==== 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 27-APR-11 3RPO . 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) . 14975.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 186 63.3 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 . 23 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 76 25.9 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 3 1 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 65 0, 0.0 3,-0.5 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 115.9 78.2 94.1 25.0 2 2 A E + 0 0 161 1,-0.2 22,-0.0 3,-0.1 0, 0.0 0.974 360.0 24.4 -55.1 -64.5 79.7 96.5 22.5 3 3 A N S S+ 0 0 73 20,-0.1 21,-1.9 1,-0.1 22,-0.4 0.285 121.1 69.0 -87.2 10.6 77.4 95.9 19.6 4 4 A F E -A 23 0A 22 -3,-0.5 2,-0.6 19,-0.2 19,-0.2 -0.982 64.0-152.4-136.8 127.2 74.5 94.7 21.8 5 5 A Q E -A 22 0A 95 17,-2.1 17,-1.9 -2,-0.4 2,-0.4 -0.854 31.7-124.4 -95.0 120.8 72.3 96.5 24.3 6 6 A K E +A 21 0A 89 -2,-0.6 15,-0.2 15,-0.2 3,-0.1 -0.513 30.8 178.6 -67.2 121.2 71.2 94.0 27.0 7 7 A V E - 0 0 48 13,-2.7 2,-0.3 -2,-0.4 14,-0.2 0.900 60.6 -27.5 -88.2 -49.8 67.4 94.0 27.1 8 8 A E E -A 20 0A 127 12,-1.5 12,-2.9 3,-0.0 2,-0.7 -0.989 59.9 -98.3-162.1 162.7 66.9 91.3 29.8 9 9 A K E -A 19 0A 125 -2,-0.3 10,-0.3 10,-0.2 3,-0.1 -0.808 29.7-172.3 -89.2 116.9 68.3 88.2 31.4 10 10 A I E - 0 0 73 8,-2.3 2,-0.3 -2,-0.7 9,-0.2 0.804 54.7 -76.1 -78.6 -32.2 66.6 85.3 29.8 11 11 A G E -A 18 0A 26 7,-1.4 7,-2.5 -3,-0.1 2,-0.7 -0.977 47.4 -67.6 161.8-172.6 68.1 82.8 32.2 12 12 A E E -A 17 0A 90 -2,-0.3 5,-0.2 5,-0.2 145,-0.1 -0.896 53.5-159.6-115.2 98.5 71.1 80.8 33.3 13 13 A G - 0 0 23 3,-2.0 144,-0.2 -2,-0.7 143,-0.2 0.178 34.6 -93.5 -65.7-172.4 71.8 78.2 30.6 14 14 A T S S+ 0 0 15 1,-0.1 3,-0.1 141,-0.1 140,-0.1 0.849 126.3 27.1 -73.3 -34.7 73.8 75.0 30.8 15 15 A Y S S- 0 0 25 1,-0.3 21,-1.1 141,-0.1 2,-0.3 0.747 130.3 -45.0 -98.9 -31.6 76.9 76.8 29.7 16 16 A G S S- 0 0 7 19,-0.2 -3,-2.0 20,-0.1 -1,-0.3 -0.983 77.3 -38.1-178.9-173.3 76.3 80.3 30.8 17 17 A V E -A 12 0A 19 17,-0.3 17,-2.3 -2,-0.3 2,-0.5 -0.390 47.1-152.4 -71.1 144.2 74.0 83.3 31.1 18 18 A V E -AB 11 33A 18 -7,-2.5 -8,-2.3 15,-0.2 -7,-1.4 -0.980 11.9-171.0-121.9 129.7 71.7 84.1 28.3 19 19 A Y E -AB 9 32A 39 13,-2.8 13,-3.4 -2,-0.5 2,-0.5 -0.887 26.1-129.9-120.6 150.1 70.4 87.6 27.5 20 20 A K E +AB 8 31A 41 -12,-2.9 -13,-2.7 -2,-0.3 -12,-1.5 -0.836 47.1 173.7 -88.6 133.4 67.8 89.0 25.2 21 21 A A E -AB 6 30A 0 9,-2.6 9,-2.7 -2,-0.5 2,-0.5 -0.952 32.0-129.9-143.6 163.9 