==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-JAN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 18-OCT-11 3U9C . COMPND 2 MOLECULE: CASEIN KINASE II SUBUNIT ALPHA; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR K.KLOPFFLEISCH,O.-G.ISSINGER,K.NIEFIND . 662 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32010.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 422 63.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 1.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 80 12.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 0.9 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 . 48 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 79 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 184 27.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.5 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 8 2 0 2 2 0 0 2 2 0 2 2 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 1 2 0 2 4 2 0 2 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 2 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 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 0 166 0, 0.0 260,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -36.2 53.6 35.4 54.5 2 3 A G - 0 0 40 259,-0.1 2,-0.1 2,-0.1 260,-0.0 -0.055 360.0 -56.6 99.4 157.4 53.1 31.7 53.7 3 4 A P - 0 0 72 0, 0.0 258,-0.3 0, 0.0 259,-0.1 -0.387 53.9-110.0 -72.1 145.4 50.3 29.7 52.2 4 5 A V - 0 0 59 256,-3.4 2,-0.1 -2,-0.1 -2,-0.1 -0.585 37.3-123.0 -72.7 128.5 46.8 29.7 53.8 5 6 A P - 0 0 82 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.400 30.3-168.5 -74.7 153.9 46.0 26.4 55.4 6 7 A S - 0 0 5 201,-0.2 178,-0.4 -2,-0.1 2,-0.3 -0.948 9.3-155.5-139.5 158.8 43.0 24.4 54.3 7 8 A R - 0 0 103 -2,-0.3 2,-0.3 176,-0.1 202,-0.1 -0.864 32.9 -90.7-129.6 165.2 41.0 21.4 55.4 8 9 A A - 0 0 7 -2,-0.3 4,-0.2 1,-0.1 5,-0.1 -0.571 22.8-141.7 -78.5 137.3 38.6 18.8 53.8 9 10 A R S S+ 0 0 111 -2,-0.3 2,-0.3 2,-0.1 3,-0.2 0.808 87.3 28.3 -65.6 -30.8 34.9 19.7 53.7 10 11 A V S S+ 0 0 50 1,-0.2 200,-0.2 2,-0.1 -1,-0.0 -0.913 120.6 16.2-131.5 158.2 34.1 16.0 54.4 11 12 A Y S S+ 0 0 65 -2,-0.3 3,-0.2 1,-0.1 4,-0.2 0.845 76.8 148.7 51.4 41.1 35.8 13.0 56.0 12 13 A T + 0 0 32 1,-0.2 3,-0.3 -4,-0.2 4,-0.1 0.955 69.9 21.0 -72.5 -54.0 38.1 15.4 57.8 13 14 A D S > S+ 0 0 79 1,-0.2 4,-1.5 2,-0.1 -1,-0.2 0.077 85.3 117.2-107.3 22.0 38.9 13.7 61.1 14 15 A V T 4 S+ 0 0 34 -3,-0.2 -1,-0.2 1,-0.2 -2,-0.1 0.820 79.4 46.3 -60.9 -34.1 38.0 10.1 60.2 15 16 A N T >4 S+ 0 0 1 166,-0.4 3,-1.1 -3,-0.3 -1,-0.2 0.815 105.4 59.7 -78.4 -32.0 41.5 8.9 60.7 16 17 A T T 34 S+ 0 0 89 1,-0.3 -2,-0.2 -4,-0.1 -1,-0.2 0.864 103.6 51.7 -62.5 -36.9 42.0 10.6 64.0 17 18 A H T 3< S+ 0 0 154 -4,-1.5 -1,-0.3 2,-0.0 -2,-0.2 0.423 100.3 82.6 -83.8 1.4 39.0 8.7 65.5 18 19 A R S < S- 0 0 92 -3,-1.1 5,-0.1 1,-0.1 -3,-0.0 -0.751 92.8 -92.6-102.3 154.2 