==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 27-APR-11 3RPR . COMPND 2 MOLECULE: CYCLIN-DEPENDENT KINASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.BETZI,R.ALAM,H.HAN,A.BECKER,E.SCHONBRUNN . 282 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14685.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 179 63.5 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 . 38 13.5 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 . 16 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 76 27.0 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 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 . 0 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 96 0, 0.0 5,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 152.0 105.9 94.5 -48.5 2 2 A E + 0 0 163 1,-0.2 3,-0.0 3,-0.0 0, 0.0 0.882 360.0 21.3 -60.9 -41.5 107.8 95.7 -51.6 3 3 A N S S+ 0 0 83 21,-0.1 21,-2.2 20,-0.0 22,-0.4 0.502 126.7 35.2-110.3 -4.2 105.5 94.2 -54.2 4 4 A F E -A 23 0A 15 19,-0.2 2,-0.4 20,-0.1 19,-0.2 -0.862 61.3-137.9-140.6 171.9 102.2 93.6 -52.2 5 5 A Q E -A 22 0A 75 17,-1.3 17,-2.5 -2,-0.3 2,-0.3 -0.988 28.5-126.7-135.8 121.9 100.1 95.1 -49.5 6 6 A K E -A 21 0A 105 -2,-0.4 15,-0.3 15,-0.2 3,-0.1 -0.539 22.3-176.8 -73.3 133.1 98.6 92.8 -46.8 7 7 A V E - 0 0 64 13,-3.4 2,-0.3 1,-0.4 14,-0.2 0.832 63.7 -50.2 -92.3 -44.5 94.9 93.1 -46.4 8 8 A E E -A 20 0A 114 12,-1.6 12,-3.2 0, 0.0 -1,-0.4 -0.967 59.2 -79.1-179.5 169.1 94.7 90.6 -43.5 9 9 A K E -A 19 0A 131 -2,-0.3 10,-0.2 10,-0.2 3,-0.1 -0.704 29.9-171.5 -85.3 134.2 95.7 87.1 -42.3 10 10 A I E - 0 0 74 8,-2.9 2,-0.3 -2,-0.4 9,-0.2 0.815 55.3 -77.7 -92.0 -38.4 93.4 84.4 -43.7 11 11 A G E -A 18 0A 27 7,-1.5 7,-2.6 5,-0.0 2,-0.6 -0.986 54.0 -52.9 165.9-172.3 94.9 81.7 -41.6 12 12 A E E -A 17 0A 169 -2,-0.3 5,-0.2 5,-0.2 2,-0.1 -0.860 50.3-162.5 -98.5 119.0 97.6 79.2 -40.9 13 13 A G - 0 0 22 3,-2.3 3,-0.5 -2,-0.6 5,-0.0 -0.432 36.5 -97.3 -94.3 173.0 98.5 77.0 -43.8 14 14 A T S S+ 0 0 59 1,-0.2 3,-0.1 -2,-0.1 -1,-0.1 0.849 123.9 30.2 -55.5 -36.4 100.5 73.7 -43.8 15 15 A Y S S- 0 0 38 1,-0.3 21,-3.4 21,-0.1 2,-0.3 0.441 130.2 -50.4-107.2 -0.8 103.7 75.6 -44.8 16 16 A G S S- 0 0 19 -3,-0.5 -3,-2.3 19,-0.2 -1,-0.3 -0.928 83.1 -29.5 155.2-177.0 103.2 79.0 -43.2 17 17 A V E -A 12 0A 36 -2,-0.3 17,-2.4 -5,-0.2 2,-0.5 -0.346 48.9-148.1 -67.8 145.0 100.9 81.9 -42.8 18 18 A V E -AB 11 33A 16 -7,-2.6 -8,-2.9 15,-0.2 -7,-1.5 -0.972 17.5-169.2-116.2 124.2 98.5 82.7 -45.7 19 19 A Y E -AB 9 32A 38 13,-3.3 