==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER COMPLEX (KINASE/INHIBITOR) 22-JUN-98 1BI8 . COMPND 2 MOLECULE: CYCLIN-DEPENDENT KINASE 6; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.A.RUSSO,L.TONG,J.O.LEE,P.D.JEFFREY,N.P.PAVLETICH . 838 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 37675.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 552 65.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 80 9.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 12 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 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 . 62 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 98 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 254 30.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 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 2 2 0 10 4 4 2 2 0 0 0 2 0 0 2 0 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 0 2 6 0 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 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 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 11 A Q 0 0 188 0, 0.0 3,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-136.9 35.0 -22.5 32.1 2 12 A Q + 0 0 72 21,-0.1 22,-2.3 20,-0.0 2,-0.3 0.252 360.0 46.3-102.5 14.8 35.1 -19.0 33.8 3 13 A Y S S- 0 0 22 20,-0.2 2,-0.4 19,-0.2 19,-0.2 -0.956 70.0-146.5-147.1 152.0 32.1 -17.6 31.8 4 14 A E E -A 21 0A 31 17,-1.2 17,-0.9 -2,-0.3 330,-0.0 -0.883 14.4-137.6-133.2 105.6 28.7 -19.1 31.1 5 15 A C E +A 20 0A 25 -2,-0.4 15,-0.3 15,-0.2 3,-0.1 -0.236 25.4 171.0 -53.1 142.9 26.8 -18.3 27.8 6 16 A V E - 0 0 1 13,-2.9 299,-0.3 1,-0.4 2,-0.3 0.531 58.8 -10.0-130.9 -16.8 23.2 -17.6 28.3 7 17 A A E -A 19 0A 0 12,-1.5 12,-2.4 295,-0.1 2,-0.7 -0.932 57.7-106.5-178.8 152.9 22.2 -16.4 24.9 8 18 A E E -A 18 0A 31 -2,-0.3 10,-0.3 10,-0.2 271,-0.1 -0.797 27.7-162.8 -84.6 115.9 23.0 -15.3 21.3 9 19 A I E - 0 0 9 8,-3.1 271,-0.3 -2,-0.7 2,-0.3 0.923 62.4 -68.7 -62.5 -42.8 22.3 -11.7 21.6 10 20 A G E -A 17 0A 3 7,-2.0 7,-4.3 -3,-0.1 -1,-0.4 -0.959 45.3 -97.0 173.7-175.6 22.2 -11.8 17.9 11 21 A E E +A 16 0A 135 5,-0.3 121,-0.4 -2,-0.3 5,-0.3 -0.995 52.9 112.9-131.5 132.3 24.2 -12.4 14.6 12 