==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-APR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HORMONE/GROWTH FACTOR 14-JUL-98 1CKP . COMPND 2 MOLECULE: PROTEIN (CYCLIN-DEPENDENT PROTEIN KINASE 2); . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR N.S.GRAY,A.M.W.H.THUNNISSEN,P.G.SCHULTZ,S.H.KIM . 279 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14040.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 179 64.2 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 . 39 14.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 20 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 76 27.2 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 2 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 2 0 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 45 0, 0.0 3,-1.6 0, 0.0 64,-0.0 0.000 360.0 360.0 360.0 -44.7 39.9 32.4 39.4 2 2 A E T 3 + 0 0 151 1,-0.3 22,-0.0 3,-0.1 0, 0.0 0.380 360.0 82.1 -74.9 5.6 39.5 31.4 43.1 3 3 A N T 3 S+ 0 0 70 21,-0.1 21,-1.4 20,-0.1 22,-0.7 0.329 83.6 80.1 -87.4 2.5 37.2 34.4 42.9 4 4 A F E < -A 23 0A 21 -3,-1.6 2,-0.6 19,-0.2 19,-0.2 -0.933 61.7-158.9-122.3 141.4 34.6 31.9 41.5 5 5 A Q E -A 22 0A 106 17,-2.4 17,-1.4 -2,-0.4 2,-0.4 -0.940 26.5-133.0-114.3 103.6 32.3 29.3 43.0 6 6 A K E -A 21 0A 94 -2,-0.6 15,-0.3 15,-0.2 3,-0.1 -0.457 22.7-175.1 -60.9 112.3 31.3 26.7 40.5 7 7 A V E - 0 0 71 13,-2.8 2,-0.3 -2,-0.4 14,-0.2 0.845 60.7 -41.7 -76.7 -40.4 27.5 26.5 41.0 8 8 A E E -A 20 0A 117 12,-1.6 12,-3.7 -3,-0.1 2,-0.5 -0.918 59.7 -87.7 178.3 160.1 27.2 23.6 38.4 9 9 A K E -A 19 0A 98 -2,-0.3 10,-0.3 10,-0.2 3,-0.1 -0.717 26.9-173.8 -85.0 120.8 28.2 22.2 35.1 10 10 A I E - 0 0 90 8,-2.5 2,-0.3 -2,-0.5 -1,-0.2 0.945 53.7 -91.9 -75.2 -52.8 26.0 23.4 32.2 11 11 A G E -A 18 0A 19 7,-1.4 7,-3.1 5,-0.0 2,-0.6 -0.990 51.3 -40.5 166.7-168.0 27.7 21.1 29.7 12 12 A E E -A 17 0A 139 -2,-0.3 5,-0.2 5,-0.2 2,-0.1 -0.795 51.0-164.3 -91.9 118.2 30.4 20.6 27.1 13 13 A G E > -A 16 0A 27 3,-3.3 3,-0.5 -2,-0.6 112,-0.0 -0.323 37.9 -97.2 -88.8-179.3 31.0 23.6 24.9 14 14 A T T 3 S+ 0 0 63 1,-0.2 3,-0.1 -2,-0.1 -1,-0.1 0.873 124.3 31.1 -68.3 -34.2 32.9 23.5 21.6 15 15 A Y T 3 S- 0 0 52 1,-0.2 2,-0.3 130,-0.0 -1,-0.2 0.177 131.9 -48.0-109.6 14.9 36.1 24.7 23.3 16 16 A G E < S-A 13 0A 16 -3,-0.5 -3,-3.3 2,-0.0 -1,-0.2 -0.898 80.2 -35.1 148.0-176.6 35.7 23.2 26.7 17 17 A V E -AB 12 34A 17 17,-0.6 17,-2.6 -2,-0.3 2,-0.5 -0.507 47.5-145.4 -79.1 144.7 33.4 22.7 29.7 18 18 A V E -AB 11 33A 29 -7,-3.1 -8,-2.5 15,-0.2 -7,-1.4 -0.961 16.6-172.8-115.6 125.2 30.9 25.4 30.7 19 19 A Y E -AB 9 32A 56 13,-3.0 13,-3.3 -2,-0.5 2,-0.5 -0.890 26.2-128.0-116.7 146.6 30.1 26.0 34.3 20 20 A K E -AB 8 31A 44 -12,-3.7 -13,-2.8 -2,-0.3 -12,-1.6 -0.819 44.1-177.6 -87.2 128.3 27.5 28.2 36.0 21 21 A A E -AB 6 30A 0 9,-3.1 9,-2.7 -2,-0.5 2,-0.4 -0.862 28.4-140.2-130.3 164.9 29.5 30.2 38.5 22 22 A R E -AB 5 29A 113 -17,-1.4 -17,-2.4 -2,-0.3 2,-1.2 -0.996 26.0-125.4-124.6 126.9 29.1 32.8 41.2 23 23 A N E > -A 4 0A 15 5,-3.0 4,-4.1 -2,-0.4 -19,-0.2 -0.645 18.9-154.7 -72.4 98.1 31.6 35.6 41.6 24 24 A K T 4 S+ 0 0 112 -21,-1.4 -1,-0.2 -2,-1.2 -20,-0.1 0.816 92.6 44.8 -43.9 -33.7 32.5 35.1 45.3 25 25 A L T 4 S+ 0 0 138 -22,-0.7 -1,-0.2 1,-0.1 -21,-0.1 0.992 128.6 19.4 -74.9 -73.6 33.4 38.7 45.3 26 26 A T T 4 S- 0 0 86 1,-0.1 -2,-0.2 2,-0.1 -1,-0.1 0.531 93.7-131.9 -77.4 -8.8 30.6 40.6 43.4 27 27 A G < + 0 0 23 -4,-4.1 -3,-0.1 1,-0.2 -1,-0.1 0.429 53.2 151.8 72.1 -2.1 28.1 37.8 43.8 28 28 A E - 0 0 77 -5,-0.2 -5,-3.0 -6,-0.1 2,-0.6 -0.298 47.1-127.8 -65.5 140.9 27.3 37.9 40.1 29 29 A V E +B 22 0A 58 -7,-0.2 46,-0.7 -3,-0.1 2,-0.2 -0.839 43.4 163.9 -89.9 122.6 26.0 34.7 38.4 30 30 A V E -BC 21 74A 0 -9,-2.7 -9,-3.1 -2,-0.6 2,-0.5 -0.796 40.8-109.7-132.7 177.5 28.1 34.1 35.3 31 31 A A E -BC 20 73A 14 42,-3.1 42,-3.1 -2,-0.2 2,-0.5 -0.964 29.1-158.2-116.2 116.4 29.1 31.4 32.8 32 32 A L E -BC 19 72A 4 -13,-3.3 -13,-3.0 -2,-0.5 2,-0.6 -0.851 3.5-165.0 -98.9 122.4 32.6 30.1 33.1 33 33 A K E -BC 18 71A 7 38,-2.5 38,-2.3 -2,-0.5 2,-1.1 -0.937 9.1-152.6-110.5 114.7 34.1 28.5 30.0 34 34 A K E BC 17 70A 67 -17,-2.6 -17,-0.6 -2,-0.6 36,-0.2 -0.776 360.0 360.0 -86.8 98.9 37.3 26.5 30.7 35 35 A I 0 0 58 34,-2.9 -1,-0.2 -2,-1.1 35,-0.2 0.938 360.0 360.0 -71.8 360.0 39.1 26.7 27.3 36 ! 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 37 44 A V 0 0 46 0, 0.0 30,-0.1 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 165.6 48.0 29.2 25.5 38 45 A P > - 0 0 83 0, 0.0 4,-1.0 0, 0.0 3,-0.4 -0.203 360.0-134.6 -54.0 136.8 49.1 30.8 22.1 39 46 A S H > S+ 0 0 67 1,-0.2 4,-1.5 2,-0.2 5,-0.2 0.729 103.4 60.6 -64.9 -23.3 49.7 34.5 22.3 40 47 A T H > S+ 0 0 97 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.869 103.1 48.8 -72.9 -37.6 47.7 35.0 19.1 41 48 A A H > S+ 0 0 1 -3,-0.4 4,-2.0 1,-0.2 -1,-0.2 0.769 107.4 60.4 -71.0 -26.0 44.5 33.6 20.5 42 49 A I H X S+ 0 0 44 -4,-1.0 4,-0.9 2,-0.2 -2,-0.2 0.909 108.5 38.4 -68.2 -47.6 45.1 35.9 23.5 43 50 A R H X S+ 0 