13,-3.0 -2,-0.5 2,-0.6 -0.832 27.1-127.7-114.6 153.9 97.5 86.4 -46.2 20 20 A K E +AB 8 31A 52 -12,-3.2 -13,-3.4 -2,-0.3 -12,-1.6 -0.875 49.0 172.7 -91.9 124.3 94.9 88.1 -48.3 21 21 A A E -AB 6 30A 0 9,-2.6 9,-2.8 -2,-0.6 2,-0.5 -0.912 32.3-130.7-136.2 164.1 97.1 90.6 -50.2 22 22 A R E -AB 5 29A 90 -17,-2.5 -17,-1.3 -2,-0.3 2,-0.3 -0.963 25.8-122.4-119.3 127.8 96.9 93.2 -53.0 23 23 A N E > -A 4 0A 32 5,-3.0 4,-2.5 -2,-0.5 -19,-0.2 -0.514 17.6-146.3 -67.7 124.2 99.4 93.3 -55.9 24 24 A K T 4 S+ 0 0 99 -21,-2.2 -1,-0.2 -2,-0.3 -20,-0.1 0.898 94.7 40.9 -59.0 -44.2 100.9 96.8 -55.8 25 25 A L T 4 S+ 0 0 165 -22,-0.4 -1,-0.2 1,-0.1 -21,-0.1 0.891 129.7 23.6 -74.4 -41.7 101.3 97.0 -59.6 26 26 A T T 4 S- 0 0 87 2,-0.1 -2,-0.2 0, 0.0 -1,-0.1 0.697 89.1-131.1-100.0 -23.2 98.0 95.5 -60.7 27 27 A G < + 0 0 33 -4,-2.5 -3,-0.1 1,-0.3 2,-0.1 0.463 55.1 149.2 84.3 0.8 95.7 96.0 -57.8 28 28 A E - 0 0 82 -6,-0.1 -5,-3.0 -5,-0.1 2,-0.4 -0.412 46.0-128.6 -71.9 142.2 94.6 92.3 -57.9 29 29 A V E +B 22 0A 47 -7,-0.2 46,-0.7 -2,-0.1 2,-0.3 -0.789 38.5 166.0 -93.3 132.7 93.6 90.6 -54.7 30 30 A V E -BC 21 74A 1 -9,-2.8 -9,-2.6 -2,-0.4 2,-0.7 -0.851 43.2-107.5-140.2 170.8 95.4 87.3 -54.1 31 31 A A E -BC 20 73A 10 42,-2.7 42,-2.8 -2,-0.3 2,-0.6 -0.943 37.0-161.7-103.6 112.9 96.2 84.6 -51.4 32 32 A L E -BC 19 72A 1 -13,-3.0 -13,-3.3 -2,-0.7 2,-0.5 -0.869 3.5-164.7-101.3 122.1 99.8 85.0 -50.5 33 33 A K E -BC 18 71A 28 38,-3.0 38,-2.4 -2,-0.6 2,-0.4 -0.929 8.6-149.9-113.0 120.7 101.4 82.1 -48.8 34 34 A K E - C 0 70A 80 -17,-2.4 2,-0.7 -2,-0.5 36,-0.2 -0.734 14.6-141.4 -86.8 130.5 104.7 82.4 -47.0 35 35 A I E C 0 69A 26 34,-3.0 34,-0.6 -2,-0.4 -19,-0.2 -0.841 360.0 360.0 -97.2 113.2 106.7 79.2 -47.0 36 36 A R 0 0 230 -21,-3.4 -1,-0.2 -2,-0.7 -20,-0.1 0.975 360.0 360.0 -73.8 360.0 108.5 78.6 -43.7 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 45 A P > 0 0 143 0, 0.0 4,-1.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 116.9 115.9 74.0 -51.5 39 46 A S H > + 0 0 99 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.812 360.0 60.1 -74.7 -32.3 116.4 74.6 -55.2 40 47 A T H > S+ 0 0 99 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.887 103.2 53.5 -63.1 -36.8 114.7 71.4 -56.2 41 48 A A H > S+ 0 0 5 2,-0.2 4,-3.0 1,-0.2 5,-0.3 0.909 105.8 52.3 -63.2 -44.7 111.5 72.8 -54.6 42 49 A I H X S+ 0 0 39 -4,-1.2 4,-2.1 1,-0.2 -2,-0.2 0.937 113.4 42.9 -57.9 -49.7 111.6 76.0 -56.5 43 50 A R H X S+ 0 0 202 -4,-2.0 4,-1.2 2,-0.2 -1,-0.2 0.919 116.4 47.9 -64.7 -42.8 