==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-MAY-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 02-APR-12 4APC . COMPND 2 MOLECULE: SERINE/THREONINE-PROTEIN KINASE NEK1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.M.ELKINS,T.D.M.HANCHUK,D.V.LOVATO,F.L.BASEI,G.V.MEIRELLES, . 589 6 1 0 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 30592.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 372 63.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 80 13.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.7 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 . 23 3.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 64 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 184 31.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 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 4 1 1 2 2 0 6 0 0 0 0 0 2 2 0 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 4 2 2 0 4 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 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 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 -20 A H 0 0 133 0, 0.0 2,-0.1 0, 0.0 7,-0.0 0.000 360.0 360.0 360.0 83.5 29.7 -23.1 -41.8 2 -19 A H - 0 0 175 2,-0.1 2,-0.2 0, 0.0 0, 0.0 -0.553 360.0-162.9-153.7 73.6 31.5 -23.6 -45.1 3 -18 A H 0 0 162 -2,-0.1 0, 0.0 0, 0.0 0, 0.0 -0.489 360.0 360.0-112.6 142.5 33.1 -20.4 -46.0 4 -17 A H 0 0 214 -2,-0.2 -2,-0.1 0, 0.0 0, 0.0 -0.931 360.0 360.0-156.1 360.0 34.7 -18.0 -48.4 5 ! 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 6 -10 A D > 0 0 87 0, 0.0 3,-1.0 0, 0.0 4,-0.1 0.000 360.0 360.0 360.0 108.9 29.6 -16.0 -40.6 7 -9 A L T 3 + 0 0 163 1,-0.2 0, 0.0 2,-0.1 0, 0.0 -0.414 360.0 33.6 -65.2 144.6 26.4 -18.0 -39.8 8 -8 A G T 3 S+ 0 0 84 -2,-0.1 -1,-0.2 3,-0.0 0, 0.0 0.553 88.6 102.7 82.2 10.8 25.5 -18.0 -36.0 9 -7 A T < + 0 0 90 -3,-1.0 2,-0.3 2,-0.1 -2,-0.1 0.384 45.0 114.2-104.0 -2.7 26.9 -14.5 -35.5 10 -6 A E S S- 0 0 95 -4,-0.1 2,-0.4 1,-0.1 72,-0.0 -0.564 72.7-120.3 -64.3 131.5 23.5 -12.7 -35.4 11 -5 A N - 0 0 32 -2,-0.3 2,-0.5 72,-0.0 74,-0.4 -0.621 29.0-170.5 -74.9 128.3 22.9 -11.4 -31.9 12 -4 A L + 0 0 130 -2,-0.4 2,-0.3 71,-0.1 71,-0.2 -0.991 15.6 157.9-121.8 122.0 19.9 -12.7 -30.1 13 -3 A Y B +A 82 0A 99 69,-1.9 69,-2.6 -2,-0.5 2,-0.3 -0.984 2.8 152.9-142.5 133.2 18.8 -11.1 -26.8 14 -2 A F - 0 0 157 -2,-0.3 67,-0.1 67,-0.2 3,-0.1 -0.962 26.1-169.9-157.6 153.6 15.5 -11.0 -25.1 15 -1 A Q S S+ 0 0 99 65,-0.3 2,-0.3 -2,-0.3 66,-0.1 0.405 75.4 13.6-117.8 -8.9 14.1 -10.7 -21.5 16 0 A S - 0 0 48 2,-0.1 -1,-0.2 1,-0.0 63,-0.0 -0.977 66.9-115.7-164.7 164.1 10.4 -11.5 -22.0 17 1 A M + 0 0 165 -2,-0.3 -1,-0.0 -3,-0.1 0, 0.0 0.578 66.7 131.1 -82.4 -11.0 7.8 -13.0 -24.4 18 2 A E - 0 0 34 1,-0.1 2,-0.4 16,-0.0 -2,-0.1 -0.103 44.6-151.0 -55.9 135.1 5.9 -9.7 -24.9 19 3 A K - 0 0 126 2,-0.0 16,-2.7 0, 0.0 17,-0.5 -0.845 3.1-151.3-109.5 144.2 5.3 -8.8 -28.5 20 4 A Y E -B 34 0A 36 -2,-0.4 2,-0.5 14,-0.2 14,-0.2 -0.945 4.1-147.6-117.1 132.0 4.9 -5.3 -29.9 21 5 A V E -B 33 0A 74 12,-3.4 12,-2.1 -2,-0.4 2,-0.1 -0.856 24.4-122.8 -95.0 125.2 2.8 -4.2 -32.9 22 6 A R E +B 32 0A 175 -2,-0.5 10,-0.2 10,-0.2 3,-0.1 -0.409 34.4 170.4 -61.2 133.8 4.2 -1.2 -34.9 23 7 A L E - 0 0 86 8,-2.7 2,-0.3 1,-0.4 9,-0.2 0.693 58.7 -20.7-110.5 -39.2 1.7 1.6 -35.1 24 8 A Q E -B 31 0A 121 7,-1.4 7,-2.4 0, 0.0 -1,-0.4 -0.976 57.7-107.6-171.0 144.0 3.6 4.5 -36.6 25 9 A K E B 30 0A 104 -2,-0.3 5,-0.3 5,-0.2 7,-0.0 -0.660 360.0 360.0 -74.6 143.4 7.1 6.0 -37.2 26 10 A I 0 0 111 3,-3.4 4,-0.2 -2,-0.3 -1,-0.1 0.368 360.0 360.0-135.7 360.0 7.7 9.0 -35.0 27 ! 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 28 17 A K 0 0 105 0, 0.0 17,-2.6 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 52.5 14.8 5.8 -35.7 29 18 A A E - C 0 44A 22 15,-0.2 -3,-3.4 13,-0.0 2,-0.4 -0.804 360.0-171.0-110.1 135.1 11.7 5.8 -33.3 30 19 A I E -BC 25 43A 21 13,-2.7 13,-2.6 -2,-0.4 2,-0.4 -0.975 20.0-136.8-126.7 129.6 8.5 3.8 -33.6 31 20 A L E +BC 24 42A 12 -7,-2.4 -8,-2.7 -2,-0.4 -7,-1.4 -0.737 37.4 178.0 -79.3 129.8 5.2 4.0 -31.6 32 21 A V E -BC 22 41A 3 9,-3.2 9,-2.2 -2,-0.4 2,-0.4 -0.860 25.9-139.1-131.8 168.5 4.0 0.5 -30.7 33 22 A K E -BC 21 40A 18 -12,-2.1 -12,-3.4 -2,-0.3 2,-0.3 -0.983 25.4-120.0-127.9 136.8 1.3 -1.3 -28.9 34 23 A S E > -B 20 0A 3 5,-3.0 4,-2.1 -2,-0.4 -14,-0.2 -0.631 8.3-148.4 -75.6 132.2 1.8 -4.4 -26.7 35 24 A T T 4 S+ 0 0 85 -16,-2.7 -1,-0.1 -2,-0.3 -15,-0.1 0.662 95.3 66.5 -72.4 -16.6 -0.2 -7.4 -27.9 36 25 A E T 4 S- 0 0 147 -17,-0.5 -1,-0.2 1,-0.1 -16,-0.1 