40.6 5.4 64.3 19 20 A P >> - 0 0 83 0, 0.0 3,-1.3 0, 0.0 4,-0.6 -0.202 37.9-108.5 -60.9 155.4 43.3 3.5 66.2 20 21 A R H >> S+ 0 0 139 1,-0.2 4,-2.7 2,-0.2 3,-1.4 0.912 114.1 65.1 -47.5 -55.3 46.9 4.1 65.4 21 22 A E H 34 S+ 0 0 103 1,-0.3 -1,-0.2 2,-0.2 6,-0.0 0.722 93.2 64.2 -43.2 -32.6 47.4 0.8 63.6 22 23 A Y H <4 S+ 0 0 19 -3,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.912 120.8 13.7 -63.0 -46.7 44.9 1.8 60.9 23 24 A W H << S+ 0 0 80 -3,-1.4 2,-1.7 -4,-0.6 -2,-0.2 0.619 104.3 86.5-110.9 -18.1 46.9 4.7 59.4 24 25 A D >< + 0 0 46 -4,-2.7 3,-1.1 1,-0.2 4,-0.2 -0.587 51.1 167.2 -83.5 78.8 50.4 4.2 60.9 25 26 A Y G > + 0 0 24 -2,-1.7 3,-1.0 1,-0.3 -1,-0.2 0.653 62.0 72.8 -73.9 -16.7 51.5 1.9 58.1 26 27 A E G 3 S+ 0 0 104 1,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.822 99.0 48.2 -65.2 -30.4 55.2 2.0 59.0 27 28 A S G < S+ 0 0 71 -3,-1.1 2,-0.4 2,-0.1 -1,-0.2 0.433 87.6 116.3 -89.0 -0.8 54.5 -0.1 62.1 28 29 A H < - 0 0 30 -3,-1.0 2,-0.4 -4,-0.2 54,-0.1 -0.554 56.7-147.0 -75.2 126.8 52.5 -2.6 60.0 29 30 A V - 0 0 110 -2,-0.4 2,-0.5 49,-0.0 -2,-0.1 -0.763 10.9-139.8 -94.3 139.4 54.0 -6.1 59.9 30 31 A V - 0 0 18 -2,-0.4 2,-0.7 2,-0.0 48,-0.0 -0.859 0.3-146.5-107.3 128.3 53.5 -8.1 56.7 31 32 A E - 0 0 160 -2,-0.5 2,-0.4 69,-0.0 68,-0.3 -0.827 24.8-147.5 -90.9 117.5 52.7 -11.9 56.7 32 33 A W - 0 0 108 -2,-0.7 68,-0.2 66,-0.1 2,-0.1 -0.713 10.9-161.4 -97.0 131.9 54.4 -13.4 53.6 33 34 A G E -a 100 0A 30 66,-3.0 68,-0.9 -2,-0.4 2,-0.4 -0.231 29.8 -94.2 -89.1-172.9 53.2 -16.3 51.5 34 35 A N E > -a 101 0A 93 66,-0.2 3,-1.5 1,-0.1 68,-0.1 -0.912 11.0-147.0-113.3 134.4 55.2 -18.4 49.1 35 36 A Q G > S+ 0 0 13 66,-0.6 3,-3.0 -2,-0.4 -1,-0.1 0.752 94.5 78.4 -68.9 -22.4 55.5 -17.9 45.3 36 37 A D G 3 S+ 0 0 110 1,-0.3 -1,-0.3 3,-0.1 3,-0.1 0.457 85.7 63.4 -65.3 1.0 55.7 -21.6 44.9 37 38 A D G < S+ 0 0 55 -3,-1.5 21,-1.1 1,-0.1 2,-0.4 0.455 104.2 56.3 -96.6 -6.9 51.9 -21.4 45.3 38 39 A Y E < -B 57 0A 21 -3,-3.0 2,-0.5 19,-0.2 19,-0.2 -0.969 63.8-160.2-130.3 141.7 51.7 -19.4 42.2 39 40 A Q E -B 56 0A 113 17,-2.2 17,-2.5 -2,-0.4 2,-0.4 -0.982 22.4-129.3-121.4 126.5 52.8 -19.9 38.5 40 41 A L E +B 55 0A 73 -2,-0.5 15,-0.3 15,-0.2 3,-0.1 -0.586 26.2 177.6 -75.1 125.5 53.2 -17.0 36.2 41 42 A V E - 0 0 92 13,-2.9 2,-0.3 -2,-0.4 14,-0.2 0.913 59.4 -21.0 -91.4 -58.0 51.3 -17.5 32.9 42 43 A R E -B 54 0A 139 12,-1.4 12,-3.3 0, 0.0 2,-0.4 -0.994 64.7 -99.5-155.3 152.2 51.9 -14.4 30.9 43 44 A K E -B 53 0A 92 -2,-0.3 10,-0.3 10,-0.3 3,-0.1 -0.626 24.5-169.7 -76.1 125.5 52.8 -10.7 31.3 44 45 A L E - 0 0 30 8,-2.2 2,-0.2 -2,-0.4 9,-0.2 0.743 64.3 -46.3 -85.5 -26.1 49.8 -8.4 31.2 45 46 A G E -B 52 0A 29 7,-1.5 7,-2.4 2,-0.0 -1,-0.4 -0.862 52.5-105.5 166.3 160.8 51.9 -5.3 31.0 46 47 A R - 0 0 170 -2,-0.2 2,-0.3 5,-0.2 5,-0.2 -0.472 32.2-175.0 -98.5 172.9 54.9 -3.4 32.3 47 48 A G - 0 0 30 3,-0.3 -2,-0.0 -2,-0.2 0, 0.0 -0.958 39.1-108.4-158.8 174.6 55.0 -0.3 34.6 48 49 A K S S+ 0 0 164 -2,-0.3 3,-0.1 1,-0.1 -1,-0.1 0.714 119.3 25.1 -82.6 -22.0 57.1 2.3 36.2 49 50 A Y S S+ 0 0 113 1,-0.3 21,-3.5 20,-0.0 2,-0.3 0.506 130.4 2.2-118.7 -11.3 56.7 0.8 39.7 50 51 A S E - C 0 69A 8 19,-0.3 2,-0.4 59,-0.0 -1,-0.3 -0.990 59.9-116.5-167.1 162.1 56.0 -2.8 39.0 51 52 A E E - C 0 68A 45 17,-2.3 17,-2.2 -2,-0.3 2,-0.5 -0.935 29.5-147.2-109.8 141.1 55.5 -5.6 36.4 52 53 A V E +BC 45 67A 38 -7,-2.4 -8,-2.2 -2,-0.4 -7,-1.5 -0.915 17.8 177.7-116.0 130.5 52.1 -7.3 36.1 53 54 A F E -BC 43 66A 30 13,-2.7 13,-2.4 -2,-0.5 2,-0.5 -0.959 31.5-124.2-128.8 145.1 51.5 -10.9 35.2 54 55 A E E -BC 42 65A 24 -12,-3.3 -13,-2.9 -2,-0.4 -12,-1.4 -0.772 44.8-179.0 -79.7 131.2 48.5 -13.2 34.8 55 56 A A E -BC 40 64A 1 9,-2.7 9,-3.7 -2,-0.5 2,-0.3 -0.916 24.8-131.7-136.6 159.7 49.1 -16.1 37.2 56 57 A I E -BC 39 63A 38 -17,-2.5 -17,-2.2 -2,-0.3 2,-0.8 -0.854 16.9-132.6-112.4 145.3 47.5 -19.4 38.3 57 58 A N E >>> -BC 38 62A 20 5,-1.7 2,-2.4 -2,-0.3 3,-1.9 -0.842 11.8-155.3 -99.8 102.7 47.0 -20.6 41.9 58 59 A I T 345S+ 0 0 76 -21,-1.1 -20,-0.1 -2,-0.8 -1,-0.1 -0.122 86.9 61.7 -74.1 45.7 48.2 -24.2 42.1 59 60 A T T 345S+ 0 0 100 -2,-2.4 -1,-0.3 -22,-0.1 -21,-0.1 0.415 126.7 6.4-136.6 -23.8 46.0 -24.9 45.1 60 61 A N T <45S- 0 0 77 -3,-1.9 -2,-0.2 2,-0.1 3,-0.1 0.205 95.4-117.5-145.5 10.3 42.6 -24.3 43.5 61 62 A N T <5 + 0 0 133 -4,-1.9 2,-0.4 1,-0.2 -3,-0.2 0.799 61.8 154.9 52.5 34.3 43.5 -23.7 39.9 62 63 A E E < -C 57 0A 106 -5,-0.8 -5,-1.7 1,-0.0 2,-0.2 -0.785 45.0-121.7 -98.7 133.4 42.1 -20.2 40.1 63 64 A K E +C 56 0A 118 -2,-0.4 51,-0.8 -7,-0.2 2,-0.2 -0.516 40.7 166.7 -72.2 132.3 43.4 -17.4 37.9 64 65 A V E -CD 55 113A 8 -9,-3.7 -9,-2.7 -2,-0.2 2,-0.5 -0.794 34.1-115.3-134.7 178.4 44.9 -14.4 39.7 65 66 A V E -CD 54 112A 19 47,-2.5 47,-3.4 -2,-0.2 2,-0.5 -0.977 22.7-159.4-124.0 120.5 46.9 -11.3 39.0 66 67 A V E -CD 53 111A 0 -13,-2.4 -13,-2.7 -2,-0.5 2,-0.7 -0.848 1.8-163.2-101.6 129.5 50.4 -10.9 40.4 67 68 A K E -CD 52 110A 14 43,-3.8 43,-1.7 -2,-0.5 2,-0.8 -0.865 8.2-156.4-113.9 96.7 52.0 -7.4 40.7 68 69 A I E -CD 51 109A 18 -17,-2.2 -17,-2.3 -2,-0.7 41,-0.2 -0.622 19.4-137.5 -76.9 109.3 55.7 -7.8 41.2 69 70 A L E -C 50 0A 8 39,-1.8 -19,-0.3 -2,-0.8 3,-0.1 -0.393 8.6-131.0 -71.1 137.7 56.8 -4.5 42.9 70 71 A K - 0 0 68 -21,-3.5 2,-0.1 1,-0.1 -1,-0.1 -0.532 49.4 -70.2 -80.4 156.0 59.9 -2.8 41.7 71 72 A P S S+ 0 0 125 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.270 73.7 148.4 -51.7 113.9 62.4 -1.6 44.4 72 73 A V - 0 0 58 -2,-0.1 5,-0.1 -3,-0.1 -3,-0.0 -0.954 56.7 -63.7-145.9 156.6 60.8 1.2 46.3 73 74 A K >> - 0 0 148 -2,-0.3 4,-1.2 1,-0.1 3,-1.1 -0.125 47.8-122.6 -47.8 132.8 61.1 2.4 50.0 74 75 A K H 3> S+ 0 0 168 1,-0.3 4,-2.5 2,-0.2 3,-0.5 0.825 108.8 54.7 -45.5 -46.1 59.7 -0.1 52.4 75 76 A K H 3> S+ 0 0 94 