69.7 91.7 23.4 22 22 A R E -AB 5 29A 83 -17,-1.9 -17,-2.1 -2,-0.3 2,-0.6 -0.962 23.9-126.0-119.8 126.0 69.4 94.2 20.5 23 23 A N E > -A 4 0A 23 5,-3.1 4,-2.7 -2,-0.5 -19,-0.2 -0.584 18.5-150.2 -69.0 115.6 72.0 94.6 17.8 24 24 A K T 4 S+ 0 0 144 -21,-1.9 -1,-0.2 -2,-0.6 -20,-0.1 0.719 91.6 43.9 -60.9 -23.1 72.7 98.3 17.9 25 25 A L T 4 S+ 0 0 148 -22,-0.4 -1,-0.2 3,-0.1 -21,-0.1 0.871 128.4 21.4 -90.4 -44.3 73.5 98.4 14.2 26 26 A T T 4 S- 0 0 93 2,-0.1 -2,-0.2 0, 0.0 3,-0.1 0.704 91.6-133.1 -96.6 -26.3 70.8 96.4 12.6 27 27 A G < + 0 0 38 -4,-2.7 -3,-0.1 1,-0.3 2,-0.0 0.395 53.3 149.2 86.4 -4.2 68.2 96.7 15.4 28 28 A E - 0 0 84 -6,-0.1 -5,-3.1 -5,-0.1 2,-0.5 -0.345 45.1-132.2 -64.3 144.9 67.6 92.9 15.2 29 29 A V E +B 22 0A 57 -7,-0.2 50,-0.7 -3,-0.1 -7,-0.2 -0.886 38.2 163.0-101.4 128.8 66.6 91.4 18.6 30 30 A V E -BC 21 78A 1 -9,-2.7 -9,-2.6 -2,-0.5 2,-0.5 -0.757 42.4-105.3-136.8 178.8 68.5 88.2 19.4 31 31 A A E -BC 20 77A 13 46,-2.4 46,-2.7 -11,-0.2 2,-0.6 -0.964 34.3-159.6-111.1 125.4 69.4 85.8 22.2 32 32 A L E -BC 19 76A 2 -13,-3.4 -13,-2.8 -2,-0.5 2,-0.5 -0.936 4.0-164.7-112.4 120.3 73.0 86.2 23.3 33 33 A K E -BC 18 75A 23 42,-2.8 42,-2.1 -2,-0.6 2,-0.8 -0.916 9.0-155.8-110.4 123.8 74.8 83.4 25.1 34 34 A K E - C 0 74A 52 -17,-2.3 2,-0.3 -2,-0.5 -17,-0.3 -0.850 21.4-153.5 -94.8 109.9 78.0 83.9 27.0 35 35 A I E C 0 73A 20 38,-2.8 38,-0.7 -2,-0.8 -19,-0.2 -0.665 360.0 360.0 -91.6 142.5 79.7 80.5 27.2 36 36 A R 0 0 172 -21,-1.1 5,-0.1 -2,-0.3 -1,-0.1 0.979 360.0 360.0 -69.9 360.0 82.2 79.4 30.0 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 0 148 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -48.4 87.9 78.5 31.0 39 42 A E + 0 0 185 33,-0.0 33,-0.1 0, 0.0 32,-0.1 -0.750 360.0 12.3-151.4 98.7 91.0 80.1 29.5 40 43 A G S S- 0 0 46 31,-0.5 32,-0.1 -2,-0.2 31,-0.1 0.057 89.7-116.3 128.4 -28.4 91.8 79.8 25.7 41 44 A V - 0 0 26 -5,-0.1 5,-0.1 30,-0.1 31,-0.0 0.910 38.2 -94.6 59.3 102.9 88.5 78.5 24.2 42 45 A P > - 0 0 82 0, 0.0 4,-1.3 0, 0.0 3,-0.1 -0.192 28.3-146.7 -47.8 124.2 89.1 75.1 22.6 43 46 A S H > S+ 0 0 66 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.822 97.3 58.0 -65.4 -32.4 89.8 75.6 18.9 44 47 A T H > S+ 0 0 94 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.902 103.9 51.8 -64.5 -40.6 88.1 72.3 18.0 45 48 A A H > S+ 0 0 3 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.852 106.8 56.1 -63.6 -34.2 84.9 73.6 19.5 46 49 A I H X S+ 0 0 28 -4,-1.3 4,-2.6 2,-0.2 -2,-0.2 0.943 109.8 42.4 -63.1 -50.2 