==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-AUG-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 22-MAR-11 3R71 . COMPND 2 MOLECULE: CYCLIN-DEPENDENT KINASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.BETZI,R.ALAM,H.HAN,A.BECKER,E.SCHONBRUNN . 294 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15130.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 191 65.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 40 13.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 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 . 24 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 77 26.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 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 2 2 0 1 0 1 1 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 1 1 1 0 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 . 0 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 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 1 A M 0 0 100 0, 0.0 4,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-157.7 79.2 58.4 -11.0 2 2 A E + 0 0 152 2,-0.1 3,-0.0 0, 0.0 22,-0.0 0.171 360.0 30.4-163.9 -56.0 79.8 60.9 -13.8 3 3 A N S S+ 0 0 81 1,-0.1 21,-2.4 21,-0.1 22,-0.5 0.401 113.3 70.5 -98.1 -1.1 77.6 60.3 -16.8 4 4 A F E -A 23 0A 26 19,-0.2 2,-0.5 20,-0.1 19,-0.2 -0.972 66.7-151.5-126.6 123.9 74.8 58.9 -14.7 5 5 A Q E -A 22 0A 93 17,-3.0 17,-2.8 -2,-0.5 2,-0.4 -0.795 27.4-124.9 -90.4 124.4 72.5 60.7 -12.3 6 6 A K E +A 21 0A 96 -2,-0.5 15,-0.2 15,-0.2 3,-0.1 -0.569 30.8 176.3 -74.4 124.2 71.3 58.4 -9.5 7 7 A V E - 0 0 74 13,-2.9 2,-0.3 -2,-0.4 14,-0.2 0.881 62.0 -26.9 -92.7 -50.0 67.5 58.4 -9.3 8 8 A E E -A 20 0A 112 12,-1.4 12,-3.3 3,-0.0 2,-0.6 -0.972 62.0-100.6-165.4 153.5 66.9 55.8 -6.5 9 9 A K E -A 19 0A 106 -2,-0.3 10,-0.3 10,-0.2 3,-0.1 -0.693 24.0-170.5 -83.1 119.1 68.5 52.7 -5.0 10 10 A I E - 0 0 88 8,-1.9 2,-0.3 -2,-0.6 9,-0.2 0.864 51.9 -99.2 -75.4 -36.3 66.9 49.5 -6.2 11 11 A G E -A 18 0A 21 7,-1.6 7,-2.7 -3,-0.1 2,-0.7 -0.942 45.5 -46.4 148.8-170.6 68.8 47.5 -3.6 12 12 A E E -A 17 0A 73 -2,-0.3 5,-0.2 5,-0.2 143,-0.1 -0.886 56.7-162.1-101.3 112.7 71.8 45.2 -2.9 13 13 A G - 0 0 25 3,-2.8 143,-0.5 -2,-0.7 5,-0.0 -0.122 38.2 -89.3 -82.9-175.8 72.1 42.6 -5.7 14 14 A T S S+ 0 0 27 1,-0.2 142,-0.1 141,-0.1 3,-0.1 0.765 128.0 28.3 -67.6 -23.8 74.0 39.4 -5.6 15 15 A Y S S- 0 0 28 1,-0.3 21,-2.5 140,-0.1 2,-0.3 0.560 129.0 -51.7-112.5 -13.0 77.1 41.2 -6.9 16 16 A G S S- 0 0 7 19,-0.2 -3,-2.8 20,-0.1 -1,-0.3 -0.974 78.9 -29.2 163.3-174.9 76.7 44.7 -5.6 17 17 A V E -A 12 0A 24 -2,-0.3 17,-2.4 -5,-0.2 2,-0.4 -0.374 48.9-154.7 -70.0 142.0 74.5 47.8 -5.3 18 18 A V E -AB 11 33A 17 -7,-2.7 -8,-1.9 15,-0.2 -7,-1.6 -0.971 11.5-174.1-121.1 133.2 72.0 48.5 -8.0 19 19 A Y E -AB 9 32A 46 13,-2.5 13,-3.2 -2,-0.4 2,-0.5 -0.932 28.6-128.9-125.0 149.3 70.7 52.0 -8.8 20 20 A K E +AB 8 31A 38 -12,-3.3 -13,-2.9 -2,-0.3 -12,-1.4 -0.823 48.5 175.1 -87.0 131.9 68.0 53.3 -11.1 21 21 A A E -AB 6 30A 0 9,-2.7 9,-3.0 -2,-0.5 2,-0.5 -0.956 31.4-131.2-142.2 162.3 69.9 56.1 -13.0 22 22 A R E -AB 5 29A 86 -17,-2.8 -17,-3.0 -2,-0.3 2,-0.7 -0.957 22.6-127.5-119.1 127.9 69.6 58.6 -15.8 23 23 A N E > -A 4 0A 27 5,-3.4 4,-3.2 -2,-0.5 -19,-0.2 -0.616 19.0-152.1 -70.4 114.2 72.1 59.0 -18.5 24 24 A K T 4 S+ 0 0 127 -21,-2.4 -1,-0.2 -2,-0.7 -20,-0.1 0.783 90.2 45.7 -61.5 -29.6 72.9 62.7 -18.4 25 25 A L T 4 S+ 0 0 159 -22,-0.5 -1,-0.2 1,-0.1 -21,-0.1 0.867 129.2 21.1 -83.0 -38.5 73.8 62.9 -22.1 26 26 A T T 4 S- 0 0 97 2,-0.1 -2,-0.2 0, 0.0 3,-0.1 0.697 92.6-129.8-101.3 -25.5 70.9 60.8 -23.6 27 27 A G < + 0 0 32 -4,-3.2 -3,-0.1 1,-0.3 -2,-0.0 0.388 53.6 154.5 88.4 -4.6 68.4 61.1 -20.8 28 28 A E - 0 0 89 -5,-0.2 -5,-3.4 -6,-0.1 2,-0.5 -0.296 40.5-136.4 -58.9 137.2 68.0 57.3 -21.0 29 29 A V E +B 22 0A 63 -7,-0.2 50,-0.6 -3,-0.1 2,-0.2 -0.884 37.9 159.6-101.7 126.5 66.8 55.7 -17.7 30 30 A V E -BC 21 78A 0 -9,-3.0 -9,-2.7 -2,-0.5 2,-0.5 -0.797 45.1-104.3-138.5 177.7 68.7 52.5 -16.9 31 31 A A E -BC 20 77A 12 46,-3.0 46,-3.1 -2,-0.2 2,-0.6 -0.949 34.7-160.9-108.6 124.7 69.7 50.1 -14.1 32 32 A L E -BC 19 76A 6 -13,-3.2 -13,-2.5 -2,-0.5 2,-0.5 -0.936 5.3-168.6-112.4 119.7 73.3 50.6 -13.1 33 33 A K E -BC 18 75A 30 42,-3.1 42,-2.6 -2,-0.6 2,-0.7 -0.928 12.4-151.4-112.5 126.2 75.0 47.8 -11.2 34 34 A K E - C 0 74A 69 -17,-2.4 2,-0.5 -2,-0.5 40,-0.2 -0.849 21.9-141.1 -94.2 117.0 78.3 48.2 -9.5 35 35 A I E C 0 73A 13 38,-3.4 38,-0.6 -2,-0.7 -19,-0.2 -0.690 360.0 360.0 -85.9 127.3 80.1 44.8 -9.6 36 36 A R 0 0 176 -21,-2.5 -1,-0.1 -2,-0.5 5,-0.1 0.835 360.0 360.0 -50.5 360.0 82.0 43.8 -6.5 37 ! 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 38 41 A T 0 0 138 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -47.0 88.0 42.6 -5.4 39 42 A E - 0 0 185 33,-0.0 33,-0.1 0, 0.0 32,-0.1 -0.679 360.0 -2.3-150.7 93.1 91.3 44.0 -6.9 40 43 A G S S- 0 0 46 31,-0.4 32,-0.1 -2,-0.2 31,-0.1 0.170 91.1-106.0 119.1 -20.4 92.0 44.4 -10.6 41 44 A V - 0 0 25 30,-0.1 2,-0.1 -5,-0.1 5,-0.1 0.910 