==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=17-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 13-JUN-12 4FKU . COMPND 2 MOLECULE: CYCLIN-DEPENDENT KINASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR Y.N.KANG,J.A.STUCKEY . 293 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15010.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 179 61.1 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 13.7 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 . 1 0.3 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 . 18 6.1 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 . 73 24.9 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+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 1 1 0 1 0 0 2 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 . 0 1 1 0 1 1 1 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 . 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 51 0, 0.0 3,-1.7 0, 0.0 65,-0.0 0.000 360.0 360.0 360.0 -16.0 40.4 31.9 38.4 2 2 A E T 3 + 0 0 141 1,-0.3 0, 0.0 3,-0.1 0, 0.0 0.576 360.0 70.8 -69.7 -9.8 40.1 31.6 42.2 3 3 A N T 3 S+ 0 0 72 21,-0.1 21,-4.0 20,-0.1 22,-0.5 0.458 92.3 68.5 -83.3 -4.7 37.8 34.6 41.8 4 4 A F E < -A 23 0A 22 -3,-1.7 2,-0.5 19,-0.2 19,-0.2 -0.949 65.2-156.7-119.7 136.8 35.1 32.4 40.1 5 5 A Q E -A 22 0A 99 17,-2.5 17,-2.7 -2,-0.4 2,-0.3 -0.969 23.9-131.5-104.9 119.1 33.0 29.7 41.7 6 6 A K E +A 21 0A 86 -2,-0.5 15,-0.3 15,-0.2 3,-0.1 -0.555 25.2 179.4 -71.6 131.7 31.8 27.2 39.0 7 7 A V E - 0 0 63 13,-3.0 2,-0.3 1,-0.4 14,-0.2 0.844 63.4 -32.6 -95.6 -54.2 28.0 26.4 39.3 8 8 A E E -A 20 0A 109 12,-1.3 12,-2.9 0, 0.0 2,-0.4 -0.984 60.2 -97.2-164.7 157.6 27.6 24.0 36.4 9 9 A K E +A 19 0A 124 -2,-0.3 10,-0.3 10,-0.2 3,-0.1 -0.662 36.2 174.9 -79.5 130.4 28.9 23.1 33.0 10 10 A I E - 0 0 77 8,-2.7 2,-0.3 -2,-0.4 9,-0.2 0.575 53.9 -12.7-114.1 -12.4 26.7 24.6 30.3 11 11 A G E -A 18 0A 26 7,-1.6 7,-2.6 2,-0.0 2,-0.3 -0.989 43.0-151.2-176.3 167.6 28.4 23.8 27.0 12 12 A E E +A 17 0A 81 -2,-0.3 2,-0.2 5,-0.2 5,-0.2 -0.958 24.1 152.0-154.8 137.3 31.4 22.7 24.9 13 13 A G E > -A 16 0A 11 3,-2.5 3,-1.6 -2,-0.3 145,-0.0 -0.838 60.1 -65.8-149.7-175.6 32.6 23.5 21.4 14 14 A T T 3 S+ 0 0 34 1,-0.3 139,-0.1 -2,-0.2 3,-0.1 0.836 129.9 42.7 -47.2 -40.6 35.7 23.8 19.1 15 15 A Y T 3 S- 0 0 44 1,-0.2 21,-1.5 20,-0.1 2,-0.3 0.484 121.4 -67.5 -92.7 -3.8 37.0 26.8 21.1 16 16 A G E < -AB 13 35A 1 -3,-1.6 -3,-2.5 19,-0.3 2,-0.4 -0.957 53.3 -55.6 153.8-173.2 36.4 25.6 24.7 17 17 A V E -AB 12 34A 22 17,-1.8 17,-2.5 -2,-0.3 2,-0.4 -0.917 40.7-149.6-108.9 135.6 34.2 24.6 27.7 18 18 A V E -AB 11 33A 32 -7,-2.6 -8,-2.7 -2,-0.4 -7,-1.6 -0.902 14.2-174.7-110.1 132.4 31.6 27.0 29.1 19 19 A Y E -AB 9 32A 43 13,-2.6 13,-3.1 -2,-0.4 2,-0.4 -0.955 29.3-125.8-122.2 145.9 30.5 27.1 32.7 20 20 A K E +AB 8 31A 42 -12,-2.9 -13,-3.0 -2,-0.4 -12,-1.3 -0.745 50.0 173.2 -78.9 131.5 27.8 29.1 34.6 21 21 A A E -AB 6 30A 0 9,-2.6 9,-2.8 -2,-0.4 2,-0.4 -0.961 35.8-124.8-144.2 161.2 29.9 30.7 37.4 22 22 A R E -AB 5 29A 115 -17,-2.7 -17,-2.5 -2,-0.3 2,-0.7 -0.927 23.7-133.3-109.2 129.5 29.7 33.2 40.2 23 23 A N E > -A 4 0A 20 5,-3.3 4,-2.5 -2,-0.4 -19,-0.2 -0.774 13.9-156.7 -81.8 114.3 32.2 36.1 40.3 24 24 A K T 4 S+ 0 0 129 -21,-4.0 -1,-0.2 -2,-0.7 -20,-0.1 0.773 88.6 52.5 -66.8 -26.1 33.5 36.1 43.9 25 25 A L T 4 S+ 0 0 146 -22,-0.5 -1,-0.2 1,-0.1 -21,-0.1 0.937 127.3 16.3 -73.4 -50.6 34.5 39.8 43.7 26 26 A T T 4 S- 0 0 75 2,-0.1 -2,-0.2 0, 0.0 -1,-0.1 0.491 93.6-122.7-102.0 -16.0 31.2 41.2 42.4 27 27 A G < + 0 0 51 -4,-2.5 -3,-0.1 1,-0.3 2,-0.0 0.416 60.6 150.3 82.7 0.2 28.6 38.5 43.1 28 28 A E - 0 0 94 -5,-0.2 -5,-3.3 -6,-0.1 2,-0.5 -0.340 47.3-133.0 -67.0 148.5 27.8 38.5 39.4 29 29 A V E +B 22 0A 63 -7,-0.2 49,-0.5 -3,-0.1 2,-0.3 -0.879 42.3 162.4 -97.6 126.4 26.5 35.3 37.6 30 30 A V E -BC 21 77A 1 -9,-2.8 -9,-2.6 -2,-0.5 2,-0.6 -0.853 44.9-107.2-135.9 173.8 28.5 35.0 34.4 31 31 A A E -BC 20 76A 10 45,-2.8 45,-3.0 -2,-0.3 2,-0.6 -0.948 34.0-160.8-106.2 118.3 29.4 32.5 31.6 32 32 A L E -BC 19 75A 1 -13,-3.1 -13,-2.6 -2,-0.6 2,-0.6 -0.904 3.6-164.4-105.5 120.5 33.1 31.5 32.0 33 33 A K E -BC 18 74A 15 41,-3.1 41,-2.7 -2,-0.6 2,-0.7 -0.918 8.1-155.2-110.7 118.2 34.7 30.0 28.9 34 34 A K E -BC 17 73A 88 -17,-2.5 -17,-1.8 -2,-0.6 2,-0.3 -0.822 24.0-133.6 -90.7 117.8 38.0 28.2 29.3 35 35 A I E -B 16 0A 5 37,-2.5 37,-0.4 -2,-0.7 2,-0.3 -0.537 15.1-123.1 -77.6 130.9 39.6 28.4 25.9 36 36 A R 0 0 80 -21,-1.5 -1,-0.1 -2,-0.3 35,-0.0 -0.571 360.0 360.0 -77.2 127.5 41.1 25.1 24.6 37 37 A L 0 0 106 -2,-0.3 3,-0.1 3,-0.1 -21,-0.0 -0.864 360.0 360.0-110.4 360.0 44.8 25.4 23.8 38 ! 