22 A G S S- 0 0 31 3,-3.2 119,-0.3 2,-1.2 118,-0.1 -0.646 72.2 -15.2-162.1-144.8 25.7 -9.7 12.3 13 23 A A S S+ 0 0 81 117,-3.7 2,-0.5 -2,-0.2 117,-0.2 0.816 132.3 43.5 -47.9 -43.6 28.7 -8.1 10.8 14 24 A Y S S- 0 0 109 115,-0.8 -2,-1.2 1,-0.2 21,-0.1 -0.963 117.5 -96.7-105.8 129.3 30.8 -9.7 13.5 15 25 A G S S- 0 0 39 -2,-0.5 -3,-3.2 19,-0.2 2,-0.4 0.719 75.1 -35.0 -8.1-127.1 29.6 -13.2 13.8 16 26 A K E -A 11 0A 49 -5,-0.3 18,-0.8 18,-0.1 2,-0.4 -0.860 60.7-147.0-107.8 148.3 27.1 -14.0 16.5 17 27 A V E -AB 10 33A 0 -7,-4.3 -8,-3.1 -2,-0.4 -7,-2.0 -0.966 15.7-161.3-119.8 141.5 27.3 -12.1 19.7 18 28 A F E -AB 8 32A 14 14,-1.9 14,-2.6 -2,-0.4 2,-0.4 -0.922 18.8-133.5-120.7 159.9 26.4 -13.6 23.1 19 29 A K E +AB 7 31A 1 -12,-2.4 -13,-2.9 -2,-0.3 -12,-1.5 -0.834 37.3 167.3-108.0 135.0 25.5 -12.7 26.6 20 30 A A E -AB 5 30A 0 10,-2.3 10,-2.7 -2,-0.4 2,-0.4 -0.840 35.0-103.9-142.7 173.6 27.3 -14.6 29.3 21 31 A R E -AB 4 29A 2 -17,-0.9 2,-1.6 -2,-0.3 -17,-1.2 -0.899 17.1-142.9-105.1 132.1 28.0 -14.6 33.0 22 32 A D >> + 0 0 0 6,-3.0 4,-2.9 5,-1.3 3,-1.3 -0.433 44.7 147.2 -93.2 64.4 31.3 -13.4 34.4 23 33 A L T 34 + 0 0 61 -2,-1.6 -1,-0.2 1,-0.3 -20,-0.2 0.826 48.4 95.8 -66.7 -23.5 31.3 -16.0 37.2 24 34 A K T 34 S- 0 0 98 -22,-2.3 -1,-0.3 -3,-0.4 -21,-0.1 0.741 120.6 -4.1 -31.3 -40.4 35.2 -16.0 36.6 25 35 A N T <4 S- 0 0 94 -3,-1.3 -1,-0.3 -23,-0.2 -2,-0.2 0.529 133.3 -73.2-122.0 -46.0 34.9 -13.5 39.5 26 36 A G S < S- 0 0 38 -4,-2.9 2,-0.8 2,-0.1 -3,-0.3 -0.298 74.9 -14.4 144.4 130.4 31.1 -13.4 39.8 27 37 A G + 0 0 26 -2,-0.1 -5,-1.3 1,-0.1 -4,-0.1 -0.613 69.2 120.2 75.6-107.9 27.8 -12.2 38.4 28 38 A R - 0 0 98 -2,-0.8 -6,-3.0 -7,-0.2 -2,-0.1 0.637 61.4-118.2 1.7 122.6 28.1 -9.5 35.8 29 39 A F E -B 21 0A 13 -8,-0.2 36,-0.4 36,-0.1 2,-0.3 -0.427 37.5-174.1 -68.0 153.3 26.7 -10.2 32.3 30 40 A V E -B 20 0A 1 -10,-2.7 -10,-2.3 34,-0.1 2,-0.5 -0.936 20.6-118.9-147.8 162.8 29.3 -10.0 29.5 31 41 A A E -BC 19 63A 0 32,-2.4 32,-3.1 -2,-0.3 2,-0.5 -0.928 16.7-156.7-117.6 134.1 29.5 -10.2 25.8 32 42 A L E -BC 18 62A 6 -14,-2.6 -14,-1.9 -2,-0.5 2,-0.6 -0.932 8.2-176.1-110.5 120.4 31.3 -12.8 23.7 33 43 A K E -BC 17 61A 23 28,-1.8 28,-2.6 -2,-0.5 2,-0.3 -0.984 23.0-141.5-116.5 