41.0-100.8 60.4 101.1 88.8 43.0 -12.3 42 45 A P >> - 0 0 84 0, 0.0 4,-1.7 0, 0.0 3,-0.7 -0.299 23.6-141.7 -54.4 120.1 89.6 39.5 -13.8 43 46 A S H 3> S+ 0 0 59 1,-0.3 4,-2.6 2,-0.2 5,-0.2 0.848 100.1 60.2 -52.3 -38.9 90.2 39.9 -17.6 44 47 A T H 3> S+ 0 0 82 1,-0.2 4,-2.5 2,-0.2 -1,-0.3 0.916 103.7 49.6 -57.9 -43.7 88.3 36.7 -18.2 45 48 A A H <> S+ 0 0 5 -3,-0.7 4,-3.1 1,-0.2 5,-0.3 0.913 109.3 53.5 -62.5 -40.9 85.2 38.1 -16.6 46 49 A I H X S+ 0 0 33 -4,-1.7 4,-2.2 1,-0.2 -2,-0.2 0.943 110.8 44.4 -59.3 -49.0 85.5 41.2 -18.8 47 50 A R H X S+ 0 0 150 -4,-2.6 4,-1.4 2,-0.2 -1,-0.2 0.921 116.8 47.0 -63.5 -41.7 85.7 39.2 -22.0 48 51 A E H X S+ 0 0 48 -4,-2.5 4,-0.9 -5,-0.2 3,-0.4 0.945 113.2 45.6 -65.8 -50.3 82.8 37.0 -21.0 49 52 A I H >< S+ 0 0 0 -4,-3.1 3,-0.8 1,-0.2 4,-0.4 0.873 108.8 58.9 -61.7 -35.9 80.5 39.7 -19.8 50 53 A S H >< S+ 0 0 50 -4,-2.2 3,-1.6 -5,-0.3 4,-0.3 0.867 96.8 60.3 -61.9 -35.6 81.3 41.7 -23.0 51 54 A L H >< S+ 0 0 137 -4,-1.4 3,-1.6 -3,-0.4 -1,-0.3 0.838 93.5 67.7 -60.6 -30.4 80.1 38.8 -25.1 52 55 A L G X< S+ 0 0 20 -4,-0.9 3,-1.4 -3,-0.8 11,-0.3 0.684 78.2 79.2 -64.4 -19.5 76.7 39.2 -23.4 53 56 A K G < S+ 0 0 82 -3,-1.6 -1,-0.3 -4,-0.4 -2,-0.2 0.763 96.5 47.1 -60.4 -24.0 76.2 42.7 -25.1 54 57 A E G < S+ 0 0 152 -3,-1.6 2,-2.1 -4,-0.3 -1,-0.3 0.508 81.9 98.7 -96.8 -2.9 75.2 40.7 -28.2 55 58 A L < + 0 0 19 -3,-1.4 2,-0.5 -4,-0.2 8,-0.2 -0.528 58.5 166.6 -83.0 76.6 72.8 38.3 -26.5 56 59 A N + 0 0 56 -2,-2.1 5,-0.1 6,-0.1 -3,-0.0 -0.817 7.6 142.5-104.8 127.5 69.7 40.3 -27.5 57 60 A H > - 0 0 39 -2,-0.5 3,-2.3 3,-0.4 54,-0.0 -0.986 56.3-113.2-155.9 146.6 66.1 39.2 -27.2 58 61 A P T 3 S+ 0 0 91 0, 0.0 4,-0.1 0, 0.0 53,-0.1 0.716 118.3 46.7 -56.0 -21.9 62.8 40.8 -26.3 59 62 A N T 3 S+ 0 0 10 80,-0.1 81,-2.7 48,-0.1 2,-0.4 0.123 98.5 82.5-108.0 22.1 62.5 38.6 -23.2 60 63 A I B < S-e 140 0B 9 -3,-2.3 -3,-0.4 79,-0.3 2,-0.3 -0.994 87.7-116.0-125.5 123.1 66.1 39.2 -22.0 61 64 A V - 0 0 10 79,-2.3 81,-0.2 -2,-0.4 82,-0.1 -0.431 43.3-115.4 -59.3 120.3 66.9 42.4 -20.1 62 65 A K - 0 0 87 -2,-0.3 16,-2.3 -4,-0.1 2,-0.9 -0.373 13.3-139.3 -67.9 132.5 69.3 44.2 -22.4 63 66 A L E -D 77 0A 10 -11,-0.3 14,-0.2 14,-0.2 3,-0.1 -0.823 23.4-178.8 -88.4 108.6 72.9 44.7 -21.4 64 67 A L E - 0 0 29 12,-2.5 2,-0.3 -2,-0.9 13,-0.2 0.861 58.3 -9.1 -80.2 -37.7 73.5 48.3 -22.6 65 68 A D E -D 76 0A 89 11,-1.6 11,-2.9 2,-0.0 2,-0.6 -0.988 45.2-145.3-162.1 152.6 77.2 48.7 -21.5 66 69 A V E -D 75 0A 26 -2,-0.3 2,-0.7 9,-0.2 9,-0.2 -0.972 25.8-161.7-121.4 