==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 13-JUN-05 2BUJ . COMPND 2 MOLECULE: SERINE/THREONINE-PROTEIN KINASE 16; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.E.DEBRECZENI,J.ESWARAN,A.BULLOCK,P.FILIPPAKOPOULOS,K.KAVAN . 577 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28342.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 395 68.5 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 . 110 19.1 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 . 34 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 57 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 180 31.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.0 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 0 2 2 0 0 2 3 1 0 0 2 2 2 0 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 . 2 2 2 4 2 1 5 1 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 . 4 0 2 0 0 0 0 0 0 0 1 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 5 A N 0 0 148 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -29.8 -25.9 -1.6 -32.4 2 6 A L + 0 0 57 2,-0.1 2,-0.1 375,-0.0 376,-0.1 0.647 360.0 72.0 -95.4 -21.3 -27.6 -5.0 -33.0 3 7 A Y S S- 0 0 38 301,-0.1 2,-0.3 299,-0.0 301,-0.2 -0.406 78.8-144.6 -71.9 165.8 -24.5 -7.0 -32.3 4 8 A F E -A 303 0A 86 299,-1.2 299,-2.3 -2,-0.1 -2,-0.1 -0.999 11.6-111.7-138.1 146.8 -23.4 -7.1 -28.6 5 9 A Q E +A 302 0A 75 -2,-0.3 2,-0.3 297,-0.2 297,-0.2 -0.339 41.5 160.4 -68.2 147.0 -20.0 -7.2 -26.9 6 10 A G E -A 301 0A 8 295,-1.7 295,-1.7 -2,-0.0 2,-0.4 -0.973 33.3-128.6-158.0 164.3 -18.8 -10.2 -25.0 7 11 A H E +A 300 0A 91 -2,-0.3 11,-2.9 11,-0.3 2,-0.3 -0.929 36.2 166.8-115.9 137.9 -15.6 -11.8 -23.7 8 12 A M E -AB 299 17A 0 291,-1.5 291,-2.0 -2,-0.4 2,-0.3 -0.902 23.7-152.5-146.0 171.1 -14.8 -15.4 -24.6 9 13 A V E - B 0 16A 2 7,-1.8 7,-2.8 -2,-0.3 2,-0.4 -0.926 18.3-129.0-139.2 164.1 -12.2 -18.1 -24.6 10 14 A I E + B 0 15A 51 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.981 25.1 176.7-116.4 128.9 -11.5 -21.2 -26.7 11 15 A I E > S- B 0 14A 3 3,-2.8 3,-1.3 -2,-0.4 68,-0.1 -0.993 74.0 -12.7-136.0 126.4 -10.9 -24.5 -25.0 12 16 A D T 3 S- 0 0 125 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.903 131.0 -53.4 47.5 50.5 -10.5 -27.7 -26.9 13 17 A N T 3 S+ 0 0 149 1,-0.2 2,-0.4 -3,-0.1 -1,-0.3 0.659 116.4 115.6 62.9 21.9 -11.8 -25.9 -30.0 14 18 A K E < -B 11 0A 92 -3,-1.3 -3,-2.8 319,-0.0 2,-0.4 -0.957 61.7-129.0-127.8 141.5 -14.9 -24.7 -28.3 15 19 A H E -B 10 0A 23 316,-0.5 20,-2.2 -2,-0.4 2,-0.4 -0.731 20.5-169.4 -96.6 133.2 -16.0 -21.2 -27.4 16 20 A Y E -BC 9 34A 8 -7,-2.8 -7,-1.8 -2,-0.4 2,-0.5 -0.963 13.9-138.1-123.3 138.2 -17.1 -20.2 -23.9 17 21 A L E -BC 8 33A 19 16,-2.9 16,-2.0 -2,-0.4 -9,-0.2 -0.807 19.1-121.8 -99.4 129.1 -18.7 -16.9 -23.0 18 22 A F E + C 