105.9 32.3 -12.1 20.1 34 44 A R E - C 0 60A 125 -18,-0.8 2,-0.4 -2,-0.6 26,-0.2 -0.576 23.4-170.9 -68.0 129.4 33.9 -15.3 18.6 35 45 A V E - C 0 59A 58 24,-2.6 24,-3.1 -2,-0.3 2,-0.3 -0.921 17.8-170.7-140.1 123.6 36.9 -14.6 16.4 36 46 A R E + C 0 58A 167 -2,-0.4 22,-0.2 22,-0.2 24,-0.0 -0.784 7.9 173.3-102.6 141.6 39.0 -16.7 14.0 37 47 A V 0 0 83 20,-2.4 -1,-0.1 1,-0.5 21,-0.1 0.730 360.0 360.0-114.8 -45.4 42.3 -15.3 12.6 38 48 A Q 0 0 163 19,-0.5 -1,-0.5 0, 0.0 0, 0.0 -0.923 360.0 360.0-169.3 360.0 44.1 -18.0 10.6 39 ! 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 40 72 A E 0 0 157 0, 0.0 6,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 138.2 41.5 2.7 28.8 41 73 A H > - 0 0 30 3,-0.2 3,-1.8 1,-0.1 56,-0.0 -0.896 360.0-150.2-144.9 125.3 38.3 4.6 28.6 42 74 A P T 3 S+ 0 0 35 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.803 101.4 51.6 -53.6 -31.4 35.2 5.0 30.8 43 75 A N T 3 S+ 0 0 0 82,-0.1 83,-2.4 50,-0.1 2,-0.4 0.018 100.4 71.7 -98.9 28.8 33.0 5.6 27.9 44 76 A V B < S-e 126 0B 25 -3,-1.8 -3,-0.2 81,-0.3 2,-0.2 -0.997 90.0-105.2-145.6 136.7 34.0 2.6 25.9 45 77 A V - 0 0 19 81,-1.7 2,-0.3 -2,-0.4 -2,-0.1 -0.476 42.7-129.5 -58.0 129.0 33.2 -0.9 26.4 46 78 A R - 0 0 98 -2,-0.2 18,-2.6 -4,-0.1 2,-0.5 -0.663 8.5-124.9 -86.4 142.6 36.4 -2.6 27.8 47 79 A L E -D 63 0A 71 -2,-0.3 16,-0.2 16,-0.2 3,-0.1 -0.774 31.0-179.1 -84.6 131.4 37.8 -5.7 26.3 48 80 A F E + 0 0 52 14,-3.9 2,-0.3 -2,-0.5 15,-0.2 0.765 52.5 0.1 -99.1 -38.1 38.0 -8.1 29.3 49 81 A D E -D 62 0A 42 13,-1.7 13,-2.3 2,-0.0 -1,-0.3 -0.987 41.4-148.4-153.8 164.6 39.5 -11.3 27.9 50 82 A V E -D 61 0A 73 -2,-0.3 11,-0.2 11,-0.2 2,-0.2 -0.713 24.4-167.8-136.4 76.4 40.8 -13.2 25.0 51 83 A C E -D 60 0A 16 9,-2.2 9,-1.0 -2,-0.3 2,-0.7 -0.485 17.3-137.3 -69.1 135.5 40.0 -16.9 25.4 52 84 A T E -D 59 0A 79 7,-0.2 7,-0.3 -2,-0.2 3,-0.1 -0.866 20.2-176.7 -94.0 112.3 41.8 -19.1 22.9 53 85 A V E S+ 0 0 70 5,-1.5 2,-0.3 -2,-0.7 6,-0.2 0.526 74.2 12.5 -87.5 -8.1 39.2 -21.7 21.7 54 86 A S E D 58 0A 46 4,-0.9 4,-1.2 0, 0.0 -1,-0.3 -0.900 360.0 360.0-165.0 133.7 41.7 -23.6 19.6 55 87 A R 0 0 227 -2,-0.3 -3,-0.0 2,-0.1 0, 0.0 -0.828 360.0 360.0 -82.5 360.0 45.5 -23.4 19.5 56 ! 