==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=16-SEP-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 04-SEP-12 4B9D . 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, . 584 6 2 0 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 30008.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 368 63.0 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 13.7 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 . 21 3.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 59 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 183 31.3 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 0 151 0, 0.0 2,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -11.3 30.3 -23.8 -43.4 2 -19 A H - 0 0 113 1,-0.0 2,-0.3 2,-0.0 0, 0.0 -0.621 360.0-156.5 -66.1 117.0 33.0 -24.6 -46.0 3 -18 A H 0 0 93 -2,-0.5 -1,-0.0 0, 0.0 0, 0.0 -0.685 360.0 360.0-120.3 149.3 34.1 -21.0 -46.7 4 -17 A H 0 0 236 -2,-0.3 -2,-0.0 0, 0.0 0, 0.0 -0.947 360.0 360.0-161.2 360.0 35.7 -18.4 -48.9 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 -7 A T 0 0 191 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -15.5 27.3 -14.6 -35.5 7 -6 A E - 0 0 100 1,-0.1 2,-0.3 74,-0.0 74,-0.0 -0.571 360.0-130.8 -71.4 132.0 24.0 -12.6 -35.3 8 -5 A N - 0 0 91 -2,-0.3 2,-0.4 72,-0.0 74,-0.4 -0.598 17.9-161.1 -93.4 151.2 23.3 -12.0 -31.7 9 -4 A L + 0 0 114 -2,-0.3 2,-0.3 71,-0.1 71,-0.2 -0.994 15.7 166.6-130.2 127.6 20.0 -12.7 -30.0 10 -3 A Y B +A 79 0A 102 69,-1.7 69,-2.3 -2,-0.4 2,-0.3 -0.985 3.3 152.8-142.5 136.6 18.9 -11.1 -26.7 11 -2 A F - 0 0 155 -2,-0.3 67,-0.1 67,-0.2 3,-0.1 -0.968 26.6-166.3-158.8 155.6 15.6 -10.8 -24.9 12 -1 A Q S S+ 0 0 96 65,-0.4 2,-0.3 -2,-0.3 66,-0.1 0.322 75.3 18.0-119.1 -4.2 14.3 -10.5 -21.4 13 0 A S - 0 0 49 2,-0.1 -1,-0.2 1,-0.0 63,-0.0 -0.979 66.3-119.5-163.3 161.7 10.6 -11.4 -21.8 14 1 A M + 0 0 164 -2,-0.3 -1,-0.0 -3,-0.1 0, 0.0 0.571 66.8 130.3 -81.8 -8.6 8.0 -13.0 -24.2 15 2 A E - 0 0 38 1,-0.1 2,-0.3 16,-0.0 -2,-0.1 -0.133 45.6-152.0 -56.3 131.7 6.1 -9.8 -24.6 16 3 A K - 0 0 132 2,-0.0 16,-2.5 0, 0.0 17,-0.5 -0.821 4.1-151.9-107.6 147.6 5.4 -9.0 -28.3 17 4 A Y E -B 31 0A 38 -2,-0.3 2,-0.5 14,-0.2 14,-0.2 -0.958 4.2-146.1-121.6 139.8 4.9 -5.5 -29.8 18 5 A V E -B 30 0A 74 12,-3.3 12,-1.9 -2,-0.4 2,-0.3 -0.891 23.9-122.7-103.8 127.5 2.9 -4.4 -32.8 19 6 A R E +B 29 0A 183 -2,-0.5 10,-0.2 10,-0.2 3,-0.1 -0.497 36.0 167.2 -65.8 127.3 4.3 -1.4 -34.9 20 7 A L E - 0 0 91 8,-3.1 2,-0.3 1,-0.4 9,-0.2 0.774 57.4 -25.5-104.1 -40.2 1.7 1.3 -35.1 21 8 A Q E -B 28 0A 123 7,-1.5 7,-3.2 0, 0.0 -1,-0.4 -0.969 55.7-105.0-174.0 143.0 3.5 4.3 -36.5 22 9 A K E B 27 0A 101 -2,-0.3 5,-0.2 5,-0.2 7,-0.0 -0.618 360.0 360.0 -74.4 146.9 6.9 6.1 -36.8 23 10 A I 0 0 112 3,-2.5 4,-0.2 -2,-0.2 -1,-0.1 0.446 360.0 360.0-133.5 360.0 7.2 9.1 -34.4 24 ! 