0.951 130.6 -13.7 -67.7 -51.5 -0.4 -8.4 -24.2 37 26 A D T 4 S- 0 0 76 2,-0.2 -2,-0.2 -3,-0.1 -1,-0.1 0.179 88.3-106.9-143.5 17.9 -2.6 -5.5 -23.0 38 27 A G < + 0 0 50 -4,-2.1 -3,-0.1 1,-0.2 2,-0.0 0.455 66.1 150.6 65.2 1.2 -2.7 -2.8 -25.7 39 28 A R - 0 0 133 -6,-0.1 -5,-3.0 1,-0.1 2,-0.3 -0.362 42.9-123.2 -66.0 145.3 -0.4 -0.4 -23.7 40 29 A Q E +C 33 0A 74 -7,-0.2 53,-0.7 53,-0.1 2,-0.3 -0.645 33.4 169.1 -96.5 149.5 1.7 1.8 -25.9 41 30 A Y E -CD 32 92A 6 -9,-2.2 -9,-3.2 -2,-0.3 2,-0.4 -0.933 31.0-119.2-147.7 166.1 5.5 2.2 -25.9 42 31 A V E -CD 31 91A 18 49,-2.6 49,-3.3 -2,-0.3 2,-0.5 -0.942 23.9-163.0-112.9 131.9 8.3 3.8 -28.0 43 32 A I E -CD 30 90A 8 -13,-2.6 -13,-2.7 -2,-0.4 2,-0.6 -0.981 4.4-157.7-116.9 129.7 10.9 1.5 -29.6 44 33 A K E -CD 29 89A 33 45,-2.1 45,-2.1 -2,-0.5 2,-0.5 -0.939 11.8-152.0-105.3 120.7 14.2 3.0 -30.8 45 34 A E E - D 0 88A 71 -17,-2.6 2,-0.4 -2,-0.6 43,-0.2 -0.851 14.1-177.4 -97.0 129.3 15.9 0.7 -33.4 46 35 A I E - D 0 87A 36 41,-2.8 41,-3.1 -2,-0.5 2,-0.3 -0.994 27.2-122.5-124.7 128.2 19.7 0.9 -33.7 47 36 A N E + D 0 86A 47 -2,-0.4 39,-0.2 39,-0.2 38,-0.1 -0.541 33.5 168.7 -72.5 132.7 21.6 -1.1 -36.3 48 37 A I > + 0 0 11 37,-2.6 3,-1.8 -2,-0.3 38,-0.2 0.692 61.4 72.7-113.4 -30.7 24.2 -3.4 -34.8 49 38 A S T 3 S+ 0 0 67 36,-2.0 37,-0.1 1,-0.3 36,-0.1 0.851 101.4 45.8 -61.8 -35.7 25.4 -5.7 -37.6 50 39 A R T 3 S+ 0 0 198 35,-0.3 2,-0.3 2,-0.0 -1,-0.3 0.168 90.2 110.6 -96.0 18.6 27.4 -2.9 -39.3 51 40 A M < - 0 0 49 -3,-1.8 -3,-0.1 1,-0.1 5,-0.0 -0.738 68.7-122.3 -86.9 141.0 29.0 -1.7 -36.1 52 41 A S > - 0 0 64 -2,-0.3 4,-1.6 1,-0.1 5,-0.2 -0.208 35.3 -97.5 -64.9 168.1 32.8 -2.2 -35.5 53 42 A S H > S+ 0 0 91 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.837 127.1 46.9 -57.9 -34.2 33.9 -4.2 -32.4 54 43 A K H > S+ 0 0 94 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.880 108.6 52.4 -77.5 -41.5 34.5 -0.8 -30.6 55 44 A E H > S+ 0 0 57 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.805 111.7 50.4 -63.3 -27.5 31.2 0.7 -31.6 56 45 A R H X S+ 0 0 71 -4,-1.6 4,-2.4 2,-0.2 -2,-0.2 0.888 107.0 50.2 -78.6 -42.0 29.5 -2.4 -30.2 57 46 A E H X S+ 0 0 46 -4,-1.6 4,-1.8 2,-0.2 -2,-0.2 0.878 115.4 45.1 -63.5 -35.3 31.3 -2.4 -26.9 58 47 A E H X S+ 0 0 55 