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 57 92 A T 0 0 32 0, 0.0 -20,-2.4 0, 0.0 -19,-0.5 0.000 360.0 360.0 360.0 135.7 43.5 -19.6 15.9 58 93 A K E -CD 36 54A 90 -4,-1.2 -5,-1.5 -22,-0.2 -4,-0.9 -0.923 360.0-178.3-110.0 132.9 40.1 -19.1 17.4 59 94 A L E -CD 35 52A 38 -24,-3.1 -24,-2.6 -2,-0.4 2,-0.4 -0.760 17.1-153.3-124.1 167.1 39.7 -16.4 20.0 60 95 A T E -CD 34 51A 5 -9,-1.0 -9,-2.2 -2,-0.3 2,-0.4 -0.938 14.3-150.7-145.2 113.5 36.7 -15.4 22.0 61 96 A L E -CD 33 50A 33 -28,-2.6 -28,-1.8 -2,-0.4 2,-0.6 -0.799 4.3-154.1 -91.7 136.4 36.7 -11.8 23.1 62 97 A V E -CD 32 49A 0 -13,-2.3 -14,-3.9 -2,-0.4 -13,-1.7 -0.975 20.5-171.4-113.3 120.0 34.9 -11.1 26.3 63 98 A F E -CD 31 47A 34 -32,-3.1 -32,-2.4 -2,-0.6 -16,-0.2 -0.831 30.0 -98.6-115.7 160.6 33.6 -7.6 26.6 64 99 A E - 0 0 38 -18,-2.6 2,-0.3 -2,-0.3 -34,-0.1 -0.223 47.8-169.0 -64.7 151.9 32.1 -5.3 29.0 65 100 A H - 0 0 34 -36,-0.4 2,-0.4 -35,-0.1 -36,-0.1 -0.994 14.7-157.3-150.8 150.9 28.4 -5.2 28.6 66 101 A V - 0 0 17 -2,-0.3 2,-1.4 59,-0.1 52,-0.1 -0.977 21.3-133.2-133.2 138.7 25.4 -3.2 29.7 67 102 A D S S+ 0 0 7 -2,-0.4 247,-1.9 50,-0.1 2,-0.2 -0.160 85.0 53.5 -86.6 50.9 21.7 -3.9 30.0 68 103 A Q - 0 0 4 -2,-1.4 50,-2.1 245,-0.1 2,-0.3 -0.845 59.7-162.1-175.4 132.0 20.5 -0.7 28.4 69 104 A D B > -F 117 0B 13 48,-0.3 4,-2.0 -2,-0.2 48,-0.3 -0.815 42.3 -97.2-117.1 170.1 21.1 1.2 25.3 70 105 A L H > S+ 0 0 2 46,-3.8 4,-2.1 43,-0.7 5,-0.2 0.792 120.2 54.8 -53.8 -30.6 20.4 4.8 24.4 71 106 A T H > S+ 0 0 42 42,-0.7 4,-3.8 45,-0.2 5,-0.3 0.968 105.1 45.9 -70.2 -57.0 17.2 3.7 22.7 72 107 A T H 4 S+ 0 0 7 1,-0.2 4,-0.2 2,-0.2 -1,-0.2 0.858 114.7 53.0 -57.1 -32.8 15.4 1.8 25.5 73 108 A Y H >X S+ 0 0 38 -4,-2.0 4,-2.0 2,-0.2 3,-1.0 0.959 114.0 38.2 -66.9 -53.3 16.3 4.7 27.8 74 109 A L H 3< S+ 0 0 8 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.929 113.7 56.0 -63.3 -43.2 14.9 7.4 25.5 75 110 A D T 3< S+ 0 0 101 -4,-3.8 -1,-0.3 1,-0.2 -2,-0.2 0.645 114.3 44.1 -65.6 -4.3 12.0 5.2 24.7 76 111 A K T <4 S+ 0 0 77 -3,-1.0 -2,-0.2 -5,-0.3 -1,-0.2 0.780 84.7 109.5-109.8 -36.5 11.5 5.1 28.5 77 112 A V S < S- 0 0 20 -4,-2.0 5,-0.1 1,-0.1 -3,-0.0 -0.065 77.0 -84.4 -50.8 148.2 11.9 8.6 29.8 78 113 