1,-0.3 4,-2.3 2,-0.2 -1,-0.3 0.841 103.5 55.7 -64.7 -32.5 57.1 2.2 54.0 76 77 A K H <> S+ 0 0 83 -3,-1.1 4,-1.9 2,-0.2 -1,-0.3 0.826 109.6 47.7 -66.9 -30.8 55.6 2.9 50.6 77 78 A I H X S+ 0 0 18 -4,-1.2 4,-2.4 -3,-0.5 -2,-0.2 0.932 112.5 46.9 -72.8 -48.3 55.1 -0.8 50.1 78 79 A K H X S+ 0 0 62 -4,-2.5 4,-3.3 2,-0.2 5,-0.2 0.846 110.4 56.5 -58.5 -35.9 53.6 -1.2 53.6 79 80 A R H X S+ 0 0 22 -4,-2.3 4,-2.9 -5,-0.2 5,-0.2 0.961 108.8 43.1 -61.8 -54.7 51.4 1.8 52.7 80 81 A E H X S+ 0 0 12 -4,-1.9 4,-2.1 1,-0.2 -2,-0.2 0.893 117.1 49.1 -58.5 -40.9 50.0 0.3 49.6 81 82 A I H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.944 113.0 45.1 -63.3 -50.3 49.5 -3.0 51.4 82 83 A K H X S+ 0 0 29 -4,-3.3 4,-2.4 1,-0.2 -2,-0.2 0.910 113.4 50.2 -61.7 -45.3 47.8 -1.4 54.4 83 84 A I H X S+ 0 0 0 -4,-2.9 4,-2.2 1,-0.2 -1,-0.2 0.893 110.0 51.1 -60.1 -41.9 45.6 0.8 52.3 84 85 A L H X S+ 0 0 1 -4,-2.1 4,-0.6 -5,-0.2 12,-0.3 0.879 111.9 46.9 -62.7 -39.6 44.6 -2.3 50.2 85 86 A E H < S+ 0 0 60 -4,-2.1 -2,-0.2 2,-0.2 -1,-0.2 0.855 113.4 48.6 -71.4 -35.8 43.7 -4.2 53.4 86 87 A N H < S+ 0 0 22 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.836 117.1 40.7 -71.5 -34.5 41.7 -1.3 54.8 87 88 A L H >< S+ 0 0 0 -4,-2.2 3,-2.2 -5,-0.2 -1,-0.2 0.483 86.6 129.1 -92.1 -5.0 39.8 -0.8 51.6 88 89 A R T 3< S+ 0 0 101 -4,-0.6 7,-0.1 1,-0.3 6,-0.1 -0.282 73.5 19.9 -57.4 127.9 39.3 -4.5 51.0 89 90 A G T 3 S+ 0 0 68 1,-0.3 -1,-0.3 4,-0.3 3,-0.1 0.285 94.9 135.9 95.3 -8.6 35.7 -5.4 50.4 90 91 A G X - 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0 0 7 -5,-4.2 3,-0.2 1,-0.1 -1,-0.2 -0.939 18.1-169.9-110.6 107.5 49.9 24.4 107.6 538 207 B Q + 0 0 70 -2,-0.6 -19,-3.6 1,-0.2 2,-0.9 0.619 66.6 76.2 -81.4 -15.2 50.8 21.5 109.9 539 208 B M + 0 0 24 -21,-0.2 -1,-0.2 -7,-0.1 -201,-0.2 -0.334 66.6 137.3 -94.7 54.7 47.8 21.5 112.3 540 209 B Y - 0 0 1 -2,-0.9 2,-0.2 -3,-0.2 -200,-0.1 -0.284 28.8-172.0 -88.9 179.1 45.2 19.9 110.1 541 210 B D > - 0 0 10 -202,-0.1 3,-2.1 -2,-0.1 4,-0.3 -0.599 51.0 -40.2-147.0-153.3 42.7 17.2 110.9 542 211 B Y T >> S+ 0 0 6 1,-0.3 3,-1.6 -200,-0.2 4,-0.7 0.768 116.0 78.9 -55.7 -29.0 40.0 14.9 109.5 543 212 B S H 3> S+ 0 0 10 1,-0.3 4,-1.3 2,-0.2 -1,-0.3 0.696 77.4 73.3 -55.6 -22.7 38.9 17.6 107.1 544 213 B L H <> S+ 0 0 0 -3,-2.1 4,-1.6 1,-0.2 3,-0.4 0.901 93.4 52.1 -58.4 -43.2 41.9 16.8 104.9 545 214 B D H <> S+ 0 0 0 -3,-1.6 4,-2.1 -4,-0.3 -1,-0.2 0.803 102.4 60.5 -64.2 -30.3 40.2 13.6 103.7 546 215 B M H X S+ 0 0 2 -4,-0.7 4,-2.1 -3,-0.2 -1,-0.2 0.862 102.7 50.6 -67.8 -36.8 37.1 15.6 102.8 547 216 B W H X S+ 0 0 0 -4,-1.3 4,-2.3 -3,-0.4 -1,-0.2 0.931 110.0 49.8 -63.6 -47.3 39.1 17.7 100.3 548 217 B S H X S+ 0 0 0 -4,-1.6 4,-1.5 1,-0.2 -2,-0.2 0.876 110.5 50.7 -58.2 -40.0 40.5 14.5 98.7 549 218 B L H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.889 108.1 52.8 -63.9 -40.8 37.0 13.2 98.5 550 219 