==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 18-FEB-00 1EH4 . COMPND 2 MOLECULE: CASEIN KINASE-1; . SOURCE 2 ORGANISM_SCIENTIFIC: SCHIZOSACCHAROMYCES POMBE; . AUTHOR N.MASHHOON,A.J.DEMAGGIO,V.TERESHKO,S.C.BERGMEIER,M.EGLI, . 586 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27352.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 376 64.2 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 . 84 14.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 32 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 72 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 164 28.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.4 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 1 2 0 2 0 0 3 2 0 1 2 0 0 2 0 2 0 0 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 . 6 7 2 2 1 2 1 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 3 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 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 6 A N 0 0 182 0, 0.0 8,-0.6 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0-118.1 -24.7 88.8 83.2 2 7 A V E +A 8 0A 48 6,-0.2 6,-0.2 0, 0.0 2,-0.2 -0.893 360.0 169.5-157.4 122.9 -26.8 85.6 83.1 3 8 A V E > +A 7 0A 17 4,-1.1 4,-1.6 -2,-0.3 3,-0.1 -0.560 54.1 60.1-121.5-174.9 -29.7 84.5 80.8 4 9 A G T 4 S- 0 0 0 1,-0.2 2,-5.6 2,-0.2 -1,-0.2 0.884 107.9 -96.8 58.4 36.5 -31.7 81.4 80.0 5 10 A V T 4 S+ 0 0 116 1,-0.3 -1,-0.2 -3,-0.2 3,-0.0 0.012 120.8 25.4 47.0 -41.4 -32.8 81.5 83.6 6 11 A H T 4 S+ 0 0 49 -2,-5.6 21,-4.7 -3,-0.1 2,-0.5 0.231 102.8 93.8-130.7 13.7 -30.1 79.0 84.5 7 12 A Y E < -AB 3 26A 14 -4,-1.6 -4,-1.1 19,-0.3 2,-0.4 -0.936 55.9-161.1-110.3 122.8 -27.5 79.5 81.8 8 13 A K E -AB 2 25A 93 17,-1.7 17,-0.9 -2,-0.5 -6,-0.2 -0.878 18.8-122.3-105.7 138.4 -24.7 81.9 82.5 9 14 A V - 0 0 26 -8,-0.6 15,-0.2 -2,-0.4 3,-0.1 -0.407 28.4-179.3 -77.6 150.1 -22.6 83.4 79.7 10 15 A G - 0 0 40 1,-0.4 14,-0.2 -2,-0.1 -1,-0.1 0.032 44.3 -30.7-118.4-134.4 -18.9 83.0 79.3 11 16 A R - 0 0 173 12,-0.4 12,-2.7 13,-0.1 2,-0.5 -0.366 68.2 -92.2 -87.0 170.0 -16.4 84.3 76.7 12 17 A R E -C 22 0B 138 10,-0.2 10,-0.3 1,-0.1 3,-0.1 -0.703 35.1-178.2 -83.9 126.7 -17.0 85.0 73.1 13 18 A I E - 0 0 74 8,-2.2 2,-0.3 -2,-0.5 9,-0.2 0.319 56.8 -73.2-105.6 6.4 -16.2 82.0 70.9 14 19 A G E -C 21 0B 28 7,-0.7 7,-3.4 2,-0.0 -1,-0.4 -0.806 44.3 -97.2 134.2-176.5 -17.0 83.6 67.6 15 20 A E - 0 0 135 5,-0.3 2,-0.3 -2,-0.3 5,-0.2 -0.880 26.2-148.4-136.4 168.0 -19.9 84.8 65.4 16 21 A G > - 0 0 20 -2,-0.3 2,-2.7 115,-0.0 3,-0.7 -0.944 46.3 -73.1-139.5 161.3 -21.7 83.3 62.6 17 22 A S T 3 S+ 0 0 58 -2,-0.3 134,-0.2 1,-0.2 -2,-0.0 -0.314 132.8 34.0 -54.6 80.4 -23.5 84.4 59.4 18 23 A F T 3 S- 0 0 50 -2,-2.7 -1,-0.2 131,-0.0 2,-0.2 -0.332 124.3 -42.7 165.3 -61.8 -26.3 85.7 61.8 19 24 