==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-SEP-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/ANTIBIOTIC 20-APR-12 4ERW . COMPND 2 MOLECULE: CYCLIN-DEPENDENT KINASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR R.ALAM,M.P.MARTIN,J.-Y.ZHU,E.SCHONBRUNN . 293 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15048.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 180 61.4 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 . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 72 24.6 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 0 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 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 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 57 0, 0.0 3,-0.8 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 165.5 13.4 -6.1 40.4 2 2 A E T 3 + 0 0 158 1,-0.2 3,-0.1 3,-0.1 0, 0.0 0.223 360.0 79.8 -90.4 12.5 12.2 -4.8 43.8 3 3 A N T 3 S+ 0 0 101 1,-0.2 21,-3.3 20,-0.1 22,-0.4 0.732 99.4 42.6 -81.1 -25.3 10.8 -1.7 42.2 4 4 A F E < -A 23 0A 21 -3,-0.8 2,-0.6 19,-0.3 19,-0.2 -0.944 69.2-146.8-128.8 140.8 7.8 -3.9 41.2 5 5 A Q E -A 22 0A 83 17,-2.1 17,-1.7 -2,-0.4 2,-0.1 -0.938 29.6-125.2-104.7 118.7 5.6 -6.5 42.8 6 6 A K E +A 21 0A 102 -2,-0.6 15,-0.2 15,-0.2 3,-0.1 -0.414 29.2 177.1 -61.9 129.4 4.4 -9.2 40.5 7 7 A V E - 0 0 56 13,-3.1 2,-0.3 1,-0.4 14,-0.2 0.847 62.2 -34.9 -93.4 -61.3 0.6 -9.6 40.5 8 8 A E E -A 20 0A 107 12,-1.0 12,-2.9 0, 0.0 2,-0.5 -0.980 57.7 -99.6-155.2 160.1 0.2 -12.3 37.8 9 9 A K E +A 19 0A 150 -2,-0.3 10,-0.3 10,-0.2 3,-0.1 -0.767 36.6 178.7 -78.8 127.0 1.6 -13.4 34.5 10 10 A I E - 0 0 77 8,-2.5 2,-0.3 -2,-0.5 9,-0.2 0.576 56.7 -17.5-109.6 -10.8 -0.7 -12.0 31.8 11 11 A G E -A 18 0A 34 7,-1.6 7,-3.1 2,-0.0 2,-0.5 -0.970 48.0-120.9-177.2 164.0 1.0 -13.3 28.7 12 12 A E E -A 17 0A 110 -2,-0.3 5,-0.3 5,-0.2 21,-0.0 -0.952 42.7-162.3-118.5 107.2 4.1 -14.7 27.0 13 13 A G - 0 0 12 3,-2.4 141,-0.1 -2,-0.5 5,-0.0 0.177 33.9 -93.4 -77.5-165.3 5.0 -12.2 24.2 14 14 A T S S+ 0 0 40 1,-0.1 142,-0.1 140,-0.0 3,-0.1 0.473 124.8 28.6 -92.5 -5.8 7.2 -12.4 21.1 15 15 A Y S S- 0 0 34 1,-0.4 140,-0.4 139,-0.1 21,-0.3 0.602 131.2 -38.4-119.7 -31.2 10.2 -11.1 22.9 16 16 A G S S- 0 0 7 19,-0.1 -3,-2.4 138,-0.1 -1,-0.4 -0.908 76.8 -48.8-170.1-162.9 9.6 -12.2 26.5 17 17 A V E -AB 12 34A 42 17,-1.1 17,-2.8 -5,-0.3 2,-0.4 -0.666 44.0-145.2 -93.6 143.7 7.1 -12.8 29.3 18 18 A V E -AB 11 33A 29 -7,-3.1 -8,-2.5 -2,-0.3 -7,-1.6 -0.929 16.4-173.6-114.4 133.3 4.6 -10.1 30.4 19 19 A Y E -AB 9 32A 27 13,-2.6 13,-3.5 -2,-0.4 2,-0.5 -0.904 28.3-126.4-121.8 147.5 3.4 -9.5 34.0 20 20 A K E +AB 8 31A 53 -12,-2.9 -13,-3.1 -2,-0.3 -12,-1.0 -0.825 48.2 170.1 -81.9 131.1 0.8 -7.3 35.6 21 21 A A E -AB 6 30A 0 9,-2.9 9,-3.1 -2,-0.5 2,-0.4 -0.951 31.5-136.3-140.6 158.9 2.8 -5.5 38.3 22 22 A R E -AB 5 29A 96 -17,-1.7 -17,-2.1 -2,-0.3 2,-0.5 -0.982 32.3-110.7-119.9 134.0 2.5 -2.6 40.8 23 23 A N E > -A 4 0A 32 5,-2.9 4,-2.9 -2,-0.4 -19,-0.3 -0.434 27.7-140.5 -55.4 109.9 5.2 0.0 41.4 24 24 A K T 4 S+ 0 0 112 -21,-3.3 -1,-0.2 -2,-0.5 -20,-0.1 0.498 97.0 31.4 -58.7 -4.2 6.3 -1.0 44.9 25 25 A L T 4 S+ 0 0 161 -22,-0.4 -1,-0.2 3,-0.1 -21,-0.1 0.723 126.7 33.1-117.7 -57.2 6.5 2.7 45.8 26 26 A T T 4 S- 0 0 93 2,-0.1 -2,-0.2 1,-0.1 3,-0.1 0.737 91.8-131.9 -79.7 -24.0 3.9 4.7 43.8 27 27 A G < + 0 0 45 -4,-2.9 -3,-0.1 1,-0.3 -1,-0.1 0.380 52.6 152.9 86.2 -5.4 1.3 1.9 43.8 28 28 A E - 0 0 91 -5,-0.1 -5,-2.9 -6,-0.1 2,-0.5 -0.286 42.0-134.6 -54.4 136.0 0.8 2.4 40.1 29 29 A V E +B 22 0A 56 -7,-0.2 49,-0.6 -3,-0.1 -7,-0.2 -0.899 37.1 161.9-102.4 123.9 -0.4 -0.8 38.3 30 30 A V E -BC 21 77A 1 -9,-3.1 -9,-2.9 -2,-0.5 2,-0.5 -0.788 42.3-109.1-132.2 170.2 1.5 -1.4 35.0 31 31 A A E -BC 20 76A 13 45,-2.6 45,-3.1 -2,-0.2 2,-0.5 -0.927 34.1-158.6-102.6 133.4 2.2 -4.2 32.5 32 32 A L E -BC 19 75A 3 -13,-3.5 -13,-2.6 -2,-0.5 2,-0.5 -0.945 5.6-162.0-120.3 113.2 5.9 -5.3 32.7 33 33 A K E -BC 18 74A 5 41,-2.8 41,-2.3 -2,-0.5 2,-0.5 -0.822 9.4-157.8 -92.8 130.8 7.6 -7.1 29.8 34 34 A K E -BC 17 73A 21 -17,-2.8 -17,-1.1 -2,-0.5 2,-0.5 -0.940 11.7-179.8-112.9 120.6 10.8 -9.0 30.7 35 35 A I E - C 0 72A 4 37,-2.5 37,-2.9 -2,-0.5 2,-0.4 -0.979 20.5-142.2-120.0 