B G H X S+ 0 0 0 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.887 106.0 53.1 -60.3 -41.4 35.9 16.4 96.8 551 220 B C H X S+ 0 0 4 -4,-2.3 4,-1.7 1,-0.2 12,-0.4 0.838 110.8 47.4 -63.7 -34.0 38.7 16.0 94.3 552 221 B M H X S+ 0 0 0 -4,-1.5 4,-1.8 2,-0.2 -2,-0.2 0.917 110.8 50.7 -71.6 -45.5 37.4 12.5 93.5 553 222 B L H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 5,-0.3 0.906 110.1 50.4 -57.9 -45.8 33.8 13.7 93.2 554 223 B A H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 6,-0.2 0.929 109.1 50.9 -57.7 -49.0 34.8 16.5 90.8 555 224 B S H <>S+ 0 0 4 -4,-1.7 5,-1.5 1,-0.2 4,-0.4 0.826 113.8 46.0 -59.7 -33.9 36.7 14.0 88.6 556 225 B M H <5S+ 0 0 8 -4,-1.8 -2,-0.2 3,-0.2 -1,-0.2 0.933 117.1 38.6 -76.9 -48.5 33.7 11.7 88.5 557 226 B I H <5S+ 0 0 0 -4,-2.5 66,-0.3 1,-0.2 -2,-0.2 0.770 124.7 39.5 -77.6 -26.1 30.9 14.1 87.8 558 227 B F T <5S- 0 0 2 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.465 103.5-128.3 -99.0 -3.7 32.9 16.3 85.4 559 228 B R T 5 + 0 0 105 -4,-0.4 2,-0.3 -5,-0.2 -3,-0.2 0.942 65.9 131.0 52.3 53.0 34.7 13.4 83.7 560 229 B K < - 0 0 90 -5,-1.5 -1,-0.2 -6,-0.2 -2,-0.1 -0.828 49.4-144.4-140.1 96.5 38.1 15.0 84.3 561 230 B E S S+ 0 0 84 -2,-0.3 2,-0.1 1,-0.2 -9,-0.0 -0.912 90.6 16.2-108.9 113.2 40.8 12.9 85.9 562 231 B P S S- 0 0 16 0, 0.0 3,-0.2 0, 0.0 -1,-0.2 0.655 74.6-165.4 -89.8 166.3 42.4 14.6 87.7 563 232 B F S S+ 0 0 9 -12,-0.4 2,-0.9 1,-0.3 -2,-0.1 0.950 88.6 42.9 -74.2 -51.4 40.3 17.7 88.3 564 233 B F S S- 0 0 2 -37,-0.3 2,-1.1 -13,-0.1 -1,-0.3 -0.829 77.8-174.6 -95.8 99.9 43.2 19.8 89.7 565 234 B H + 0 0 81 -2,-0.9 2,-0.2 -3,-0.2 -38,-0.1 -0.686 11.3 170.2-102.5 81.9 46.1 18.9 87.3 566 235 B G - 0 0 0 -2,-1.1 6,-0.1 1,-0.1 3,-0.1 -0.562 34.7-142.9 -90.8 155.6 49.2 20.6 88.7 567 236 B H S S- 0 0 119 -2,-0.2 2,-0.2 1,-0.0 -1,-0.1 0.884 82.4 -6.6 -82.5 -43.5 52.7 20.1 87.6 568 237 B D S > S- 0 0 77 -42,-0.1 4,-1.4 0, 0.0 5,-0.1 -0.649 89.6 -79.2-133.6-165.3 54.3 20.3 91.0 569 238 B N H > S+ 0 0 68 -2,-0.2 4,-0.7 2,-0.2 -3,-0.0 0.756 129.3 45.8 -73.7 -24.1 53.3 21.1 94.6 570 239 B Y H >> S+ 0 0 65 2,-0.2 4,-1.1 1,-0.1 3,-0.5 0.907 112.6 47.4 -81.0 -47.2 53.4 24.8 93.9 571 240 B D H 3> S+ 0 0 28 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.775 102.5 67.6 -65.3 -27.8 51.5 24.7 90.5 572 241 B Q H 3X S+ 0 0 0 -4,-1.4 4,-1.6 1,-0.2 -1,-0.2 0.909 99.8 47.5 -58.4 -45.1 48.9 22.5 92.2 573 242 B L H X S+ 0 0 0 -4,-1.6 4,-3.5 1,-0.2 3,-1.6 0.917 110.6 53.0 -68.7 -45.3 43.1 25.3 92.6 577 246 B A H 3X S+ 0 0 0 -4,-2.8 4,-1.1 1,-0.3 -2,-0.2 0.814 102.0 59.9 -60.5 -32.1 43.4 29.1 92.8 578 247 B K H 3< S+ 0 0 96 -4,-2.2 -1,-0.3 2,-0.1 -2,-0.2 0.628 119.7 28.3 -71.5 -13.2 42.3 29.2 89.1 579 248 B V H <4 S+ 0 0 14 -3,-1.6 31,-2.3 -4,-0.3 -2,-0.2 0.778 127.6 36.8-110.0 -54.0 39.0 27.5 90.1 580 249 B L H < S-Q 609 0G 8 -4,-3.5 4,-0.4 29,-0.2 29,-0.2 