111.9 74.3 -59.9 44 51 A E H X S+ 0 0 47 -4,-2.4 4,-0.7 1,-0.2 3,-0.5 0.933 113.8 44.9 -64.2 -48.7 109.2 71.7 -59.0 45 52 A I H >< S+ 0 0 1 -4,-3.0 3,-1.0 1,-0.2 4,-0.5 0.870 106.9 61.2 -64.4 -36.6 106.7 74.2 -57.6 46 53 A S H >< S+ 0 0 36 -4,-2.1 3,-1.4 -5,-0.3 4,-0.3 0.852 95.8 60.6 -60.8 -31.8 107.3 76.4 -60.6 47 54 A L H >< S+ 0 0 112 -4,-1.2 3,-1.7 -3,-0.5 -1,-0.3 0.826 93.6 66.5 -63.4 -29.7 106.1 73.7 -62.9 48 55 A L G X< S+ 0 0 20 -3,-1.0 3,-1.4 -4,-0.7 11,-0.4 0.694 81.3 75.2 -65.8 -19.2 102.8 73.8 -61.1 49 56 A K G < S+ 0 0 74 -3,-1.4 -1,-0.3 -4,-0.5 -2,-0.2 0.723 87.9 64.5 -64.1 -19.9 102.2 77.3 -62.5 50 57 A E G < S+ 0 0 139 -3,-1.7 -1,-0.3 -4,-0.3 -2,-0.2 0.690 77.8 101.7 -77.2 -20.2 101.4 75.5 -65.8 51 58 A L < + 0 0 27 -3,-1.4 8,-0.3 -4,-0.2 2,-0.3 -0.450 45.7 172.3 -68.4 134.4 98.4 73.7 -64.4 52 59 A N + 0 0 125 -2,-0.2 5,-0.1 6,-0.1 -3,-0.0 -0.906 13.2 136.8-147.3 116.0 95.1 75.3 -65.5 53 60 A H > - 0 0 33 3,-0.4 3,-2.1 -2,-0.3 54,-0.0 -0.962 57.1-117.9-156.6 141.9 91.7 73.8 -64.8 54 61 A P T 3 S+ 0 0 86 0, 0.0 4,-0.1 0, 0.0 80,-0.1 0.686 114.8 49.5 -57.4 -17.8 88.5 75.4 -63.6 55 62 A N T 3 S+ 0 0 6 80,-0.1 81,-2.3 51,-0.1 2,-0.4 0.199 96.8 80.2-109.8 19.7 88.5 73.2 -60.5 56 63 A I B < S-e 136 0B 13 -3,-2.1 -3,-0.4 79,-0.3 2,-0.3 -0.990 83.6-120.2-125.3 127.9 92.1 73.9 -59.5 57 64 A V - 0 0 9 79,-2.4 81,-0.2 -2,-0.4 82,-0.1 -0.512 42.0-114.2 -65.9 122.5 93.0 77.2 -57.6 58 65 A K - 0 0 99 -2,-0.3 16,-2.3 1,-0.1 2,-1.0 -0.368 13.1-141.1 -67.2 133.5 95.6 78.8 -59.9 59 66 A L E -D 73 0A 10 -11,-0.4 14,-0.3 -8,-0.3 3,-0.1 -0.854 22.6-175.9 -91.2 106.5 99.1 79.2 -58.7 60 67 A L E - 0 0 47 12,-2.1 2,-0.3 -2,-1.0 13,-0.2 0.861 55.9 -14.3 -74.7 -39.2 99.8 82.6 -60.1 61 68 A D E -D 72 0A 66 11,-1.6 11,-2.8 -3,-0.1 2,-0.5 -0.998 44.0-136.7-163.7 162.4 103.5 82.9 -59.2 62 69 A V E -D 71 0A 19 -2,-0.3 2,-0.6 9,-0.2 9,-0.2 -0.998 29.0-165.0-123.0 118.1 106.4 81.6 -57.2 63 70 A I E +D 70 0A 33 7,-2.6 7,-2.4 -2,-0.5 2,-0.6 -0.942 12.5 179.6-114.3 121.2 108.4 84.5 -55.7 64 71 A H E +D 69 0A 107 -2,-0.6 2,-0.3 5,-0.2 5,-0.2 -0.912 26.4 139.8-121.6 100.2 111.8 83.9 -54.3 65 72 A T E > +D 68 0A 58 3,-1.6 3,-2.2 -2,-0.6 -2,-0.1 -0.975 61.7 11.6-140.6 153.7 113.3 87.1 -53.0 66 73 A E T 3 S- 0 0 153 -2,-0.3 3,-0.1 1,-0.3 -1,-0.1 0.799 127.5 -67.2 48.6 33.3 115.4 88.2 -50.0 67 74 A N T 3 S+ 0 0 153 1,-0.2 2,-0.3 -3,-0.0 -1,-0.3 0.806 112.4 116.4 57.0 35.1 115.9 84.5 -49.5 68 75 A K E < - D 0 65A 86 -3,-2.2 -3,-1.6 2,-0.0 2,-0.5 -0.945 57.4-138.6-128.0 