==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 27-JUN-02 1H0V . COMPND 2 MOLECULE: CELL DIVISION PROTEIN KINASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.E.GIBSON,C.E.ARRIS,J.BENTLEY,F.T.BOYLE,N.J.CURTIN, . 288 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14368.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 181 62.8 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 13.9 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 . 1 0.3 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 . 18 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 77 26.7 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+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 2 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 . 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 42 0, 0.0 3,-2.3 0, 0.0 63,-0.0 0.000 360.0 360.0 360.0 -25.1 -13.0 30.5 -3.4 2 2 A E T 3 + 0 0 147 1,-0.3 22,-0.1 3,-0.0 0, 0.0 0.700 360.0 70.2 -56.1 -14.7 -13.0 30.5 -7.1 3 3 A N T 3 S+ 0 0 84 20,-0.1 21,-2.4 21,-0.1 22,-0.5 0.529 95.4 61.2 -81.0 -7.1 -10.7 33.4 -6.6 4 4 A F E < -A 23 0A 24 -3,-2.3 2,-0.5 19,-0.3 19,-0.2 -0.972 63.5-152.8-127.5 138.8 -7.9 31.2 -5.3 5 5 A Q E -A 22 0A 95 17,-3.3 17,-3.1 -2,-0.4 2,-0.3 -0.930 25.9-128.9-107.0 125.6 -5.8 28.4 -6.7 6 6 A K E -A 21 0A 133 -2,-0.5 15,-0.3 15,-0.2 3,-0.1 -0.551 23.5-176.6 -74.4 127.7 -4.4 26.0 -4.1 7 7 A V E - 0 0 63 13,-3.5 2,-0.3 1,-0.4 14,-0.2 0.806 60.4 -33.0 -95.9 -41.5 -0.7 25.5 -4.6 8 8 A E E -A 20 0A 116 12,-1.6 12,-3.3 0, 0.0 2,-0.5 -0.946 61.5 -92.1-174.3 164.9 -0.1 22.8 -1.9 9 9 A K E -A 19 0A 122 -2,-0.3 10,-0.3 10,-0.2 3,-0.1 -0.740 28.7-172.9 -92.9 122.6 -1.2 21.6 1.4 10 10 A I E - 0 0 61 8,-2.2 2,-0.3 -2,-0.5 9,-0.2 0.892 52.1 -81.3 -85.2 -38.6 0.8 23.1 4.1 11 11 A G E -A 18 0A 25 7,-1.5 7,-3.1 2,-0.0 2,-0.5 -0.983 48.8 -57.7 166.5-168.7 -0.5 21.0 6.9 12 12 A E E -A 17 0A 117 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.925 48.5-169.0-109.0 125.4 -3.3 20.3 9.4 13 13 A G - 0 0 18 3,-3.4 3,-0.3 -2,-0.5 113,-0.0 -0.535 42.9 -84.6-107.4 177.3 -4.0 23.0 11.8 14 14 A T S S+ 0 0 13 1,-0.2 3,-0.1 -2,-0.2 -1,-0.0 0.887 126.8 25.7 -42.3 -45.3 -6.1 23.2 14.9 15 15 A Y S S- 0 0 32 1,-0.2 21,-2.6 137,-0.1 2,-0.3 0.520 126.7 -44.4-106.7 -6.6 -9.3 23.9 12.8 16 16 A G S S- 0 0 21 -3,-0.3 -3,-3.4 19,-0.2 2,-0.2 -0.997 80.4 -34.8 165.5-173.1 -8.7 22.4 9.5 17 17 A V E -A 12 0A 25 -2,-0.3 17,-1.9 -5,-0.2 2,-0.4 -0.574 51.8-148.0 -78.7 145.8 -6.5 21.8 6.6 18 18 A V E -AB 11 33A 14 -7,-3.1 -8,-2.2 15,-0.2 -7,-1.5 -0.978 16.5-169.2-120.6 125.8 -4.2 24.8 5.8 19 19 A Y E -AB 9 32A 67 13,-3.0 13,-2.9 -2,-0.4 2,-0.5 -0.908 25.2-130.0-117.0 148.3 -3.3 25.4 2.2 20 20 A K E +AB 8 31A 42 -12,-3.3 -13,-3.5 -2,-0.4 -12,-1.6 -0.836 44.7 173.2 -84.9 132.7 -0.8 27.6 0.4 21 21 A A E -AB 6 30A 0 9,-3.0 9,-2.7 -2,-0.5 2,-0.4 -0.927 30.2-134.6-142.7 161.5 -2.8 29.3 -2.3 22 22 A R E -AB 5 29A 102 -17,-3.1 -17,-3.3 -2,-0.3 2,-0.7 -0.974 24.0-124.1-118.3 133.0 -2.5 32.0 -4.9 23 23 A N E > -A 4 0A 24 5,-3.2 4,-2.4 -2,-0.4 -19,-0.3 -0.661 16.1-147.2 -77.3 117.7 -5.1 34.6 -5.6 24 24 A K T 4 S+ 0 0 124 -21,-2.4 -1,-0.1 -2,-0.7 -20,-0.1 0.686 91.6 35.9 -58.6 -26.3 -6.2 34.5 -9.2 25 25 A L T 4 S+ 0 0 154 -22,-0.5 -1,-0.2 3,-0.1 -21,-0.1 0.923 130.0 25.8 -91.8 -55.2 -6.8 38.3 -9.6 26 26 A T T 4 S- 0 0 85 2,-0.1 -2,-0.2 1,-0.0 -1,-0.0 0.607 93.8-131.9 -80.6 -19.1 -4.1 40.0 -7.5 27 27 A G < + 0 0 34 -4,-2.4 -3,-0.1 1,-0.2 -23,-0.0 0.401 49.7 158.0 77.4 -4.3 -1.6 37.1 -7.7 28 28 A E - 0 0 100 -6,-0.1 -5,-3.2 -5,-0.1 2,-0.5 -0.194 39.1-135.3 -53.3 137.4 -1.1 37.3 -3.9 29 29 A V E +B 22 0A 48 -7,-0.2 47,-0.6 47,-0.1 2,-0.3 -0.877 38.3 164.3 -98.3 125.9 0.3 34.2 -2.2 30 30 A V E -BC 21 75A 2 -9,-2.7 -9,-3.0 -2,-0.5 2,-0.6 -0.837 42.3-112.7-136.1 167.8 -1.6 33.4 1.0 31 31 A A E -BC 20 74A 10 43,-2.8 43,-3.2 -2,-0.3 2,-0.5 -0.958 32.5-158.2-105.5 125.5 -2.3 30.7 3.5 32 32 A L E -BC 19 73A 4 -13,-2.9 -13,-3.0 -2,-0.6 2,-0.6 -0.904 4.6-164.3-110.1 123.0 -5.9 29.6 3.4 33 33 A K E -BC 18 72A 31 39,-2.7 39,-2.3 -2,-0.5 2,-0.3 -0.932 8.8-149.3-115.2 118.8 -7.4 27.9 6.4 34 34 A K E - C 0 71A 70 -17,-1.9 2,-0.7 -2,-0.6 37,-0.2 -0.607 14.0-143.8 -77.7 130.6 -10.6 25.9 6.2 35 35 A I E C 0 70A 20 35,-2.6 35,-0.6 -2,-0.3 -19,-0.2 -0.904 360.0 360.0-102.5 118.5 -12.6 26.0 9.4 36 36 A R 0 0 120 -21,-2.6 -20,-0.0 -2,-0.7 33,-0.0 -0.389 360.0 360.0 -86.3 360.0 -14.4 22.7 10.2 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 44 A V 0 0 67 0, 0.0 5,-0.1 0, 0.0 30,-0.1 0.000 360.0 360.0 360.0 120.2 -21.5 28.9 11.2 39 45 A P > - 0 0 90 0, 0.0 4,-1.5 0, 0.0 3,-0.4 0.004 360.0-125.3 -57.8 147.8 -22.8 30.7 14.2 40 46 A S H > S+ 0 0 71 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.813 107.2 59.9 -57.1 -43.8 -23.2 34.5 14.2 41 47 A T H > S+ 0 0 93 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.917 105.0 49.1 -55.2 -45.0 -21.1 35.0 17.3 42 48 A A H > S+ 0 0 5 -3,-0.4 4,-2.9 1,-0.2 5,-0.3 0.916 108.9 50.9 -65.5 -43.9 -18.1 33.4 15.7 43 49 A I H X S+ 0 0 42 -4,-1.5 