==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-JAN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 12-NOV-04 1WCC . COMPND 2 MOLECULE: CELL DIVISION PROTEIN KINASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.CLEASBY,M.O'REILLY,M.J.HARTSHORN,C.W.MURRAY,I.J.TICKLE, . 283 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14003.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 180 63.6 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 . 37 13.1 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 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 77 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 3 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 2 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 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 49 0, 0.0 3,-2.3 0, 0.0 66,-0.0 0.000 360.0 360.0 360.0 151.0 13.6 5.5 75.5 2 2 A E T 3 + 0 0 144 1,-0.3 22,-0.0 3,-0.1 0, 0.0 0.665 360.0 57.2 -61.8 -26.9 13.6 4.3 79.1 3 3 A N T 3 S+ 0 0 61 20,-0.1 21,-2.7 21,-0.1 2,-0.4 0.473 101.6 70.0 -81.1 -2.7 16.0 1.4 78.6 4 4 A F E < -A 23 0A 16 -3,-2.3 2,-0.7 19,-0.2 19,-0.2 -0.964 62.0-156.4-126.8 131.2 18.7 3.8 77.3 5 5 A Q E -A 22 0A 124 17,-2.5 17,-2.2 -2,-0.4 2,-0.1 -0.931 24.9-135.7-100.4 112.9 20.8 6.4 78.9 6 6 A K E -A 21 0A 86 -2,-0.7 15,-0.3 15,-0.2 3,-0.1 -0.481 23.6-179.3 -61.3 133.8 22.0 8.9 76.3 7 7 A V E - 0 0 80 13,-3.4 2,-0.3 1,-0.3 14,-0.2 0.723 62.1 -11.1-104.5 -40.3 25.7 9.6 76.9 8 8 A E E -A 20 0A 103 12,-1.7 12,-2.7 0, 0.0 2,-0.4 -0.971 60.3-109.2-159.1 150.0 26.2 12.1 74.1 9 9 A K E -A 19 0A 113 -2,-0.3 10,-0.2 10,-0.2 3,-0.1 -0.621 32.9-177.7 -65.4 125.1 24.8 13.8 71.0 10 10 A I E - 0 0 77 8,-3.3 2,-0.3 1,-0.4 9,-0.2 0.603 52.9 -56.7-104.7 -21.0 27.0 12.3 68.2 11 11 A G E -A 18 0A 27 7,-1.3 7,-3.0 2,-0.0 2,-0.7 -0.921 47.8 -85.6 163.4 174.8 25.5 14.2 65.3 12 12 A E E -A 17 0A 141 -2,-0.3 5,-0.3 5,-0.2 -3,-0.0 -0.954 49.8-164.9-108.5 107.9 22.4 15.1 63.2 13 13 A G - 0 0 35 3,-3.3 5,-0.0 -2,-0.7 -2,-0.0 -0.079 40.2 -84.9 -77.6-175.4 22.0 12.4 60.6 14 14 A T S S+ 0 0 62 1,-0.2 3,-0.1 3,-0.0 -1,-0.1 0.881 130.1 