120.1 13.4 -9.8 28.0 36 36 A R E C 0 71A 162 -2,-0.5 35,-0.2 -21,-0.3 119,-0.1 -0.674 360.0 360.0 -79.7 129.1 16.5 -11.7 28.9 37 37 A L 0 0 117 33,-2.3 -2,-0.1 -2,-0.4 33,-0.0 -0.543 360.0 360.0 74.6 360.0 19.6 -10.3 27.0 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 0 116 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 157.3 25.2 -5.6 25.2 40 44 A V - 0 0 24 27,-0.0 5,-0.2 3,-0.0 27,-0.0 -0.984 360.0 -92.4-119.9 132.1 21.8 -4.4 24.0 41 45 A P > - 0 0 50 0, 0.0 4,-3.7 0, 0.0 3,-0.5 -0.103 23.0-148.7 -59.3 129.7 21.6 -3.7 20.3 42 46 A S H > S+ 0 0 63 1,-0.3 4,-1.5 2,-0.3 5,-0.3 0.913 105.5 57.9 -61.1 -43.8 22.2 -0.0 19.5 43 47 A T H > S+ 0 0 83 1,-0.2 4,-0.7 2,-0.2 -1,-0.3 0.924 119.4 32.3 -44.1 -48.4 19.9 -0.5 16.6 44 48 A A H > S+ 0 0 0 -3,-0.5 4,-2.1 2,-0.2 5,-0.3 0.873 108.8 63.7 -75.8 -41.6 17.4 -1.6 19.4 45 49 A I H X S+ 0 0 39 -4,-3.7 4,-1.1 1,-0.2 -3,-0.2 0.800 114.4 32.3 -64.7 -28.6 18.4 0.5 22.3 46 50 A R H < S+ 0 0 172 -4,-1.5 4,-0.4 -5,-0.3 -1,-0.2 0.596 113.9 56.5-107.8 -14.6 17.5 3.8 20.6 47 51 A E H X S+ 0 0 36 -4,-0.7 4,-1.1 -5,-0.3 -2,-0.2 0.708 113.0 46.1 -83.3 -22.7 14.6 2.6 18.4 48 52 A I H X S+ 0 0 6 -4,-2.1 4,-0.8 2,-0.2 3,-0.3 0.927 109.8 50.0 -79.4 -50.5 13.0 1.5 21.7 49 53 A S H < S+ 0 0 61 -4,-1.1 4,-0.3 -5,-0.3 3,-0.2 0.730 107.3 60.2 -59.4 -21.7 13.8 4.7 23.5 50 54 A L H >> S+ 0 0 76 -4,-0.4 3,-2.9 1,-0.2 4,-0.6 0.946 94.1 61.4 -62.1 -53.2 12.3 6.3 20.4 51 55 A L H 3< S+ 0 0 30 -4,-1.1 3,-0.5 -3,-0.3 11,-0.3 0.684 92.0 66.9 -53.0 -23.5 9.0 4.5 21.1 52 56 A K T 3< S+ 0 0 60 -4,-0.8 -1,-0.3 1,-0.2 -2,-0.2 0.756 97.6 53.5 -66.3 -27.2 8.7 6.3 24.5 53 57 A E T <4 S+ 0 0 171 -3,-2.9 2,-1.8 -4,-0.3 -1,-0.2 0.670 85.8 94.4 -80.0 -17.3 8.3 9.6 22.5 54 58 A L < + 0 0 8 -4,-0.6 2,-0.5 -3,-0.5 8,-0.2 -0.525 56.2 165.7 -81.2 78.9 5.4 8.0 20.6 55 59 A N + 0 0 83 -2,-1.8 5,-0.1 6,-0.1 -3,-0.0 -0.855 5.3 139.5-108.0 123.6 2.4 9.2 22.7 56 60 A H > - 0 0 41 -2,-0.5 3,-2.3 3,-0.5 54,-0.0 -0.980 59.3-112.9-159.6 143.1 -1.2 8.9 21.4 57 61 A P T 3 S+ 0 0 93 0, 0.0 4,-0.1 0, 0.0 -1,-0.0 0.736 118.9 47.4 -50.2 -28.2 -4.6 8.0 22.9 58 62 A N T 3 S+ 0 0 9 80,-0.1 81,-2.4 48,-0.1 2,-0.4 0.130 98.3 79.1-108.4 21.5 -4.6 4.9 20.7 59 63 A I B < S-e 139 0B 8 -3,-2.3 -3,-0.5 79,-0.3 81,-0.2 -0.996 89.0-112.2-126.6 126.0 -1.1 3.7 21.4 60 64 A V - 0 0 12 79,-2.4 2,-0.2 -2,-0.4 -2,-0.1 -0.355 42.5-113.3 -55.8 122.3 -0.3 1.8 24.6 61 65 A K - 0 0 48 -2,-0.1 16,-2.3 -4,-0.1 2,-0.9 -0.419 17.9-147.0 -68.8 123.9 1.9 4.2 26.6 62 66 A L E -D 76 0A 12 -11,-0.3 14,-0.3 -2,-0.2 3,-0.1 -0.832 20.9-178.9 -87.4 104.2 5.5 2.9 27.1 63 67 A L E - 0 0 41 12,-2.2 2,-0.3 -2,-0.9 13,-0.2 0.932 55.9 -2.9 -75.3 -48.1 6.2 4.4 30.5 64 68 A D E -D 75 0A 88 11,-1.5 11,-3.1 2,-0.0 2,-0.5 -0.990 47.5-149.9-150.6 153.4 9.8 3.2 31.1 65 69 A V E -D 74 0A 33 -2,-0.3 2,-0.6 9,-0.2 9,-0.2 -0.986 21.9-173.2-125.4 116.5 12.7 1.2 29.6 66 70 A I E -D 73 0A 51 7,-2.9 7,-2.9 -2,-0.5 2,-0.6 -0.920 10.4-169.7-124.2 108.5 15.0 -0.3 32.1 67 71 A H E +D 72 0A 104 -2,-0.6 2,-0.3 5,-0.2 5,-0.2 -0.861 30.6 145.1 -93.4 119.7 18.2 -2.1 31.2 68 72 A T E > -D 71 0A 58 3,-2.8 3,-2.4 -2,-0.6 -2,-0.1 -0.989 53.6 -7.3-157.7 143.2 19.6 -3.9 34.2 69 73 A E T 3 S- 0 0 161 -2,-0.3 3,-0.1 1,-0.3 -32,-0.1 0.796 126.7 -45.3 39.9 57.9 21.5 -7.1 35.2 70 74 A N T 3 S+ 0 0 113 1,-0.2 -33,-2.3 -34,-0.1 2,-0.3 0.703 123.1 96.8 60.6 22.8 21.5 -8.8 31.8 71 75 A K E < -CD 36 68A 53 -3,-2.4 -3,-2.8 -35,-0.2 2,-0.4 -0.965 60.5-146.8-137.8 155.9 17.8 -8.0 31.3 72 76 A L E -CD 35 67A 4 -37,-2.9 -37,-2.5 -2,-0.3 2,-0.4 -0.993 16.3-163.4-121.8 126.3 15.6 -5.4 29.6 73 77 A Y E -CD 34 66A 15 -7,-2.9 -7,-2.9 -2,-0.4 2,-0.5 -0.922 4.9-161.2-111.3 132.7 12.3 -4.4 31.1 74 78 A L E -CD 33 65A 17 -41,-2.3 -41,-2.8 -2,-0.4 2,-0.6 -0.955 8.8-157.5-112.5 123.0 9.6 -2.5 29.3 75 79 A V E +CD 32 64A 2 -11,-3.1 -12,-2.2 -2,-0.5 -11,-1.5 -0.902 17.4 178.8-107.6 120.5 7.0 -0.8 31.5 76 80 A F E -CD 31 62A 35 -45,-3.1 -45,-2.6 -2,-0.6 -14,-0.2 -0.827 36.7 -97.1-119.4 154.2 3.6 -0.1 29.9 77 81 A E E -C 30 0A 50 -16,-2.3 2,-0.4 -2,-0.3 -47,-0.2 -0.364 50.5-117.1 -57.3 147.9 0.3 1.4 31.0 78 82 A F - 0 0 65 -49,-0.6 2,-0.2 -48,-0.1 -1,-0.1 -0.814 30.9-167.1-100.6 