57.9 -53.5 -48.6 17.9 -14.3 -2.8 410 360 B H H X S+ 0 0 33 -4,-0.7 4,-1.3 1,-0.2 3,-0.3 0.905 112.5 37.0 -57.3 -51.2 21.1 -15.0 -0.9 411 361 B R H > S+ 0 0 108 -61,-0.9 4,-2.4 1,-0.2 -1,-0.2 0.835 112.6 60.0 -70.4 -32.5 21.0 -12.2 1.6 412 362 B M H X S+ 0 0 7 -4,-1.7 4,-2.1 -62,-0.3 -1,-0.2 0.818 100.7 57.7 -63.4 -31.3 17.2 -12.5 1.9 413 363 B I H X S+ 0 0 27 -4,-1.9 4,-1.8 -3,-0.3 -2,-0.2 0.967 108.4 42.4 -62.9 -57.2 17.8 -16.0 3.1 414 364 B I H X S+ 0 0 16 -4,-1.3 4,-2.3 1,-0.2 5,-0.5 0.957 111.8 56.8 -52.3 -54.6 19.9 -15.0 6.1 415 365 B A H X S+ 0 0 1 -4,-2.4 4,-2.2 1,-0.2 5,-0.3 0.903 108.6 45.4 -43.7 -55.8 17.6 -12.1 6.9 416 366 B A H X S+ 0 0 3 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.852 114.2 48.7 -60.9 -38.4 14.5 -14.4 7.2 417 367 B V H X S+ 0 0 19 -4,-1.8 4,-2.9 -3,-0.4 -2,-0.2 0.948 116.0 37.6 -74.0 -51.3 16.3 -17.0 9.3 418 368 B R H X S+ 0 0 15 -4,-2.3 4,-2.9 2,-0.2 5,-0.2 0.954 119.8 50.0 -64.7 -46.6 18.0 -14.9 12.0 419 369 B L H X S+ 0 0 2 -4,-2.2 4,-0.8 -5,-0.5 -2,-0.2 0.904 111.4 50.7 -53.1 -44.0 15.0 -12.6 12.0 420 370 B S H >X S+ 0 0 0 -4,-2.0 4,-1.5 -5,-0.3 3,-1.0 0.942 110.7 46.6 -59.9 -51.1 12.8 -15.7 12.4 421 371 B T H 3X S+ 0 0 2 -4,-2.9 4,-2.7 1,-0.3 -2,-0.2 0.898 106.5 58.8 -59.6 -41.6 14.9 -17.1 15.3 422 372 B K H 3< S+ 0 0 6 -4,-2.9 -1,-0.3 1,-0.3 -2,-0.2 0.717 107.4 48.8 -62.3 -21.0 14.8 -13.7 17.0 423 373 B L H << S+ 0 0 18 -3,-1.0 -1,-0.3 -4,-0.8 -2,-0.2 0.827 120.4 36.1 -80.8 -34.5 11.0 -14.1 16.9 424 374 B L H < S+ 0 0 6 -4,-1.5 2,-0.3 -3,-0.2 -2,-0.2 0.944 103.0 61.9 -86.7 -54.6 11.1 -17.6 18.3 425 375 B E < - 0 0 20 -4,-2.7 3,-0.1 1,-0.1 -264,-0.1 -0.580 55.7-148.0 -97.6 140.1 13.8 -18.1 20.9 426 376 B D S S+ 0 0 41 -266,-0.3 2,-0.3 -2,-0.3 -1,-0.1 0.447 101.9 31.9 -70.1 -1.5 14.5 -16.5 24.3 427 377 B F S S+ 0 0 47 -6,-0.2 -1,-0.2 -267,-0.0 2,-0.2 -0.865 71.6 173.8-159.9 121.9 18.1 -17.2 23.3 428 378 B V - 0 0 47 -2,-0.3 3,-0.1 1,-0.2 -10,-0.0 -0.680 42.5 -78.2-118.3 175.7 19.7 -17.2 19.8 429 379 B H - 0 0 72 -2,-0.2 -1,-0.2 1,-0.1 -58,-0.0 -0.243 62.3 -84.0 -67.5 165.7 23.3 -17.5 18.6 430 380 B S > - 0 0 74 1,-0.1 4,-1.5 4,-0.0 5,-0.3 -0.112 34.8-109.6 -68.5 168.6 25.6 -14.5 18.8 431 381 B H H > S+ 0 0 12 1,-0.2 4,-1.1 2,-0.2 -1,-0.1 0.741 120.9 