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 39 43 A G 0 0 83 0, 0.0 32,-0.1 0, 0.0 33,-0.0 0.000 360.0 360.0 360.0-155.3 50.8 28.9 26.4 40 44 A V - 0 0 14 -3,-0.1 5,-0.1 1,-0.1 30,-0.1 -0.735 360.0-107.1 -92.4 135.4 48.3 30.8 24.3 41 45 A P > - 0 0 53 0, 0.0 4,-1.5 0, 0.0 3,-0.3 -0.211 19.0-122.3 -62.2 155.8 49.7 32.5 21.1 42 46 A S H > S+ 0 0 71 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.837 111.4 56.7 -65.4 -34.2 50.1 36.3 20.9 43 47 A T H > S+ 0 0 75 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.817 104.8 53.0 -68.5 -31.5 47.9 36.6 17.8 44 48 A A H > S+ 0 0 0 -3,-0.3 4,-2.4 2,-0.2 5,-0.2 0.912 108.3 50.0 -68.7 -41.6 45.0 34.9 19.7 45 49 A I H X S+ 0 0 33 -4,-1.5 4,-2.0 2,-0.2 -2,-0.2 0.936 114.0 44.8 -62.2 -44.6 45.4 37.4 22.6 46 50 A R H X S+ 0 0 165 -4,-2.1 4,-1.5 2,-0.2 -2,-0.2 0.912 114.1 47.9 -66.3 -43.4 45.2 40.4 20.2 47 51 A E H X S+ 0 0 86 -4,-2.2 4,-0.9 1,-0.2 -1,-0.2 0.879 113.1 48.4 -64.3 -42.8 42.3 39.0 18.1 48 52 A I H X S+ 0 0 0 -4,-2.4 4,-0.9 1,-0.2 3,-0.4 0.855 105.5 59.0 -65.4 -36.0 40.3 38.2 21.3 49 53 A S H >< S+ 0 0 59 -4,-2.0 3,-0.8 1,-0.2 4,-0.4 0.892 100.8 55.8 -62.0 -34.8 41.1 41.7 22.6 50 54 A L H >< S+ 0 0 101 -4,-1.5 3,-1.3 1,-0.2 4,-0.3 0.828 98.2 62.9 -63.3 -33.2 39.3 43.1 19.4 51 55 A L H >< S+ 0 0 18 -4,-0.9 3,-1.1 -3,-0.4 11,-0.3 0.787 90.9 66.2 -63.8 -28.2 36.2 41.1 20.4 52 56 A K T << S+ 0 0 85 -4,-0.9 -1,-0.3 -3,-0.8 -2,-0.2 0.777 103.7 46.3 -64.2 -24.9 35.9 43.2 23.6 53 57 A E T < S+ 0 0 154 -3,-1.3 2,-1.5 -4,-0.4 -1,-0.2 0.472 87.0 92.2 -94.8 -1.4 35.2 46.2 21.4 54 58 A L < + 0 0 13 -3,-1.1 2,-0.4 -4,-0.3 8,-0.1 -0.632 61.5 164.6 -94.1 75.4 32.6 44.4 19.1 55 59 A N + 0 0 75 -2,-1.5 5,-0.1 6,-0.1 6,-0.1 -0.840 5.2 141.4-105.5 130.8 29.6 45.5 21.3 56 60 A H > - 0 0 48 -2,-0.4 3,-2.1 3,-0.4 54,-0.0 -0.975 58.8-109.3-159.5 152.1 25.9 45.3 20.2 57 61 