A P > - 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0 0 40 -2,-2.6 -79,-0.1 -3,-0.2 -3,-0.0 -0.906 53.2-146.5-109.9 117.7 74.8 -18.2 8.4 671 283 C F S S+ 0 0 10 -2,-0.7 -94,-0.3 1,-0.1 -1,-0.2 0.809 83.6 73.5 -43.5 -49.1 74.2 -16.6 5.0 672 284 C N S S- 0 0 32 3,-0.2 -1,-0.1 1,-0.2 -41,-0.1 -0.638 70.8-158.0 -79.2 111.0 71.0 -18.3 4.4 673 285 C P S > S+ 0 0 28 0, 0.0 3,-1.0 0, 0.0 -1,-0.2 0.709 90.1 53.7 -56.5 -31.8 68.4 -16.7 6.6 674 286 C A T 3 S+ 0 0 89 1,-0.3 2,-0.2 -3,-0.0 -2,-0.1 0.945 112.1 47.7 -71.2 -39.2 65.9 -19.6 6.6 675 287 C K T 3 S+ 0 0 132 -45,-0.1 2,-0.4 -3,-0.1 -1,-0.3 0.028 93.4 107.6 -88.5 34.3 68.8 -21.7 7.7 676 288 C R S < S- 0 0 14 -3,-1.0 -8,-0.2 -2,-0.2 -9,-0.1 -0.936 77.1-101.9-115.6 135.3 69.8 -19.2 10.4 677 289 C I - 0 0 28 -10,-2.6 2,-0.2 -2,-0.4 -87,-0.1 0.010 34.5-122.3 -51.7 151.6 69.3 -19.8 14.1 678 290 C S > - 0 0 49 1,-0.1 4,-3.4 -88,-0.0 5,-0.2 -0.603 13.4-124.3 -91.9 159.7 66.4 -18.1 15.9 679 291 C A H > S+ 0 0 2 2,-0.2 4,-2.8 -2,-0.2 5,-0.3 0.996 115.5 52.1 -63.1 -57.3 66.8 -15.8 18.9 680 292 C Y H > S+ 0 0 155 1,-0.3 4,-0.7 2,-0.2 -1,-0.2 0.876 116.7 40.6 -41.0 -50.4 64.4 -18.0 20.8 681 293 C S H >> S+ 0 0 49 2,-0.2 3,-1.5 1,-0.2 4,-0.6 0.921 109.0 56.2 -67.9 -49.1 66.5 -21.0 19.9 682 294 C A H >< S+ 0 0 0 -4,-3.4 3,-1.3 1,-0.3 5,-0.3 0.880 103.4 59.5 -51.1 -38.9 69.9 -19.4 20.3 683 295 C L H 3< S+ 0 0 25 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.783 105.0 47.4 -59.5 -35.8 68.8 -18.6 23.8 684 296 C S H << S+ 0 0 92 -3,-1.5 -1,-0.3 -4,-0.7 -2,-0.2 0.453 88.4 125.7 -88.8 0.7 68.3 -22.3 24.5 685 297 C H S X< S- 0 0 6 -3,-1.3 3,-2.1 -4,-0.6 -3,-0.1 -0.159 75.5-112.4 -61.5 147.8 71.7 -23.1 23.0 686 298 C P G > S+ 0 0 53 0, 0.0 3,-0.5 0, 0.0 -1,-0.1 0.411 108.6 80.2 -62.0 3.0 74.2 -25.1 25.0 687 299 C Y G 3 S+ 0 0 2 1,-0.3 2,-0.8 -5,-0.3 -26,-0.1 0.839 97.0 47.0 -76.5 -29.2 76.5 -22.1 25.3 688 300 C F G < 0 0 39 -3,-2.1 -1,-0.3 -6,-0.2 -176,-0.0 -0.648 360.0 360.0-106.6 65.5 74.1 -21.1 28.1 689 301 C Q < 0 0 194 -2,-0.8 -4,-0.0 -3,-0.5 -2,-0.0 -0.221 360.0 360.0 -89.4 360.0 74.0 -24.5 29.8 690 !