0 32A 70 -11,-2.9 -11,-0.3 -2,-0.5 14,-0.2 -0.452 37.6 164.3 -62.4 137.4 -17.8 -15.0 -19.9 19 23 A I E - 0 0 62 12,-2.3 2,-0.3 1,-0.3 13,-0.2 0.644 55.3 -36.0-117.2 -64.1 -20.8 -14.5 -17.6 20 24 A Q E - C 0 31A 105 11,-1.1 11,-3.6 0, 0.0 -1,-0.3 -0.985 59.4 -87.7-158.3 162.9 -19.6 -13.5 -14.1 21 25 A K E - C 0 30A 67 -2,-0.3 9,-0.2 9,-0.2 3,-0.1 -0.593 31.5-172.4 -72.8 131.4 -16.8 -14.0 -11.5 22 26 A L E - 0 0 68 7,-2.5 2,-0.3 1,-0.3 8,-0.2 0.714 45.0-100.5 -97.7 -31.6 -17.7 -16.9 -9.2 23 27 A G E C 0 29A 28 6,-1.5 6,-2.0 1,-0.1 -1,-0.3 -0.996 360.0 360.0 155.3-155.3 -14.9 -16.4 -6.7 24 28 A E 0 0 152 -2,-0.3 3,-0.2 4,-0.2 -1,-0.1 0.130 360.0 360.0-172.9 360.0 -11.4 -17.5 -5.4 25 ! 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 26 31 A F 0 0 198 0, 0.0 21,-1.9 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 -47.2 -3.5 -17.7 -6.2 27 32 A S E - D 0 46A 12 -3,-0.2 2,-0.3 19,-0.2 19,-0.2 -0.999 360.0-150.1-147.0 150.1 -6.5 -18.6 -8.4 28 33 A Y E - D 0 45A 71 17,-2.3 17,-3.3 -2,-0.3 2,-0.4 -0.824 8.0-153.6-108.3 156.1 -9.8 -17.3 -10.0 29 34 A V E -CD 23 44A 35 -6,-2.0 -7,-2.5 -2,-0.3 -6,-1.5 -0.997 14.5-168.7-129.7 129.0 -13.0 -19.1 -10.9 30 35 A D E -CD 21 43A 11 13,-2.6 13,-3.2 -2,-0.4 2,-0.6 -0.908 22.3-128.2-118.9 141.8 -15.3 -17.7 -13.6 31 36 A L E +CD 20 42A 12 -11,-3.6 -12,-2.3 -2,-0.4 -11,-1.1 -0.791 38.9 175.8 -84.7 123.5 -18.8 -18.7 -14.6 32 37 A V E -CD 18 41A 0 9,-3.0 9,-3.0 -2,-0.6 2,-0.4 -0.927 24.6-138.0-130.5 156.6 -18.8 -19.4 -18.4 33 38 A E E -CD 17 40A 38 -16,-2.0 -16,-2.9 -2,-0.3 2,-0.4 -0.936 18.2-130.4-116.2 129.4 -21.4 -20.6 -20.9 34 39 A G E > -C 16 0A 0 5,-2.8 4,-1.8 -2,-0.4 -18,-0.2 -0.687 11.6-158.6 -79.9 129.2 -20.6 -23.0 -23.6 35 40 A L T 4 S+ 0 0 11 -20,-2.2 275,-0.4 -2,-0.4 -1,-0.1 0.583 87.7 55.4 -89.6 -11.2 -21.9 -21.8 -27.0 36 41 A H T 4 S+ 0 0 51 -21,-0.4 -1,-0.2 3,-0.1 296,-0.1 0.858 126.7 14.4 -78.9 -42.5 -22.0 -25.2 -28.6 37 42 A D T 4 S- 0 0 59 2,-0.1 -2,-0.2 0, 0.0 3,-0.1 0.507 91.2-123.2-120.2 -10.0 -24.2 -26.8 -26.0 38 43 A G < + 0 0 40 -4,-1.8 -3,-0.1 1,-0.3 2,-0.0 0.241 65.7 131.1 86.5 -13.4 -25.8 -24.1 -23.8 39 44 A H - 0 0 117 -6,-0.1 -5,-2.8 1,-0.1 2,-0.3 -0.307 53.6-121.2 -77.7 158.4 -24.5 -25.6 -20.5 40 45 A F E -D 33 0A 91 -7,-0.2 55,-1.1 55,-0.2 2,-0.3 -0.688 27.9-173.9-100.8 150.7 -22.7 -23.6 -17.8 41 46 A Y E -DE 32 94A 18 -9,-3.0 -9,-3.0 -2,-0.3 2,-0.6 -0.964 26.6-129.0-142.8 158.6 -19.3 -24.1 -16.4 42 47 A A E -DE 31 93A 12 51,-2.7 51,-2.3 -2,-0.3 2,-0.7 -0.955 24.8-157.7-109.7 118.3 -16.9 -23.0 -13.7 43 48 A L E -DE 30 92A 0 -13,-3.2 -13,-2.6 -2,-0.6 2,-0.5 -0.888 4.2-159.3-105.7 109.9 -13.5 -22.1 -15.2 44 49 A K E -DE 29 91A 32 47,-3.1 47,-2.5 -2,-0.7 2,-0.5 -0.806 6.1-165.0 -94.7 124.0 -10.8 -22.3 -12.6 45 50 A R E -DE 28 90A 0 -17,-3.3 -17,-2.3 -2,-0.5 2,-0.5 -0.958 1.3-162.1-116.8 121.0 -7.7 -20.3 -13.6 46 51 A I E -DE 27 89A 24 43,-3.3 43,-2.5 -2,-0.5 2,-0.4 -0.903 16.3-132.4-104.8 128.8 -4.4 -20.9 -11.8 47 52 A L E - E 0 88A 53 -21,-1.9 2,-0.5 -2,-0.5 41,-0.2 -0.650 20.4-155.1 -84.1 129.3 -1.7 -18.2 -12.0 48 53 A C E + E 0 87A 12 39,-2.6 39,-0.5 -2,-0.4 3,-0.1 -0.903 33.8 152.7-113.9 129.2 1.8 -19.5 -12.7 49 54 A H S S+ 0 0 152 -2,-0.5 2,-0.3 1,-0.2 -1,-0.1 0.588 74.0 30.2-114.8 -25.9 5.1 -17.8 -11.9 50 55 A E S >> S- 0 0 124 1,-0.1 4,-0.9 0, 0.0 3,-0.8 -0.792 82.9-107.1-128.5 169.6 7.2 -21.0 -11.7 51 56 A Q H 3> S+ 0 0 101 -2,-0.3 4,-1.8 1,-0.2 3,-0.3 0.873 116.1 65.9 -62.2 -39.1 7.5 -24.5 -13.2 52 57 A Q H 3> S+ 0 0 112 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.800 96.9 56.9 -48.4 -35.2 6.2 -25.9 -9.9 53 58 A D H <> S+ 0 0 49 -3,-0.8 4,-1.6 2,-0.2 -1,-0.2 0.907 105.8 47.0 -71.2 -42.5 2.9 -24.1 -10.5 54 59 A R H X S+ 0 0 87 -4,-0.9 4,-2.0 -3,-0.3 -1,-0.2 0.833 114.1 50.8 -60.5 -35.0 2.4 -25.9 -13.9 55 60 A E H X S+ 0 0 115 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.923 107.7 49.9 -72.1 -48.6 3.3 -29.1 -12.1 56 61 A E H X S+ 0 0 69 -4,-2.7 4,-1.9 2,-0.2 -1,-0.2 0.804 113.3 48.4 -56.9 -34.6 0.8 -28.6 -9.2 57 62 A A H X S+ 0 0 1 -4,-1.6 4,-2.5 2,-0.2 -2,-0.2 0.879 109.1 50.8 -78.7 -40.5 -2.0 -27.9 -11.7 58 63 A Q H X S+ 0 0 75 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.933 110.1 53.0 -51.9 -48.0 -1.1 -30.9 -13.9 59 64 A R H X S+ 0 0 115 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.939 110.2 45.5 -55.7 -53.4 -1.3 -33.0 -10.6 60 65 A E H X S+ 0 0 18 -4,-1.9 4,-1.8 1,-0.2 3,-0.3 0.941 111.4 51.5 -58.8 -52.6 -4.8 -31.7 -9.7 61 66 A A H X S+ 0 0 0 -4,-2.5 4,-1.4 1,-0.2 -1,-0.2 0.909 109.5 52.6 -48.9 -43.5 -6.1 -32.2 -13.3 62 67 A D H X S+ 0 0 74 -4,-2.7 4,-0.7 1,-0.2 -1,-0.2 0.861 103.3 55.9 -65.7 -36.8 -4.8 -35.8 -13.1 63 68 A M H >< S+ 0 0 8 -4,-2.0 3,-0.8 -3,-0.3 4,-0.3 0.905 105.4 53.6 -58.3 -43.4 -6.6 -36.5 -9.8 64 69 A H H >< S+ 0 0 4 -4,-1.8 3,-1.2 1,-0.2 -1,-0.2 0.883 107.6 49.5 -60.0 -38.2 -9.9 -35.5 -11.4 65 70 A R H 3< S+ 0 0 138 -4,-1.4 -1,-0.2 1,-0.3 -2,-0.2 0.478 91.2 77.4 -90.4 0.5 -9.4 -38.0 -14.3 66 71 A L T << S+ 0 0 59 -3,-0.8 2,-0.3 -4,-0.7 -1,-0.3 0.671 98.6 51.9 -63.7 -23.1 -8.6 -40.8 -12.0 67 72 A F < - 0 0 17 -3,-1.2 2,-0.1 -4,-0.3 -1,-0.0 -0.924 45.1-179.2-127.6 148.8 -12.4 -41.0 -11.3 68 73 A N + 0 0 161 -2,-0.3 5,-0.1 6,-0.1 -3,-0.1 -0.577 45.9 133.5-134.7 69.3 -15.7 -41.3 -13.1 69 74 A H > - 0 0 50 3,-0.4 3,-1.5 -2,-0.1 -2,-0.1 -0.918 61.9-127.8-126.6 141.6 -18.0 -41.3 -10.1 70 75 A P T 3 S+ 0 0 96 0, 0.0 4,-0.1 0, 0.0 -1,-0.1 0.716 109.3 51.8 -63.4 -21.5 -21.3 -39.3 -9.5 71 76 A N T 3 S+ 0 0 13 87,-0.1 88,-2.3 2,-0.1 2,-0.4 0.119 100.0 73.4-100.8 20.3 -20.0 -38.0 -6.1 72 77 A I B < S-l 159 0B 7 -3,-1.5 -3,-0.4 86,-0.2 88,-0.2 -0.972 89.9-110.6-138.9 122.1 -16.7 -36.7 -7.4 73 78 A L - 0 0 9 86,-2.8 2,-0.2 -2,-0.4 -6,-0.1 -0.184 34.7-139.4 -52.6 125.2 -16.4 -33.6 -9.5 74 79 A R - 0 0 137 -4,-0.1 2,-0.6 -6,-0.0 -9,-0.1 -0.560 7.8-124.4 -88.9 155.5 -15.4 -34.4 -13.1 75 80 A L - 0 0 24 -2,-0.2 18,-0.2 -11,-0.2 3,-0.1 -0.877 18.2-172.9 -96.6 119.9 -12.9 -32.5 -15.2 76 81 A V - 0 0 41 16,-2.2 2,-0.3 -2,-0.6 17,-0.2 0.905 68.8 -19.7 -78.9 -42.3 -14.3 -31.2 -18.5 77 82 A A E -F 92 0A 17 15,-1.1 15,-2.9 2,-0.0 2,-0.4 -0.970 52.0-151.7-163.8 152.8 -10.9 -30.0 -19.9 78 83 A Y E +F 91 0A 36 -2,-0.3 2,-0.3 13,-0.2 13,-0.2 -0.983 26.4 158.2-124.1 139.0 -7.4 -28.9 -18.8 79 84 A C E -F 90 0A 17 11,-2.4 11,-3.3 -2,-0.4 2,-0.4 -0.998 35.1-125.8-159.1 165.7 -5.1 -26.4 -20.6 80 85 A L E -F 89 0A 72 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.905 27.5-178.8-109.1 134.7 -2.2 -24.0 -20.5 81 86 A R E +F 88 0A 88 7,-2.8 7,-4.0 -2,-0.4 2,-0.3 -0.994 3.8 174.1-134.7 137.5 -2.6 -20.4 -21.6 82 87 A E E -F 87 0A 118 -2,-0.4 2,-0.3 5,-0.3 5,-0.2 -0.988 11.3-176.8-140.0 152.4 -0.0 -17.6 -21.8 83 88 A R E > -F 86 0A 146 3,-2.7 3,-1.5 -2,-0.3 2,-0.3 -0.831 69.6 -44.9-148.8 109.7 -0.0 -14.0 -23.1 84 89 A G T 3 S- 0 0 66 -2,-0.3 -1,-0.0 1,-0.3 0, 0.0 -0.582 127.3 -19.9 64.4-128.6 3.2 -12.0 -23.0 85 90 A A T 3 S+ 0 0 95 -2,-0.3 2,-0.4 -3,-0.1 -1,-0.3 0.715 116.1 101.2 -80.8 -23.1 4.5 -12.7 -19.5 86 91 A K E < - F 0 83A 50 -3,-1.5 -3,-2.7 -39,-0.0 2,-0.4 -0.510 50.9-177.9 -68.9 119.3 1.1 -13.8 -18.0 87 92 A H E +EF 48 82A 55 -39,-0.5 -39,-2.6 -2,-0.4 2,-0.3 -0.985 3.7 173.3-122.8 131.8 0.9 -17.7 -17.8 88 93 A E E -EF 47 81A 8 -7,-4.0 -7,-2.8 -2,-0.4 2,-0.4 -0.944 25.9-145.4-137.6 155.5 -2.0 -19.6 -16.5 89 94 A A E -EF 46 80A 0 -43,-2.5 -43,-3.3 -2,-0.3 2,-0.4 -0.983 23.8-155.0-118.6 134.7 -3.4 -23.2 -16.2 90 95 A W E -EF 45 79A 4 -11,-3.3 -11,-2.4 -2,-0.4 2,-0.5 -0.926 14.4-170.5-119.0 129.6 -7.1 -23.7 -16.6 91 96 A L E -EF 44 78A 0 -47,-2.5 -47,-3.1 -2,-0.4 2,-0.5 -0.989 14.8-154.4-114.4 118.6 -9.4 -26.4 -15.3 92 97 A L E +EF 43 77A 1 -15,-2.9 -16,-2.2 -2,-0.5 -15,-1.1 -0.807 23.4 174.2 -90.9 129.1 -12.9 -26.4 -16.9 93 98 A L E -E 42 0A 20 -51,-2.3 -51,-2.7 -2,-0.5 -18,-0.1 -0.932 35.0 -88.2-135.3 159.7 -15.5 -27.9 -14.6 94 99 A P E -E 41 0A 29 0, 0.0 2,-0.5 0, 0.0 -53,-0.2 -0.260 43.0-123.7 -60.5 150.9 -19.3 -28.4 -14.3 95 100 A F - 0 0 65 -55,-1.1 2,-0.8 -54,-0.1 -55,-0.2 -0.881 16.3-161.7-105.8 126.1 -21.4 -25.7 -12.7 96 101 A F > - 0 0 39 -2,-0.5 3,-2.0 1,-0.1 55,-0.2 -0.882 2.1-164.2-108.4 101.0 -23.6 -26.4 -9.7 97 102 A K T 3 S+ 0 0 130 -2,-0.8 -1,-0.1 1,-0.3 55,-0.1 0.709 85.9 62.6 -58.7 -24.2 -26.1 -23.6 -9.3 98 103 A R T 3 S- 0 0 128 53,-0.6 -1,-0.3 1,-0.2 2,-0.1 