132.1 -2.0 -1.4 31.9 79 83 A L - 0 0 12 -2,-0.4 53,-0.2 1,-0.1 3,-0.1 -0.659 27.4-115.1-113.4 176.2 -5.2 -2.1 30.0 80 84 A H S S- 0 0 68 51,-0.9 2,-0.3 1,-0.2 52,-0.2 0.862 78.8 -25.0 -80.5 -37.4 -8.3 -4.2 30.7 81 85 A Q E -F 131 0B 20 50,-1.3 50,-2.9 211,-0.0 -1,-0.2 -0.984 60.7-101.9-172.4 155.6 -8.3 -6.9 28.0 82 86 A D E > -F 130 0B 52 -2,-0.3 4,-1.6 48,-0.3 48,-0.3 -0.583 32.4-115.5 -93.3 163.1 -7.1 -7.7 24.5 83 87 A L H > S+ 0 0 0 46,-2.8 4,-2.4 43,-1.0 44,-0.2 0.814 111.7 60.2 -65.4 -33.4 -9.3 -7.6 21.4 84 88 A K H > S+ 0 0 58 42,-0.8 4,-2.4 45,-0.3 -1,-0.2 0.918 106.2 46.3 -61.9 -44.9 -8.9 -11.4 20.8 85 89 A K H > S+ 0 0 110 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.890 112.8 50.4 -64.4 -39.7 -10.5 -12.2 24.1 86 90 A F H X S+ 0 0 11 -4,-1.6 4,-0.9 2,-0.2 -2,-0.2 0.871 110.4 50.2 -67.0 -37.1 -13.3 -9.7 23.5 87 91 A M H < S+ 0 0 16 -4,-2.4 3,-0.3 2,-0.2 -2,-0.2 0.906 110.7 48.3 -66.4 -43.9 -13.9 -11.3 20.1 88 92 A D H >< S+ 0 0 98 -4,-2.4 3,-1.0 1,-0.2 -2,-0.2 0.887 113.1 48.2 -63.7 -39.4 -14.1 -14.8 21.5 89 93 A A H 3< S+ 0 0 82 -4,-2.2 -1,-0.2 1,-0.2 3,-0.2 0.674 114.0 47.5 -73.8 -17.9 -16.5 -13.6 24.2 90 94 A S T 3X S+ 0 0 19 -4,-0.9 4,-2.6 -3,-0.3 -1,-0.2 0.230 80.5 107.7-103.1 12.0 -18.6 -11.8 21.5 91 95 A A T <4 S+ 0 0 48 -3,-1.0 -1,-0.1 1,-0.2 -2,-0.1 0.770 72.2 54.4 -66.7 -29.7 -18.7 -14.8 19.2 92 96 A L T 4 S+ 0 0 165 -3,-0.2 -1,-0.2 -4,-0.2 -2,-0.1 0.940 127.2 16.0 -68.8 -50.4 -22.4 -15.7 19.7 93 97 A T T 4 S- 0 0 114 1,-0.1 -2,-0.2 -3,-0.1 -1,-0.1 0.607 105.4-124.7-103.3 -14.3 -23.9 -12.4 18.9 94 98 A G < - 0 0 8 -4,-2.6 -1,-0.1 -7,-0.2 -3,-0.1 0.095 36.3 -69.8 83.6 153.9 -21.0 -10.6 17.2 95 99 A I - 0 0 13 97,-0.6 5,-0.1 1,-0.1 -8,-0.0 -0.721 63.9-103.4 -76.4 130.4 -19.5 -7.3 18.1 96 100 A P >> - 0 0 80 0, 0.0 4,-2.1 0, 0.0 3,-1.5 -0.291 27.3-119.8 -59.1 137.4 -22.1 -4.6 17.3 97 101 A L H 3> S+ 0 0 65 1,-0.3 4,-3.1 2,-0.2 5,-0.2 0.819 111.2 56.4 -49.5 -43.0 -21.3 -2.6 14.1 98 102 A P H 3> S+ 0 0 68 0, 0.0 4,-1.8 0, 0.0 188,-0.4 0.832 110.8 45.7 -60.6 -30.4 -21.0 0.8 15.8 99 103 A L H <> S+ 0 0 7 -3,-1.5 4,-2.6 2,-0.2 -2,-0.2 0.870 111.8 50.6 -76.6 -41.9 -18.4 -0.7 18.1 100 104 A I H X S+ 0 0 6 -4,-2.1 4,-2.7 2,-0.2 5,-0.2 0.934 113.2 47.7 -55.0 -46.3 -16.5 -2.4 15.2 101 105 A K H X S+ 0 0 14 -4,-3.1 4,-2.4 1,-0.2 -2,-0.2 0.898 111.5 49.1 -65.8 -43.1 -16.6 1.0 13.4 102 106 A S H X S+ 0 0 3 -4,-1.8 4,-2.4 -5,-0.2 -1,-0.2 0.912 112.7 48.1 -61.0 -44.7 -15.4 2.9 16.5 103 107 A Y H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 5,-0.2 0.949 112.4 48.0 -63.0 -47.2 -12.5 0.5 17.0 104 108 A L H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.918 112.5 49.7 -59.8 -44.0 -11.5 0.6 13.3 105 109 A F H X S+ 0 0 46 -4,-2.4 4,-1.8 2,-0.2 -1,-0.2 0.915 111.6 47.7 -60.0 -48.9 -11.6 4.4 13.3 106 110 A Q H X S+ 0 0 4 -4,-2.4 4,-2.7 2,-0.2 -1,-0.2 0.896 111.8 50.0 -60.9 -42.3 -9.4 4.6 16.5 107 111 A L H X S+ 0 0 0 -4,-2.5 4,-3.1 2,-0.2 -2,-0.2 0.886 108.7 52.1 -65.8 -39.1 -6.9 2.1 15.2 108 112 A L H X S+ 0 0 0 -4,-2.3 4,-2.8 2,-0.2 -1,-0.2 0.845 109.4 51.1 -62.3 -35.8 -6.6 4.1 11.9 109 113 A Q H X S+ 0 0 70 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.951 110.9 47.9 -65.0 -48.5 -6.0 7.2 14.0 110 114 A G H X S+ 0 0 0 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.929 115.1 45.2 -53.2 -50.2 -3.3 5.3 15.9 111 115 A L H X S+ 0 0 0 -4,-3.1 4,-3.4 2,-0.2 5,-0.3 0.931 108.7 55.6 -61.7 -46.4 -1.7 4.1 12.7 112 116 A A H X S+ 0 0 20 -4,-2.8 4,-1.7 1,-0.2 -1,-0.2 0.886 110.8 47.4 -53.6 -40.8 -2.0 7.6 11.0 113 117 A F H X S+ 0 0 46 -4,-2.1 4,-1.0 2,-0.2 -2,-0.2 0.963 114.2 44.3 -66.0 -55.4 0.0 8.9 14.0 114 118 A C H ><>S+ 0 0 0 -4,-2.5 5,-2.5 1,-0.2 3,-1.0 0.943 115.4 48.8 -49.2 -54.2 2.7 6.2 13.9 115 119 A H H ><5S+ 0 0 23 -4,-3.4 3,-0.7 1,-0.3 -1,-0.2 0.808 107.7 52.6 -63.8 -34.3 3.1 6.4 10.2 116 120 A S H 3<5S+ 0 0 85 -4,-1.7 -1,-0.3 -5,-0.3 -2,-0.2 0.698 110.7 50.8 -73.3 -17.7 3.3 10.2 10.1 117 121 A H T <<5S- 0 0 97 -4,-1.0 -1,-0.2 -3,-1.0 -2,-0.2 0.498 121.9-109.3 -94.5 -6.7 6.1 9.7 12.6 118 122 A R T < 5S+ 0 0 216 -3,-0.7 2,-0.5 -4,-0.5 -3,-0.2 0.782 75.9 132.6 82.9 29.7 7.9 7.2 10.5 119 123 A V < - 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