* 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 0.0 691 6 D V > 0 0 92 0, 0.0 4,-2.0 0, 0.0 34,-0.4 0.000 360.0 360.0 360.0 129.2 76.0 27.9 20.4 692 7 D R H >> + 0 0 181 2,-0.2 3,-1.8 1,-0.2 4,-1.8 0.956 360.0 33.8 -48.8 -89.4 77.3 25.9 17.5 693 8 D A H 3> S+ 0 0 16 1,-0.3 4,-2.8 2,-0.3 5,-0.4 0.731 112.5 65.9 -45.0 -27.6 80.6 24.1 18.6 694 9 D G H 3> S+ 0 0 1 29,-0.3 4,-2.2 1,-0.2 30,-0.3 0.973 109.4 37.9 -59.2 -47.8 78.9 23.9 22.0 695 10 D D H S+ 0 0 0 -4,-1.3 5,-2.4 -5,-0.3 4,-0.4 0.963 112.8 45.5 -59.8 -55.6 80.0 14.1 20.4 701 16 D A H ><5S+ 0 0 0 -4,-2.3 3,-3.0 1,-0.2 34,-1.2 0.968 112.1 51.8 -49.1 -60.7 80.7 13.7 24.1 702 17 D A H 3<5S+ 0 0 8 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.864 110.9 47.5 -46.5 -47.0 77.1 12.6 24.7 703 18 D R T 3<5S- 0 0 74 -4,-2.7 -1,-0.3 -271,-0.3 -2,-0.2 0.439 111.7-121.6 -76.9 -4.8 77.4 9.9 22.0 704 19 D G T < 5 + 0 0 9 -3,-3.0 2,-1.3 -4,-0.4 -3,-0.2 0.721 55.8 157.9 73.9 18.1 80.7 8.8 23.4 705 20 D D >< + 0 0 22 -5,-2.4 4,-1.9 -6,-0.2 -1,-0.2 -0.656 15.8 179.9 -79.6 102.0 82.4 9.5 20.1 706 21 D V H > S+ 0 0 10 -2,-1.3 4,-3.2 2,-0.2 5,-0.3 0.982 74.5 57.4 -64.7 -54.5 86.0 9.9 21.3 707 22 D Q H > S+ 0 0 105 1,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.864 109.6 43.7 -40.9 -59.1 87.4 10.6 17.9 708 23 D E H > S+ 0 0 45 2,-0.2 4,-3.3 1,-0.2 5,-0.5 0.934 112.1 53.0 -57.3 -49.9 85.2 13.6 17.2 709 24 D V H X S+ 0 0 0 -4,-1.9 4,-1.5 1,-0.3 -2,-0.2 0.951 113.0 44.5 -52.6 -44.4 85.7 14.9 20.7 710 25 D R H X S+ 0 0 102 -4,-3.2 4,-2.5 2,-0.2 5,-0.4 0.845 117.6 46.5 -69.9 -30.5 89.4 14.7 20.1 711 26 D R H < S+ 0 0 78 -4,-2.4 6,-0.6 -5,-0.3 -2,-0.2 0.994 111.8 46.4 -72.8 -63.6 89.0 16.2 16.6 712 27 D L H < S+ 0 0 0 -4,-3.3 6,-2.3 1,-0.2 -1,-0.2 0.727 118.0 48.3 -49.8 -27.0 86.7 19.1 17.5 713 28 D L H < S+ 0 0 10 -4,-1.5 4,-0.4 -5,-0.5 3,-0.3 0.952 129.1 14.8 -78.4 -55.2 89.1 19.8 20.4 714 29 D H S < S+ 0 0 87 -4,-2.5 2,-3.3 -5,-0.2 3,-0.5 0.948 130.8 36.6 -82.6 -84.5 92.4 19.6 18.4 715 30 D R S S+ 0 0 190 -5,-0.4 -1,-0.2 1,-0.3 -3,-0.1 -0.054 134.8 29.4 -66.6 46.7 92.0 19.8 14.7 716 31 D E S S- 0 0 71 -2,-3.3 -1,-0.3 -3,-0.3 -4,-0.2 0.247 98.1-135.4-170.8 -39.1 89.1 22.3 15.2 717 32 D L + 0 0 148 -6,-0.6 2,-0.3 -3,-0.5 -4,-0.2 0.912 31.5 175.0 69.3 52.1 90.0 24.0 18.5 718 33 D V - 0 