0.636 93.1-156.6 -76.5 -15.0 -26.9 -24.7 -5.7 99 104 A G < - 0 0 20 -3,-2.0 52,-2.4 52,-0.2 -1,-0.2 -0.430 38.6 -11.0 72.1-143.3 -23.4 -24.0 -4.6 100 105 A T B > -M 150 0B 17 50,-0.2 4,-1.2 -2,-0.1 50,-0.3 -0.281 53.0-118.9-101.7 164.9 -22.0 -25.7 -1.6 101 106 A L H > S+ 0 0 1 48,-2.7 4,-1.8 45,-0.9 46,-0.2 0.819 112.9 60.2 -66.5 -32.5 -23.3 -27.9 1.3 102 107 A W H > S+ 0 0 53 44,-1.2 4,-1.5 47,-0.3 -1,-0.2 0.916 103.0 47.2 -62.3 -44.5 -22.1 -25.2 3.7 103 108 A N H > S+ 0 0 72 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.810 109.4 55.2 -78.1 -20.7 -24.2 -22.4 2.3 104 109 A E H X S+ 0 0 57 -4,-1.2 4,-1.5 2,-0.2 -1,-0.2 0.891 109.2 47.4 -67.5 -39.6 -27.3 -24.7 2.3 105 110 A I H X S+ 0 0 7 -4,-1.8 4,-1.2 2,-0.2 -2,-0.2 0.719 112.9 48.4 -81.6 -12.8 -26.7 -25.3 6.0 106 111 A E H X S+ 0 0 81 -4,-1.5 4,-2.1 2,-0.2 -2,-0.2 0.852 105.0 59.2 -79.3 -43.0 -26.2 -21.6 6.7 107 112 A R H < S+ 0 0 92 -4,-2.2 4,-0.4 1,-0.2 -2,-0.2 0.881 113.8 38.4 -48.7 -43.2 -29.4 -20.8 4.7 108 113 A L H >X>S+ 0 0 25 -4,-1.5 5,-2.6 2,-0.2 3,-1.1 0.903 112.9 54.4 -74.8 -43.0 -31.3 -23.0 7.2 109 114 A K H 3<5S+ 0 0 51 -4,-1.2 -2,-0.2 1,-0.3 -1,-0.2 0.733 103.4 58.8 -68.1 -22.9 -29.4 -21.9 10.3 110 115 A D T 3<5S+ 0 0 131 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.694 109.1 42.8 -78.1 -21.3 -30.3 -18.3 9.5 111 116 A K T <45S- 0 0 96 -3,-1.1 -2,-0.2 -4,-0.4 -1,-0.2 0.463 124.6-104.1 -94.0 -4.4 -34.1 -19.2 9.6 112 117 A G T <5S+ 0 0 50 -4,-0.6 -3,-0.2 1,-0.3 2,-0.1 0.418 84.3 112.9 95.3 1.4 -33.5 -21.3 12.8 113 118 A N < - 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0 0 13 -2,-0.4 -3,-0.1 -3,-0.3 -19,-0.1 -0.476 12.8-127.8 -77.1 120.9 -40.6 -5.6 -76.2 495 207 B Q - 0 0 139 -2,-0.4 3,-0.3 -5,-0.2 -1,-0.1 -0.283 11.7-127.7 -62.0 147.9 -43.3 -6.2 -78.8 496 208 B S S S+ 0 0 39 1,-0.2 -29,-3.0 -30,-0.1 2,-0.3 0.710 100.8 34.8 -70.9 -25.4 -46.9 -5.0 -78.1 497 209 B H E S+U 466 0G 150 -31,-0.2 2,-0.3 -29,-0.0 -1,-0.2 -0.792 94.9 93.5-135.3 92.2 -48.4 -8.5 -78.8 498 210 B C E -U 465 0G 27 -33,-2.0 -33,-3.1 -2,-0.3 2,-0.5 -0.944 64.2-101.8-162.0 177.8 -46.3 -11.4 -77.8 499 211 B V E -U 464 0G 96 -2,-0.3 2,-0.5 -35,-0.2 -35,-0.2 -0.980 20.8-167.4-121.2 118.3 -45.3 -14.1 -75.3 500 212 B I E +U 463 0G 5 -37,-2.3 -37,-4.2 -2,-0.5 2,-0.2 -0.884 26.9 164.2 -94.1 131.9 -42.2 -13.8 -73.2 501 213 B D > - 0 0 14 -2,-0.5 3,-1.3 -39,-0.3 -39,-0.2 -0.595 51.9 -66.2-136.8-161.0 -41.5 -17.1 -71.5 502 214 B E T >> S+ 0 0 38 1,-0.3 3,-1.8 -2,-0.2 4,-0.5 0.597 107.5 84.9 -78.9 -9.4 -38.8 -19.1 -69.7 503 215 B R H 3> S+ 0 0 36 1,-0.3 4,-1.6 2,-0.2 -1,-0.3 0.618 70.8 81.5 -66.2 -12.4 -36.4 -19.3 -72.7 504 216 B T H <> S+ 0 0 2 -3,-1.3 4,-1.5 1,-0.2 -1,-0.3 0.885 90.7 51.3 -49.7 -40.8 -35.2 -15.9 -71.6 505 217 B D H <> S+ 0 0 0 -3,-1.8 