30.6 -52.0 -41.6 19.9 12.4 57.5 15 15 A Y S S- 0 0 33 1,-0.2 21,-1.7 20,-0.0 2,-0.3 0.608 127.6 -63.1-103.1 -17.7 16.9 11.3 59.5 16 16 A G S S- 0 0 16 19,-0.2 -3,-3.3 0, 0.0 -1,-0.2 -0.990 79.9 -15.3 164.3-155.4 17.5 12.9 62.9 17 17 A V E -A 12 0A 31 -2,-0.3 17,-2.2 -5,-0.3 2,-0.5 -0.510 47.5-151.0 -83.2 145.1 19.7 13.0 65.9 18 18 A V E -AB 11 33A 15 -7,-3.0 -8,-3.3 15,-0.2 -7,-1.3 -0.980 17.7-172.4-114.2 124.8 22.3 10.2 66.6 19 19 A Y E -AB 9 32A 32 13,-3.1 13,-3.6 -2,-0.5 2,-0.5 -0.916 27.4-133.0-116.4 142.5 23.2 9.5 70.2 20 20 A K E +AB 8 31A 43 -12,-2.7 -13,-3.4 -2,-0.4 -12,-1.7 -0.845 46.4 168.5 -76.0 129.3 25.8 7.4 71.9 21 21 A A E -AB 6 30A 0 9,-2.2 9,-2.6 -2,-0.5 2,-0.4 -0.926 33.1-130.1-141.8 163.4 23.7 5.6 74.5 22 22 A R E -AB 5 29A 125 -17,-2.2 -17,-2.5 -2,-0.3 2,-0.3 -0.988 19.4-133.6-120.1 129.9 24.0 2.7 77.0 23 23 A N E > -A 4 0A 16 5,-3.0 4,-2.0 -2,-0.4 -19,-0.2 -0.611 11.0-152.5 -76.2 134.5 21.4 -0.0 77.4 24 24 A K T 4 S+ 0 0 127 -21,-2.7 -1,-0.1 -2,-0.3 -20,-0.1 0.800 90.6 48.4 -87.6 -27.3 20.5 -0.7 81.0 25 25 A L T 4 S+ 0 0 132 -22,-0.3 -1,-0.2 1,-0.1 -21,-0.1 0.717 130.3 22.0 -82.0 -22.2 19.5 -4.3 80.8 26 26 A T T 4 S- 0 0 89 2,-0.1 -2,-0.2 0, 0.0 -1,-0.1 0.659 90.7-133.7-109.4 -26.1 22.7 -5.3 78.8 27 27 A G < + 0 0 34 -4,-2.0 -3,-0.1 1,-0.3 2,-0.1 0.456 54.2 151.8 76.3 3.3 25.1 -2.5 79.6 28 28 A E - 0 0 112 -6,-0.1 -5,-3.0 1,-0.1 2,-0.4 -0.393 44.5-134.6 -76.0 143.3 25.9 -2.3 75.9 29 29 A V E +B 22 0A 29 -7,-0.2 50,-0.6 -3,-0.1 2,-0.3 -0.817 38.7 165.6 -95.9 132.9 27.0 0.9 74.3 30 30 A V E -BC 21 78A 4 -9,-2.6 -9,-2.2 -2,-0.4 2,-0.6 -0.897 43.1-105.5-142.3 165.7 25.2 1.7 71.1 31 31 A A E -BC 20 77A 12 46,-2.6 46,-3.1 -2,-0.3 2,-0.6 -0.930 35.4-158.8 -98.1 120.6 24.3 4.3 68.5 32 32 A L E -BC 19 76A 3 -13,-3.6 -13,-3.1 -2,-0.6 2,-0.5 -0.876 6.3-167.1-102.0 122.1 20.7 5.4 68.9 33 33 A K E -BC 18 75A 31 42,-3.3 42,-2.6 -2,-0.6 2,-0.5 -0.950 9.8-154.6-114.0 122.3 19.1 7.0 65.9 34 34 A K E - C 0 74A 34 -17,-2.2 2,-0.4 -2,-0.5 40,-0.2 -0.838 19.3-139.0 -88.3 125.8 15.7 8.9 66.2 35 35 A I 0 0 4 38,-2.4 38,-0.5 -2,-0.5 -19,-0.2 -0.781 360.0 360.0 -95.3 