0.501 111.7-116.2 -82.0 -4.6 38.3 28.5 93.8 581 250 B G X - 0 0 1 -4,-1.1 4,-0.6 27,-0.5 27,-0.2 0.299 8.9-108.1 82.2 148.5 39.6 32.0 93.3 582 251 B T H > S+ 0 0 8 25,-2.3 4,-2.2 1,-0.2 5,-0.2 0.675 107.6 73.6 -83.0 -18.7 42.6 33.7 94.9 583 252 B E H > S+ 0 0 134 24,-0.7 4,-1.2 1,-0.2 -1,-0.2 0.937 100.9 40.4 -62.1 -49.6 40.4 35.9 97.1 584 253 B D H > S+ 0 0 73 -4,-0.4 4,-1.9 1,-0.2 -1,-0.2 0.803 111.4 62.6 -67.6 -29.3 39.3 33.1 99.4 585 254 B L H X S+ 0 0 1 -4,-0.6 4,-2.2 2,-0.2 3,-0.3 0.967 105.2 40.8 -61.6 -58.1 42.9 31.8 99.4 586 255 B Y H X S+ 0 0 75 -4,-2.2 4,-2.9 1,-0.2 -1,-0.2 0.785 113.1 56.5 -64.4 -27.9 44.6 34.9 100.9 587 256 B D H X S+ 0 0 86 -4,-1.2 4,-2.6 -5,-0.2 -1,-0.2 0.860 106.8 49.4 -68.7 -36.8 41.7 35.2 103.4 588 257 B Y H X S+ 0 0 5 -4,-1.9 4,-1.6 -3,-0.3 -2,-0.2 0.901 113.1 47.2 -64.8 -43.1 42.5 31.6 104.4 589 258 B I H X>S+ 0 0 17 -4,-2.2 5,-2.1 1,-0.2 4,-0.6 0.931 114.1 47.3 -60.6 -48.4 46.1 32.6 104.8 590 259 B D H ><5S+ 0 0 126 -4,-2.9 3,-0.6 3,-0.2 -2,-0.2 0.894 108.5 55.0 -61.4 -44.3 45.2 35.7 106.7 591 260 B K H 3<5S+ 0 0 103 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.898 119.3 30.7 -58.6 -45.7 42.8 33.9 109.0 592 261 B Y H 3<5S- 0 0 4 -4,-1.6 -256,-3.0 -5,-0.1 -1,-0.2 0.337 106.1-123.3 -99.0 6.8 45.3 31.3 110.2 593 262 B N T <<5 - 0 0 73 -3,-0.6 2,-0.4 -4,-0.6 -3,-0.2 0.932 42.0-173.5 51.2 55.1 48.3 33.7 109.8 594 263 B I < - 0 0 13 -5,-2.1 2,-1.0 -6,-0.1 -1,-0.2 -0.676 27.6-128.5 -87.8 127.0 50.1 31.3 107.5 595 264 B E - 0 0 166 -2,-0.4 2,-0.3 -59,-0.2 -1,-0.1 -0.624 32.7-151.4 -72.0 102.2 53.7 32.0 106.4 596 265 B L - 0 0 23 -2,-1.0 -61,-0.1 1,-0.1 -60,-0.1 -0.578 18.5-107.0 -82.7 137.7 53.3 31.7 102.7 597 266 B D >> - 0 0 58 -2,-0.3 3,-1.3 1,-0.1 4,-0.7 -0.415 24.7-126.7 -62.3 132.4 56.3 30.6 100.5 598 267 B P T 34 S+ 0 0 92 0, 0.0 4,-0.3 0, 0.0 3,-0.2 0.711 105.2 67.9 -53.1 -26.4 57.7 33.6 98.5 599 268 B R T >> S+ 0 0 161 1,-0.2 3,-1.5 2,-0.2 4,-1.1 0.884 92.2 58.7 -62.5 -41.6 57.4 31.5 95.3 600 269 B F H <> S+ 0 0 5 -3,-1.3 4,-3.1 1,-0.3 5,-0.4 0.861 91.0 68.6 -57.3 -40.9 53.6 31.6 95.4 601 270 B N H 3< S+ 0 0 91 -4,-0.7 -1,-0.3 1,-0.2 4,-0.2 0.639 104.8 43.9 -57.2 -15.5 53.4 35.4 95.3 602 271 B D H <4 S+ 0 0 141 -3,-1.5 -1,-0.2 -4,-0.3 -2,-0.2 0.800 121.4 33.8 -96.6 -37.1 54.6 35.3 91.7 603 272 B I H < S+ 0 0 90 -4,-1.1 -2,-0.2 -3,-0.3 -3,-0.1 0.731 111.7 59.2 -96.7 -25.5 52.6 32.4 90.2 604 273 B L < + 0 0 1 -4,-3.1 2,-0.2 -5,-0.2 -3,-0.1 0.998 68.9 147.8 -66.1 -67.0 49.3 32.8 92.1 605 274 B G - 0 0 36 -5,-0.4 2,-0.4 -4,-0.2 -1,-0.1 -0.480 59.5 -31.8 71.1-131.3 48.4 36.3 91.1 606 275 B R + 0 0 232 -2,-0.2 2,-0.3 -25,-0.0 -1,-0.0 -0.992 60.8 162.1-133.5 129.5 44.6 37.0 90.8 607 276 B H - 0 0 49 -2,-0.4 -25,-2.3 -30,-0.1 -24,-0.7 -0.998 30.6-123.0-145.5 144.8 41.8 34.7 89.8 608 277 B S - 0 0 79 -2,-0.3 2,-0.9 -27,-0.2 -27,-0.5 -0.480 35.1-100.2 -85.3 156.3 38.0 34.7 90.2 609 278 B R B -Q 580 0G 149 -29,-0.2 -29,-0.2 -2,-0.2 -30,-0.1 -0.674 46.8-139.5 -78.0 107.3 36.0 32.0 91.8 610 279 B K - 0 0 32 -31,-2.3 2,-0.2 -2,-0.9 -31,-0.0 -0.320 8.4-118.7 -71.2 147.0 34.7 30.0 88.9 611 280 B R > - 0 0 179 1,-0.1 3,-1.4 -2,-0.0 4,-0.4 -0.573 19.5-125.2 -80.0 149.3 31.1 28.6 88.7 612 281 B W G > S+ 0 0 23 1,-0.3 3,-0.5 -2,-0.2 4,-0.3 0.652 102.3 79.5 -71.6 -15.2 30.8 24.8 88.4 613 282 B E G 3 S+ 0 0 136 1,-0.2 3,-0.3 2,-0.2 -1,-0.3 0.630 82.8 67.7 -65.0 -13.4 28.7 25.3 85.2 614 283 B R G < S+ 0 0 177 -3,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.918 96.7 48.5 -74.9 -45.3 32.0 25.8 83.4 615 284 B F S < S+ 0 0 38 -3,-0.5 2,-0.5 -4,-0.4 -1,-0.2 0.454 92.8 101.1 -76.4 -0.3 33.2 22.3 83.8 616 285 B V + 0 0 44 -3,-0.3 2,-0.3 -4,-0.3 -58,-0.1 -0.747 46.4 157.2 -89.6 130.0 29.9 20.9 82.6 617 286 B H >> - 0 0 89 -2,-0.5 3,-1.7 -59,-0.0 4,-0.8 -0.886 56.8 -82.4-143.1 175.9 29.6 19.7 79.0 618 287 B S T 34 S+ 0 0 91 1,-0.3 3,-0.3 -2,-0.3 4,-0.3 0.744 122.4 55.3 -52.5 -30.8 27.6 17.4 76.8 619 288 B E T 34 S+ 0 0 120 1,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.746 117.3 31.8 -77.4 -24.8 29.5 14.3 77.9 620 289 B N T X> S+ 0 0 0 -3,-1.7 3,-1.3 1,-0.1 4,-1.1 0.259 82.6 107.1-119.1 11.4 29.0 14.7 81.6 621 290 B Q T 3< S+ 0 0 118 -4,-0.8 3,-0.4 -3,-0.3 -1,-0.1 0.857 77.1 57.9 -57.9 -38.2 25.6 16.4 81.9 622 291 B H T 34 S+ 0 0 115 -4,-0.3 -1,-0.3 1,-0.2 -161,-0.2 0.645 108.1 47.0 -71.7 -14.5 23.9 13.2 83.1 623 292 B L T <4 S+ 0 0 6 -3,-1.3 2,-0.4 -66,-0.3 -1,-0.2 0.665 99.3 81.4 -97.1 -22.4 26.3 13.1 86.1 624 293 B V < + 0 0 25 -4,-1.1 -163,-0.0 -3,-0.4 3,-0.0 -0.724 52.4 159.1 -92.6 132.7 25.9 16.7 87.1 625 294 B S > - 0 0 16 -2,-0.4 4,-2.6 1,-0.1 5,-0.3 -0.958 54.2-106.0-143.1 159.5 23.0 18.0 89.1 626 295 B P H > S+ 0 0 107 0, 0.0 4,-1.7 0, 0.0 5,-0.1 0.816 123.9 51.9 -53.4 -32.7 22.2 21.0 91.3 627 296 B E H > S+ 0 0 75 2,-0.2 4,-2.4 1,-0.2 27,-0.3 0.898 108.9 49.1 -70.6 -42.8 22.6 18.7 94.3 628 297 B A H > S+ 0 0 0 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.924 112.6 46.7 -62.3 -47.2 26.0 17.4 93.1 629 298 B L H X S+ 0 0 36 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.895 113.2 49.3 -63.7 -41.5 27.3 20.9 92.6 630 299 B D H X S+ 0 0 73 -4,-1.7 4,-1.1 -5,-0.3 -1,-0.2 0.907 114.9 44.4 -63.9 -43.2 26.1 22.1 95.9 631 300 B F H < S+ 0 0 0 -4,-2.4 4,-0.5 2,-0.2 3,-0.3 0.905 112.9 50.6 -67.6 -44.0 27.6 19.1 97.7 632 301 B L H >X S+ 0 0 0 -4,-3.0 4,-2.1 1,-0.2 3,-1.0 0.880 107.3 55.0 -60.8 -39.4 30.9 19.4 95.8 633 302 B D H 3< S+ 0 0 30 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.822 103.0 55.0 -65.5 -32.8 31.2 23.1 96.7 634 303 B K T 3< S+ 0 0 65 -4,-1.1 10,-1.5 -3,-0.3 -1,-0.3 0.549 111.0 46.6 -80.6 -7.7 30.8 22.4 100.4 635 304 B L T <4 S+ 0 0 0 -3,-1.0 2,-1.7 -4,-0.5 -2,-0.2 0.838 99.6 67.0 -94.1 -47.8 