38.5 -73.6 -21.1 25.7 -11.8 16.1 432 382 B E H > S+ 0 0 94 2,-0.2 4,-1.8 3,-0.2 -1,-0.2 0.748 106.8 61.9 -99.4 -28.9 29.1 -12.9 15.0 433 383 B Y H > S+ 0 0 40 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.906 119.0 31.8 -58.3 -40.5 28.5 -16.7 15.3 434 384 B F H X S+ 0 0 6 -4,-1.5 4,-1.3 2,-0.2 6,-0.2 0.869 112.9 59.1 -84.0 -43.1 25.8 -16.2 12.7 435 385 B S H <>S+ 0 0 3 -4,-1.1 5,-3.1 -5,-0.3 -2,-0.2 0.827 112.9 45.9 -52.6 -29.1 27.6 -13.3 10.9 436 386 B K H ><5S+ 0 0 67 -4,-1.8 3,-3.1 3,-0.2 -2,-0.2 0.950 102.9 58.8 -76.5 -55.8 30.2 -16.0 10.5 437 387 B V H 3<5S+ 0 0 38 -4,-1.8 -2,-0.2 1,-0.3 -1,-0.2 0.672 115.0 40.5 -48.5 -17.9 27.9 -18.9 9.4 438 388 B C T 3<5S- 0 0 17 -4,-1.3 -1,-0.3 2,-0.1 -2,-0.2 0.259 107.3-120.7-117.4 9.4 26.9 -16.6 6.5 439 389 B G T < 5 + 0 0 79 -3,-3.1 2,-0.4 1,-0.2 -3,-0.2 0.897 67.4 148.4 48.4 43.1 30.3 -15.2 5.6 440 390 B I < - 0 0 28 -5,-3.1 2,-0.4 -6,-0.2 -1,-0.2 -0.873 57.8-116.0-115.8 139.5 28.6 -11.9 6.3 441 391 B S >> - 0 0 65 -2,-0.4 4,-2.9 1,-0.2 3,-1.5 -0.592 27.0-132.9 -65.8 123.8 29.9 -8.6 7.7 442 392 B K H 3> S+ 0 0 14 -2,-0.4 4,-1.6 1,-0.3 -1,-0.2 0.697 108.2 59.9 -54.6 -19.6 28.1 -8.1 11.0 443 393 B R H 3> S+ 0 0 107 2,-0.2 4,-1.6 3,-0.1 -1,-0.3 0.840 109.0 41.4 -76.0 -35.6 27.4 -4.5 9.8 444 394 B L H <> S+ 0 0 47 -3,-1.5 4,-2.3 2,-0.2 5,-0.3 0.912 109.2 59.0 -74.4 -45.2 25.5 -5.9 6.8 445 395 B L H X S+ 0 0 5 -4,-2.9 4,-1.0 1,-0.2 3,-0.4 0.934 108.2 46.9 -47.5 -49.8 23.8 -8.6 8.9 446 396 B T H >X S+ 0 0 9 -4,-1.6 4,-2.0 -405,-0.3 3,-1.1 0.942 111.4 50.4 -56.9 -48.2 22.4 -5.7 11.0 447 397 B K H 3X S+ 0 0 32 -4,-1.6 4,-1.3 1,-0.3 -1,-0.2 0.753 109.6 52.3 -63.1 -24.2 21.4 -3.8 7.8 448 398 B L H 3X S+ 0 0 14 -4,-2.3 4,-1.1 -3,-0.4 -1,-0.3 0.594 106.8 51.5 -91.2 -13.5 19.7 -7.0 6.5 449 399 B E H X S+ 0 0 0 -4,-1.1 4,-2.0 1,-0.2 3,-0.8 0.992 117.5 50.8 -57.8 -63.7 13.6 -7.2 6.1 453 403 B L H 3X S+ 0 0 3 -4,-2.5 4,-1.6 1,-0.3 -1,-0.2 0.852 110.8 50.3 -41.2 -46.0 11.9 -6.1 9.3 454 404 B I H 3< S+ 0 0 20 -4,-2.2 4,-0.4 1,-0.2 -1,-0.3 0.916 111.5 48.3 -62.3 -41.1 11.2 -2.7 7.7 455 405 B C H << S+ 0 0 32 -4,-2.0 -2,-0.2 -3,-0.8 -1,-0.2 0.784 122.7 29.6 -74.0 -28.9 9.7 -4.3 4.6 456 406 B V H >< S+ 0 0 1 -4,-2.0 3,-2.6 -5,-0.1 -1,-0.2 0.498 88.4 97.9-109.4 -5.4 7.3 -6.7 6.3 457 407 B C T 3< S+ 0 0 15 -4,-1.6 4,-0.2 -5,-0.3 -2,-0.1 0.791 75.8 65.3 -62.6 -28.3 6.5 -4.9 9.5 458 408 B N T 3 S+ 0 0 93 -4,-0.4 -1,-0.3 -3,-0.1 2,-0.3 0.420 94.7 76.9 -73.3 3.1 3.2 -3.6 8.1 459 409 B T S < S- 0 0 37 -3,-2.6 2,-0.9 -158,-0.0 -402,-0.1 -0.750 102.9 -91.0-105.5 162.7 2.1 -7.3 7.9 460 410 B K + 0 0 53 -2,-0.3 -406,-0.1 1,-0.2 -2,-0.1 -0.613 50.4 166.5 -76.3 109.1 0.9 -9.3 10.9 461 411 B L + 0 0 8 -2,-0.9 -1,-0.2 -407,-0.5 -406,-0.1 0.429 26.0 131.0-105.3 -4.4 4.1 -11.0 12.1 462 412 B M - 0 0 10 -408,-0.6 2,-0.2 -409,-0.1 5,-0.1 -0.345 63.5-122.0 -48.6 118.5 2.8 -12.2 15.4 463 413 B V + 0 0 20 -40,-0.1 2,-0.3 -2,-0.1 -1,-0.1 -0.490 48.1 147.0 -74.0 138.2 3.9 -15.8 15.3 464 414 B S > - 0 0 38 -2,-0.2 4,-2.2 -311,-0.1 3,-0.3 -0.966 59.9 -95.8-164.7 161.4 1.2 -18.5 15.7 465 415 B N H > S+ 0 0 45 -2,-0.3 4,-2.6 1,-0.2 5,-0.1 0.800 120.7 54.9 -55.9 -36.3 0.5 -22.1 14.5 466 416 B R H > S+ 0 0 52 2,-0.2 4,-3.3 1,-0.2 -1,-0.2 0.942 109.5 45.9 -63.3 -48.2 -1.7 -20.8 11.6 467 417 B K H > S+ 0 0 11 -3,-0.3 4,-0.6 1,-0.2 -2,-0.2 0.866 113.3 51.9 -61.7 -35.7 1.2 -18.7 10.3 468 418 B L H X S+ 0 0 17 -4,-2.2 4,-0.6 1,-0.2 3,-0.4 0.891 113.2 44.1 -65.2 -41.3 3.4 -21.7 10.8 469 419 B A H >X S+ 0 0 10 -4,-2.6 4,-1.6 1,-0.2 3,-0.8 0.932 102.0 65.6 -67.3 -48.2 1.0 -23.9 8.8 470 420 B A H 3X S+ 0 0 0 -4,-3.3 4,-2.5 1,-0.2 5,-0.2 0.686 88.6 71.8 -52.9 -22.3 0.5 -21.3 6.0 471 421 B S H 3X S+ 0 0 7 -4,-0.6 4,-0.8 -3,-0.4 -1,-0.2 0.990 106.2 33.1 -55.4 -62.3 4.1 -21.7 5.1 472 422 B K H X S+ 0 0 24 -4,-0.8 3,-1.8 -5,-0.2 4,-0.9 0.974 104.8 44.6 -66.4 -56.5 3.5 -23.6 -1.2 476 426 B N H >< S+ 0 0 105 -4,-1.5 3,-1.3 -3,-0.3 -2,-0.2 0.917 107.1 59.1 -50.1 -50.9 1.0 -26.1 -2.6 477 427 B E T 3< S+ 0 0 69 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.553 102.4 57.6 -62.5 -6.6 -1.3 -23.3 -3.8 478 428 B L T <4 S+ 0 0 57 -3,-1.8 -1,-0.3 -5,-0.3 -2,-0.2 0.801 103.4 53.2 -91.2 -33.7 1.6 -22.1 -5.9 479 429 B R S << S- 0 0 70 -3,-1.3 2,-0.3 -4,-0.9 -2,-0.1 0.855 90.6-102.8 -72.0-112.0 2.1 -25.3 -7.9 480 430 B S 0 0 100 -4,-0.1 -1,-0.2 0, 0.0 -2,-0.1 -0.924 360.0 360.0-165.0-179.6 -0.7 -27.1 -9.8 481 431 B F 0 0 261 -2,-0.3 -2,-0.0 0, 0.0 0, 0.0 0.189 360.0 360.0 84.4 360.0 -3.1 -30.1 -9.7