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 25 17 A K 0 0 102 0, 0.0 17,-2.0 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 32.9 14.1 5.5 -35.8 26 18 A A E - C 0 41A 31 15,-0.2 -3,-2.5 13,-0.0 2,-0.4 -0.844 360.0-164.5 -86.6 132.9 11.6 5.9 -32.9 27 19 A I E -BC 22 40A 21 13,-3.1 13,-2.3 -2,-0.4 2,-0.5 -0.965 18.6-135.2-124.9 130.6 8.5 3.7 -33.3 28 20 A L E +BC 21 39A 8 -7,-3.2 -8,-3.1 -2,-0.4 -7,-1.5 -0.715 37.0 176.0 -81.6 126.2 5.1 3.8 -31.5 29 21 A V E -BC 19 38A 3 9,-2.9 9,-2.4 -2,-0.5 2,-0.4 -0.859 25.7-141.8-129.1 162.7 4.1 0.2 -30.6 30 22 A K E -BC 18 37A 19 -12,-1.9 -12,-3.3 -2,-0.3 2,-0.2 -0.988 25.8-120.0-121.5 134.7 1.3 -1.6 -28.8 31 23 A S E > -B 17 0A 4 5,-3.0 4,-1.7 -2,-0.4 -14,-0.2 -0.548 8.9-147.1 -66.9 135.3 1.8 -4.6 -26.6 32 24 A T T 4 S+ 0 0 87 -16,-2.5 -1,-0.1 -2,-0.2 -15,-0.1 0.643 95.4 65.4 -77.6 -17.3 -0.1 -7.7 -27.8 33 25 A E T 4 S- 0 0 148 -17,-0.5 -1,-0.1 3,-0.1 -16,-0.1 0.998 130.8 -12.7 -59.6 -71.2 -0.4 -8.7 -24.1 34 26 A D T 4 S- 0 0 78 2,-0.1 -2,-0.2 0, 0.0 -1,-0.1 0.179 89.0-109.4-127.1 15.0 -2.6 -5.8 -22.9 35 27 A G < + 0 0 50 -4,-1.7 -3,-0.1 1,-0.2 2,-0.1 0.522 63.4 152.8 67.8 5.3 -2.6 -3.2 -25.6 36 28 A R - 0 0 129 -6,-0.1 -5,-3.0 1,-0.1 2,-0.3 -0.398 43.0-119.9 -68.9 146.6 -0.5 -0.7 -23.7 37 29 A Q E +C 30 0A 79 -7,-0.2 53,-0.8 53,-0.1 2,-0.3 -0.635 35.5 169.5 -93.7 145.5 1.5 1.7 -25.8 38 30 A Y E -CD 29 89A 4 -9,-2.4 -9,-2.9 -2,-0.3 2,-0.4 -0.917 29.8-122.3-144.6 163.5 5.3 2.0 -25.8 39 31 A V E -CD 28 88A 19 49,-2.7 49,-3.2 -2,-0.3 2,-0.4 -0.959 22.3-163.0-111.5 136.1 8.0 3.6 -27.8 40 32 A I E -CD 27 87A 8 -13,-2.3 -13,-3.1 -2,-0.4 2,-0.5 -0.986 4.1-159.3-121.2 125.8 10.8 1.5 -29.3 41 33 A K E -CD 26 86A 13 45,-2.2 45,-2.7 -2,-0.4 2,-0.5 -0.918 12.8-152.5-101.7 129.3 14.1 3.0 -30.6 42 34 A E E - D 0 85A 65 -17,-2.0 2,-0.5 -2,-0.5 43,-0.2 -0.902 10.3-171.4-107.2 131.4 16.0 0.9 -33.1 43 35 A I E - D 0 84A 31 41,-3.1 41,-2.9 -2,-0.5 2,-0.4 -0.990 22.4-131.7-120.7 125.5 19.7 1.0 -33.4 44 36 A N E + D 0 83A 52 -2,-0.5 39,-0.2 39,-0.2 38,-0.1 -0.643 33.3 166.3 -75.4 131.9 21.5 -0.8 -36.2 45 37 A I > + 0 0 7 37,-2.6 3,-2.3 -2,-0.4 38,-0.2 0.735 57.9 