85.2 76.8 17.4 47 50 A R H X S+ 0 0 148 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.927 117.8 47.4 -63.1 -44.9 85.4 74.9 14.1 48 51 A E H X S+ 0 0 73 -4,-2.4 4,-0.8 2,-0.2 -2,-0.2 0.921 114.3 44.7 -63.5 -47.5 82.6 72.6 15.2 49 52 A I H >< S+ 0 0 0 -4,-3.0 3,-1.1 1,-0.2 4,-0.4 0.918 110.1 57.4 -64.4 -40.8 80.3 75.3 16.4 50 53 A S H >< S+ 0 0 44 -4,-2.6 3,-1.5 -5,-0.3 -1,-0.2 0.850 98.8 59.2 -57.7 -36.7 81.1 77.4 13.3 51 54 A L H >< S+ 0 0 99 -4,-1.7 3,-1.7 1,-0.3 -1,-0.3 0.788 92.6 68.5 -63.8 -26.8 79.8 74.6 11.1 52 55 A L G X< S+ 0 0 22 -3,-1.1 3,-1.1 -4,-0.8 11,-0.4 0.644 78.6 79.3 -67.9 -14.2 76.4 74.9 12.8 53 56 A K G < S+ 0 0 67 -3,-1.5 -1,-0.3 -4,-0.4 -2,-0.2 0.699 94.8 49.1 -65.9 -16.3 75.9 78.3 11.2 54 57 A E G < S+ 0 0 120 -3,-1.7 2,-1.9 -4,-0.2 -1,-0.2 0.497 81.9 96.8 -99.9 -5.5 75.0 76.3 8.0 55 58 A L < + 0 0 19 -3,-1.1 2,-0.5 -4,-0.2 8,-0.2 -0.525 58.3 165.8 -84.3 73.3 72.5 74.0 9.7 56 59 A N + 0 0 76 -2,-1.9 5,-0.1 6,-0.1 -3,-0.0 -0.794 5.8 142.1-100.9 127.3 69.5 76.1 8.7 57 60 A H > - 0 0 40 -2,-0.5 3,-2.2 3,-0.4 54,-0.0 -0.977 57.2-112.4-157.3 146.7 65.9 74.8 8.9 58 61 A P T 3 S+ 0 0 92 0, 0.0 4,-0.1 0, 0.0 53,-0.1 0.713 118.0 47.6 -56.8 -20.9 62.6 76.4 9.9 59 62 A N T 3 S+ 0 0 9 80,-0.1 81,-2.5 2,-0.1 2,-0.4 0.137 98.2 81.8-108.1 22.9 62.4 74.2 13.0 60 63 A I B < S-e 140 0B 8 -3,-2.2 -3,-0.4 79,-0.3 2,-0.3 -0.994 87.4-115.5-126.0 126.7 65.9 74.9 14.2 61 64 A V - 0 0 9 79,-2.4 2,-0.2 -2,-0.4 81,-0.2 -0.457 43.4-116.6 -60.4 121.2 66.8 78.0 16.1 62 65 A K - 0 0 97 -2,-0.3 16,-2.2 -4,-0.1 2,-0.8 -0.406 13.0-139.8 -71.5 132.5 69.1 79.8 13.8 63 66 A L E -D 77 0A 10 -11,-0.4 14,-0.2 14,-0.2 3,-0.1 -0.817 22.7-179.1 -88.2 110.1 72.7 80.4 14.9 64 67 A L E - 0 0 35 12,-2.4 2,-0.3 -2,-0.8 13,-0.2 0.849 59.5 -6.7 -80.6 -38.3 73.4 83.9 13.6 65 68 A D E -D 76 0A 87 11,-1.6 11,-2.9 2,-0.0 2,-0.6 -0.992 44.3-148.2-161.0 152.6 77.0 84.2 14.8 66 69 A V E -D 75 0A 24 -2,-0.3 2,-0.7 9,-0.2 9,-0.2 -0.957 26.3-162.2-122.1 104.4 79.8 82.7 16.7 67 70 A I E +D 74 0A 47 7,-2.4 7,-2.2 -2,-0.6 2,-0.7 -0.830 15.8 177.2 -98.7 115.7 81.9 85.4 18.2 68 71 A H E +D 73 0A 81 -2,-0.7 2,-0.3 5,-0.2 5,-0.2 -0.877 32.0 135.8-114.3 89.2 85.3 84.5 19.3 69 72 A T E > +D 72 0A 80 3,-1.1 3,-2.0 -2,-0.7 -2,-0.0 -0.945 62.8 13.3-135.1 155.6 86.7 87.8 20.5 70 73 A E T 3 S- 0 0 149 -2,-0.3 3,-0.1 1,-0.3 -1,-0.1 0.739 125.4 -73.3 48.6 25.5 88.7 88.9 23.5 71 74 A N T 3 S+ 0 0 105 1,-0.2 -31,-0.5 -31,-0.1 2,-0.3 0.867 109.5 113.1 57.2 41.3 89.2 85.1 