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.899 111.6 50.9 -76.1 -40.8 30.3 1.3 -26.4 59 48 A S H X S+ 0 0 16 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.906 110.4 51.5 -56.7 -44.0 26.7 0.7 -27.6 60 49 A R H X S+ 0 0 180 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.929 110.1 47.9 -58.1 -49.1 26.5 -2.2 -25.0 61 50 A R H X S+ 0 0 82 -4,-1.8 4,-1.6 1,-0.2 -1,-0.2 0.842 110.8 52.1 -64.2 -34.7 27.8 0.0 -22.2 62 51 A E H X S+ 0 0 45 -4,-2.2 4,-2.7 2,-0.2 -1,-0.2 0.906 109.4 48.7 -65.9 -44.3 25.3 2.8 -23.2 63 52 A V H X S+ 0 0 21 -4,-2.3 4,-3.4 2,-0.2 -2,-0.2 0.919 108.2 54.3 -64.8 -43.0 22.3 0.4 -23.1 64 53 A A H X S+ 0 0 53 -4,-2.3 4,-1.3 2,-0.2 -1,-0.2 0.912 110.9 46.1 -55.4 -43.9 23.4 -0.9 -19.7 65 54 A V H X S+ 0 0 30 -4,-1.6 4,-1.0 2,-0.2 3,-0.5 0.943 113.8 48.2 -64.3 -48.3 23.4 2.7 -18.4 66 55 A L H >< S+ 0 0 6 -4,-2.7 3,-0.7 1,-0.2 11,-0.3 0.895 110.5 53.2 -51.6 -45.5 20.0 3.4 -20.0 67 56 A A H 3< S+ 0 0 35 -4,-3.4 -1,-0.2 1,-0.2 -2,-0.2 0.766 111.6 44.4 -69.7 -25.5 18.7 0.1 -18.5 68 57 A N H 3< S+ 0 0 134 -4,-1.3 2,-0.2 -3,-0.5 -1,-0.2 0.539 85.2 108.4 -95.3 -7.0 19.8 1.1 -15.0 69 58 A M << + 0 0 11 -4,-1.0 8,-0.4 -3,-0.7 2,-0.3 -0.523 40.6 169.1 -74.9 128.9 18.6 4.7 -15.0 70 59 A K + 0 0 97 -2,-0.2 5,-0.1 6,-0.1 6,-0.1 -0.919 12.1 134.8-143.7 118.2 15.5 5.1 -12.7 71 60 A H > - 0 0 18 3,-0.4 3,-1.8 -2,-0.3 55,-0.0 -0.950 57.5-120.2-158.9 145.8 14.1 8.5 -11.8 72 61 A P T 3 S+ 0 0 56 0, 0.0 4,-0.1 0, 0.0 54,-0.0 0.725 115.0 46.9 -64.1 -21.1 10.6 9.9 -11.7 73 62 A N T 3 S+ 0 0 4 49,-0.1 82,-3.1 81,-0.1 2,-0.4 0.062 98.2 81.2-108.4 23.2 11.6 12.6 -14.2 74 63 A I B < S-f 155 0B 6 -3,-1.8 -3,-0.4 80,-0.3 82,-0.2 -0.996 94.1-101.5-124.9 129.5 13.4 10.3 -16.7 75 64 A V - 0 0 8 80,-2.2 2,-0.4 -2,-0.4 -2,-0.1 -0.289 47.8-109.6 -50.2 130.4 11.4 8.3 -19.3 76 65 A Q - 0 0 120 -4,-0.1 16,-2.3 -6,-0.1 2,-0.2 -0.534 22.2-137.0 -76.8 121.2 11.2 4.7 -17.9 77 66 A Y E - E 0 91A 29 -8,-0.4 14,-0.2 -2,-0.4 3,-0.1 -0.533 21.6-178.8 -66.5 136.9 13.2 2.1 -19.7 78 67 A R E - 0 0 76 12,-3.1 2,-0.3 1,-0.4 13,-0.2 0.817 50.9 -51.3-104.9 -60.2 11.1 -1.1 -20.1 79 68 A E E - E 0 90A 12 11,-1.2 11,-3.4 2,-0.0 -1,-0.4 -0.975 41.7-132.6-164.5 172.7 13.4 -3.6 -21.9 80 69 A S E - E 0 89A 5 -2,-0.3 -65,-0.3 9,-0.2 2,-0.3 -0.962 