148.3 112.3 84.0 -48.6 69 76 A L E +CD 35 64A 24 -34,-0.6 -34,-3.0 -2,-0.3 2,-0.3 -0.937 22.1 174.0-115.0 131.3 109.7 81.9 -50.6 70 77 A Y E -CD 34 63A 38 -7,-2.4 -7,-2.6 -2,-0.5 2,-0.4 -0.969 17.8-151.4-130.9 147.5 106.2 83.0 -51.3 71 78 A L E -CD 33 62A 0 -38,-2.4 -38,-3.0 -2,-0.3 2,-0.6 -0.974 11.0-150.1-118.9 134.0 103.5 81.4 -53.4 72 79 A V E -CD 32 61A 6 -11,-2.8 -12,-2.1 -2,-0.4 -11,-1.6 -0.924 19.8-179.4-108.1 121.8 100.8 83.6 -55.0 73 80 A F E -CD 31 59A 8 -42,-2.8 -42,-2.7 -2,-0.6 -14,-0.2 -0.861 36.3 -96.4-119.7 153.0 97.4 81.9 -55.5 74 81 A E E -C 30 0A 48 -16,-2.3 2,-0.5 -2,-0.3 -44,-0.2 -0.381 48.4-117.1 -62.6 144.5 94.2 83.2 -57.0 75 82 A F - 0 0 60 -46,-0.7 2,-0.3 -18,-0.0 -1,-0.1 -0.747 29.8-163.7 -92.6 128.8 91.9 84.3 -54.2 76 83 A L - 0 0 14 -2,-0.5 53,-0.1 1,-0.1 3,-0.1 -0.753 25.4-116.8-109.7 163.4 88.6 82.6 -53.6 77 84 A H S S- 0 0 76 51,-0.6 2,-0.3 -2,-0.3 52,-0.2 0.811 81.3 -17.5 -66.0 -40.0 85.6 83.7 -51.6 78 85 A Q E -F 128 0B 29 50,-1.3 50,-2.8 204,-0.0 2,-0.2 -0.972 62.4-113.1-163.4 161.7 85.3 81.1 -48.8 79 86 A D E > -F 127 0B 22 -2,-0.3 4,-2.0 48,-0.2 48,-0.2 -0.672 29.7-114.7-102.3 162.5 86.6 77.6 -47.9 80 87 A L H > S+ 0 0 0 46,-2.7 4,-2.6 43,-1.1 44,-0.2 0.778 112.1 61.3 -67.2 -28.2 84.4 74.5 -47.6 81 88 A K H > S+ 0 0 94 42,-0.8 4,-2.3 45,-0.3 -1,-0.2 0.961 108.8 41.9 -63.0 -49.3 85.1 74.1 -43.9 82 89 A K H > S+ 0 0 115 1,-0.2 4,-2.8 2,-0.2 -2,-0.2 0.908 114.0 52.5 -63.5 -41.6 83.5 77.5 -43.2 83 90 A F H X S+ 0 0 6 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.906 110.2 48.4 -61.8 -41.9 80.6 76.8 -45.6 84 91 A M H < S+ 0 0 21 -4,-2.6 -1,-0.2 2,-0.2 -2,-0.2 0.917 112.4 48.1 -64.6 -41.7 79.9 73.5 -43.9 85 92 A D H >< S+ 0 0 101 -4,-2.3 3,-1.4 1,-0.2 4,-0.2 0.921 112.6 49.5 -62.5 -43.3 79.9 75.2 -40.5 86 93 A A H 3< S+ 0 0 79 -4,-2.8 3,-0.3 1,-0.3 -1,-0.2 0.798 113.6 46.3 -65.6 -29.0 77.6 77.9 -41.9 87 94 A S T 3X S+ 0 0 16 -4,-1.8 4,-3.3 -5,-0.2 3,-0.3 0.209 80.7 110.1 -97.7 13.2 75.3 75.3 -43.3 88 95 A A T <4 S+ 0 0 48 -3,-1.4 -1,-0.2 1,-0.2 -2,-0.1 0.832 72.3 52.6 -59.9 -38.8 75.2 73.1 -40.2 89 96 A L T 4 S+ 0 0 173 -3,-0.3 -1,-0.2 -4,-0.2 -2,-0.1 0.866 129.5 15.2 -67.9 -37.0 71.6 73.9 -39.1 90 97 A T T 4 S- 0 0 114 -3,-0.3 -2,-0.2 1,-0.0 -1,-0.2 0.662 103.4-129.0-110.1 -23.8 70.0 72.9 -42.5 91 98 A G < - 0 0 7 -4,-3.3 -3,-0.1 -7,-0.2 92,-0.1 0.054 35.1 -66.6 88.3 156.0 72.8 71.1 -44.2 92 99 A I - 0 0 12 90,-0.6 5,-0.1 1,-0.1 -8,-0.0 -0.677 63.8-104.5 -78.6 130.6 74.1 71.6 -47.8 93 100 A P >> - 0 0 82 0, 0.0 4,-2.1 0, 0.0 3,-0.7 -0.275 26.3-120.7 -55.8 142.0 71.4 70.7 -50.3 94 101 A L H 3> S+ 0 0 76 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.882 111.4 56.7 -53.9 -43.9 72.0 67.4 -52.0 95 102 A P H 3> S+ 0 0 68 0, 0.0 4,-2.0 0, 0.0 181,-0.4 0.885 110.4 45.3 -58.6 -33.4 72.2 68.9 -55.5 96 103 A L H <> S+ 0 0 6 -3,-0.7 4,-2.7 2,-0.2 -2,-0.2 0.865 110.6 52.5 -76.7 -35.6 75.0 71.2 -54.3 97 104 A I H X S+ 0 0 7 -4,-2.1 4,-2.7 2,-0.2 5,-0.2 0.931 112.0 47.6 -62.8 -43.0 76.8 68.4 -52.5 98 105 A K H X S+ 0 0 15 -4,-2.9 4,-2.5 2,-0.2 -2,-0.2 0.909 111.7 49.4 -64.3 -42.6 76.6 66.4 -55.8 99 106 A S H X S+ 0 0 4 -4,-2.0 4,-2.4 -5,-0.2 -2,-0.2 0.920 112.8 47.1 -62.7 -45.0 77.8 69.4 -57.9 100 107 A Y H X S+ 0 0 0 -4,-2.7 4,-2.6 2,-0.2 5,-0.2 0.923 112.4 48.8 -64.7 -44.1 80.8 70.0 -55.5 101 108 A L H X S+ 0 0 0 -4,-2.7 4,-2.3 -5,-0.2 -2,-0.2 0.935 111.7 50.2 -62.3 -41.9 81.8 66.3 -55.5 102 109 A F H X S+ 0 0 52 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.930 113.2 45.6 -60.4 -47.4 81.6 66.1 -59.3 103 110 A Q H X S+ 0 0 14 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.897 110.8 52.4 -64.0 -43.0 83.7 69.2 -59.7 104 111 A L H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.896 108.9 51.0 -61.1 -39.6 86.3 68.1 -57.1 105 112 A L H X S+ 0 0 0 -4,-2.3 4,-3.1 2,-0.2 -1,-0.2 0.870 107.4 53.1 -66.0 -35.8 86.6 64.7 -59.0 106 113 A Q H X S+ 0 0 61 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.911 109.6 49.4 -64.8 -39.3 87.2 66.6 -62.3 107 114 A G H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.914 113.4 45.2 -64.0 -44.5 89.9 68.6 -60.5 108 115 A L H X S+ 0 0 0 -4,-2.4 4,-3.3 2,-0.2 5,-0.3 0.936 110.9 53.3 -65.0 -44.3 91.5 65.3 -59.2 109 116 A A H X S+ 0 0 24 -4,-3.1 4,-1.9 1,-0.2 -2,-0.2 0.917 111.1 47.8 -57.7 -42.0 91.2 63.6 -62.6 110 117 A F H X S+ 0 0 37 -4,-2.2 4,-1.0 2,-0.2 -2,-0.2 0.959 115.6 42.4 -63.9 -51.9 93.0 66.5 -64.2 111 118 A C H ><>S+ 0 0 0 -4,-2.5 5,-2.4 1,-0.2 3,-0.9 0.930 114.5 50.5 -62.0 -45.9 95.8 66.7 -61.7 112 119 A H H ><5S+ 0 0 28 -4,-3.3 3,-1.6 1,-0.3 -1,-0.2 0.854 105.5 56.2 -61.2 -34.6 96.2 62.9 -61.6 113 120 A S H 3<5S+ 0 0 83 -4,-1.9 -1,-0.3 -5,-0.3 -2,-0.2 0.759 108.5 49.2 -69.0 -22.2 96.4 62.7 -65.4 114 121 A H T <<5S- 0 0 106 -4,-1.0 -1,-0.3 -3,-0.9 -2,-0.2 0.172 122.1-110.0 -99.3 14.9 99.3 65.2 -65.1 115 122 A R T < 5S+ 0 0 237 -3,-1.6 2,-0.5 1,-0.2 -3,-0.2 0.844 75.5 133.1 60.4 37.4 101.0 63.0 -62.5 116 123 A V < - 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