24.1 72 75 A K E < - D 0 69A 108 -3,-2.0 -3,-1.1 -32,-0.1 2,-0.5 -0.933 63.7-124.7-134.3 154.7 85.6 84.7 25.2 73 76 A L E +CD 35 68A 9 -38,-0.7 -38,-2.8 -2,-0.3 2,-0.4 -0.918 27.5 173.8-113.9 123.3 82.8 82.7 23.4 74 77 A Y E -CD 34 67A 50 -7,-2.2 -7,-2.4 -2,-0.5 2,-0.5 -0.961 13.4-159.6-123.0 138.4 79.5 84.3 22.5 75 78 A L E -CD 33 66A 0 -42,-2.1 -42,-2.8 -2,-0.4 2,-0.6 -0.974 6.5-155.3-119.0 132.3 76.7 82.6 20.5 76 79 A V E +CD 32 65A 4 -11,-2.9 -12,-2.4 -2,-0.5 -11,-1.6 -0.946 18.6 179.3-111.8 122.9 74.1 84.8 18.8 77 80 A F E -CD 31 63A 15 -46,-2.7 -46,-2.4 -2,-0.6 -14,-0.2 -0.842 37.0 -95.5-120.8 156.4 70.8 83.1 18.1 78 81 A E E -C 30 0A 47 -16,-2.2 2,-0.4 -2,-0.3 -48,-0.2 -0.365 51.0-118.6 -63.7 151.0 67.5 84.1 16.6 79 82 A F - 0 0 42 -50,-0.7 2,-0.4 -49,-0.1 -50,-0.1 -0.799 29.7-177.1-100.2 137.6 65.1 85.1 19.4 80 83 A L - 0 0 14 -2,-0.4 53,-0.1 53,-0.1 52,-0.0 -0.972 28.3-128.4-127.2 146.1 61.8 83.4 20.3 81 84 A H S S+ 0 0 103 -2,-0.4 2,-0.3 51,-0.2 52,-0.1 0.647 78.7 16.4 -72.8 -19.3 59.5 84.7 23.0 82 85 A Q E -F 132 0B 43 50,-1.2 50,-2.7 211,-0.0 2,-0.3 -0.996 60.9-133.2-153.4 158.0 58.9 81.5 25.1 83 86 A D E > -F 131 0B 16 -2,-0.3 4,-1.9 48,-0.2 48,-0.2 -0.739 31.3-113.5-108.3 161.1 60.0 78.0 25.8 84 87 A L H > S+ 0 0 0 46,-2.7 4,-3.0 43,-1.0 5,-0.2 0.779 111.6 61.0 -64.9 -28.7 57.9 74.9 26.0 85 88 A K H > S+ 0 0 86 42,-0.8 4,-2.6 45,-0.3 -1,-0.2 0.974 108.8 42.3 -63.4 -51.3 58.6 74.3 29.7 86 89 A K H > S+ 0 0 106 1,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.907 115.0 51.9 -60.3 -39.9 57.0 77.7 30.6 87 90 A F H X S+ 0 0 9 -4,-1.9 4,-1.2 2,-0.2 -1,-0.2 0.901 110.2 47.9 -64.4 -42.2 54.2 77.0 28.1 88 91 A M H < S+ 0 0 17 -4,-3.0 4,-0.4 2,-0.2 3,-0.3 0.920 111.4 50.1 -65.9 -42.1 53.5 73.6 29.6 89 92 A D H >< S+ 0 0 101 -4,-2.6 3,-1.3 1,-0.2 4,-0.3 0.950 112.3 48.0 -59.3 -47.1 53.5 75.1 33.1 90 93 A A H 3< S+ 0 0 81 -4,-2.7 -1,-0.2 1,-0.3 3,-0.2 0.716 115.3 45.4 -65.5 -21.3 51.1 77.7 32.0 91 94 A S T 3X S+ 0 0 18 -4,-1.2 4,-3.6 -3,-0.3 3,-0.5 0.315 82.0 107.2-103.7 5.6 48.9 75.1 30.3 92 95 A A T <4 S+ 0 0 44 -3,-1.3 -1,-0.2 -4,-0.4 -2,-0.1 0.793 73.7 53.8 -54.5 -36.8 49.0 72.7 33.3 93 96 A L T 4 S+ 0 0 165 -4,-0.3 -1,-0.2 -3,-0.2 -2,-0.1 0.868 129.1 13.9 -71.6 -36.5 45.4 73.3 34.4 94 97 A T T 4 S- 0 0 119 -3,-0.5 -2,-0.2 3,-0.0 -1,-0.1 0.598 104.8-129.3-112.0 -18.9 43.7 72.6 31.1 95 98 A G < - 0 0 10 -4,-3.6 -3,-0.1 -7,-0.2 99,-0.1 0.221 33.0 -68.1 82.1 151.4 46.5 70.9 29.2 96 99 A I - 0 0 11 97,-0.5 5,-0.1 