132.8 14.0 8.8 62.8 36 36 A R 0 0 188 -21,-1.7 -19,-0.2 -2,-0.4 -2,-0.1 -0.584 360.0 360.0 59.8 360.0 12.3 12.1 61.9 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 0 160 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 137.2 4.2 12.7 61.5 39 42 A E - 0 0 178 32,-0.1 32,-0.0 0, 0.0 0, 0.0 0.399 360.0 -72.5-125.4 -7.3 1.3 10.3 60.9 40 43 A G S S- 0 0 23 31,-0.2 32,-0.1 2,-0.0 31,-0.1 0.771 85.2 -61.8 103.2 62.9 2.2 7.4 63.3 41 44 A V - 0 0 25 30,-0.4 5,-0.1 1,-0.1 31,-0.1 0.847 65.6-101.2 24.0 110.1 5.2 5.7 61.4 42 45 A P > - 0 0 77 0, 0.0 4,-1.7 0, 0.0 -1,-0.1 -0.137 23.5-132.6 -48.7 137.9 4.2 4.3 58.0 43 46 A S H > S+ 0 0 65 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.810 103.8 54.8 -68.5 -32.8 3.6 0.5 58.0 44 47 A T H > S+ 0 0 100 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.894 105.6 52.5 -68.5 -40.0 5.8 -0.1 54.9 45 48 A A H > S+ 0 0 6 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.900 109.0 51.1 -61.2 -40.8 8.8 1.6 56.4 46 49 A I H X S+ 0 0 34 -4,-1.7 4,-1.9 1,-0.2 -2,-0.2 0.941 111.3 47.4 -60.9 -46.1 8.4 -0.6 59.5 47 50 A R H X S+ 0 0 172 -4,-2.1 4,-1.3 2,-0.2 -2,-0.2 0.890 112.4 49.1 -62.8 -40.4 8.3 -3.7 57.3 48 51 A E H X S+ 0 0 54 -4,-2.6 4,-1.4 1,-0.2 3,-0.3 0.936 110.7 50.5 -63.3 -46.4 11.4 -2.6 55.2 49 52 A I H X S+ 0 0 0 -4,-2.5 4,-0.8 1,-0.2 -1,-0.2 0.864 105.8 55.2 -61.3 -36.9 13.4 -1.8 58.4 50 53 A S H >< S+ 0 0 50 -4,-1.9 3,-0.5 1,-0.2 4,-0.4 0.840 102.6 56.4 -70.1 -31.7 12.6 -5.2 59.9 51 54 A L H >X S+ 0 0 117 -4,-1.3 3,-1.4 -3,-0.3 4,-0.5 0.887 101.9 58.8 -61.8 -35.7 14.0 -6.9 56.7 52 55 A L H >< S+ 0 0 11 -4,-1.4 3,-0.8 1,-0.3 11,-0.3 0.770 89.7 69.9 -66.4 -25.0 17.2 -5.0 57.4 53 56 A K T << S+ 0 0 60 -4,-0.8 -1,-0.3 -3,-0.5 -2,-0.2 0.717 102.1 46.5 -65.0 -20.5 17.6 -6.6 60.9 54 57 A E T <4 S+ 0 0 141 -3,-1.4 2,-1.9 -4,-0.4 -1,-0.3 0.575 85.8 93.8 -95.4 -16.3 18.4 -9.8 59.0 55 58 A L << + 0 0 18 -3,-0.8 2,-0.4 -4,-0.5 8,-0.1 -0.529 60.4 166.4 -82.1 77.2 20.9 -8.3 56.6 56 59 A N + 0 0 64 -2,-1.9 5,-0.1 6,-0.1 6,-0.0 -0.782 7.3 145.9-103.2 135.1 23.9 -9.1 58.7 57 60 A H > - 0 0 45 3,-0.4 3,-1.8 -2,-0.4 54,-0.0 -0.956 54.3-113.9-162.6 147.5 27.6 -8.9 57.5 58 61 A P T 3 S+ 0 0 86 0, 0.0 4,-0.1 0, 0.0 53,-0.1 0.676 116.9 50.8 -58.7 -22.1 30.9 -8.0 59.2 59 62 A N T 3 S+ 0 0 10 80,-0.1 81,-2.7 48,-0.1 2,-0.4 0.188 98.6 78.7-104.9 18.3 31.2 -4.9 56.9 60 63 A I B < S-e 140 0B 10 -3,-1.8 -3,-0.4 79,-0.3 2,-0.2 -0.996 90.6-112.8-128.5 126.7 27.7 -3.6 57.7 61 64 A V - 0 0 7 79,-2.3 2,-0.2 -2,-0.4 82,-0.2 -0.438 44.9-111.1 -60.1 123.5 27.0 -1.8 61.0 62 65 A K - 0 0 95 -2,-0.2 16,-2.3 1,-0.1 2,-1.0 -0.386 14.8-139.4 -67.7 125.6 24.7 -4.1 62.9 63 66 A L E -D 77 0A 11 -11,-0.3 14,-0.3 14,-0.2 3,-0.1 -0.795 25.9-178.6 -79.4 105.0 21.2 -3.1 63.3 64 67 A L E - 0 0 41 12,-2.4 2,-0.3 -2,-1.0 13,-0.2 0.961 56.8 -11.8 -75.3 -51.6 20.8 -4.2 66.9 65 68 A D E -D 76 0A 78 11,-1.7 11,-3.0 -3,-0.2 2,-0.5 -0.964 48.2-142.9-150.3 158.6 17.2 -3.3 67.5 66 69 A V E -D 75 0A 25 -2,-0.3 2,-0.8 9,-0.2 9,-0.2 -0.987 19.6-161.5-125.1 115.0 14.2 -1.3 66.1 67 70 A I E +D 74 0A 23 7,-3.1 7,-1.9 -2,-0.5 2,-0.9 -0.856 12.9 177.4-106.0 101.6 12.1 0.4 68.7 68 71 A H E +D 73 0A 85 -2,-0.8 2,-0.4 5,-0.2 5,-0.2 -0.847 30.5 144.1 -97.2 92.5 8.7 1.3 67.5 69 72 A T E > +D 72 0A 50 3,-1.3 3,-1.4 -2,-0.9 -2,-0.1 -0.990 58.5 5.0-137.2 141.7 7.2 2.7 70.7 70 73 A E T 3 S- 0 0 164 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.832 127.8 -62.4 56.3 38.0 4.9 5.6 71.5 71 74 A N T 3 S+ 0 0 104 1,-0.2 -30,-0.4 -31,-0.1 2,-0.3 0.819 115.2 111.9 51.6 36.1 4.4 6.2 67.7 72 75 A K E < - D 0 69A 64 -3,-1.4 -3,-1.3 -32,-0.1 2,-0.5 -0.915 60.4-135.0-128.2 161.4 8.1 7.0 67.3 73 76 A L E + D 0 68A 3 -38,-0.5 -38,-2.4 -2,-0.3 2,-0.4 -0.975 21.1 176.1-122.6 123.7 10.9 5.1 65.6 74 77 A Y E -CD 34 67A 39 -7,-1.9 -7,-3.1 -2,-0.5 2,-0.5 -0.993 14.6-154.9-123.8 133.8 14.4 4.5 67.0 75 78 A L E -CD 33 66A 0 -42,-2.6 -42,-3.3 -2,-0.4 2,-0.6 -0.954 6.9-156.0-108.0 128.8 17.1 2.4 65.4 76 79 A V E +CD 32 65A 1 -11,-3.0 -12,-2.4 -2,-0.5 -11,-1.7 -0.926 18.8 179.1-106.5 118.0 19.7 1.0 67.6 77 80 A F E -CD 31 63A 12 -46,-3.1 -46,-2.6 -2,-0.6 -14,-0.2 -0.783 37.5 -91.5-114.2 157.4 23.0 0.2 65.9 78 81 A E E -C 30 0A 46 -16,-2.3 2,-0.4 -2,-0.3 -48,-0.2 -0.427 52.0-117.5 -57.6 142.5 26.3 -1.2 67.0 79 82 A F - 0 0 35 -50,-0.6 2,-0.3 -2,-0.1 -50,-0.1 -0.729 30.4-176.1 -94.6 133.8 28.6 1.6 68.0 80 83 A L - 0 0 17 -2,-0.4 53,-0.1 53,-0.1 52,-0.0 -0.970 22.8-139.0-125.0 148.0 31.8 2.5 66.3 81 84 A H S S+ 0 0 101 -2,-0.3 2,-0.3 51,-0.3 52,-0.1 0.644 76.0 28.6 -84.2 -21.0 34.1 5.2 67.5 82 85 A Q E -F 132 0B 19 50,-1.1 50,-2.5 203,-0.1 2,-0.3 -0.976 59.6-146.0-142.4 155.3 35.2 6.9 64.3 83 86 A D E > -F 131 0B 25 -2,-0.3 4,-2.0 48,-0.3 48,-0.2 -0.780 32.2-111.4-115.6 166.4 34.1 7.6 60.7 84 87 A L H > S+ 0 0 0 46,-2.6 4,-2.3 43,-1.1 44,-0.2 0.792 112.9 60.1 -66.8 -29.4 36.1 7.8 57.4 85 88 A K H > S+ 0 0 65 42,-0.7 4,-2.4 45,-0.3 -1,-0.2 0.970 110.3 40.2 -63.8 -51.0 35.5 11.6 57.1 86 89 A K H > S+ 0 0 98 1,-0.2 4,-3.4 2,-0.2 -2,-0.2 0.886 114.6 53.1 -64.1 -39.5 37.2 12.4 60.4 87 90 A F H X S+ 0 0 2 -4,-2.0 4,-1.0 2,-0.2 -1,-0.2 0.881 109.9 48.7 -63.9 -36.8 39.9 9.8 59.7 88 91 A M H < S+ 0 0 20 -4,-2.3 3,-0.3 2,-0.2 -2,-0.2 0.916 112.9 46.6 -68.8 -44.6 40.6 11.4 56.3 89 92 A D H >< S+ 0 0 98 -4,-2.4 3,-1.7 1,-0.2 -2,-0.2 0.957 112.3 51.1 -58.8 -50.4 40.7 14.9 57.9 90 93 A A H 3< S+ 0 0 73 -4,-3.4 -1,-0.2 1,-0.3 3,-0.2 0.745 113.7 46.0 -53.6 -27.3 43.0 13.4 60.6 91 94 A S T 3X S+ 0 0 3 -4,-1.0 4,-3.5 -3,-0.3 3,-0.3 0.176 78.5 115.9-104.5 15.1 45.2 12.0 57.9 92 95 A A T <4 S+ 0 0 44 -3,-1.7 -1,-0.2 1,-0.2 -2,-0.1 0.768 73.0 46.0 -60.4 -36.3 45.4 15.1 55.6 93 96 A L T 4 S+ 0 0 160 -3,-0.2 -1,-0.2 -4,-0.2 -2,-0.1 0.842 130.0 22.2 -83.0 -33.0 49.2 15.9 55.8 94 97 A T T 4 S- 0 0 105 -3,-0.3 -2,-0.2 3,-0.0 -1,-0.1 0.711 101.8-135.8 -98.1 -32.1 50.4 12.3 55.2 95 98 A G < - 0 0 11 -4,-3.5 -3,-0.1 -7,-0.2 89,-0.1 0.248 37.0 -65.6 77.6 149.0 47.3 10.8 53.5 96 99 A I - 0 0 12 87,-0.4 5,-0.1 1,-0.1 -8,-0.0 -0.525 65.1-106.0 -64.0 127.5 45.9 7.3 54.3 97 100 A P >> - 0 0 72 0, 0.0 4,-2.1 0, 0.0 3,-1.4 -0.312 25.3-119.3 -58.6 139.1 48.6 4.8 53.3 98 101 A L H 3> S+ 0 0 65 1,-0.3 4,-3.1 2,-0.2 5,-0.2 0.825 111.6 58.5 -51.8 -44.0 47.7 2.9 50.1 99 102 A P H 3> S+ 0 0 69 0, 0.0 4,-1.6 0, 0.0 178,-0.4 0.877 111.0 43.8 -51.8 -39.3 47.7 -0.6 51.8 100 