75.2-113.9 -38.6 24.3 -2.7 -34.8 46 38 A S T 3 S+ 0 0 73 36,-2.1 37,-0.1 1,-0.3 36,-0.1 0.701 97.0 51.6 -55.1 -27.7 25.4 -5.2 -37.5 47 39 A R T 3 S+ 0 0 204 35,-0.3 -1,-0.3 2,-0.0 2,-0.3 0.033 92.0 101.5 -98.5 25.5 27.2 -2.4 -39.5 48 40 A M S < S- 0 0 56 -3,-2.3 -3,-0.1 1,-0.1 3,-0.0 -0.765 72.0-115.5-101.3 155.4 29.2 -1.1 -36.5 49 41 A S > - 0 0 62 -2,-0.3 4,-1.4 1,-0.1 -1,-0.1 -0.046 36.0 -97.7 -68.2-179.8 32.9 -1.8 -35.8 50 42 A S H > S+ 0 0 88 2,-0.2 4,-2.1 3,-0.1 3,-0.2 0.969 125.8 47.4 -62.0 -54.2 34.2 -3.7 -32.8 51 43 A K H > S+ 0 0 102 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.917 111.4 49.3 -52.9 -52.5 34.8 -0.4 -30.9 52 44 A E H > S+ 0 0 61 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.823 111.3 49.8 -61.9 -35.3 31.4 1.1 -31.7 53 45 A R H X S+ 0 0 85 -4,-1.4 4,-2.3 2,-0.2 -1,-0.2 0.855 107.7 53.1 -70.7 -37.8 29.6 -2.0 -30.6 54 46 A E H X S+ 0 0 57 -4,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.905 112.4 46.1 -65.1 -37.2 31.4 -2.1 -27.4 55 47 A E H X S+ 0 0 61 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.840 110.8 51.3 -72.8 -36.7 30.4 1.5 -26.8 56 48 A S H X S+ 0 0 12 -4,-2.0 4,-2.7 2,-0.2 5,-0.2 0.915 110.4 49.7 -65.8 -41.1 26.7 0.9 -27.7 57 49 A R H X S+ 0 0 82 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.917 111.2 49.3 -62.2 -42.2 26.5 -2.0 -25.4 58 50 A R H X S+ 0 0 65 -4,-1.8 4,-1.8 1,-0.2 -2,-0.2 0.921 111.0 50.3 -61.7 -46.0 28.1 0.2 -22.7 59 51 A E H X S+ 0 0 39 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.920 110.5 49.0 -56.4 -46.0 25.5 3.0 -23.4 60 52 A V H X S+ 0 0 16 -4,-2.7 4,-3.3 1,-0.2 -2,-0.2 0.908 107.7 53.7 -68.4 -38.2 22.5 0.6 -23.2 61 53 A A H X S+ 0 0 50 -4,-2.2 4,-1.2 2,-0.2 -1,-0.2 0.903 109.7 48.8 -59.1 -40.6 23.6 -0.9 -20.0 62 54 A V H >X S+ 0 0 37 -4,-1.8 4,-0.9 1,-0.2 3,-0.6 0.954 113.4 46.7 -63.7 -48.3 23.8 2.7 -18.6 63 55 A L H >< S+ 0 0 8 -4,-2.6 3,-0.9 1,-0.2 11,-0.2 0.910 109.2 55.5 -55.7 -44.8 20.3 3.4 -20.0 64 56 A A H 3< S+ 0 0 33 -4,-3.3 -1,-0.2 1,-0.2 -2,-0.2 0.774 110.1 44.3 -66.3 -23.0 19.0 0.1 -18.6 65 57 A N H << S+ 0 0 141 -4,-1.2 2,-0.3 -3,-0.6 -1,-0.2 0.568 88.4 105.7 -98.1 -7.5 20.1 0.9 -15.0 66 58 A M << + 0 0 16 -3,-0.9 8,-0.4 -4,-0.9 2,-0.4 -0.538 41.1 169.8 -77.5 131.0 18.9 4.5 -14.9 67 59 A K + 0 0 133 -2,-0.3 5,-0.1 6,-0.1 6,-0.1 -0.947 10.8 139.2-145.2 122.5 15.7 5.1 -12.9 68 60 A H > - 0 0 7 -2,-0.4 3,-1.7 3,-0.3 55,-0.0 -0.948 55.0-120.4-158.8 144.6 14.3 8.6 -11.9 69 61 A P T 3 S+ 0 0 54 0, 0.0 4,-0.1 