1,-0.1 -8,-0.0 -0.620 62.8-107.2 -73.6 126.8 47.8 71.6 25.7 97 100 A P >> - 0 0 79 0, 0.0 4,-2.2 0, 0.0 3,-1.0 -0.231 25.2-117.3 -56.0 145.1 45.1 70.7 23.2 98 101 A L H 3> S+ 0 0 66 1,-0.3 4,-3.1 2,-0.2 5,-0.3 0.864 112.2 57.8 -52.8 -43.0 45.9 67.5 21.2 99 102 A P H 3> S+ 0 0 68 0, 0.0 4,-1.9 0, 0.0 188,-0.4 0.869 111.0 43.8 -58.1 -33.6 46.0 69.3 17.8 100 103 A L H <> S+ 0 0 5 -3,-1.0 4,-2.6 2,-0.2 5,-0.2 0.874 111.4 52.4 -78.7 -36.5 48.7 71.6 19.1 101 104 A I H X S+ 0 0 5 -4,-2.2 4,-2.7 1,-0.2 5,-0.2 0.947 112.9 46.8 -61.2 -44.9 50.6 68.7 20.8 102 105 A K H X S+ 0 0 11 -4,-3.1 4,-2.6 1,-0.2 -2,-0.2 0.902 111.2 50.2 -64.1 -43.2 50.5 66.9 17.4 103 106 A S H X S+ 0 0 4 -4,-1.9 4,-2.4 -5,-0.3 -1,-0.2 0.926 112.9 46.7 -61.7 -43.6 51.6 70.0 15.4 104 107 A Y H X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.929 112.7 48.3 -65.7 -45.1 54.5 70.6 17.8 105 108 A L H X S+ 0 0 0 -4,-2.7 4,-2.3 -5,-0.2 -1,-0.2 0.916 111.9 50.9 -60.3 -42.1 55.6 66.9 17.7 106 109 A F H X S+ 0 0 55 -4,-2.6 4,-1.6 2,-0.2 -2,-0.2 0.908 113.3 44.8 -61.0 -44.8 55.4 66.9 13.9 107 110 A Q H X S+ 0 0 13 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.894 111.4 52.3 -68.4 -40.8 57.5 70.1 13.6 108 111 A L H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.900 109.1 50.7 -62.9 -39.3 60.0 68.8 16.1 109 112 A L H X S+ 0 0 0 -4,-2.3 4,-2.9 2,-0.2 -1,-0.2 0.843 107.3 53.3 -67.4 -34.9 60.4 65.6 14.1 110 113 A Q H X S+ 0 0 61 -4,-1.6 4,-2.3 2,-0.2 -1,-0.2 0.929 110.0 49.2 -64.0 -41.6 61.0 67.6 11.0 111 114 A G H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.926 113.2 45.0 -61.3 -47.5 63.7 69.4 12.8 112 115 A L H X S+ 0 0 0 -4,-2.5 4,-3.2 1,-0.2 5,-0.3 0.928 109.9 55.5 -63.6 -43.7 65.3 66.2 14.0 113 116 A A H X S+ 0 0 26 -4,-2.9 4,-1.8 1,-0.2 -2,-0.2 0.913 110.5 47.0 -55.1 -43.2 65.0 64.6 10.5 114 117 A F H X S+ 0 0 42 -4,-2.3 4,-1.0 2,-0.2 -2,-0.2 0.969 115.7 41.8 -63.6 -54.3 66.9 67.6 9.1 115 118 A C H ><>S+ 0 0 0 -4,-2.4 5,-2.1 1,-0.2 3,-1.2 0.942 114.2 52.5 -60.4 -46.3 69.7 67.6 11.6 116 119 A H H ><5S+ 0 0 29 -4,-3.2 3,-1.7 1,-0.3 -1,-0.2 0.847 104.0 56.0 -59.5 -36.0 70.0 63.9 11.7 117 120 A S H 3<5S+ 0 0 85 -4,-1.8 -1,-0.3 -5,-0.3 -2,-0.2 0.744 109.0 48.6 -68.7 -21.1 70.4 63.7 7.9 118 121 A H T <<5S- 0 0 106 -3,-1.2 -1,-0.3 -4,-1.0 -2,-0.2 0.194 122.2-110.4 -99.7 12.5 73.3 66.1 8.2 119 122 A R T < 5S+ 0 0 231 -3,-1.7 2,-0.5 1,-0.2 -3,-0.2 0.832 73.3 135.5 63.4 37.0 74.8 63.9 10.9 120 123 A V < - 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