0 14 -6,-2.3 -1,-0.2 -25,-0.1 -2,-0.1 -0.684 37.3-115.2 -89.3 138.8 86.7 24.1 20.4 719 34 D H > - 0 0 119 -2,-0.3 3,-3.8 1,-0.2 30,-0.1 -0.665 21.8-134.6 -72.5 119.3 86.9 25.5 23.9 720 35 D P T 3 S+ 0 0 7 0, 0.0 10,-0.8 0, 0.0 11,-0.3 0.814 105.0 53.9 -41.5 -40.6 86.1 22.5 26.2 721 36 D D T 3 S+ 0 0 35 8,-0.1 -2,-0.0 9,-0.1 -27,-0.0 0.554 75.8 136.4 -78.4 -4.1 83.8 24.8 28.2 722 37 D A < - 0 0 21 -3,-3.8 8,-0.3 1,-0.1 2,-0.1 -0.147 52.7-130.7 -48.9 117.7 81.8 25.9 25.2 723 38 D L - 0 0 73 6,-0.1 -29,-0.3 4,-0.1 -28,-0.3 -0.443 12.4-134.0 -74.6 148.9 78.2 25.9 26.1 724 39 D N > - 0 0 3 4,-2.5 3,-3.3 -30,-0.3 -32,-0.1 -0.291 43.9 -82.4 -89.1-178.9 75.6 24.2 24.0 725 40 D R T 3 S+ 0 0 114 -34,-0.4 -295,-0.1 1,-0.3 -1,-0.1 0.495 136.5 53.1 -65.0 -0.9 72.3 25.8 23.1 726 41 D F T 3 S- 0 0 60 2,-0.2 -1,-0.3 -297,-0.2 3,-0.1 0.263 116.8-117.7-111.0 3.5 71.1 24.6 26.4 727 42 D G S < S+ 0 0 33 -3,-3.3 2,-0.3 1,-0.3 -2,-0.1 0.680 72.9 125.8 72.0 16.8 74.1 26.2 28.2 728 43 D K - 0 0 20 -299,-0.3 -4,-2.5 -6,-0.1 -1,-0.3 -0.768 56.6-130.4-103.3 152.5 75.6 23.1 29.5 729 44 D T > - 0 0 8 -2,-0.3 4,-0.9 -6,-0.2 3,-0.3 -0.559 26.3-108.3 -90.4 169.7 79.2 22.2 28.7 730 45 D A H >> S+ 0 0 1 -10,-0.8 4,-2.2 -8,-0.3 3,-1.0 0.929 116.1 59.9 -66.4 -46.6 80.2 18.8 27.3 731 46 D L H 34 S+ 0 0 4 -11,-0.3 -1,-0.2 1,-0.3 -10,-0.1 0.837 106.9 53.9 -50.3 -29.7 81.9 17.4 30.4 732 47 D Q H 34 S+ 0 0 8 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.2 0.826 119.4 27.3 -71.5 -40.8 78.5 18.0 31.9 733 48 D V H << S+ 0 0 2 -3,-1.0 -2,-0.2 -4,-0.9 -1,-0.2 0.360 92.6 129.6-104.8 0.6 76.5 16.0 29.3 734 49 D M S < S- 0 0 0 -4,-2.2 2,-1.5 1,-0.2 -32,-0.3 0.033 78.6 -86.4 -56.7 164.0 79.1 13.5 28.3 735 50 D M > - 0 0 12 -34,-1.2 3,-3.4 1,-0.2 6,-0.2 -0.612 45.3-152.8 -73.2 93.7 78.6 9.8 28.1 736 51 D F T 3 S+ 0 0 0 -2,-1.5 38,-0.2 1,-0.3 -1,-0.2 0.681 89.9 57.4 -46.6 -21.5 79.6 9.3 31.8 737 52 D G T 3 S+ 0 0 0 -247,-1.9 2,-1.3 1,-0.2 -1,-0.3 0.496 84.8 88.8 -88.9 -4.5 80.8 5.8 31.2 738 53 D S X> + 0 0 3 -3,-3.4 3,-2.0 1,-0.2 4,-1.9 -0.582 51.4 173.5 -95.5 75.1 83.2 7.1 28.6 739 54 D T H 3> S+ 0 0 27 -2,-1.3 4,-3.6 1,-0.3 -1,-0.2 0.858 76.1 62.0 -45.9 -42.8 86.2 7.8 30.9 740 55 D