A P T 3 S+ 0 0 92 0, 0.0 4,-0.1 0, 0.0 53,-0.1 0.749 119.5 48.4 -57.7 -24.8 22.6 44.4 21.8 58 62 A N T 3 S+ 0 0 8 80,-0.1 81,-2.7 48,-0.1 2,-0.4 0.132 97.3 80.5-107.0 22.6 22.5 41.1 19.7 59 63 A I B < S-e 139 0B 8 -3,-2.1 -3,-0.4 79,-0.3 81,-0.2 -0.996 91.3-108.8-123.9 128.4 26.0 40.0 20.5 60 64 A V - 0 0 10 79,-3.0 2,-0.3 -2,-0.4 -2,-0.1 -0.357 45.0-108.2 -54.2 128.7 26.7 38.2 23.9 61 65 A K - 0 0 96 -4,-0.1 16,-2.5 1,-0.1 2,-0.8 -0.488 21.3-148.3 -68.3 126.0 28.7 40.8 26.0 62 66 A L E +D 76 0A 5 -2,-0.3 14,-0.2 -11,-0.3 3,-0.1 -0.843 20.1 178.8 -94.0 108.6 32.4 39.9 26.5 63 67 A L E - 0 0 42 12,-2.3 2,-0.3 -2,-0.8 13,-0.2 0.878 56.7 -4.8 -81.2 -44.9 33.1 41.3 29.9 64 68 A D E -D 75 0A 82 11,-1.7 11,-2.9 2,-0.0 2,-0.5 -0.994 48.4-141.8-156.7 151.3 36.8 40.4 30.5 65 69 A V E -D 74 0A 36 -2,-0.3 2,-0.6 9,-0.2 9,-0.2 -0.977 21.0-165.6-113.6 120.8 39.7 38.5 29.0 66 70 A I E +D 73 0A 37 7,-3.1 7,-2.7 -2,-0.5 2,-0.7 -0.933 12.3 173.5-116.1 109.0 41.8 36.7 31.7 67 71 A H E +D 72 0A 79 -2,-0.6 2,-0.3 5,-0.2 5,-0.2 -0.902 25.2 141.4-114.9 94.6 45.1 35.5 30.4 68 72 A T E > +D 71 0A 64 3,-1.3 3,-2.0 -2,-0.7 -2,-0.1 -0.985 59.4 8.9-139.6 147.9 47.0 34.2 33.5 69 73 A E T 3 S- 0 0 169 -2,-0.3 -1,-0.1 1,-0.3 3,-0.1 0.810 126.9 -63.9 50.1 40.3 49.3 31.3 34.2 70 74 A N T 3 S+ 0 0 113 1,-0.2 2,-0.3 -3,-0.1 -1,-0.3 0.677 114.8 110.1 57.2 29.4 49.5 30.6 30.4 71 75 A K E < - D 0 68A 102 -3,-2.0 -3,-1.3 -32,-0.1 2,-0.5 -0.871 59.5-138.4-125.2 155.8 45.7 29.8 30.3 72 76 A L E + D 0 67A 1 -37,-0.4 -37,-2.5 -2,-0.3 2,-0.4 -0.975 20.1 176.4-124.2 125.8 42.9 31.8 28.6 73 77 A Y E -CD 34 66A 22 -7,-2.7 -7,-3.1 -2,-0.5 2,-0.5 -0.982 14.1-155.9-124.8 139.6 39.5 32.5 30.1 74 78 A L E -CD 33 65A 0 -41,-2.7 -41,-3.1 -2,-0.4 2,-0.6 -0.944 7.5-153.2-114.0 129.9 36.7 34.6 28.6 75 79 A V E +CD 32 64A 3 -11,-2.9 -12,-2.3 -2,-0.5 -11,-1.7 -0.938 22.9 175.3-104.0 120.4 34.1 36.0 31.0 76 80 A F E -CD 31 62A 24 -45,-3.0 -45,-2.8 -2,-0.6 -14,-0.2 -0.794 37.8 -92.6-118.2 160.7 30.8 36.7 29.3 77 81 A E E -C 30 0A 48 -16,-2.5 2,-0.4 -2,-0.3 -47,-0.2 -0.365 47.7-120.1 -65.4 155.3 27.4 37.8 30.3 78 82 A F - 0 0 36 -49,-0.5 2,-0.3 -57,-0.0 -49,-0.1 -0.845 25.3-172.1-104.4 133.6 25.1 34.9 31.1 79 83 A L - 0 0 14 -2,-0.4 53,-0.1 53,-0.1 52,-0.0 -0.941 24.1-132.5-120.1 147.5 21.8 34.1 29.4 80 84 A H S S+ 0 0 105 -2,-0.3 2,-0.3 51,-0.3 52,-0.1 0.600 76.6 22.1 -82.0 -18.1 19.5 31.4 30.7 81 85 A Q E -F 131 0B 11 50,-1.1 50,-2.8 213,-0.1 2,-0.2 -0.993 61.4-137.3-150.4 151.3 18.6 29.4 27.6 82 86 A D E > -F 130 0B 41 -2,-0.3 4,-2.0 48,-0.2 48,-0.2 -0.639 32.1-111.8-102.5 166.6 19.7 28.6 24.0 83 87 A L H > S+ 0 0 0 46,-2.4 4,-2.9 43,-1.1 5,-0.2 0.848 114.5 61.4 -67.4 -31.3 17.6 28.5 20.9 84 88 A K H > S+ 0 0 91 42,-0.8 4,-2.3 45,-0.3 -1,-0.2 0.952 109.0 41.9 -61.3 -48.9 18.1 24.7 20.6 85 89 A K H > S+ 0 0 114 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.908 114.1 51.6 -64.9 -39.3 16.5 24.1 24.0 86 90 A F H X S+ 0 0 7 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.902 110.1 49.1 -64.9 -40.2 13.7 26.6 23.3 87 91 A M H < S+ 0 0 19 -4,-2.9 -1,-0.2 2,-0.2 -2,-0.2 0.914 112.0 48.5 -66.7 -39.5 12.9 24.9 19.9 88 92 A D H >< S+ 0 0 112 -4,-2.3 3,-1.5 1,-0.2 4,-0.3 0.928 112.4 48.8 -63.3 -43.4 12.8 21.5 21.6 89 93 A A H 3< S+ 0 0 75 -4,-2.8 3,-0.3 1,-0.3 -1,-0.2 0.797 114.4 46.5 -62.7 -30.4 10.5 23.0 24.4 90 94 A S T 3X S+ 0 0 15 -4,-1.8 4,-3.4 -5,-0.2 -1,-0.3 0.212 81.8 108.5 -94.8 8.6 8.3 24.5 21.7 91 95 A A T <4 S+ 0 0 48 -3,-1.5 -1,-0.2 1,-0.2 -2,-0.1 0.811 75.9 49.0 -61.0 -37.8 8.2 21.3 19.5 92 96 A L T 4 S+ 0 0 169 -3,-0.3 -1,-0.2 -4,-0.3 -2,-0.1 0.876 129.6 19.3 -72.4 -35.1 4.5 20.3 20.2 93 97 A T T 4 S- 0 0 116 -3,-0.2 -2,-0.2 -4,-0.2 -1,-0.1 0.716 102.5-127.6-104.6 -29.8 3.1 23.8 19.5 94 98 A G < - 0 0 14 -4,-3.4 -3,-0.1 -7,-0.2 99,-0.1 0.185 32.9 -75.2 85.8 148.3 5.8 25.6 17.4 95 99 A I - 0 0 14 97,-0.5 5,-0.1 1,-0.1 -8,-0.0 -0.630 61.2-103.2 -70.9 132.7 7.3 29.0 18.1 96 100 A P >> - 0 0 81 0, 0.0 4,-2.3 0, 0.0 3,-1.1 -0.287 26.4-120.4 -61.6 142.7 4.7 31.7 17.1 97 101 A L H 3> S+ 0 0 64 1,-0.3 4,-2.9 2,-0.2 5,-0.3 0.873 111.6 57.5 -52.6 -45.1 5.5 33.4 13.8 98 102 A P H 3> S+ 0 0 67 0, 0.0 4,-1.9 0, 0.0 188,-0.4 0.873 110.6 45.0 -57.4 -32.0 5.8 36.9 15.3 99 103 A L H <> S+ 0 0 6 -3,-1.1 4,-2.7 2,-0.2 5,-0.2 0.909 111.6 51.0 -77.8 -39.3 8.5 35.5 