16.3-173.9-133.9 157.5 15.6 -4.2 -24.9 81 70 A F E - E 0 88A 31 7,-2.2 7,-2.9 -2,-0.3 2,-0.4 -0.981 11.3-148.5-143.8 157.8 15.9 -7.0 -27.4 82 71 A E E +AE 13 87A 40 -69,-2.6 -69,-1.9 -2,-0.3 2,-0.3 -0.992 31.7 134.7-129.1 135.9 18.2 -7.9 -30.3 83 72 A E E > + E 0 86A 80 3,-1.8 3,-2.3 -2,-0.4 -71,-0.1 -0.936 59.5 22.8-169.0 152.6 17.3 -9.7 -33.5 84 73 A N T 3 S- 0 0 114 1,-0.3 3,-0.1 -2,-0.3 -35,-0.1 0.793 128.7 -56.8 57.1 33.3 17.9 -9.5 -37.2 85 74 A G T 3 S+ 0 0 10 -74,-0.4 -37,-2.6 1,-0.2 -36,-2.0 0.571 115.8 102.7 74.2 9.3 21.1 -7.4 -36.8 86 75 A S E < -DE 47 83A 8 -3,-2.3 -3,-1.8 -39,-0.2 2,-0.4 -0.901 61.7-139.1-121.7 157.6 19.4 -4.7 -34.8 87 76 A L E -DE 46 82A 5 -41,-3.1 -41,-2.8 -2,-0.3 2,-0.4 -0.910 20.5-163.0-103.9 136.1 19.1 -3.6 -31.2 88 77 A Y E -DE 45 81A 19 -7,-2.9 -7,-2.2 -2,-0.4 2,-0.5 -0.993 3.4-162.0-125.0 128.5 15.6 -2.4 -30.0 89 78 A I E -DE 44 80A 2 -45,-2.1 -45,-2.1 -2,-0.4 2,-0.6 -0.956 9.0-150.9-114.5 124.3 15.1 -0.4 -26.9 90 79 A V E +DE 43 79A 0 -11,-3.4 -12,-3.1 -2,-0.5 -11,-1.2 -0.858 20.9 174.3-102.1 120.3 11.6 -0.3 -25.4 91 80 A M E -DE 42 77A 8 -49,-3.3 -49,-2.6 -2,-0.6 -14,-0.2 -0.854 36.8 -95.7-121.3 156.0 10.7 2.9 -23.5 92 81 A D E -D 41 0A 41 -16,-2.3 2,-0.6 -2,-0.3 -51,-0.2 -0.314 39.5-120.7 -66.5 155.4 7.4 4.1 -22.0 93 82 A Y - 0 0 77 -53,-0.7 2,-0.9 -52,-0.1 -53,-0.1 -0.913 13.6-142.4-105.6 123.2 5.3 6.4 -24.1 94 83 A C > - 0 0 11 -2,-0.6 3,-2.0 1,-0.2 53,-0.3 -0.776 10.2-158.5 -87.6 104.6 4.6 9.8 -22.6 95 84 A E T 3 S+ 0 0 113 -2,-0.9 53,-0.2 1,-0.3 -1,-0.2 0.684 84.4 65.8 -64.7 -19.6 1.0 10.5 -23.7 96 85 A G T 3 S- 0 0 42 51,-2.0 -1,-0.3 1,-0.2 52,-0.2 0.510 98.8-139.6 -77.6 -5.7 1.4 14.3 -23.3 97 86 A G < - 0 0 22 -3,-2.0 50,-2.2 50,-0.4 -1,-0.2 -0.132 35.7 -37.6 73.8-170.0 3.9 14.5 -26.1 98 87 A D B > -G 146 0B 35 48,-0.2 4,-1.9 1,-0.1 3,-0.3 -0.413 45.4-116.4 -96.1 163.4 7.0 16.7 -26.2 99 88 A L H > S+ 0 0 0 46,-2.7 4,-2.6 43,-1.1 44,-0.2 0.768 111.2 66.4 -66.8 -26.7 7.8 20.2 -24.9 100 89 A F H > S+ 0 0 76 42,-1.3 4,-2.0 45,-0.3 -1,-0.2 0.943 106.9 39.9 -57.6 -48.5 8.4 21.4 -28.5 101 90 A K H > S+ 0 0 98 -3,-0.3 4,-2.2 2,-0.2 -2,-0.2 0.896 113.5 54.8 -69.4 -40.6 4.7 20.8 -29.4 102 91 A R H X S+ 0 0 80 -4,-1.9 4,-0.7 2,-0.2 -1,-0.2 0.902 108.3 49.7 -58.3 -41.4 3.6 22.1 -26.1 103 92 A I H >< S+ 0 0 7 -4,-2.6 3,-1.2 1,-0.2 5,-0.4 0.947 112.0 46.6 -63.4 -47.7 5.5 25.3 -26.7 104 93 A N H >< S+ 0 0 92 -4,-2.0 3,-1.8 1,-0.2 -1,-0.2 0.829 101.5 67.2 -65.0 -28.7 4.0 25.7 -30.2 105 94 A A H 3< S+ 0 0 66 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.755 86.7 69.8 -64.9 -23.5 0.6 25.1 -28.8 106 95 A Q T X< S- 0 0 38 -3,-1.2 3,-1.8 -4,-0.7 -1,-0.3 0.715 90.6-149.7 -60.8 -24.9 0.8 28.4 -26.9 107 96 A K T < S- 0 0 138 -3,-1.8 -3,-0.1 -4,-0.3 -2,-0.1 0.870 73.2 -42.4 50.5 44.3 0.5 30.2 -30.3 108 97 A G T 3 S+ 0 0 59 -5,-0.4 2,-0.7 1,-0.2 -1,-0.3 0.311 103.6 132.7 90.7 -9.0 2.7 33.0 -28.9 109 98 A V < - 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0 0 49 -2,-0.5 -17,-0.1 -3,-0.1 -18,-0.1 -0.970 48.9 -85.6-142.2 154.5 9.3 23.6 -69.8 531 221 B P - 0 0 71 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 -0.428 55.4-110.2 -62.0 123.1 7.3 20.4 -69.7 532 222 B P - 0 0 111 0, 0.0 3,-0.1 0, 0.0 2,-0.1 -0.127 30.3-108.7 -56.2 147.2 6.2 19.7 -66.1 533 223 B V - 0 0 10 1,-0.2 -25,-0.1 9,-0.1 -29,-0.0 -0.388 51.3 -77.0 -70.6 151.6 7.7 16.7 -64.3 534 224 B S > - 0 0 50 -27,-0.2 3,-1.9 1,-0.2 -1,-0.2 -0.251 34.2-134.6 -53.6 132.1 5.5 13.7 -63.6 535 225 B L T 3 S+ 0 0 131 1,-0.3 -1,-0.2 -3,-0.1 7,-0.1 0.572 96.7 86.3 -69.4 -10.4 3.1 14.4 -60.8 536 226 B H T 3 S+ 0 0 117 2,-0.0 -1,-0.3 0, 0.0 2,-0.1 0.797 76.9 82.5 -48.7 -34.7 4.1 10.9 -59.5 537 227 B Y S < S- 0 0 2 -3,-1.9 5,-0.0 1,-0.1 -126,-0.0 -0.478 96.2 -90.4 -81.1 152.3 7.0 12.6 -57.8 538 228 B S > - 0 0 41 -2,-0.1 4,-2.4 1,-0.1 5,-0.2 -0.042 27.4-118.1 -57.2 158.1 6.7 14.3 -54.5 539 229 B Y H > S+ 0 0 163 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.834 115.5 59.9 -65.2 -34.3 5.7 18.0 -54.1 540 230 B D H > S+ 0 0 84 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.948 110.5 40.7 -55.7 -49.8 9.0 18.6 -52.4 541 231 B L H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.932 116.9 46.0 -68.4 -48.3 10.9 17.4 -55.5 542 232 B R H X S+ 0 0 74 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.927 112.8 52.6 -62.8 -41.2 8.7 19.1 -58.1 543 233 B S H X S+ 0 0 31 -4,-2.5 4,-1.7 -5,-0.2 -1,-0.2 0.879 108.0 50.6 -60.0 -40.4 8.8 22.2 -56.1 544 234 B L H X S+ 0 0 0 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.934 