0 155 -4,-1.5 4,-2.0 1,-0.2 -2,-0.2 0.896 114.1 58.9 -70.6 -37.4 45.0 39.1 21.5 44 51 A E H X S+ 0 0 43 -4,-1.9 4,-0.5 1,-0.2 -2,-0.2 0.874 110.8 38.4 -58.7 -44.8 42.2 37.7 19.4 45 52 A I H X S+ 0 0 1 -4,-2.0 4,-0.5 2,-0.2 -1,-0.2 0.661 110.5 61.4 -83.3 -13.9 39.9 37.1 22.4 46 53 A S H >< S+ 0 0 41 -4,-0.9 3,-0.9 1,-0.2 4,-0.4 0.866 101.5 53.3 -74.4 -36.0 41.0 40.4 24.0 47 54 A L H >X S+ 0 0 105 -4,-2.0 3,-0.8 1,-0.2 4,-0.5 0.763 99.7 64.7 -67.0 -26.2 39.6 42.1 20.9 48 55 A L H 3< S+ 0 0 14 -4,-0.5 3,-0.5 1,-0.2 11,-0.3 0.744 87.1 68.1 -70.1 -24.6 36.4 40.3 21.6 49 56 A K T << S+ 0 0 67 -3,-0.9 -1,-0.2 -4,-0.5 -2,-0.2 0.770 99.0 51.4 -65.5 -26.7 35.8 42.1 24.9 50 57 A E T <4 S+ 0 0 146 -3,-0.8 2,-2.1 -4,-0.4 -1,-0.2 0.706 86.5 91.7 -81.8 -22.1 35.3 45.3 22.9 51 58 A L < + 0 0 18 -4,-0.5 2,-0.4 -3,-0.5 -1,-0.2 -0.451 59.4 163.0 -76.6 73.3 32.7 43.6 20.7 52 59 A N + 0 0 71 -2,-2.1 5,-0.1 6,-0.1 -3,-0.0 -0.810 5.7 145.4-102.9 132.7 29.6 44.6 22.7 53 60 A H > - 0 0 44 -2,-0.4 3,-2.2 3,-0.4 54,-0.0 -0.969 55.8-114.1-157.9 145.0 26.0 44.5 21.5 54 61 A P T 3 S+ 0 0 91 0, 0.0 4,-0.1 0, 0.0 53,-0.0 0.655 118.1 49.9 -59.6 -14.3 22.7 43.6 23.2 55 62 A N T 3 S+ 0 0 11 80,-0.1 81,-2.6 48,-0.1 2,-0.4 0.145 97.2 80.3-109.5 16.3 22.4 40.5 21.0 56 63 A I B < S-e 136 0B 9 -3,-2.2 -3,-0.4 79,-0.3 2,-0.4 -0.994 91.2-111.4-123.4 127.0 25.9 39.2 21.6 57 64 A V - 0 0 10 79,-2.6 81,-0.1 -2,-0.4 82,-0.1 -0.464 43.0-115.8 -59.2 116.9 26.6 37.3 24.8 58 65 A K - 0 0 91 -2,-0.4 16,-2.0 1,-0.1 2,-1.0 -0.328 14.6-143.5 -61.7 126.6 28.9 39.7 26.8 59 66 A L E -D 73 0A 12 -11,-0.3 14,-0.3 14,-0.2 3,-0.1 -0.854 21.4-178.0 -90.7 102.3 32.4 38.5 27.5 60 67 A L E - 0 0 39 12,-1.8 2,-0.3 -2,-1.0 -1,-0.2 0.944 57.7 -11.4 -69.0 -50.2 32.9 39.9 31.0 61 68 A D E -D 72 0A 90 11,-1.5 11,-3.5 2,-0.0 2,-0.4 -0.987 49.3-141.3-153.5 159.5 36.5 38.8 31.6 62 69 A V E -D 71 0A 37 -2,-0.3 2,-0.5 9,-0.2 9,-0.2 -0.986 18.4-168.3-122.9 131.3 39.4 36.6 30.3 63 70 A I E -D 70 0A 34 7,-3.1 7,-3.1 -2,-0.4 2,-0.5 -0.959 2.2-172.7-127.4 112.7 41.6 34.8 32.8 64 71 A H E +D 69 0A 80 -2,-0.5 2,-0.2 5,-0.2 5,-0.2 -0.910 15.0 157.4-107.2 130.7 44.8 33.2 31.7 65 72 A T E > -D 68 0A 54 3,-2.9 3,-1.4 -2,-0.5 -2,-0.0 -0.779 65.6 -30.5-157.7 110.5 46.8 31.1 34.2 66 73 A E T 3 S- 0 0 158 1,-0.3 3,-0.1 -2,-0.2 -2,-0.0 0.944 123.0 -40.2 43.0 76.0 49.3 28.3 33.3 67 74 A N T 3 S+ 0 0 141 1,-0.2 2,-0.5 -30,-0.1 -1,-0.3 0.284 118.2 115.5 65.0 -14.0 48.0 27.0 30.0 68 75 A K E < - D 0 65A 88 -3,-1.4 -3,-2.9 -33,-0.1 2,-0.5 -0.752 47.7-170.0 -89.0 126.8 44.6 27.3 31.5 69 76 A L E - D 0 64A 1 -2,-0.5 -34,-2.9 -5,-0.2 2,-0.4 -0.975 1.4-171.2-122.2 121.3 42.3 29.9 29.7 70 77 A Y E -CD 34 63A 24 -7,-3.1 -7,-3.1 -2,-0.5 2,-0.6 -0.940 8.1-160.9-116.2 132.0 39.0 30.9 31.3 71 78 A L E -CD 33 62A 0 -38,-2.3 -38,-2.5 -2,-0.4 2,-0.6 -0.945 9.4-153.2-111.9 118.7 36.3 33.0 29.6 72 79 A V E +CD 32 61A 1 -11,-3.5 -12,-1.8 -2,-0.6 -11,-1.5 -0.848 22.3 177.8 -94.7 119.2 33.8 34.7 31.9 73 80 A F E -CD 31 59A 24 -42,-3.1 -42,-3.1 -2,-0.6 -14,-0.2 -0.819 36.8 -96.2-119.3 160.7 30.5 35.3 30.2 74 81 A E E -C 30 0A 46 -16,-2.0 2,-0.4 -2,-0.3 -44,-0.2 -0.452 49.6-116.5 -69.5 147.6 27.1 36.7 31.2 75 82 A F - 0 0 39 -46,-0.7 2,-0.4 -2,-0.1 -1,-0.1 -0.754 29.2-173.3 -95.1 133.0 24.8 33.9 32.1 76 83 A L - 0 0 15 -2,-0.4 53,-0.1 53,-0.1 52,-0.0 -0.955 25.1-131.5-121.1 143.7 21.6 33.1 30.1 77 84 A H S S+ 0 0 100 -2,-0.4 2,-0.3 51,-0.2 52,-0.1 0.605 77.2 11.2 -74.1 -12.6 19.1 30.5 31.3 78 85 A Q E -F 128 0B 27 50,-1.0 50,-2.7 203,-0.1 2,-0.2 -0.994 60.9-129.9-162.6 155.4 18.5 28.5 28.2 79 86 A D E > -F 127 0B 43 -2,-0.3 4,-1.8 48,-0.2 48,-0.3 -0.691 32.1-112.5-104.9 164.8 19.7 27.8 24.6 80 87 A L H > S+ 0 0 0 46,-2.6 4,-2.4 43,-1.1 44,-0.2 0.795 112.5 61.1 -67.2 -29.2 17.6 27.8 21.4 81 88 A K H > S+ 0 0 90 42,-0.8 4,-1.9 45,-0.3 -1,-0.2 0.951 108.9 41.4 -62.1 -49.0 18.1 24.0 20.9 82 89 A K H > S+ 0 0 140 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.860 114.7 52.6 -66.6 -37.4 16.5 23.2 24.2 83 90 A F H X S+ 0 0 14 -4,-1.8 4,-1.4 2,-0.2 -1,-0.2 0.868 107.3 52.2 -67.4 -37.7 13.7 25.8 23.6 84 91 A M H < S+ 0 0 18 -4,-2.4 3,-0.3 2,-0.2 -2,-0.2 0.923 110.4 47.0 -65.5 -42.8 12.9 24.3 20.2 85 92 A D H >< S+ 0 0 116 -4,-1.9 3,-1.5 1,-0.2 4,-0.4 0.910 109.7 55.6 -63.8 -40.7 12.5 20.8 21.6 86 93 A A H 3< S+ 0 0 79 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.782 117.7 34.0 -61.2 -32.4 10.4 22.3 24.4 87 94 A S T 3X S+ 0 0 15 -4,-1.4 4,-2.7 -3,-0.3 -1,-0.3 0.035 87.8 110.1-113.4 27.4 8.1 23.8 21.8 88 95 A A T <4 S+ 0 0 41 -3,-1.5 -2,-0.1 2,-0.2 -1,-0.1 0.921 76.6 47.5 -68.0 -47.4 8.4 21.0 19.2 89 96 A L T 4 S+ 0 0 173 -4,-0.4 -1,-0.2 1,-0.2 -2,-0.1 0.870 128.5 25.7 -64.0 -36.1 4.9 19.6 19.5 90 97 A T T 4 S- 0 0 112 -4,-0.1 -2,-0.2 3,-0.0 -1,-0.2 0.689 106.9-130.0-101.6 -23.0 3.2 23.0 19.3 91 98 A G < - 0 0 12 -4,-2.7 -3,-0.1 -7,-0.2 89,-0.1 0.354 27.6 -77.8 81.7 141.4 5.9 24.9 17.4 92 99 A I - 0 0 13 87,-0.5 5,-0.1 1,-0.1 -8,-0.0 -0.613 58.8-105.3 -73.1 