17.7 100 104 A I H X S+ 0 0 5 -4,-2.3 4,-2.6 1,-0.2 5,-0.2 0.936 112.1 48.6 -56.4 -48.7 10.3 33.7 14.9 101 105 A K H X S+ 0 0 14 -4,-2.9 4,-2.6 2,-0.2 -2,-0.2 0.907 111.2 49.6 -59.7 -44.2 10.2 36.9 12.9 102 106 A S H X S+ 0 0 4 -4,-1.9 4,-2.5 -5,-0.3 -1,-0.2 0.924 112.1 47.5 -60.8 -45.7 11.5 39.0 15.9 103 107 A Y H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.917 113.3 48.0 -63.7 -43.6 14.4 36.5 16.5 104 108 A L H X S+ 0 0 0 -4,-2.6 4,-2.4 -5,-0.2 -2,-0.2 0.931 112.5 49.1 -62.3 -45.0 15.3 36.5 12.8 105 109 A F H X S+ 0 0 47 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.918 112.3 47.8 -59.1 -46.9 15.2 40.3 12.6 106 110 A Q H X S+ 0 0 13 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.894 111.1 50.0 -64.5 -40.2 17.4 40.7 15.7 107 111 A L H X S+ 0 0 1 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.895 109.4 51.7 -69.8 -33.9 19.9 38.1 14.5 108 112 A L H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 -1,-0.2 0.882 108.5 52.1 -66.3 -36.8 20.1 39.9 11.1 109 113 A Q H X S+ 0 0 71 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.924 111.3 46.8 -62.6 -44.5 20.7 43.2 13.1 110 114 A G H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.914 114.7 46.2 -64.1 -41.8 23.6 41.5 15.0 111 115 A L H X S+ 0 0 0 -4,-2.7 4,-3.3 2,-0.2 5,-0.3 0.897 108.0 55.7 -67.4 -39.3 25.1 40.1 11.8 112 116 A A H X S+ 0 0 26 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.923 111.4 46.1 -59.9 -37.5 24.8 43.4 9.9 113 117 A F H X S+ 0 0 50 -4,-1.9 4,-1.0 2,-0.2 -2,-0.2 0.957 114.8 45.3 -67.9 -52.3 26.8 44.9 12.7 114 118 A C H ><>S+ 0 0 0 -4,-2.5 5,-2.4 1,-0.2 3,-0.9 0.934 114.6 49.3 -50.4 -54.6 29.5 42.1 12.8 115 119 A H H ><5S+ 0 0 24 -4,-3.3 3,-1.9 1,-0.3 -1,-0.2 0.866 103.9 57.5 -60.7 -36.7 29.7 42.1 9.0 116 120 A S H 3<5S+ 0 0 83 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.758 109.0 48.3 -66.1 -24.0 30.2 45.9 8.8 117 121 A H T <<5S- 0 0 104 -4,-1.0 -1,-0.3 -3,-0.9 -2,-0.2 0.194 121.2-111.5 -97.0 13.7 33.2 45.4 11.1 118 122 A R T < 5S+ 0 0 218 -3,-1.9 2,-0.5 1,-0.2 -3,-0.2 0.793 73.8 137.6 59.0 34.2 34.5 42.6 8.9 119 123 A V < - 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