106.7 54.4 -63.6 -47.4 12.6 22.1 -56.0 545 235 B V H X S+ 0 0 2 -4,-2.3 4,-1.3 1,-0.2 -1,-0.2 0.921 108.8 49.6 -49.9 -47.1 12.8 21.7 -59.8 546 236 B S H < S+ 0 0 59 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.852 108.8 51.7 -64.7 -36.4 10.7 24.8 -60.2 547 237 B Q H >< S+ 0 0 49 -4,-1.7 3,-1.4 1,-0.2 -1,-0.2 0.884 106.5 54.5 -65.8 -40.9 12.9 26.8 -57.8 548 238 B L H 3< S+ 0 0 0 -4,-2.3 -48,-0.2 1,-0.3 -1,-0.2 0.773 106.9 52.0 -68.1 -25.7 16.0 25.8 -59.8 549 239 B F T 3< S+ 0 0 8 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.074 73.5 139.7 -99.6 23.1 14.5 27.1 -63.0 550 240 B K < - 0 0 101 -3,-1.4 6,-0.1 1,-0.1 -22,-0.1 -0.479 56.3-131.4 -61.5 138.1 13.6 30.6 -61.8 551 241 B R S S+ 0 0 52 -2,-0.1 -68,-0.2 -24,-0.1 -1,-0.1 0.847 91.6 65.3 -63.8 -39.3 14.4 33.1 -64.6 552 242 B N S > S- 0 0 101 1,-0.1 3,-2.2 -70,-0.1 4,-0.5 -0.781 81.2-140.6 -88.0 121.9 16.3 35.5 -62.3 553 243 B P G > S+ 0 0 17 0, 0.0 3,-2.0 0, 0.0 -1,-0.1 0.857 99.7 57.8 -51.1 -41.2 19.5 34.0 -61.0 554 244 B R G 3 S+ 0 0 211 1,-0.3 4,-0.1 -3,-0.1 -3,-0.0 0.647 99.1 60.3 -71.3 -9.9 19.1 35.5 -57.5 555 245 B D G < S+ 0 0 100 -3,-2.2 -1,-0.3 -5,-0.1 -4,-0.1 0.546 87.3 91.6 -87.4 -8.4 15.7 33.8 -57.1 556 246 B R S < S- 0 0 4 -3,-2.0 -8,-0.2 -4,-0.5 -59,-0.1 -0.646 86.8-108.6 -83.4 147.3 17.3 30.4 -57.5 557 247 B P - 0 0 14 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.367 29.1-114.7 -72.6 150.4 18.3 28.7 -54.2 558 248 B S > - 0 0 42 1,-0.1 4,-2.1 -4,-0.1 5,-0.1 -0.385 29.3-110.1 -72.0 163.6 22.0 28.4 -53.3 559 249 B V H > S+ 0 0 4 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.886 121.7 55.2 -66.6 -35.5 23.4 24.9 -53.1 560 250 B N H > S+ 0 0 53 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.929 107.5 50.6 -58.5 -42.1 23.6 25.3 -49.3 561 251 B S H > S+ 0 0 44 1,-0.2 4,-0.5 2,-0.2 -2,-0.2 0.881 108.0 51.3 -64.7 -38.4 20.0 26.2 -49.3 562 252 B I H >< S+ 0 0 0 -4,-2.1 3,-1.0 1,-0.2 -1,-0.2 0.908 108.6 51.9 -61.8 -43.9 19.1 23.1 -51.3 563 253 B L H 3< S+ 0 0 1 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.744 102.4 59.9 -70.3 -23.8 21.0 20.9 -48.9 564 254 B E H 3< S+ 0 0 102 -4,-1.4 2,-0.2 -3,-0.2 -1,-0.2 0.609 77.5 109.0 -77.9 -11.8 19.1 22.3 -45.8 565 255 B K S XX S- 0 0 53 -3,-1.0 4,-3.5 -4,-0.5 3,-1.8 -0.509 76.4-128.5 -67.1 131.2 15.8 21.1 -47.2 566 256 B G H 3> S+ 0 0 51 1,-0.3 4,-2.1 -2,-0.2 5,-0.1 0.835 103.3 55.5 -53.1 -47.7 14.6 18.3 -45.0 567 257 B F H 34 S+ 0 0 20 1,-0.2 -1,-0.3 2,-0.2 -2,-0.1 0.678 121.8 32.0 -64.4 -15.0 13.9 15.7 -47.7 568 258 B I H X4 S+ 0 0 0 -3,-1.8 3,-2.2 -6,-0.2 4,-0.5 0.783 112.2 60.4-103.9 -46.8 17.5 16.1 -48.9 569 259 B A H >< S+ 0 0 13 -4,-3.5 3,-1.6 1,-0.3 4,-0.5 0.855 95.8 63.5 -48.7 -42.8 19.3 16.9 -45.7 570 260 B K T 3< S+ 0 0 133 -4,-2.1 -1,-0.3 1,-0.3 4,-0.1 0.642 101.3 53.2 -62.2 -14.3 18.3 13.6 -44.2 571 261 B R T X S+ 0 0 13 -3,-2.2 3,-1.4 -5,-0.1 4,-0.3 0.616 82.9 85.6 -93.9 -16.4 20.4 11.8 -46.9 572 262 B I G X> S+ 0 0 2 -3,-1.6 3,-2.3 -4,-0.5 4,-1.7 0.869 81.5 61.8 -58.3 -38.5 23.8 13.6 -46.4 573 263 B E G 34 S+ 0 0 76 -4,-0.5 -1,-0.3 1,-0.3 -2,-0.1 0.717 92.7 65.2 -65.5 -22.5 24.9 11.3 -43.6 574 264 B K G <4 S+ 0 0 115 -3,-1.4 -1,-0.3 1,-0.1 -2,-0.2 0.685 114.5 30.5 -64.6 -18.8 24.8 8.3 -46.0 575 265 B F T <4 S+ 0 0 56 -3,-2.3 2,-0.4 -4,-0.3 -2,-0.2 0.666 112.3 53.1-122.9 -23.0 27.6 9.9 -48.0 576 266 B L S < S- 0 0 9 -4,-1.7 -1,-0.2 -205,-0.0 -152,-0.0 -0.946 74.3-122.3-119.1 144.3 29.9 12.0 -45.8 577 267 B S > - 0 0 54 -2,-0.4 4,-2.8 1,-0.1 5,-0.2 -0.345 34.7-105.2 -69.3 159.3 31.8 11.1 -42.7 578 268 B P H > S+ 0 0 60 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.881 121.4 54.3 -55.2 -40.3 31.1 13.1 -39.5 579 269 B Q H > S+ 0 0 117 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.918 110.5 44.3 -61.5 -45.8 34.5 14.8 -39.9 580 270 B L H > S+ 0 0 46 2,-0.2 4,-3.4 1,-0.2 5,-0.3 0.888 112.3 52.9 -66.1 -39.3 33.7 16.0 -43.5 581 271 B I H X S+ 0 0 7 -4,-2.8 4,-2.4 2,-0.2 5,-0.4 0.942 111.5 46.2 -61.0 -46.9 30.2 17.1 -42.5 582 272 B A H X>S+ 0 0 0 -4,-2.7 5,-2.8 -5,-0.2 4,-1.7 0.921 117.8 43.2 -60.7 -45.3 31.7 19.2 -39.7 583 273 B E H <>S+ 0 0 37 -4,-2.4 5,-2.0 3,-0.2 -2,-0.2 0.937 118.5 42.1 -65.1 -49.5 34.3 20.6 -42.0 584 274 B E H <5S+ 0 0 13 -4,-3.4 -2,-0.2 1,-0.2 -3,-0.2 0.884 128.7 25.8 -67.4 -40.5 32.1 21.3 -45.0 585 275 B F H <5S+ 0 0 14 -4,-2.4 -3,-0.2 -5,-0.3 -2,-0.2 0.692 135.2 13.0-101.8 -22.0 29.1 22.7 -43.2 586 276 B a T <5S+ 0 0 6 -4,-1.7 -3,-0.2 -5,-0.4 -4,-0.1 0.766 121.2 34.2-125.2 -49.0 30.3 24.2 -39.9 587 277 B L T