4,-2.2 1,-0.2 -2,-0.2 0.840 101.8 60.2 -69.8 -32.8 -33.1 -17.9 -69.2 506 218 B V H X S+ 0 0 0 -4,-0.5 4,-2.3 2,-0.2 -1,-0.2 0.846 102.6 52.1 -62.0 -37.2 -31.7 -20.2 -72.0 507 219 B W H X S+ 0 0 2 -4,-1.6 4,-2.0 2,-0.2 -1,-0.2 0.953 110.1 48.3 -63.8 -47.0 -30.2 -17.1 -73.7 508 220 B S H X S+ 0 0 5 -4,-1.5 4,-1.9 1,-0.2 -2,-0.2 0.899 109.8 52.8 -61.4 -35.9 -28.5 -16.1 -70.4 509 221 B L H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.909 104.4 55.1 -69.3 -40.3 -27.3 -19.7 -70.1 510 222 B G H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.912 108.5 49.4 -53.1 -43.6 -25.8 -19.6 -73.6 511 223 B C H X S+ 0 0 0 -4,-2.0 4,-1.8 1,-0.2 -2,-0.2 0.828 109.2 51.1 -66.3 -36.2 -23.9 -16.4 -72.5 512 224 B V H X S+ 0 0 0 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.855 108.6 52.6 -65.1 -37.7 -22.6 -18.2 -69.4 513 225 B L H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.925 107.9 51.0 -63.6 -43.4 -21.5 -21.0 -71.6 514 226 B Y H X S+ 0 0 63 -4,-2.2 4,-2.8 1,-0.2 6,-0.4 0.913 107.4 53.1 -59.9 -43.8 -19.6 -18.6 -73.8 515 227 B A H X S+ 0 0 0 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.909 110.3 47.0 -60.3 -40.9 -17.9 -17.1 -70.7 516 228 B M H < S+ 0 0 2 -4,-2.0 -108,-0.5 1,-0.2 -1,-0.2 0.879 117.5 43.8 -67.6 -37.7 -16.7 -20.6 -69.6 517 229 B M H < S+ 0 0 0 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.783 128.7 24.8 -76.6 -30.2 -15.5 -21.4 -73.1 518 230 B F H < S- 0 0 63 -4,-2.8 -3,-0.2 2,-0.2 -2,-0.2 0.583 101.4-113.2-115.8 -10.1 -13.8 -18.0 -73.8 519 231 B G S < S+ 0 0 1 -4,-2.4 2,-0.3 -5,-0.3 -4,-0.2 0.489 92.1 50.0 87.5 3.4 -12.9 -16.5 -70.4 520 232 B E S S- 0 0 82 -6,-0.4 -2,-0.2 -5,-0.2 -3,-0.1 -0.936 91.8 -88.9-165.0 152.6 -15.3 -13.7 -70.8 521 233 B G > - 0 0 2 -2,-0.3 3,-1.1 1,-0.1 4,-0.4 -0.225 41.0-114.9 -59.4 151.9 -19.0 -12.9 -71.6 522 234 B P T 3 S+ 0 0 29 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.588 113.4 36.5 -72.7 -14.9 -19.8 -12.4 -75.3 523 235 B Y T 3> S+ 0 0 23 -38,-0.3 4,-2.1 2,-0.1 5,-0.2 0.270 88.1 100.2-115.6 10.1 -20.8 -8.7 -74.8 524 236 B D H <> S+ 0 0 21 -3,-1.1 4,-2.5 1,-0.2 5,-0.2 0.915 82.1 47.3 -65.1 -47.7 -18.3 -7.7 -72.1 525 237 B M H > S+ 0 0 49 -4,-0.4 4,-2.4 1,-0.2 6,-0.2 0.886 113.5 51.3 -61.8 -37.2 -15.7 -5.9 -74.4 526 238 B V H 4>S+ 0 0 37 2,-0.2 5,-1.4 1,-0.2 4,-0.2 0.885 110.9 47.1 -63.8 -43.7 -18.7 -4.0 -76.0 527 239 B F H ><5S+ 0 0 119 -4,-2.1 3,-1.2 1,-0.2 -2,-0.2 0.933 114.0 46.8 -66.3 -48.1 -20.0 -2.9 -72.6 528 240 B Q H 3<5S+ 0 0 145 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.876 107.6 56.4 -59.3 -43.7 -16.6 -1.8 -71.4 529 241 B K T 3<5S- 0 0 112 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.530 114.9-118.0 -66.8 -6.8 -15.9 0.1 -74.7 530 242 B G T < 5 + 0 0 65 -3,-1.2 -3,-0.2 -4,-0.2 -2,-0.1 0.443 