125.7 7.4 28.3 18.2 93 100 A P >> - 0 0 81 0, 0.0 4,-2.2 0, 0.0 3,-1.1 -0.187 24.0-119.8 -53.2 139.9 4.9 31.1 17.3 94 101 A L H 3> S+ 0 0 67 1,-0.3 4,-3.4 2,-0.2 5,-0.3 0.844 112.5 58.0 -51.6 -40.0 5.8 33.0 14.1 95 102 A P H 3> S+ 0 0 64 0, 0.0 4,-1.8 0, 0.0 178,-0.4 0.869 111.0 43.3 -62.0 -31.9 6.0 36.4 16.0 96 103 A L H <> S+ 0 0 7 -3,-1.1 4,-2.5 2,-0.2 -2,-0.2 0.835 114.0 50.2 -79.1 -34.4 8.7 34.8 18.3 97 104 A I H X S+ 0 0 6 -4,-2.2 4,-2.3 2,-0.2 5,-0.2 0.943 114.3 45.3 -65.7 -46.0 10.4 33.2 15.3 98 105 A K H X S+ 0 0 14 -4,-3.4 4,-2.2 2,-0.2 -2,-0.2 0.882 112.8 50.3 -64.2 -41.7 10.4 36.5 13.5 99 106 A S H X S+ 0 0 2 -4,-1.8 4,-2.4 -5,-0.3 -1,-0.2 0.936 111.7 48.0 -62.9 -47.3 11.6 38.4 16.6 100 107 A Y H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.908 112.5 47.7 -61.2 -45.2 14.5 36.0 17.2 101 108 A L H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.901 111.3 52.1 -63.8 -40.2 15.6 36.2 13.6 102 109 A F H X S+ 0 0 51 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.923 111.7 45.4 -61.8 -47.2 15.4 39.9 13.6 103 110 A Q H X S+ 0 0 2 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.883 112.2 50.7 -64.4 -43.9 17.6 40.2 16.7 104 111 A L H X S+ 0 0 0 -4,-2.4 4,-2.9 1,-0.2 -1,-0.2 0.884 109.4 52.0 -62.8 -37.7 20.1 37.7 15.5 105 112 A L H X S+ 0 0 0 -4,-2.2 4,-2.9 2,-0.2 -1,-0.2 0.862 108.5 50.8 -66.9 -36.6 20.4 39.7 12.2 106 113 A Q H X S+ 0 0 70 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.944 112.6 46.5 -65.3 -44.3 21.0 42.9 14.2 107 114 A G H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.919 114.7 46.3 -61.8 -46.5 23.7 41.1 16.2 108 115 A L H X S+ 0 0 0 -4,-2.9 4,-3.4 1,-0.2 5,-0.3 0.929 109.1 55.1 -61.5 -46.7 25.3 39.7 13.0 109 116 A A H X S+ 0 0 18 -4,-2.9 4,-1.7 1,-0.2 -1,-0.2 0.897 109.5 49.1 -54.3 -40.9 25.0 43.0 11.2 110 117 A F H X S+ 0 0 45 -4,-2.1 4,-0.7 2,-0.2 -2,-0.2 0.948 114.7 42.2 -64.5 -51.7 27.0 44.5 14.2 111 118 A C H ><>S+ 0 0 0 -4,-2.3 5,-2.2 1,-0.2 3,-1.2 0.920 113.8 51.4 -61.6 -47.1 29.7 41.9 14.1 112 119 A H H ><5S+ 0 0 26 -4,-3.4 3,-1.7 1,-0.3 -1,-0.2 0.846 102.8 60.0 -61.1 -32.3 30.0 41.8 10.3 113 120 A S H 3<5S+ 0 0 73 -4,-1.7 -1,-0.3 -5,-0.3 -2,-0.2 0.743 106.8 48.2 -67.3 -21.7 30.4 45.6 10.4 114 121 A H T <<5S- 0 0 96 -3,-1.2 -1,-0.3 -4,-0.7 -2,-0.2 0.068 120.3-109.6-104.8 23.6 33.5 45.0 12.5 115 122 A R T < 5S+ 0 0 194 -3,-1.7 2,-0.5 1,-0.2 -3,-0.2 0.813 75.2 137.2 51.3 37.1 34.9 42.4 10.2 116 123 A V < - 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