0, 0.0 54,-0.0 0.708 114.6 47.8 -62.3 -19.6 10.8 10.0 -11.8 70 62 A N T 3 S+ 0 0 3 81,-0.1 82,-3.2 2,-0.1 2,-0.4 0.154 97.1 80.9-110.5 16.8 11.8 12.7 -14.4 71 63 A I B < S-f 152 0B 7 -3,-1.7 -3,-0.3 80,-0.3 82,-0.2 -0.975 94.9 -98.5-116.5 137.8 13.5 10.4 -16.9 72 64 A V - 0 0 5 80,-2.5 2,-0.5 -2,-0.4 -2,-0.1 -0.276 50.3-109.9 -53.6 134.0 11.5 8.3 -19.5 73 65 A Q - 0 0 53 -4,-0.1 16,-2.4 -6,-0.1 2,-0.2 -0.589 22.1-137.9 -84.6 123.7 11.2 4.9 -18.0 74 66 A Y E - E 0 88A 22 -2,-0.5 14,-0.3 -8,-0.4 3,-0.1 -0.538 21.3-179.3 -69.6 136.1 13.2 2.1 -19.7 75 67 A R E - 0 0 83 12,-3.5 2,-0.3 1,-0.4 13,-0.2 0.803 53.6 -53.2-105.2 -55.6 11.1 -1.1 -20.0 76 68 A E E - E 0 87A 11 11,-1.2 11,-3.2 2,-0.0 -1,-0.4 -0.968 43.9-130.5-167.7 175.5 13.5 -3.6 -21.7 77 69 A S E - E 0 86A 7 -2,-0.3 -65,-0.4 9,-0.2 2,-0.3 -0.947 16.5-174.0-134.9 162.6 15.7 -4.2 -24.7 78 70 A F E - E 0 85A 28 7,-2.0 7,-2.8 -2,-0.3 2,-0.4 -0.981 12.8-144.5-150.7 157.1 16.1 -6.9 -27.3 79 71 A E E +AE 10 84A 20 -69,-2.3 -69,-1.7 -2,-0.3 2,-0.3 -0.993 33.3 134.0-126.7 135.9 18.4 -7.8 -30.1 80 72 A E E > + E 0 83A 83 3,-2.0 3,-2.0 -2,-0.4 -71,-0.1 -0.929 60.4 20.9-170.2 152.7 17.5 -9.5 -33.4 81 73 A N T 3 S- 0 0 119 -2,-0.3 3,-0.1 1,-0.3 -72,-0.1 0.731 128.0 -56.8 55.2 30.8 18.1 -9.2 -37.1 82 74 A G T 3 S+ 0 0 15 -74,-0.4 -37,-2.6 1,-0.3 -36,-2.1 0.566 116.3 101.9 79.9 9.9 21.2 -7.0 -36.7 83 75 A S E < -DE 44 80A 4 -3,-2.0 -3,-2.0 -39,-0.2 2,-0.4 -0.906 61.7-140.9-124.0 157.2 19.5 -4.4 -34.6 84 76 A L E -DE 43 79A 7 -41,-2.9 -41,-3.1 -2,-0.3 2,-0.4 -0.913 20.1-160.1-107.8 137.9 19.2 -3.4 -31.0 85 77 A Y E -DE 42 78A 19 -7,-2.8 -7,-2.0 -2,-0.4 2,-0.5 -0.987 4.9-161.0-124.7 130.7 15.7 -2.3 -29.8 86 78 A I E -DE 41 77A 0 -45,-2.7 -45,-2.2 -2,-0.4 2,-0.5 -0.956 9.6-155.3-111.6 123.7 15.1 -0.2 -26.7 87 79 A V E +DE 40 76A 0 -11,-3.2 -12,-3.5 -2,-0.5 -11,-1.2 -0.852 22.0 164.4-101.1 127.0 11.6 -0.3 -25.3 88 80 A M E -DE 39 74A 15 -49,-3.2 -49,-2.7 -2,-0.5 -14,-0.2 -0.902 40.4 -76.2-135.4 169.7 10.4 2.6 -23.2 89 81 A D E -D 38 0A 64 -16,-2.4 2,-0.6 -2,-0.3 -51,-0.2 -0.267 40.5-124.5 -64.6 143.5 7.3 4.2 -21.8 90 82 A Y - 0 0 74 -53,-0.8 2,-0.9 -61,-0.1 -53,-0.1 -0.829 17.4-144.7 -88.4 120.7 5.0 6.2 -24.1 91 83 A C > - 0 0 12 -2,-0.6 3,-1.7 1,-0.1 53,-0.2 -0.761 9.0-158.1 -88.3 107.8 4.5 9.7 -22.6 92 84 A E T 3 S+ 0 0 104 -2,-0.9 53,-0.2 1,-0.3 -1,-0.1 0.672 82.8 63.5 -65.3 -19.6 0.9 10.5 -23.6 93 85 A G T 3 S- 0 0 43 51,-2.4 -1,-0.3 1,-0.2 52,-0.2 0.461 98.7-138.6 -84.5 -2.3 