A H 3> S+ 0 0 30 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.777 105.3 45.8 -56.7 -35.0 88.3 8.5 27.8 741 56 D I H <> S+ 0 0 0 -3,-2.0 4,-2.6 -6,-0.2 -1,-0.2 0.878 112.0 50.7 -74.7 -42.5 86.0 11.4 26.9 742 57 D A H X S+ 0 0 0 -4,-1.9 4,-2.6 -7,-0.2 -2,-0.2 0.963 114.5 45.4 -56.8 -50.7 86.0 12.7 30.4 743 58 D L H X S+ 0 0 55 -4,-3.6 4,-2.1 1,-0.2 5,-0.3 0.968 110.4 52.0 -57.6 -57.8 89.7 12.6 30.4 744 59 D E H X S+ 0 0 10 -4,-2.3 4,-1.1 1,-0.2 -1,-0.2 0.875 113.1 45.4 -48.9 -43.6 90.2 14.1 27.1 745 60 D L H >< S+ 0 0 0 -4,-2.6 3,-0.6 1,-0.2 -1,-0.2 0.933 113.0 49.2 -65.7 -47.6 88.0 17.1 28.0 746 61 D L H 3< S+ 0 0 11 -4,-2.6 3,-0.4 1,-0.3 -1,-0.2 0.691 107.4 56.5 -65.6 -23.7 89.6 17.5 31.4 747 62 D K H 3< S+ 0 0 117 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.752 106.0 48.7 -81.1 -26.3 93.0 17.5 29.8 748 63 D Q S << S- 0 0 87 -4,-1.1 2,-0.5 -3,-0.6 -1,-0.2 0.337 131.8 -93.0 -91.0 7.2 92.1 20.3 27.5 749 64 D G + 0 0 42 -3,-0.4 -1,-0.1 1,-0.2 -30,-0.0 -0.941 57.3 170.5 126.0-106.9 90.8 22.2 30.5 750 65 D A - 0 0 4 -2,-0.5 -1,-0.2 1,-0.1 3,-0.1 0.911 45.8-108.3 56.6 105.9 87.2 21.8 31.2 751 66 D S - 0 0 52 1,-0.2 -1,-0.1 2,-0.1 -22,-0.1 -0.467 29.6-165.3 -60.7 107.0 86.0 23.2 34.5 752 67 D P S S+ 0 0 23 0, 0.0 2,-0.9 0, 0.0 11,-0.3 0.795 76.3 71.6 -68.6 -25.8 85.3 20.0 36.5 753 68 D N + 0 0 81 30,-0.1 2,-0.3 9,-0.1 -2,-0.1 -0.815 67.9 122.3 -97.4 104.4 83.5 22.1 39.0 754 69 D V - 0 0 34 -2,-0.9 2,-0.3 5,-0.1 0, 0.0 -0.956 41.6-144.5-153.7 154.8 80.2 23.2 37.4 755 70 D Q - 0 0 102 -2,-0.3 6,-0.2 6,-0.1 5,-0.1 -0.873 7.7-123.1-133.3 163.4 76.6 22.7 38.3 756 71 D D > - 0 0 17 4,-1.9 3,-2.0 -2,-0.3 -1,-0.0 -0.229 41.2 -97.7 -89.3 178.3 73.1 22.1 36.8 757 72 D T T 3 S+ 0 0 117 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.957 135.8 47.5 -61.9 -43.1 69.9 24.1 37.2 758 73 D S T 3 S- 0 0 35 1,-0.1 32,-2.3 -308,-0.0 -1,-0.3 0.052 127.0-109.9 -83.9 24.6 69.2 21.5 39.8 759 74 D G S < S+ 0 0 12 -3,-2.0 -2,-0.1 30,-0.2 -1,-0.1 0.573 72.9 143.5 57.0 13.3 72.8 22.1 41.2 760 75 D T - 0 0 6 29,-0.1 -4,-1.9 -5,-0.1 -1,-0.2 -0.339 26.0-176.6 -77.8 163.1 73.9 18.7 39.9 761 76 D S >> - 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