69.6 137.1 84.1 -0.4 -19.1 2.1 -74.1 531 243 B D < - 0 0 101 -5,-1.4 2,-0.5 -6,-0.2 -1,-0.2 -0.185 64.4 -79.3 -76.3 171.4 -20.7 0.7 -77.2 532 244 B S > - 0 0 55 1,-0.2 4,-1.2 -3,-0.1 -1,-0.1 -0.611 32.8-175.2 -80.3 120.9 -24.3 -0.5 -77.5 533 245 B V H > S+ 0 0 6 -2,-0.5 4,-2.9 2,-0.2 5,-0.2 0.865 86.2 63.6 -74.9 -40.1 -25.1 -3.9 -76.2 534 246 B A H > S+ 0 0 31 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.857 109.2 39.3 -49.1 -42.8 -28.7 -3.6 -77.4 535 247 B L H > S+ 0 0 119 2,-0.2 4,-0.6 1,-0.2 -1,-0.2 0.837 114.0 53.1 -80.5 -33.8 -27.4 -3.4 -81.0 536 248 B A H >< S+ 0 0 29 -4,-1.2 3,-0.5 1,-0.2 -2,-0.2 0.852 107.6 52.6 -69.2 -35.9 -24.7 -6.0 -80.6 537 249 B V H 3< S+ 0 0 0 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.825 100.1 60.5 -69.7 -35.7 -27.3 -8.5 -79.3 538 250 B Q H 3< S+ 0 0 80 -4,-1.0 -1,-0.2 -5,-0.2 2,-0.2 0.685 102.7 65.1 -66.9 -19.6 -29.6 -8.0 -82.2 539 251 B N S << S- 0 0 111 -4,-0.6 2,-0.3 -3,-0.5 0, 0.0 -0.589 75.9-162.1-100.7 172.3 -26.7 -9.3 -84.4 540 252 B Q 0 0 132 -2,-0.2 19,-0.1 1,-0.1 -3,-0.0 -0.983 360.0 360.0-159.8 147.3 -25.3 -12.8 -84.2 541 253 B L 0 0 186 -2,-0.3 14,-0.1 17,-0.2 -1,-0.1 0.126 360.0 360.0-109.5 360.0 -22.5 -15.4 -84.9 542 ! 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 0.0 543 258 B S > 0 0 80 0, 0.0 3,-2.5 0, 0.0 2,-1.1 0.000 360.0 360.0 360.0 67.5 -12.4 -23.1 -81.6 544 259 B P T 3 + 0 0 140 0, 0.0 4,-0.1 0, 0.0 3,-0.0 0.441 360.0 80.7 -46.5 -0.0 -10.6 -26.5 -81.8 545 260 B R T 3 S+ 0 0 127 -2,-1.1 2,-0.3 -28,-0.1 -135,-0.2 0.651 96.2 48.7 -75.3 -14.1 -10.1 -26.4 -78.0 546 261 B H S < S- 0 0 22 -3,-2.5 -137,-0.0 -137,-0.1 -1,-0.0 -0.937 88.7-110.4-125.9 151.5 -13.8 -27.6 -77.7 547 262 B S > - 0 0 42 -2,-0.3 4,-1.4 1,-0.1 3,-0.2 -0.198 32.2-112.1 -64.5 165.9 -15.8 -30.4 -79.3 548 263 B S H > S+ 0 0 87 1,-0.2 4,-3.4 2,-0.2 5,-0.2 0.822 114.0 68.9 -69.9 -33.6 -18.5 -29.6 -81.8 549 264 B A H > S+ 0 0 30 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.921 104.9 41.0 -45.7 -52.5 -21.1 -30.9 -79.3 550 265 B L H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.876 112.4 54.7 -66.5 -40.2 -20.3 -27.9 -77.1 551 266 B W H X S+ 0 0 121 -4,-1.4 4,-2.5 1,-0.2 -2,-0.2 0.934 110.0 46.8 -59.4 -45.1 -20.2 -25.6 -80.1 552 267 B Q H X S+ 0 0 133 -4,-3.4 4,-2.2 2,-0.2 -1,-0.2 0.882 110.4 52.0 -61.4 -42.7 -23.7 -26.7 -81.2 553 268 B L H X S+ 0 0 7 -4,-1.9 4,-2.2 -5,-0.2 5,-0.2 0.942 111.2 48.8 -59.0 -46.9 -25.1 -26.3 -77.7 554 269 B L H X S+ 0 0 8 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.936 112.1 46.9 -59.6 -50.8 -23.7 -22.8 -77.5 555 270 B N H < S+ 0 0 46 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.839 112.3 50.7 -61.1 -33.9 -25.1 -21.8 -80.9 556 271 B S H >< S+ 0 0 34 -4,-2.2 3,-0.8 1,-0.2 -1,-0.2 0.895 110.6 