1.2 14.3 -23.4 94 86 A G < - 0 0 28 -3,-1.7 50,-2.3 50,-0.5 -1,-0.2 -0.171 36.9 -34.1 75.2-169.3 3.8 14.5 -26.2 95 87 A D B > -G 143 0B 36 48,-0.2 4,-1.7 1,-0.1 48,-0.3 -0.498 46.2-120.6 -92.0 159.0 6.9 16.6 -26.4 96 88 A L H > S+ 0 0 0 46,-2.6 4,-2.5 43,-0.9 44,-0.2 0.770 109.8 66.4 -65.5 -31.4 7.6 20.1 -25.0 97 89 A F H > S+ 0 0 76 42,-1.4 4,-2.1 45,-0.3 -1,-0.2 0.965 106.9 40.5 -52.6 -52.5 8.3 21.3 -28.6 98 90 A K H > S+ 0 0 95 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.887 112.7 55.3 -63.5 -39.7 4.7 20.7 -29.5 99 91 A R H X S+ 0 0 80 -4,-1.7 4,-0.6 2,-0.2 -1,-0.2 0.896 107.5 49.9 -62.2 -39.2 3.4 22.1 -26.2 100 92 A I H >< S+ 0 0 6 -4,-2.5 3,-1.3 1,-0.2 5,-0.4 0.942 111.2 48.1 -64.5 -50.2 5.3 25.3 -26.8 101 93 A N H >< S+ 0 0 93 -4,-2.1 3,-1.9 1,-0.2 -2,-0.2 0.836 101.0 66.4 -59.1 -34.6 3.8 25.7 -30.3 102 94 A A H 3< S+ 0 0 63 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.691 86.1 70.3 -63.7 -18.6 0.3 25.0 -29.0 103 95 A Q T X< S- 0 0 39 -3,-1.3 3,-2.2 -4,-0.6 -1,-0.3 0.695 90.5-151.3 -66.4 -19.0 0.5 28.3 -27.0 104 96 A K T < S- 0 0 138 -3,-1.9 -3,-0.1 1,-0.3 -2,-0.1 0.900 72.9 -39.6 45.4 50.5 0.3 30.0 -30.4 105 97 A G T 3 S+ 0 0 62 -5,-0.4 2,-0.6 1,-0.2 -1,-0.3 0.247 106.0 128.4 88.3 -12.4 2.2 33.0 -29.1 106 98 A V < - 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0 0 107 -5,-3.2 -1,-0.2 1,-0.1 -2,-0.1 -0.526 60.5 -61.2 -99.9 170.2 36.6 22.4 -28.6 187 179 A P - 0 0 102 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.225 45.1-125.4 -63.1 138.7 35.7 19.6 -26.2 188 180 A Y + 0 0 32 -27,-0.5 2,-0.3 -7,-0.1 -27,-0.2 -0.597 43.8 163.6 -71.0 136.0 32.1 18.7 -25.3 189 181 A N >> - 0 0 38 -2,-0.3 3,-1.5 -29,-0.1 4,-1.0 -0.860 54.7 -80.6-147.5 177.2 31.6 18.7 -21.6 190 182 A N H 3> S+ 0 0 70 1,-0.3 4,-1.2 -2,-0.3 3,-0.4 0.822 125.1 58.7 -53.8 -32.3 28.9 18.9 -18.9 191 183 A K H 3> S+ 0 0 31 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.724 94.9 63.8 -75.0 -19.8 28.6 22.6 -19.3 192 184 A S H <> S+ 0 0 2 -3,-1.5 4,-1.7 2,-0.2 -1,-0.2 0.865 102.0 50.5 -66.5 -36.2 27.7 22.1 -23.0 193 185 A D H X S+ 0 0 0 -4,-1.0 4,-2.4 -3,-0.4 -2,-0.2 0.862 106.3 55.9 -63.6 -39.3 24.7 20.2 -21.6 194 186 A I H X S+ 0 0 0 -4,-1.2 4,-2.1 2,-0.2 -2,-0.2 0.891 103.8 53.2 -60.8 -42.1 24.0 23.4 -19.5 195 187 A W H X S+ 0 0 1 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.948 110.0 47.7 -54.1 -49.7 24.0 25.6 -22.6 196 188 A A H X S+ 0 0 6 -4,-1.7 4,-1.9 1,-0.2 -2,-0.2 0.875 108.3 54.5 -62.8 -40.3 21.3 23.2 -24.1 197 189 A L H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.896 107.0 52.5 -54.5 -42.7 19.4 23.4 -20.9 198 190 A G H X S+ 0 0 0 -4,-2.1 4,-2.6 48,-0.2 -2,-0.2 0.873 105.6 53.4 -60.2 -40.8 19.5 27.2 -21.3 199 191 A C H X S+ 0 0 3 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.910 110.1 47.7 -61.7 -40.5 18.1 26.9 -24.9 200 192 A V H X S+ 0 0 0 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.937 111.9 49.3 -66.5 -47.9 15.2 24.9 -23.5 201 193 A L H X S+ 0 0 0 -4,-2.6 4,-1.8 1,-0.2 -2,-0.2 0.904 110.3 51.3 -56.1 -41.8 14.5 27.4 -20.8 202 194 A Y H X S+ 0 0 7 -4,-2.6 4,-2.0 2,-0.2 6,-0.4 0.909 107.7 52.7 -63.8 -41.8 14.7 30.2 -23.3 203 195 A E H X S+ 0 0 7 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.878 109.1 49.7 -58.1 -39.6 12.1 28.4 -25.5 204 196 A L H < S+ 0 0 0 -4,-2.1 -96,-0.5 1,-0.2 -1,-0.2 0.842 114.3 45.6 -68.3 -34.4 9.9 28.1 -22.5 205 197 A C H < S+ 0 0 1 -4,-1.8 27,-0.3 -5,-0.2 -2,-0.2 0.755 132.4 15.0 -78.7 -28.2 10.3 31.9 -21.8 206 198 A T H < S- 0 0 20 -4,-2.0 -3,-0.2 2,-0.3 -2,-0.2 0.496 89.3-125.1-124.7 -12.8 9.8 33.2 -25.3 207 199 A L S < S+ 0 0 27 -4,-2.2 2,-0.3 -5,-0.4 -4,-0.2 0.641 84.6 86.3 68.0 15.3 8.3 30.4 -27.4 208 200 A K S S- 0 0 116 -6,-0.4 -2,-0.3 -5,-0.0 2,-0.2 -0.918 87.3 -93.4-136.5 162.0 11.2 30.8 -29.8 209 201 A H - 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0 0 41 -2,-0.5 -17,-0.1 -3,-0.1 -18,-0.1 -0.955 48.9 -85.6-140.5 154.1 9.4 23.8 -70.4 526 221 B P - 0 0 74 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.437 56.7-107.9 -63.3 128.6 7.3 20.7 -70.3 527 222 B P - 0 0 110 0, 0.0 3,-0.1 0, 0.0 2,-0.1 -0.250 31.8-107.7 -60.2 146.5 6.2 20.0 -66.7 528 223 B V - 0 0 11 1,-0.2 -25,-0.1 9,-0.1 -29,-0.0 -0.357 51.4 -77.5 -63.4 149.6 7.7 17.0 -64.8 529 224 B S > - 0 0 50 -27,-0.3 3,-1.7 1,-0.1 -1,-0.2 -0.246 36.9-132.9 -49.4 131.9 5.5 13.9 -64.1 530 225 B L T 3 S+ 0 0 131 1,-0.3 -1,-0.1 -3,-0.1 7,-0.1 0.528 97.9 77.7 -71.0 -7.1 3.1 14.6 -61.3 531 226 B H T 3 S+ 0 0 114 2,-0.1 -1,-0.3 3,-0.0 2,-0.1 0.746 77.9 89.5 -75.7 -18.7 4.0 11.3 -59.7 532 227 B Y S < S- 0 0 2 -3,-1.7 -126,-0.0 1,-0.1 -30,-0.0 -0.438 95.5 -90.1 -69.9 149.1 7.2 13.0 -58.4 533 228 B S > - 0 0 38 1,-0.1 4,-2.4 -2,-0.1 5,-0.2 -0.134 26.7-116.2 -58.2 156.8 6.8 14.7 -55.0 534 229 B Y H > S+ 0 0 160 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.858 115.7 58.7 -56.2 -41.7 5.8 18.3 -54.6 535 230 B D H > S+ 0 0 80 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.915 110.0 