103 A L H <> S+ 0 0 6 -3,-1.4 4,-2.8 2,-0.2 -2,-0.2 0.865 111.2 52.7 -75.2 -40.3 45.0 0.8 54.2 101 104 A I H X S+ 0 0 5 -4,-2.1 4,-2.7 1,-0.2 5,-0.2 0.954 111.4 48.0 -55.9 -50.3 43.0 2.5 51.4 102 105 A K H X S+ 0 0 12 -4,-3.1 4,-2.3 2,-0.2 -2,-0.2 0.891 111.3 49.7 -58.5 -42.2 43.1 -0.8 49.5 103 106 A S H X S+ 0 0 4 -4,-1.6 4,-2.4 -5,-0.2 5,-0.2 0.916 112.5 47.9 -64.8 -44.3 41.9 -2.8 52.7 104 107 A Y H X S+ 0 0 0 -4,-2.8 4,-2.6 2,-0.2 -2,-0.2 0.952 113.2 46.4 -61.5 -49.3 39.1 -0.3 53.2 105 108 A L H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.885 112.8 51.3 -60.4 -38.0 37.9 -0.4 49.6 106 109 A F H X S+ 0 0 61 -4,-2.3 4,-1.7 -5,-0.2 -1,-0.2 0.915 112.4 44.8 -66.7 -47.0 38.1 -4.2 49.6 107 110 A Q H X S+ 0 0 13 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.880 112.6 52.1 -64.4 -40.2 36.0 -4.6 52.8 108 111 A L H X S+ 0 0 0 -4,-2.6 4,-3.0 1,-0.2 -2,-0.2 0.948 108.4 50.4 -63.1 -46.6 33.5 -2.0 51.5 109 112 A L H X S+ 0 0 0 -4,-2.6 4,-2.9 2,-0.2 -1,-0.2 0.856 107.6 54.4 -56.7 -37.9 33.1 -3.9 48.3 110 113 A Q H X S+ 0 0 65 -4,-1.7 4,-1.9 2,-0.2 -1,-0.2 0.936 110.1 47.5 -60.6 -46.3 32.5 -7.1 50.3 111 114 A G H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.933 113.7 46.3 -57.8 -49.7 29.8 -5.3 52.2 112 115 A L H X S+ 0 0 0 -4,-3.0 4,-3.5 1,-0.2 5,-0.3 0.930 108.9 55.4 -60.2 -44.7 28.2 -4.0 48.9 113 116 A A H X S+ 0 0 23 -4,-2.9 4,-1.9 1,-0.2 -1,-0.2 0.908 110.0 47.2 -55.9 -44.5 28.4 -7.4 47.3 114 117 A F H X S+ 0 0 46 -4,-1.9 4,-1.1 2,-0.2 -1,-0.2 0.942 116.5 41.2 -58.5 -55.9 26.5 -8.9 50.2 115 118 A C H ><>S+ 0 0 0 -4,-2.2 5,-2.2 1,-0.2 3,-0.9 0.942 115.5 50.8 -61.7 -47.3 23.8 -6.3 50.2 116 119 A H H ><5S+ 0 0 26 -4,-3.5 3,-1.9 1,-0.3 -1,-0.2 0.820 101.8 61.8 -59.9 -34.5 23.5 -6.1 46.5 117 120 A S H 3<5S+ 0 0 68 -4,-1.9 -1,-0.3 -5,-0.3 -2,-0.2 0.831 108.1 44.4 -64.2 -30.9 23.2 -9.9 46.4 118 121 A H T <<5S- 0 0 89 -4,-1.1 -1,-0.3 -3,-0.9 -2,-0.2 0.120 121.2-110.9 -94.9 17.7 20.0 -9.5 48.4 119 122 A R T < 5S+ 0 0 193 -3,-1.9 2,-0.5 1,-0.2 -3,-0.2 0.741 73.6 136.7 64.8 24.4 18.9 -6.6 46.2 120 123 A V < - 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