46.7 -73.9 -40.8 -28.5 -23.2 -80.2 557 272 B M H 3< S+ 0 0 0 -4,-2.2 2,-0.9 1,-0.3 -2,-0.2 0.916 111.1 54.7 -66.8 -43.1 -29.0 -21.5 -76.8 558 273 B M T 3< S+ 0 0 28 -4,-2.2 2,-0.4 -5,-0.2 -1,-0.3 -0.375 73.0 133.7 -90.0 51.5 -27.8 -18.2 -78.3 559 274 B T < - 0 0 30 -2,-0.9 6,-0.1 -3,-0.8 -49,-0.1 -0.872 51.3-144.6 -92.3 138.9 -30.3 -18.1 -81.2 560 275 B V S S+ 0 0 27 -2,-0.4 -70,-0.2 -71,-0.1 -1,-0.1 0.901 82.7 73.0 -77.2 -43.0 -31.8 -14.6 -81.3 561 276 B D S > S- 0 0 83 1,-0.2 3,-1.8 -72,-0.1 4,-0.3 -0.642 72.7-154.7 -71.2 113.4 -35.3 -15.5 -82.3 562 277 B P G > S+ 0 0 37 0, 0.0 3,-0.7 0, 0.0 -1,-0.2 0.698 88.3 69.1 -69.0 -16.6 -36.8 -17.1 -79.2 563 278 B H G 3 S+ 0 0 137 1,-0.2 -2,-0.0 -3,-0.0 -3,-0.0 0.724 106.3 40.7 -71.9 -20.0 -39.3 -19.2 -81.2 564 279 B Q G < S+ 0 0 128 -3,-1.8 -1,-0.2 2,-0.1 -4,-0.1 0.308 92.9 104.2-110.1 5.2 -36.3 -21.2 -82.5 565 280 B R S < S- 0 0 3 -3,-0.7 -8,-0.1 -4,-0.3 -62,-0.1 -0.677 75.4-112.5 -86.5 140.9 -34.5 -21.4 -79.2 566 281 B P - 0 0 17 0, 0.0 2,-0.2 0, 0.0 -60,-0.1 -0.300 22.9-123.9 -72.8 157.4 -34.6 -24.7 -77.3 567 282 B H > - 0 0 74 1,-0.1 4,-1.7 -61,-0.0 3,-0.3 -0.499 31.4-101.9 -87.9 169.5 -36.4 -25.3 -74.0 568 283 B I H > S+ 0 0 3 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.859 116.5 60.4 -64.0 -42.4 -34.7 -26.7 -70.9 569 284 B P H > S+ 0 0 91 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.918 107.5 46.6 -50.8 -46.1 -36.1 -30.3 -71.2 570 285 B L H > S+ 0 0 90 -3,-0.3 4,-1.8 2,-0.2 -2,-0.2 0.924 112.0 50.4 -63.9 -45.9 -34.4 -30.7 -74.7 571 286 B L H X S+ 0 0 0 -4,-1.7 4,-3.0 1,-0.2 5,-0.3 0.937 107.6 53.2 -58.0 -48.3 -31.1 -29.3 -73.4 572 287 B L H X S+ 0 0 8 -4,-3.0 4,-2.4 1,-0.2 -1,-0.2 0.888 106.1 53.8 -54.4 -40.8 -31.1 -31.7 -70.5 573 288 B S H X S+ 0 0 63 -4,-1.9 4,-1.7 -5,-0.2 -1,-0.2 0.918 112.7 44.5 -54.9 -45.9 -31.6 -34.6 -72.9 574 289 B Q H X S+ 0 0 76 -4,-1.8 4,-1.1 1,-0.2 -2,-0.2 0.920 113.5 48.2 -68.5 -49.8 -28.5 -33.5 -74.8 575 290 B L H X S+ 0 0 0 -4,-3.0 4,-1.7 1,-0.2 -1,-0.2 0.841 108.5 55.4 -57.0 -38.2 -26.4 -32.8 -71.8 576 291 B E H < S+ 0 0 104 -4,-2.4 -2,-0.2 -5,-0.3 -1,-0.2 0.900 106.1 51.2 -66.2 -40.9 -27.3 -36.2 -70.3 577 292 B A H < S+ 0 0 77 -4,-1.7 5,-0.3 1,-0.2 -1,-0.2 0.769 114.9 45.3 -57.5 -32.4 -26.1 -38.0 -73.5 578 293 B L H < S+ 0 0 50 -4,-1.1 -2,-0.2 1,-0.2 -1,-0.2 0.706 102.2 74.5 -87.6 -25.8 -22.8 -36.0 -73.2 579 294 B Q S < S+ 0 0 8 -4,-1.7 -1,-0.2 1,-0.5 3,-0.0 -0.966 111.5 7.1-147.3 123.3 -22.1 -36.5 -69.5 580 295 B P S S- 0 0 91 0, 0.0 -1,-0.5 0, 0.0 -169,-0.0 0.694 98.8-159.9 -69.6 141.9 -21.1 -39.1 -68.4 581 296 B P 0 0 93 0, 0.0 -3,-0.1 0, 0.0 -2,-0.0 -0.101 360.0 360.0 -81.2-175.5 -20.7 -40.4 -72.0 582 297 B A 0 0 154 -5,-0.3 -4,-0.1 -3,-0.0 -3,-0.0 0.354 360.0 360.0-110.1 360.0 -20.5 -44.1 -73.1