41.7 -56.7 -48.6 9.2 19.0 -53.1 536 231 B L H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.914 115.4 48.6 -67.4 -45.5 11.1 17.7 -56.2 537 232 B R H X S+ 0 0 72 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.908 112.1 49.6 -63.6 -40.9 8.7 19.4 -58.7 538 233 B S H X S+ 0 0 39 -4,-2.8 4,-2.1 2,-0.2 -1,-0.2 0.884 108.7 52.9 -65.0 -38.0 8.9 22.7 -56.8 539 234 B L H X S+ 0 0 1 -4,-1.8 4,-2.1 -5,-0.2 5,-0.2 0.947 106.0 53.8 -63.8 -45.5 12.8 22.5 -56.7 540 235 B V H X S+ 0 0 1 -4,-2.3 4,-1.0 1,-0.2 -1,-0.2 0.906 109.6 48.5 -52.1 -47.7 12.9 22.0 -60.5 541 236 B S H < S+ 0 0 60 -4,-1.8 3,-0.4 1,-0.2 -1,-0.2 0.877 109.4 52.3 -61.7 -41.4 10.8 25.2 -60.9 542 237 B Q H >< S+ 0 0 30 -4,-2.1 3,-1.3 1,-0.2 -1,-0.2 0.843 105.8 53.5 -64.3 -37.8 13.0 27.2 -58.6 543 238 B L H 3< S+ 0 0 0 -4,-2.1 -48,-0.2 1,-0.3 -1,-0.2 0.747 107.7 53.2 -69.5 -23.7 16.2 26.3 -60.5 544 239 B F T 3< S+ 0 0 8 -4,-1.0 -1,-0.3 -3,-0.4 -2,-0.2 0.091 74.4 140.2 -99.2 21.4 14.6 27.5 -63.8 545 240 B K < - 0 0 101 -3,-1.3 6,-0.1 1,-0.1 -22,-0.1 -0.440 54.9-134.0 -62.7 136.7 13.7 30.9 -62.5 546 241 B R S S+ 0 0 58 -24,-0.1 -68,-0.2 -2,-0.1 -1,-0.1 0.911 91.3 65.3 -61.4 -42.2 14.3 33.4 -65.3 547 242 B N S > S- 0 0 85 1,-0.1 3,-1.9 -70,-0.1 4,-0.4 -0.727 79.9-143.0 -86.8 118.5 16.1 35.9 -63.0 548 243 B P G > S+ 0 0 18 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 0.841 98.9 59.6 -48.7 -40.2 19.4 34.5 -61.6 549 244 B R G 3 S+ 0 0 205 1,-0.3 4,-0.1 -3,-0.0 -3,-0.0 0.729 99.4 57.6 -71.9 -12.6 18.8 36.1 -58.3 550 245 B D G < S+ 0 0 102 -3,-1.9 -1,-0.3 2,-0.1 -4,-0.1 0.544 88.5 90.6 -86.3 -9.0 15.6 34.2 -57.8 551 246 B R S < S- 0 0 3 -3,-1.7 -8,-0.1 -4,-0.4 2,-0.1 -0.671 86.0-110.4 -83.6 144.2 17.3 30.8 -58.2 552 247 B P - 0 0 19 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.416 27.1-114.6 -72.1 149.7 18.5 29.3 -54.9 553 248 B S > - 0 0 36 1,-0.1 4,-2.1 -2,-0.1 5,-0.2 -0.372 30.8-109.3 -69.0 161.1 22.3 29.0 -54.1 554 249 B V H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.912 122.5 56.5 -64.4 -34.3 23.6 25.5 -53.9 555 250 B N H > S+ 0 0 53 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.909 108.1 48.4 -60.1 -40.9 24.0 26.1 -50.1 556 251 B S H > S+ 0 0 47 1,-0.2 4,-0.6 2,-0.2 3,-0.4 0.850 107.8 53.5 -68.1 -36.4 20.3 26.9 -50.0 557 252 B I H >< S+ 0 0 0 -4,-2.1 3,-1.4 1,-0.2 7,-0.2 0.941 107.9 51.2 -61.7 -44.0 19.4 23.8 -52.0 558 253 B L H 3< S+ 0 0 2 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.649 102.6 61.3 -69.8 -16.6 21.3 21.6 -49.5 559 254 B E H 3< S+ 0 0 93 -4,-0.7 2,-0.3 -3,-0.4 -1,-0.3 0.565 77.6 107.3 -86.3 -10.1 19.4 23.3 -46.6 560 255 B K S XX S- 0 0 67 -3,-1.4 4,-3.1 -4,-0.6 3,-1.9 -0.539 77.4-127.2 -69.8 130.7 16.0 22.0 -48.0 561 256 B G H 3> S+ 0 0 56 -2,-0.3 4,-1.9 1,-0.3 -1,-0.1 0.800 104.0 53.1 -51.8 -44.9 14.8 19.1 -45.7 562 257 B F H 34 S+ 0 0 24 1,-0.2 -1,-0.3 2,-0.2 -4,-0.1 0.661 120.0 36.2 -70.7 -16.2 14.3 16.4 -48.3 563 258 B I H X4 S+ 0 0 2 -3,-1.9 3,-2.0 -6,-0.2 4,-0.4 0.820 111.7 58.5 -94.2 -46.6 17.8 17.0 -49.6 564 259 B A H >< S+ 0 0 14 -4,-3.1 3,-1.4 1,-0.3 4,-0.5 0.816 96.2 63.0 -53.9 -40.2 19.6 17.7 -46.3 565 260 B K T 3< S+ 0 0 129 -4,-1.9 -1,-0.3 1,-0.3 -3,-0.1 0.529 102.1 52.4 -65.9 -7.0 18.6 14.3 -44.7 566 261 B R T X S+ 0 0 17 -3,-2.0 3,-1.2 -5,-0.1 4,-0.4 0.552 83.4 85.2-101.4 -13.3 20.6 12.5 -47.4 567 262 B I G X> S+ 0 0 3 -3,-1.4 3,-2.1 -4,-0.4 4,-1.3 0.869 80.4 65.2 -60.7 -38.0 23.9 14.3 -46.9 568 263 B E G 34 S+ 0 0 138 -4,-0.5 -1,-0.3 1,-0.3 -2,-0.1 0.763 93.4 60.8 -56.6 -30.2 24.9 12.0 -44.1 569 264 B K G <4 S+ 0 0 116 -3,-1.2 -1,-0.3 1,-0.2 -2,-0.2 0.699 113.4 36.1 -65.0 -21.4 25.1 9.0 -46.4 570 265 B F T <4 S+ 0 0 49 -3,-2.1 2,-0.4 -4,-0.4 -2,-0.2 0.591 110.8 49.3-116.0 -18.9 27.8 10.7 -48.5 571 266 B L S < S- 0 0 14 -4,-1.3 -1,-0.1 -205,-0.0 -152,-0.0 -0.976 73.5-118.4-131.1 147.8 30.1 12.7 -46.3 572 267 B S > - 0 0 51 -2,-0.4 4,-2.7 1,-0.1 5,-0.2 -0.342 33.4-108.5 -73.9 161.3 32.0 11.9 -43.2 573 268 B P H > S+ 0 0 59 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.907 120.6 54.7 -57.1 -41.6 31.4 13.8 -40.0 574 269 B Q H > S+ 0 0 117 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.929 110.6 44.1 -57.3 -48.8 34.8 15.6 -40.4 575 270 B L H > S+ 0 0 44 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.878 113.1 51.5 -64.8 -38.4 33.9 16.8 -43.9 576 271 B I H X S+ 0 0 5 -4,-2.7 4,-2.5 1,-0.2 5,-0.5 0.974 113.3 44.5 -62.3 -51.8 30.4 17.9 -42.9 577 272 B A H X>S+ 0 0 0 -4,-2.8 5,-2.7 -5,-0.2 4,-1.3 0.891 117.2 45.2 -57.4 -46.7 31.8 19.9 -40.0 578 273 B E H <>S+ 0 0 59 -4,-2.4 5,-2.2 -5,-0.2 -1,-0.2 0.948 120.3 36.0 -66.9 -46.9 34.6 21.4 -42.0 579 274 B E H <5S+ 0 0 13 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.776 126.5 33.7 -87.2 -20.9 32.6 22.4 -45.1 580 275 B F H <5S+ 0 0 27 -4,-2.5 -1,-0.2 -5,-0.3 -3,-0.2 0.645 135.5 9.5-100.5 -19.5 29.3 23.4 -43.6 581 276 B a T <5S+ 0 0 2 -4,-1.3 -3,-0.2 -5,-0.5 -4,-0.1 0.728 120.5 41.3-127.7 -53.3 30.4 24.9 -40.3 582 277 B L T