108.4 80.0 47.2 -19.6 67 70 A I E +D 74 0A 44 7,-2.6 7,-2.5 -2,-0.6 2,-0.6 -0.858 15.7 175.0-101.3 117.8 82.1 49.9 -18.1 68 71 A H E +D 73 0A 76 -2,-0.7 2,-0.3 5,-0.2 5,-0.2 -0.882 29.5 133.0-121.0 90.4 85.5 49.0 -16.9 69 72 A T E > +D 72 0A 81 3,-0.7 3,-1.7 -2,-0.6 -2,-0.0 -0.968 63.7 17.1-139.0 153.1 87.1 52.3 -15.8 70 73 A E T 3 S- 0 0 154 -2,-0.3 3,-0.1 1,-0.3 -1,-0.1 0.794 127.7 -71.9 54.1 27.7 89.1 53.3 -12.7 71 74 A N T 3 S+ 0 0 114 1,-0.2 -31,-0.4 -31,-0.1 2,-0.3 0.899 109.3 122.8 53.0 42.8 89.6 49.6 -12.3 72 75 A K E < - D 0 69A 77 -3,-1.7 -3,-0.7 -32,-0.1 2,-0.5 -0.848 56.7-134.2-124.8 160.8 85.9 49.4 -11.3 73 76 A L E +CD 35 68A 9 -38,-0.6 -38,-3.4 -2,-0.3 2,-0.4 -0.958 25.3 170.3-127.4 118.4 83.1 47.3 -13.0 74 77 A Y E -CD 34 67A 34 -7,-2.5 -7,-2.6 -2,-0.5 2,-0.4 -0.962 16.4-157.4-123.7 141.8 79.7 48.7 -13.8 75 78 A L E -CD 33 66A 0 -42,-2.6 -42,-3.1 -2,-0.4 2,-0.6 -0.969 8.1-153.7-118.3 132.5 77.0 47.0 -15.8 76 79 A V E -CD 32 65A 3 -11,-2.9 -12,-2.5 -2,-0.4 -11,-1.6 -0.952 20.1-178.0-110.9 122.0 74.3 49.1 -17.4 77 80 A F E -CD 31 63A 12 -46,-3.1 -46,-3.0 -2,-0.6 -14,-0.2 -0.825 35.3 -94.2-120.4 156.1 71.0 47.4 -18.1 78 81 A E E -C 30 0A 45 -16,-2.3 2,-0.4 -2,-0.3 -48,-0.2 -0.314 49.7-123.2 -57.7 145.7 67.7 48.2 -19.6 79 82 A F - 0 0 39 -50,-0.6 2,-0.3 -49,-0.1 -50,-0.1 -0.852 29.0-179.5-103.7 134.8 65.3 49.4 -16.8 80 83 A L - 0 0 15 -2,-0.4 53,-0.1 53,-0.1 52,-0.0 -0.954 28.8-129.1-125.5 149.1 61.9 47.8 -16.0 81 84 A H S S+ 0 0 104 -2,-0.3 2,-0.3 51,-0.2 52,-0.1 0.601 79.3 22.6 -78.2 -12.9 59.7 49.1 -13.2 82 85 A Q E -F 132 0B 20 50,-1.1 50,-2.6 211,-0.0 2,-0.3 -0.997 61.3-138.1-153.2 152.9 58.9 45.9 -11.2 83 86 A D E > -F 131 0B 43 -2,-0.3 4,-2.0 48,-0.2 48,-0.2 -0.802 30.7-114.9-110.0 157.3 60.2 42.4 -10.5 84 87 A L H > S+ 0 0 0 46,-3.0 4,-2.6 43,-0.8 44,-0.2 0.775 111.2 61.5 -60.9 -29.7 58.1 39.3 -10.3 85 88 A K H > S+ 0 0 87 42,-0.8 4,-2.3 45,-0.3 -1,-0.2 0.977 109.1 41.5 -62.6 -51.2 58.8 38.7 -6.6 86 89 A K H > S+ 0 0 127 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.904 114.2 52.9 -61.1 -39.3 57.2 42.0 -5.7 87 90 A F H X S+ 0 0 9 -4,-2.0 4,-0.7 1,-0.2 -1,-0.2 0.873 109.1 49.8 -65.9 -35.3 54.3 41.4 -8.2 88 91 A M H >< S+ 0 0 19 -4,-2.6 3,-0.8 2,-0.2 4,-0.5 0.931 110.3 48.4 -69.8 -43.3 53.7 38.0 -6.6 89 92 A D H >< S+ 0 0 102 -4,-2.3 3,-1.0 1,-0.3 4,-0.2 0.910 112.1 51.4 -60.7 -40.1 53.6 39.4 -3.1 90 93 A A H 3< S+ 0 0 77 -4,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.646 113.6 44.3 -69.8 -16.7 