33.8 19.9 100.2 636 305 B L < + 0 0 0 -4,-2.1 2,-0.4 -86,-0.1 -1,-0.2 -0.562 69.7 136.7 -81.9 83.6 36.2 22.0 98.2 637 306 B R - 0 0 76 -2,-1.7 6,-0.1 1,-0.2 -90,-0.0 -0.987 53.7-142.9-129.5 139.2 37.1 24.9 100.6 638 307 B Y S S+ 0 0 7 -2,-0.4 2,-0.6 -58,-0.1 -106,-0.3 0.970 93.5 72.4 -58.8 -55.2 40.4 26.4 101.4 639 308 B D S >> S- 0 0 21 1,-0.2 3,-1.1 -3,-0.1 4,-0.7 -0.516 75.7-156.7 -63.4 112.2 39.4 26.8 105.1 640 309 B H T 34 S+ 0 0 2 -2,-0.6 3,-0.3 1,-0.3 -1,-0.2 0.753 91.8 58.1 -66.6 -24.2 39.5 23.2 106.3 641 310 B Q T 34 S+ 0 0 60 1,-0.2 -1,-0.3 -301,-0.1 -2,-0.1 0.700 99.2 59.6 -76.9 -19.8 37.0 24.1 109.1 642 311 B S T <4 S+ 0 0 55 -3,-1.1 -1,-0.2 2,-0.1 -2,-0.2 0.711 85.9 98.7 -79.5 -22.0 34.5 25.2 106.4 643 312 B R S < S- 0 0 2 -4,-0.7 -8,-0.2 -3,-0.3 -9,-0.1 -0.286 84.6-101.1 -66.2 150.8 34.4 21.8 104.8 644 313 B L - 0 0 28 -10,-1.5 2,-0.1 -13,-0.2 -1,-0.1 -0.376 33.9-119.4 -68.0 150.0 31.6 19.4 105.7 645 314 B T > - 0 0 17 1,-0.1 4,-2.4 -2,-0.1 5,-0.2 -0.471 30.1-104.9 -81.5 164.3 32.3 16.6 108.1 646 315 B A H > S+ 0 0 2 1,-0.2 4,-1.1 2,-0.2 -170,-0.2 0.865 123.3 47.7 -59.0 -37.7 31.9 13.0 107.0 647 316 B R H > S+ 0 0 148 2,-0.2 4,-0.5 1,-0.2 -1,-0.2 0.901 110.6 50.6 -69.7 -43.0 28.6 12.7 108.9 648 317 B E H >4 S+ 0 0 58 1,-0.2 3,-1.1 2,-0.2 4,-0.3 0.873 105.9 56.8 -61.1 -39.9 27.3 16.0 107.5 649 318 B A H >< S+ 0 0 0 -4,-2.4 3,-1.2 1,-0.3 -1,-0.2 0.855 102.0 55.7 -60.5 -36.7 28.1 14.9 104.0 650 319 B M H 3< S+ 0 0 32 -4,-1.1 -1,-0.3 1,-0.3 -2,-0.2 0.654 104.5 54.6 -71.3 -15.5 25.9 11.8 104.4 651 320 B E T << S+ 0 0 105 -3,-1.1 -1,-0.3 -4,-0.5 -2,-0.2 0.432 82.7 117.0 -97.6 -1.5 23.0 14.1 105.3 652 321 B H S X S- 0 0 14 -3,-1.2 3,-2.5 -4,-0.3 4,-0.2 -0.413 78.1-118.1 -70.5 142.3 23.3 16.1 102.1 653 322 B P G > S+ 0 0 53 0, 0.0 3,-1.5 0, 0.0 4,-0.4 0.704 108.7 77.0 -48.4 -26.4 20.3 16.0 99.7 654 323 B Y G 3 S+ 0 0 0 -27,-0.3 3,-0.2 1,-0.3 4,-0.1 0.757 100.6 39.9 -57.9 -26.6 22.7 14.5 97.1 655 324 B F G <> S+ 0 0 0 -3,-2.5 4,-2.7 -6,-0.2 3,-0.4 0.298 83.1 105.3-107.6 6.7 22.4 11.2 98.9 656 325 B Y H <> S+ 0 0 147 -3,-1.5 4,-1.8 1,-0.3 -1,-0.1 0.891 82.5 48.5 -54.4 -45.6 18.6 11.4 99.7 657 326 B T H > S+ 0 0 54 -4,-0.4 4,-1.3 1,-0.2 -1,-0.3 0.803 113.4 49.1 -65.6 -30.2 17.8 8.8 97.0 658 327 B V H > S+ 0 0 0 -3,-0.4 4,-1.5 2,-0.2 -2,-0.2 0.926 108.3 50.3 -75.4 -48.0 20.6 6.5 98.3 659 328 B V H X S+ 0 0 61 -4,-2.7 4,-0.5 1,-0.2 -2,-0.2 0.873 108.3 56.2 -57.7 -39.7 19.6 6.7 102.0 660 329 B K H >< S+ 0 0 155 -4,-1.8 3,-1.6 -5,-0.3 -1,-0.2 0.948 106.2 47.7 -56.1 -55.0 16.0 5.8 101.0 661 330 B D H 3< S+ 0 0 94 -4,-1.3 -1,-0.2 1,-0.3 -2,-0.2 0.779 104.8 60.4 -61.5 -29.6 16.9 2.6 99.2 662 331 B Q H 3< 0 0 85 -4,-1.5 -1,-0.3 -3,-0.0 -2,-0.2 0.632 360.0 360.0 -75.0 -12.9 19.1 1.4 102.1 663 332 B A << 0 0 119 -3,-1.6 -3,-0.1 -4,-0.5 -2,-0.0 0.187 360.0 360.0-107.5 360.0 16.0 1.5 104.3