A G S < S- 0 0 15 -3,-0.7 18,-0.1 19,-0.1 -2,-0.0 -0.790 71.0 -52.0 170.0 146.1 -24.8 87.0 65.0 20 25 A V - 0 0 38 -2,-0.2 17,-1.4 -5,-0.2 2,-0.4 0.370 39.8-151.4 -23.5 149.6 -22.2 86.4 67.8 21 26 A I E -CD 14 36B 33 -7,-3.4 -8,-2.2 15,-0.2 -7,-0.7 -0.987 9.1-169.1-135.0 120.1 -21.9 83.2 69.8 22 27 A F E -CD 12 35B 61 13,-2.8 13,-3.5 -2,-0.4 2,-1.0 -0.771 26.1-121.7-105.7 154.1 -20.7 83.1 73.5 23 28 A E + 0 0 34 -12,-2.7 -12,-0.4 -2,-0.3 11,-0.2 -0.756 42.2 174.0-102.1 94.8 -19.8 79.9 75.3 24 29 A G - 0 0 3 -2,-1.0 -15,-0.2 -14,-0.2 9,-0.2 0.411 22.9-132.6 -74.6-149.5 -22.0 79.7 78.3 25 30 A T E -B 8 0A 46 -17,-0.9 -17,-1.7 7,-0.3 7,-0.2 -0.616 21.3-115.3-177.6 111.5 -22.6 77.0 81.0 26 31 A N E >> -B 7 0A 16 5,-1.5 4,-1.2 -19,-0.2 3,-0.8 -0.279 21.1-144.6 -52.2 127.9 -25.8 75.6 82.4 27 32 A L T 34 S+ 0 0 83 -21,-4.7 -1,-0.2 1,-0.2 -20,-0.1 0.033 90.3 60.1 -86.5 27.0 -25.9 76.6 86.1 28 33 A L T 34 S+ 0 0 129 -22,-0.1 -1,-0.2 3,-0.1 -2,-0.1 0.169 119.5 11.1-140.2 19.7 -27.6 73.3 87.0 29 34 A N T <4 S- 0 0 92 -3,-0.8 -2,-0.1 2,-0.0 -3,-0.0 0.293 93.8-113.3-169.4 -18.9 -25.2 70.5 85.9 30 35 A N < + 0 0 140 -4,-1.2 2,-0.5 1,-0.2 -3,-0.1 0.781 63.9 146.6 76.9 29.7 -21.9 72.1 85.1 31 36 A Q - 0 0 70 -5,-0.3 -5,-1.5 1,-0.0 2,-0.3 -0.881 50.1-121.2-104.3 124.2 -22.1 71.3 81.4 32 37 A Q - 0 0 74 -2,-0.5 50,-1.0 -7,-0.2 -7,-0.3 -0.397 37.2-177.4 -64.8 121.1 -20.6 73.8 78.9 33 38 A V E - E 0 81B 2 -2,-0.3 2,-0.4 -9,-0.2 48,-0.2 -0.354 27.6-116.4-107.3-171.0 -23.1 75.1 76.3 34 39 A A E - E 0 80B 13 46,-3.0 46,-3.9 -11,-0.2 2,-0.5 -0.999 27.7-161.7-128.1 126.0 -23.1 77.4 73.3 35 40 A I E -DE 22 79B 0 -13,-3.5 -13,-2.8 -2,-0.4 2,-0.5 -0.961 1.6-162.5-118.0 127.4 -25.2 80.5 73.6 36 41 A K E -DE 21 78B 10 42,-2.8 42,-1.7 -2,-0.5 2,-0.3 -0.919 4.9-163.1-110.9 125.5 -26.2 82.5 70.6 37 42 A F E + E 0 77B 32 -17,-1.4 40,-0.2 -2,-0.5 38,-0.0 -0.789 11.1 173.4-105.4 152.2 -27.5 86.0 70.9 38 43 A E E - E 0 76B 2 38,-1.2 38,-1.8 -2,-0.3 -19,-0.1 -0.916 27.6-121.9-157.8 128.6 -29.4 87.9 68.3 39 44 A P E - E 0 75B 40 0, 0.0 2,-0.7 0, 0.0 36,-0.2 -0.177 23.8-119.9 -67.9 164.4 -31.1 91.4 68.5 40 45 A R S S+ 0 0 114 34,-1.2 2,-0.2 6,-0.1 4,-0.1 -0.890 71.5 79.1-110.6 102.2 -34.8 91.9 67.9 41 46 A R S S- 0 0 173 2,-1.4 33,-0.0 -2,-0.7 0, 0.0 -0.584 96.2 -11.7-162.1-137.6 -35.3 94.3 64.9 42 47 A S S S+ 0 0 106 -2,-0.2 2,-0.2 2,-0.1 -2,-0.0 0.896 122.5 71.6 -49.8 -42.7 -35.2 94.4 61.1 43 48 A D + 0 0 43 1,-0.1 -2,-1.4 2,-0.1 -5,-0.0 -0.483 47.9 152.6 -76.3 145.9 -33.7 91.0 61.4 44 49 A A + 0 0 51 -2,-0.2 5,-0.3 -4,-0.1 -1,-0.1 0.092 29.4 125.5-158.5 21.7 -35.9 88.2 62.5 45 50 A P - 0 0 52 0, 0.0 5,-0.4 0, 0.0 -2,-0.1 0.365 68.1-160.7 -68.9 15.2 -34.2 85.2 60.9 46 51 A Q > - 0 0 49 1,-0.2 4,-1.7 3,-0.1 3,-0.3 0.645 37.3-113.5 7.4 132.8 -34.7 84.7 64.6 47 52 A L H > S+ 0 0 0 1,-0.2 4,-4.5 2,-0.2 -1,-0.2 0.853 119.6 74.3 -47.5 -26.0 -32.6 82.2 66.4 48 53 A R H > S+ 0 0 103 2,-0.3 4,-3.5 1,-0.3 5,-0.4 0.967 92.9 42.7 -50.8 -68.6 -36.2 81.0 66.6 49 54 A D H > S+ 0 0 83 -5,-0.3 4,-0.8 -3,-0.3 -1,-0.3 0.811 119.7 47.3 -51.5 -27.5 -36.5 79.8 63.0 50 55 A E H X S+ 0 0 2 -4,-1.7 4,-2.4 -5,-0.4 -2,-0.3 0.893 110.0 52.0 -78.4 -40.5 -33.0 78.4 63.6 51 56 A Y H X S+ 0 0 69 -4,-4.5 4,-1.6 -5,-0.3 -2,-0.2 0.947 107.4 52.3 -56.6 -51.2 -34.2 76.9 66.8 52 57 A R H X S+ 0 0 135 -4,-3.5 4,-2.2 1,-0.3 -1,-0.2 0.799 111.7 46.9 -55.2 -33.2 -37.1 75.3 65.0 53 58 A T H X S+ 0 0 16 -4,-0.8 4,-2.0 -5,-0.4 -1,-0.3 0.821 108.4 53.1 -79.1 -33.8 -34.6 73.8 62.5 54 59 A Y H < S+ 0 0 7 -4,-2.4 -2,-0.2 1,-0.2 12,-0.2 0.746 111.5 51.3 -70.0 -20.5 -32.4 72.7 65.4 55 60 A K H >< S+ 0 0 91 -4,-1.6 3,-0.6 -5,-0.2 -2,-0.2 0.937 109.2 46.5 -78.1 -53.0 -35.6 71.0 66.5 56 61 A L H 3< S+ 0 0 70 -4,-2.2 -2,-0.2 1,-0.3 -3,-0.1 0.978 116.9 42.0 -52.6 -66.5 -36.4 69.3 63.3 57 62 A L T >< S+ 0 0 0 -4,-2.0 3,-2.7 2,-0.1 -1,-0.3 0.604 88.4 124.5 -59.0 -10.2 -32.9 67.9 62.7 58 63 A A T < S+ 0 0 47 -3,-0.6 3,-0.1 1,-0.3 7,-0.1 -0.329 74.5 24.5 -55.5 119.6 -32.9 67.1 66.4 59 64 A G T 3 S+ 0 0 77 1,-0.3 2,-0.6 4,-0.3 -1,-0.3 0.378 92.8 116.8 104.9 -5.5 -32.2 63.4 66.6 60 65 A C S < S- 0 0 32 -3,-2.7 3,-0.5 1,-0.1 -1,-0.3 -0.893 79.3 -89.4-101.7 123.9 -30.4 63.1 63.2 61 66 A T S S+ 0 0 102 -2,-0.6 55,-0.1 1,-0.2 -1,-0.1 0.144 107.2 13.3 -33.1 126.7 -26.7 62.0 63.5 62 67 A G S S+ 0 0 6 1,-0.3 85,-1.1 84,-0.1 -1,-0.2 0.811 92.4 126.7 74.5 29.5 -24.2 64.8 63.9 63 68 A I - 0 0 10 -3,-0.5 -4,-0.3 83,-0.2 -1,-0.3 -0.984 62.7-118.3-119.8 126.3 -26.7 67.5 64.7 64 69 A P - 0 0 0 0, 0.0 19,-0.0 0, 0.0 -7,-0.0 -0.387 30.2-113.4 -64.7 137.1 -26.2 69.5 67.9 65 70 A N - 0 0 82 -2,-0.1 16,-1.3 -7,-0.1 2,-0.3 -0.314 25.7-132.1 -66.7 153.6 -28.9 69.3 70.5 66 71 A V E +F 80 0B 29 -12,-0.2 14,-0.2 14,-0.2 3,-0.1 -0.794 24.8 177.3-103.9 151.7 -30.9 72.5 71.1 67 72 A Y E - 0 0 84 12,-2.8 2,-0.3 1,-0.4 13,-0.2 0.556 53.0 -13.5-132.4 -11.8 -31.5 73.6 74.8 68 73 A Y E -F 79 0B 67 11,-0.9 11,-2.0 2,-0.0 -1,-0.4 -0.947 39.4-170.6 178.1 163.3 -33.4 76.8 74.9 69 74 A F E +F 78 0B 25 -2,-0.3 9,-0.2 9,-0.2 2,-0.2 -0.777 28.6 128.2-170.4 120.3 -34.7 79.9 73.2 70 75 A G E -F 77 0B 9 7,-1.2 7,-1.0 -2,-0.2 2,-0.4 -0.635 54.4 -77.3-149.6-152.8 -36.3 83.1 74.7 71 76 A Q + 0 0 107 5,-0.2 2,-1.0 -2,-0.2 5,-0.2 -0.823 33.7 176.0-131.6 95.5 -36.3 86.9 74.9 72 77 A E > - 0 0 57 -2,-0.4 3,-1.0 3,-0.3 2,-0.2 -0.725 59.2 -77.4-100.6 85.5 -33.7 88.6 77.1 73 78 A G T 3 S+ 0 0 48 -2,-1.0 -1,-0.0 1,-0.3 -33,-0.0 -0.405 117.3 5.4 65.9-132.3 -34.2 92.3 76.6 74 79 A L T 3 S+ 0 0 111 -2,-0.2 -34,-1.2 -35,-0.1 -1,-0.3 0.395 128.4 73.1 -66.3 7.1 -32.9 93.7 73.3 75 80 A H E < -E 39 0B 70 -3,-1.0 2,-0.4 -36,-0.2 -3,-0.3 -0.695 64.6-143.1-129.0 177.1 -32.1 90.1 72.4 76 81 A N E -E 38 0B 1 -38,-1.8 -38,-1.2 -2,-0.2 2,-0.4 -0.997 27.4-158.3-130.6 129.5 -33.0 86.6 71.4 77 82 A V E -EF 37 70B 0 -7,-1.0 -7,-1.2 -2,-0.4 2,-0.4 -0.901 13.2-174.8-120.0 147.5 -31.1 83.7 72.8 78 83 A L E -EF 36 69B 0 -42,-1.7 -42,-2.8 -2,-0.4 2,-0.4 -0.982 15.5-148.9-137.9 119.1 -30.6 80.1 71.6 79 84 A V E +EF 35 68B 2 -11,-2.0 -12,-2.8 -2,-0.4 -11,-0.9 -0.786 24.7 168.1 -94.0 135.2 -28.7 77.6 73.8 80 85 A I E -EF 34 66B 12 -46,-3.9 -46,-3.0 -2,-0.4 -14,-0.2 -0.968 39.7 -83.2-144.7 156.1 -26.8 74.8 72.0 81 86 A D E -E 33 0B 20 -16,-1.3 -48,-0.2 -2,-0.3 2,-0.2 -0.183 48.5-113.0 -54.4 149.9 -24.2 72.1 72.8 82 87 A L - 0 0 26 -50,-1.0 54,-0.4 -48,-0.0 2,-0.3 -0.527 40.1-172.3 -82.7 155.6 -20.6 73.2 72.9 83 88 A L - 0 0 30 52,-0.2 52,-0.2 -2,-0.2 53,-0.1 -0.982 20.9 -98.9-148.4 160.0 -18.4 71.8 70.1 84 89 A G - 0 0 10 50,-2.9 52,-0.1 -2,-0.3 -1,-0.1 0.157 62.5 -49.1 -67.1-174.8 -14.8 71.7 69.0 85 90 A P - 0 0 54 0, 0.0 49,-1.0 0, 0.0 2,-0.2 -0.125 63.4-103.0 -57.3 154.1 -12.9 73.8 66.4 86 91 A S B >> -G 133 0C 13 47,-0.2 4,-2.6 1,-0.1 3,-1.0 -0.512 26.4-113.7 -80.5 146.7 -14.4 74.3 62.9 87 92 A L H 3> S+ 0 0 0 45,-3.2 4,-2.2 42,-0.5 43,-0.2 0.745 116.9 62.2 -50.0 -23.7 -13.0 72.4 60.0 88 93 A E H 3> S+ 0 0 36 41,-0.7 4,-1.8 44,-0.3 -1,-0.3 0.910 107.3 38.8 -70.8 -46.3 -11.8 75.8 58.7 89 94 A D H <> S+ 0 0 81 -3,-1.0 4,-3.9 2,-0.2 5,-0.3 0.936 113.5 57.6 -68.4 -45.4 -9.5 76.5 61.7 90 95 A L H X S+ 0 0 8 -4,-2.6 4,-3.9 1,-0.2 5,-0.2 0.938 105.1 50.7 -47.2 -52.4 -8.5 72.8 61.6 91 96 A L H < S+ 0 0 4 -4,-2.2 6,-0.6 1,-0.2 4,-0.4 0.944 113.4 44.6 -49.3 -57.2 -7.4 73.2 58.0 92 97 A D H >X S+ 0 0 110 -4,-1.8 3,-1.0 1,-0.2 4,-0.8 0.904 116.8 47.0 -53.6 -46.7 -5.3 76.3 58.9 93 98 A L H 3< S+ 0 0 122 -4,-3.9 -2,-0.2 1,-0.2 -1,-0.2 0.856 107.3 55.3 -67.8 -35.8 -4.0 74.4 62.0 94 99 A C T 3< S- 0 0 39 -4,-3.9 -1,-0.2 -5,-0.3 -2,-0.2 0.475 134.0 -80.6 -78.4 2.1 -3.2 71.3 60.1 95 100 A G T <4 S- 0 0 35 -3,-1.0 2,-0.6 -4,-0.4 -3,-0.2 0.887 71.3 -62.0 97.5 69.9 -1.1 73.2 57.7 96 101 A R S < S+ 0 0 173 -4,-0.8 2,-0.3 -6,-0.1 -4,-0.2 0.380 120.8 38.3 39.9 2.5 -3.1 75.0 55.0 97 102 A K - 0 0 71 -2,-0.6 110,-0.2 -6,-0.6 2,-0.1 -0.930 69.5-130.5-173.3 149.8 -4.4 71.7 53.6 98 103 A F - 0 0 10 108,-1.6 2,-0.4 -2,-0.3 190,-0.0 -0.379 30.8-105.2 -96.1 177.6 -5.6 68.2 54.5 99 104 A S > - 0 0 49 -2,-0.1 4,-2.5 1,-0.1 5,-0.2 -0.840 32.7-106.6-107.6 143.6 -4.6 64.8 53.2 100 105 A V H > S+ 0 0 36 -2,-0.4 4,-3.1 1,-0.2 5,-0.2 0.818 120.2 52.1 -31.2 -52.5 -6.7 62.6 50.8 101 106 A K H > S+ 0 0 34 1,-0.2 4,-2.3 2,-0.2 5,-0.3 0.972 110.4 44.0 -51.2 -74.5 -7.5 60.3 53.7 102 107 A T H > S+ 0 0 0 1,-0.2 4,-1.7 185,-0.2 -1,-0.2 0.822 115.8 50.8 -37.9 -44.3 -8.7 63.0 56.1 103 108 A V H >X S+ 0 0 0 -4,-2.5 4,-3.2 2,-0.2 3,-1.2 0.995 108.1 50.5 -60.5 -61.5 -10.7 64.6 53.3 104 109 A A H 3X S+ 0 0 0 -4,-3.1 4,-1.8 1,-0.3 -2,-0.2 0.847 112.3 47.8 -42.8 -45.4 -12.3 61.3 52.3 105 110 A M H 3X S+ 0 0 0 -4,-2.3 4,-1.3 -5,-0.2 -1,-0.3 0.813 114.4 45.3 -70.5 -29.7 -13.4 60.6 55.8 106 111 A A H X S+ 0 0 0 -4,-3.3 3,-2.4 1,-0.3 4,-1.8 0.978 111.8 47.4 -49.4 -71.2 -20.3 66.0 55.9 111 116 A L H 3< S+ 0 0 0 -4,-3.0 4,-0.5 1,-0.3 -1,-0.3 0.771 110.0 57.1 -41.0 -31.1 -22.1 64.6 52.8 112 117 A A H 3X S+ 0 0 30 -4,-2.3 4,-2.2 -5,-0.3 3,-0.3 0.869 105.8 48.9 -70.1 -36.7 -24.2 62.6 55.4 113 118 A R H S+ 0 0 40 -4,-0.5 4,-2.6 -5,-0.3 5,-0.3 0.919 104.8 52.9 -87.7 -58.7 -28.5 64.5 53.2 116 121 A S H >< S+ 0 0 26 -4,-2.2 3,-0.5 1,-0.3 4,-0.4 0.907 112.0 48.2 -37.9 -56.5 -30.2 64.3 56.5 117 122 A I H ><>S+ 0 0 0 -4,-1.9 3,-2.2 1,-0.3 5,-1.4 0.922 110.0 51.0 -51.4 -51.3 -31.2 67.9 56.1 118 123 A H H ><5S+ 0 0 0 -4,-0.9 3,-1.4 1,-0.3 -1,-0.3 0.819 103.6 59.0 -58.0 -32.3 -32.4 67.3 52.5 119 124 A E T <<5S+ 0 0 95 -4,-2.6 -1,-0.3 -3,-0.5 -2,-0.2 0.537 98.5 59.8 -75.8 -4.6 -34.5 64.4 53.8 120 125 A K T < 5S- 0 0 55 -3,-2.2 -1,-0.3 -4,-0.4 -2,-0.2 -0.003 125.8-105.2-107.1 22.8 -36.2 67.0 56.0 121 126 A S T < 5S+ 0 0 1 -3,-1.4 35,-1.9 1,-0.2 36,-1.1 0.738 82.5 126.6 59.7 29.9 -37.2 68.9 52.8 122 127 A L E < -I 155 0D 6 -5,-1.4 2,-0.3 33,-0.2 33,-0.2 -0.954 52.7-151.1-125.1 129.0 -34.5 71.5 53.4 123 128 A V E -I 154 0D 2 31,-1.8 31,-1.4 -2,-0.4 69,-0.1 -0.664 17.7-145.0 -83.7 150.8 -31.7 72.9 51.2 124 129 A Y - 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0 0 36 -21,-0.9 2,-0.5 -3,-0.1 5,-0.2 -0.590 37.8-110.5 -83.1 142.6 -33.3 77.3 -11.0 484 195 B Q + 0 0 13 -2,-0.3 2,-0.2 -3,-0.1 -67,-0.2 -0.594 42.9 166.4 -79.4 123.0 -31.2 75.1 -8.8 485 196 B S >> - 0 0 2 -2,-0.5 3,-1.1 -69,-0.1 4,-0.8 -0.693 61.5 -68.4-121.4 176.2 -32.3 71.5 -8.3 486 197 B R H 3> S+ 0 0 8 1,-0.3 4,-1.8 -2,-0.2 3,-0.4 0.714 130.0 62.7 -39.7 -27.3 -30.4 68.6 -6.9 487 198 B R H 3> S+ 0 0 28 67,-0.4 4,-2.9 1,-0.2 -1,-0.3 0.962 94.4 55.3 -69.0 -50.3 -28.2 68.7 -9.9 488 199 B D H <> S+ 0 0 2 -3,-1.1 4,-1.3 1,-0.2 -13,-0.3 0.705 108.5 52.8 -56.6 -17.8 -26.7 72.1 -9.4 489 200 B D H X S+ 0 0 1 -4,-0.8 4,-3.0 -3,-0.4 5,-0.2 0.955 109.9 44.9 -78.9 -58.8 -25.6 70.9 -5.9 490 201 B L H X S+ 0 0 0 -4,-1.8 4,-0.7 1,-0.2 -2,-0.2 0.859 113.2 52.9 -50.1 -42.2 -23.9 67.7 -7.2 491 202 B E H >X S+ 0 0 6 -4,-2.9 3,-1.6 58,-0.2 4,-1.5 0.976 111.2 44.0 -60.4 -56.6 -22.2 69.8 -10.0 492 203 B A H >X S+ 0 0 5 -4,-1.3 4,-2.0 1,-0.3 3,-0.8 0.941 104.2 64.1 -52.1 -51.9 -20.8 72.4 -7.5 493 204 B L H 3X S+ 0 0 0 -4,-3.0 4,-0.7 1,-0.3 -1,-0.3 0.746 105.2 49.0 -45.5 -24.8 -19.7 69.6 -5.2 494 205 B G H S+ 0 0 1 -4,-3.0 4,-3.3 2,-0.2 5,-0.7 0.929 109.4 60.1 -69.1 -42.9 -11.4 69.6 -8.2 499 210 B Y H X5S+ 0 0 14 -4,-1.4 4,-1.2 -5,-0.3 -1,-0.2 0.874 105.8 49.0 -50.9 -39.0 -10.7 72.7 -6.1 500 211 B F H <5S+ 0 0 0 -4,-1.5 -108,-2.2 2,-0.2 -1,-0.3 0.892 118.1 40.8 -67.2 -38.6 -9.4 70.3 -3.5 501 212 B L H <5S+ 0 0 4 -4,-1.4 -2,-0.2 -3,-0.3 -3,-0.2 0.949 123.3 33.3 -75.9 -55.3 -7.2 68.6 -6.1 502 213 B R H <5S- 0 0 65 -4,-3.3 -3,-0.2 2,-0.2 -2,-0.2 0.721 98.1-131.0 -75.2 -21.7 -5.9 71.4 -8.2 503 214 B G S < - 0 0 4 -2,-0.3 3,-2.4 1,-0.1 -33,-0.0 -0.983 22.9-123.6-129.4 135.1 -10.0 76.6 -10.3 506 217 B P T 3 S+ 0 0 35 0, 0.0 -1,-0.1 0, 0.0 20,-0.1 0.832 111.9 52.3 -31.3 -62.8 -9.5 78.1 -13.9 507 218 B W T > S+ 0 0 2 -35,-0.1 3,-0.5 -3,-0.1 2,-0.4 0.177 88.1 119.9 -68.1 19.8 -12.2 80.7 -13.5 508 219 B Q T < S+ 0 0 67 -3,-2.4 -4,-0.0 1,-0.2 0, 0.0 -0.719 73.9 11.9 -93.6 139.0 -10.5 81.9 -10.3 509 220 B G T 3 S+ 0 0 69 -2,-0.4 -1,-0.2 0, 0.0 -2,-0.0 0.951 94.5 127.5 64.1 49.5 -9.3 85.4 -10.0 510 221 B L < + 0 0 53 -3,-0.5 -2,-0.1 2,-0.0 8,-0.1 0.836 34.6 73.4 -96.1 -88.3 -11.1 86.5 -13.1 511 222 B K + 0 0 84 -4,-0.2 4,-0.1 1,-0.2 -3,-0.0 0.424 37.3 169.6 7.1-108.4 -13.3 89.5 -13.0 512 223 B A S S+ 0 0 104 1,-0.1 -1,-0.2 2,-0.0 -2,-0.0 0.515 75.0 63.7 83.9 10.5 -11.2 92.7 -12.8 513 224 B A S S- 0 0 53 1,-0.3 2,-0.2 2,-0.0 -1,-0.1 0.410 103.4 -58.5-122.6 -99.0 -14.5 94.4 -13.5 514 225 B T > - 0 0 75 1,-0.1 4,-3.4 -3,-0.0 3,-0.4 -0.859 49.7 -83.0-147.3-178.9 -17.4 94.2 -11.0 515 226 B N H > S+ 0 0 127 -2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.976 125.8 39.2 -54.6 -68.5 -19.8 91.8 -9.2 516 227 B K H 4 S+ 0 0 161 1,-0.2 -1,-0.2 2,-0.2 4,-0.2 0.601 120.1 52.4 -61.5 -8.5 -22.4 91.2 -11.9 517 228 B Q H >> S+ 0 0 66 -3,-0.4 4,-3.1 2,-0.2 3,-0.7 0.849 106.1 49.3 -91.4 -45.7 -19.4 91.2 -14.3 518 229 B K H 3X S+ 0 0 52 -4,-3.4 4,-2.5 1,-0.3 5,-0.3 0.973 104.2 60.5 -56.5 -56.0 -17.4 88.6 -12.6 519 230 B Y H 3X S+ 0 0 37 -4,-2.3 4,-0.8 1,-0.2 -1,-0.3 0.762 112.4 40.1 -43.2 -31.0 -20.4 86.3 -12.3 520 231 B E H <> S+ 0 0 90 -3,-0.7 4,-3.7 -5,-0.2 5,-0.4 0.943 117.4 46.7 -83.3 -58.6 -20.4 86.4 -16.1 521 232 B R H X S+ 0 0 96 -4,-3.1 4,-3.4 2,-0.2 5,-0.2 0.948 117.8 42.5 -44.4 -69.0 -16.6 86.2 -16.6 522 233 B I H X S+ 0 0 2 -4,-2.5 4,-2.0 1,-0.2 3,-0.3 0.941 118.5 44.2 -40.6 -77.9 -16.2 83.3 -14.1 523 234 B G H X S+ 0 0 0 -4,-0.8 4,-1.6 -5,-0.3 -1,-0.2 0.770 114.3 48.7 -39.3 -45.0 -19.3 81.4 -15.3 524 235 B E H >X S+ 0 0 89 -4,-3.7 4,-3.1 1,-0.2 3,-0.6 0.965 110.2 53.2 -61.9 -49.8 -18.5 81.9 -19.0 525 236 B K H 3< S+ 0 0 54 -4,-3.4 -2,-0.2 -5,-0.4 -1,-0.2 0.855 103.5 57.6 -50.2 -39.5 -15.0 80.8 -18.2 526 237 B K H >< S+ 0 0 1 -4,-2.0 3,-0.9 -5,-0.2 -1,-0.3 0.914 111.1 42.0 -59.3 -43.2 -16.5 77.7 -16.6 527 238 B Q H << S+ 0 0 94 -4,-1.6 -2,-0.2 -3,-0.6 -1,-0.2 0.917 108.3 58.9 -69.7 -44.3 -18.2 76.9 -19.9 528 239 B S T 3< S+ 0 0 79 -4,-3.1 -1,-0.2 -5,-0.1 -2,-0.2 0.154 93.7 83.2 -73.3 21.8 -15.1 77.8 -21.9 529 240 B T S < S- 0 0 3 -3,-0.9 -1,-0.1 -5,-0.2 2,-0.1 -0.928 76.7-139.9-131.1 107.4 -13.2 75.1 -20.0 530 241 B P >> - 0 0 70 0, 0.0 4,-2.0 0, 0.0 3,-1.3 -0.365 17.8-126.3 -64.4 139.5 -13.6 71.5 -21.2 531 242 B L H >> S+ 0 0 16 1,-0.3 4,-3.8 2,-0.2 3,-0.6 0.950 109.7 55.4 -54.1 -51.8 -13.9 69.0 -18.4 532 243 B R H 34 S+ 0 0 134 1,-0.3 -1,-0.3 2,-0.2 5,-0.1 0.721 109.8 49.5 -55.0 -19.6 -11.0 66.8 -19.6 533 244 B E H <4 S+ 0 0 113 -3,-1.3 -1,-0.3 2,-0.1 -2,-0.2 0.834 116.6 41.0 -83.8 -37.0 -8.9 70.0 -19.4 534 245 B L H << S+ 0 0 1 -4,-2.0 -2,-0.2 -3,-0.6 -3,-0.2 0.801 121.4 39.6 -79.8 -35.0 -10.1 70.7 -15.9 535 246 B C S >< S+ 0 0 5 -4,-3.8 3,-1.9 -5,-0.2 -1,-0.2 0.403 90.0 139.7 -93.8 1.3 -10.0 67.1 -14.6 536 247 B A T 3 + 0 0 54 -5,-0.5 -3,-0.1 1,-0.3 -4,-0.0 -0.121 65.9 15.4 -49.5 131.7 -6.7 66.7 -16.5 537 248 B G T 3 S+ 0 0 87 1,-0.2 -1,-0.3 -5,-0.1 3,-0.1 0.384 109.4 93.8 85.4 -3.7 -4.1 64.7 -14.7 538 249 B F S < S- 0 0 62 -3,-1.9 -1,-0.2 1,-0.2 5,-0.2 -0.847 88.9 -55.9-123.0 160.1 -6.4 63.3 -12.1 539 250 B P >> - 0 0 34 0, 0.0 3,-1.5 0, 0.0 4,-0.8 0.149 43.0-133.7 -31.6 131.6 -8.4 60.1 -11.6 540 251 B E H >> S+ 0 0 72 1,-0.3 4,-2.7 2,-0.2 3,-0.6 0.841 102.3 73.3 -61.4 -33.0 -10.8 59.5 -14.5 541 252 B E H 3> S+ 0 0 11 1,-0.3 4,-1.0 2,-0.2 -1,-0.3 0.762 94.4 54.7 -52.4 -27.2 -13.6 58.7 -11.9 542 253 B F H <> S+ 0 0 2 -3,-1.5 4,-2.7 2,-0.2 -1,-0.3 0.866 105.8 48.8 -74.2 -41.6 -13.6 62.5 -11.3 543 254 B Y H < S+ 0 0 1 -4,-2.1 3,-1.1 1,-0.2 -1,-0.2 0.879 109.1 59.7 -80.6 -39.4 -23.5 66.0 -13.0 550 261 B R H 3< S+ 0 0 42 -4,-3.3 -2,-0.2 -5,-0.3 -1,-0.2 0.592 116.6 34.3 -65.6 -9.9 -22.9 68.4 -15.8 551 262 B N T 3< S+ 0 0 118 -4,-0.9 -1,-0.2 -3,-0.2 -2,-0.2 0.273 83.8 129.1-129.2 11.8 -25.5 66.6 -17.9 552 263 B L < - 0 0 26 -3,-1.1 2,-0.2 -4,-0.2 -3,-0.1 -0.212 60.7-108.8 -64.3 161.0 -28.2 65.5 -15.4 553 264 B A - 0 0 59 1,-0.1 -66,-0.1 4,-0.0 -1,-0.1 -0.537 27.1-109.5 -88.8 158.8 -31.8 66.4 -16.1 554 265 B F S S+ 0 0 23 1,-0.2 -67,-0.4 -2,-0.2 -68,-0.1 0.950 119.1 25.7 -53.6 -59.4 -33.7 69.0 -14.1 555 266 B D S S+ 0 0 79 -70,-0.1 -1,-0.2 -69,-0.1 -97,-0.1 0.590 95.9 137.5 -82.0 -8.8 -36.0 66.7 -12.2 556 267 B A - 0 0 23 1,-0.1 -69,-0.1 -71,-0.0 -4,-0.1 -0.018 56.7-130.2 -38.9 127.6 -33.5 63.9 -12.7 557 268 B T - 0 0 100 -71,-0.0 -1,-0.1 1,-0.0 -2,-0.1 -0.775 29.8-119.5 -86.4 114.2 -33.0 61.8 -9.6 558 269 B P - 0 0 5 0, 0.0 2,-1.6 0, 0.0 3,-0.2 -0.203 11.7-129.6 -52.9 140.7 -29.3 61.6 -8.9 559 270 B D >> + 0 0 79 1,-0.2 4,-1.7 2,-0.1 3,-0.8 -0.589 34.5 175.8 -91.6 70.2 -27.8 58.1 -9.0 560 271 B Y H 3> S+ 0 0 16 -2,-1.6 4,-2.5 1,-0.3 -1,-0.2 0.864 75.7 57.6 -42.1 -46.4 -26.1 58.7 -5.7 561 272 B D H 34 S+ 0 0 137 2,-0.2 -1,-0.3 -3,-0.2 4,-0.2 0.916 107.0 48.4 -54.4 -47.1 -25.0 55.1 -5.7 562 273 B Y H X> S+ 0 0 98 -3,-0.8 3,-3.5 1,-0.2 4,-1.4 0.991 114.2 42.9 -56.0 -68.9 -23.2 55.6 -9.0 563 274 B L H 3X S+ 0 0 0 -4,-1.7 4,-0.8 1,-0.3 -1,-0.2 0.768 112.5 56.9 -47.6 -30.6 -21.4 58.8 -8.0 564 275 B Q H 3< S+ 0 0 44 -4,-2.5 4,-0.4 -5,-0.3 -1,-0.3 0.430 104.6 51.8 -84.0 0.1 -20.6 57.1 -4.7 565 276 B G H <> S+ 0 0 33 -3,-3.5 4,-1.5 -4,-0.2 -2,-0.2 0.684 97.7 64.0-103.8 -28.6 -18.9 54.2 -6.5 566 277 B L H X S+ 0 0 10 -4,-1.4 4,-1.9 1,-0.2 -2,-0.2 0.875 108.8 42.6 -60.2 -39.5 -16.6 56.4 -8.6 567 278 B F H X S+ 0 0 0 -4,-0.8 4,-1.2 2,-0.2 -1,-0.2 0.871 110.0 54.4 -76.8 -38.4 -15.0 57.6 -5.4 568 279 B S H > S+ 0 0 35 -4,-0.4 4,-1.4 1,-0.2 -2,-0.2 0.765 109.9 51.5 -65.5 -24.2 -14.9 54.1 -3.9 569 280 B K H X S+ 0 0 86 -4,-1.5 4,-2.5 2,-0.2 5,-0.3 0.939 98.6 60.6 -76.9 -49.7 -13.1 53.1 -7.0 570 281 B V H X S+ 0 0 2 -4,-1.9 4,-1.1 1,-0.3 -2,-0.2 0.832 110.7 45.8 -46.3 -32.4 -10.5 55.9 -6.8 571 282 B L H <>S+ 0 0 6 -4,-1.2 5,-2.1 2,-0.2 -1,-0.3 0.868 106.7 53.3 -81.1 -39.9 -9.6 54.2 -3.5 572 283 B E H ><5S+ 0 0 128 -4,-1.4 3,-0.6 1,-0.2 -2,-0.2 0.805 108.7 55.3 -64.0 -26.9 -9.6 50.6 -4.7 573 284 B R H 3<5S+ 0 0 147 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.897 105.0 49.6 -70.4 -42.6 -7.2 51.9 -7.4 574 285 B L T 3<5S- 0 0 85 -4,-1.1 -1,-0.2 -5,-0.3 -2,-0.2 0.363 114.4-118.7 -78.2 5.2 -4.8 53.4 -4.7 575 286 B N T < 5S+ 0 0 154 -3,-0.6 2,-0.2 1,-0.2 -3,-0.2 0.703 76.4 117.1 64.5 23.0 -4.9 50.0 -2.9 576 287 B T < - 0 0 36 -5,-2.1 -1,-0.2 1,-0.0 2,-0.2 -0.721 57.3-131.5-119.5 168.7 -6.4 51.6 0.1 577 288 B T - 0 0 97 -2,-0.2 2,-1.0 -3,-0.1 -1,-0.0 -0.459 39.8 -89.3-107.7-178.8 -9.6 51.4 2.1 578 289 B E S S+ 0 0 77 -2,-0.2 2,-0.1 2,-0.1 -10,-0.0 -0.315 70.2 142.6 -92.1 53.6 -12.0 54.1 3.4 579 290 B D - 0 0 47 -2,-1.0 -180,-0.1 2,-0.1 -3,-0.0 -0.343 63.1-111.2 -77.7 172.7 -10.3 54.7 6.7 580 291 B E + 0 0 48 -2,-0.1 2,-2.5 2,-0.1 -1,-0.1 0.016 63.5 142.3-101.4 32.8 -10.2 58.3 7.7 581 292 B N - 0 0 103 2,-0.0 2,-0.2 3,-0.0 -2,-0.1 -0.480 32.9-178.7 -70.9 81.0 -6.5 58.9 7.4 582 293 B F > - 0 0 5 -2,-2.5 3,-1.5 1,-0.1 -2,-0.1 -0.515 43.6-110.1 -81.4 152.3 -7.1 62.4 6.0 583 294 B D T 3 S+ 0 0 47 1,-0.3 2,-0.5 -2,-0.2 4,-0.2 0.870 118.2 65.0 -49.2 -35.4 -4.1 64.5 5.0 584 295 B W T 3 S+ 0 0 15 1,-0.2 2,-0.5 2,-0.1 -1,-0.3 -0.023 70.3 104.7 -82.3 33.6 -5.1 66.5 8.1 585 296 B N S < S+ 0 0 70 -3,-1.5 -1,-0.2 -2,-0.5 -2,-0.0 -0.553 82.2 35.3-113.0 66.4 -4.4 63.8 10.7 586 297 B L 0 0 147 -2,-0.5 -2,-0.1 1,-0.1 -1,-0.1 0.114 360.0 360.0-175.4 -40.9 -1.1 65.0 12.2 587 298 B L 0 0 117 -4,-0.2 -1,-0.1 -200,-0.0 -199,-0.0 0.034 360.0 360.0 -37.1 360.0 -1.2 68.8 12.2