51.2 42.1 -4.4 91 94 A S T > - 0 0 77 0, 0.0 4,-2.2 0, 0.0 3,-1.1 -0.292 25.4-118.6 -58.6 141.3 45.3 35.0 -13.1 98 101 A L H 3> S+ 0 0 67 1,-0.3 4,-3.0 2,-0.2 5,-0.2 0.842 112.2 58.2 -51.0 -38.3 46.1 31.8 -15.0 99 102 A P H 3> S+ 0 0 66 0, 0.0 4,-2.1 0, 0.0 188,-0.4 0.886 110.1 43.6 -61.0 -36.2 46.2 33.6 -18.4 100 103 A L H <> S+ 0 0 4 -3,-1.1 4,-2.7 2,-0.2 -2,-0.2 0.857 112.3 52.3 -76.0 -35.8 48.9 35.9 -17.1 101 104 A I H X S+ 0 0 5 -4,-2.2 4,-2.8 2,-0.2 5,-0.2 0.939 112.7 46.3 -63.6 -43.4 50.8 33.1 -15.5 102 105 A K H X S+ 0 0 12 -4,-3.0 4,-2.6 -5,-0.2 -2,-0.2 0.908 111.9 50.0 -65.7 -41.6 50.7 31.2 -18.8 103 106 A S H X S+ 0 0 4 -4,-2.1 4,-2.4 -5,-0.2 -1,-0.2 0.926 113.2 46.7 -63.0 -44.3 51.7 34.3 -20.8 104 107 A Y H X S+ 0 0 0 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.927 112.4 48.6 -65.4 -44.9 54.6 34.9 -18.4 105 108 A L H X S+ 0 0 0 -4,-2.8 4,-2.5 -5,-0.2 -2,-0.2 0.924 111.8 51.2 -59.8 -42.5 55.8 31.2 -18.5 106 109 A F H X S+ 0 0 57 -4,-2.6 4,-1.6 1,-0.2 -2,-0.2 0.927 112.5 44.7 -60.0 -47.7 55.5 31.3 -22.3 107 110 A Q H X S+ 0 0 14 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.882 111.8 52.5 -65.6 -40.5 57.6 34.4 -22.6 108 111 A L H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.914 108.2 51.3 -63.2 -41.0 60.2 33.2 -20.1 109 112 A L H X S+ 0 0 0 -4,-2.5 4,-2.9 1,-0.2 -1,-0.2 0.854 107.1 53.7 -63.7 -35.9 60.6 29.9 -22.0 110 113 A Q H X S+ 0 0 62 -4,-1.6 4,-2.3 2,-0.2 -1,-0.2 0.911 109.4 48.8 -64.5 -40.6 61.2 31.9 -25.2 111 114 A G H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 5,-0.2 0.927 113.2 46.3 -63.6 -44.7 64.0 33.8 -23.4 112 115 A L H X S+ 0 0 0 -4,-2.5 4,-3.0 2,-0.2 5,-0.3 0.928 110.0 53.9 -63.4 -43.2 65.5 30.6 -22.2 113 116 A A H X S+ 0 0 23 -4,-2.9 4,-1.8 1,-0.2 -1,-0.2 0.924 110.7 47.8 -58.0 -43.0 65.2 29.0 -25.6 114 117 A F H X S+ 0 0 40 -4,-2.3 4,-0.9 2,-0.2 -2,-0.2 0.963 115.6 41.6 -62.1 -53.7 67.1 31.9 -27.1 115 118 A C H ><>S+ 0 0 0 -4,-2.6 5,-2.5 1,-0.2 3,-0.9 0.927 114.5 52.0 -62.1 -43.6 69.9 32.0 -24.6 116 119 A H H ><5S+ 0 0 21 -4,-3.0 3,-1.6 1,-0.3 -1,-0.2 0.835 103.2 57.4 -62.7 -33.2 70.3 28.2 -24.5 117 120 A S H 3<5S+ 0 0 77 -4,-1.8 -1,-0.3 -5,-0.3 -2,-0.2 0.761 108.7 47.9 -69.3 -22.4 70.5 28.1 -28.3 118 121 A H T <<5S- 0 0 105 -3,-0.9 -1,-0.3 -4,-0.9 -2,-0.2 0.192 122.0-112.0 -98.1 13.1 73.5 30.4 -27.9 119 122 A R T < 5S+ 0 0 218 -3,-1.6 2,-0.5 1,-0.2 -3,-0.2 0.836 72.3 138.1 59.3 38.0 74.9 28.2 -25.2 120 123 A V < - 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