4,-2.6 2,-0.2 -1,-0.2 0.934 111.8 49.2 -60.2 -43.9 -18.3 35.5 12.5 44 50 A R H X S+ 0 0 154 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.953 111.7 47.9 -62.9 -49.0 -18.5 38.7 14.7 45 51 A E H X S+ 0 0 42 -4,-2.6 4,-1.0 1,-0.2 3,-0.2 0.950 114.8 44.8 -54.6 -50.7 -15.6 37.7 16.8 46 52 A I H >X S+ 0 0 0 -4,-2.9 3,-1.3 1,-0.2 4,-0.8 0.941 107.2 59.4 -60.3 -41.1 -13.4 36.9 13.8 47 53 A S H >< S+ 0 0 44 -4,-2.6 3,-1.2 -5,-0.3 4,-0.3 0.892 101.1 55.4 -59.0 -32.4 -14.5 39.9 12.0 48 54 A L H >< S+ 0 0 109 -4,-1.8 3,-1.2 1,-0.3 -1,-0.3 0.764 96.8 65.0 -72.3 -24.1 -13.1 42.0 14.9 49 55 A L H X< S+ 0 0 14 -3,-1.3 3,-1.2 -4,-1.0 11,-0.3 0.736 82.7 77.6 -70.0 -19.2 -9.7 40.3 14.5 50 56 A K T << S+ 0 0 89 -3,-1.2 -1,-0.2 -4,-0.8 -2,-0.2 0.745 97.1 45.9 -62.0 -21.4 -9.3 41.9 11.1 51 57 A E T < S+ 0 0 161 -3,-1.2 2,-1.7 -4,-0.3 -1,-0.2 0.528 84.6 94.5 -99.3 -2.5 -8.5 45.2 12.8 52 58 A L < + 0 0 19 -3,-1.2 2,-0.4 -4,-0.3 -1,-0.1 -0.650 60.2 170.3 -89.6 76.5 -6.0 43.8 15.3 53 59 A N + 0 0 74 -2,-1.7 5,-0.1 6,-0.1 6,-0.1 -0.779 9.0 149.2-100.2 132.4 -3.0 44.5 13.3 54 60 A H > - 0 0 44 3,-0.4 3,-2.1 -2,-0.4 54,-0.0 -0.979 52.4-115.9-156.3 147.6 0.7 44.3 14.5 55 61 A P T 3 S+ 0 0 90 0, 0.0 4,-0.1 0, 0.0 -1,-0.1 0.758 117.3 48.4 -57.3 -25.7 4.0 43.4 12.9 56 62 A N T 3 S+ 0 0 9 80,-0.1 81,-2.3 48,-0.1 2,-0.4 0.125 98.4 81.1-103.0 21.0 4.4 40.4 15.1 57 63 A I B < S-e 137 0B 12 -3,-2.1 -3,-0.4 79,-0.3 81,-0.2 -0.996 89.8-114.3-123.6 123.6 0.8 39.1 14.4 58 64 A V - 0 0 8 79,-2.6 2,-0.2 -2,-0.4 82,-0.1 -0.374 43.4-111.7 -57.0 129.4 0.2 37.1 11.3 59 65 A K - 0 0 90 -4,-0.1 16,-2.5 1,-0.1 2,-0.7 -0.480 17.2-141.9 -74.8 130.2 -2.2 39.4 9.3 60 66 A L E -D 74 0A 10 -11,-0.3 14,-0.2 -2,-0.2 3,-0.1 -0.837 21.1-176.1 -84.3 116.9 -5.7 38.1 8.8 61 67 A L E - 0 0 34 12,-3.0 2,-0.3 -2,-0.7 -1,-0.2 0.938 54.6 -26.4 -85.3 -45.1 -6.4 39.3 5.2 62 68 A D E -D 73 0A 91 11,-1.2 11,-3.0 2,-0.0 2,-0.4 -0.970 47.8-127.8-163.3 165.5 -10.0 38.3 4.8 63 69 A V E -D 72 0A 28 -2,-0.3 2,-0.5 9,-0.2 9,-0.2 -0.984 21.5-161.7-121.5 130.2 -12.8 35.9 6.0 64 70 A I E +D 71 0A 33 7,-3.5 7,-3.0 -2,-0.4 2,-0.5 -0.964 10.1 178.2-121.3 123.0 -14.8 34.0 3.4 65 71 A H E +D 70 0A 79 -2,-0.5 2,-0.4 5,-0.2 5,-0.2 -0.968 17.0 149.9-126.6 109.6 -18.1 32.5 4.3 66 72 A T E > -D 69 0A 57 3,-1.9 3,-3.1 -2,-0.5 -2,-0.0 -0.993 64.2 -1.6-146.5 145.9 -20.0 30.7 1.5 67 73 A E T 3 S- 0 0 153 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.837 127.1 -59.7 37.2 50.7 -22.4 27.8 1.4 68 74 A N T 3 S+ 0 0 141 1,-0.2 2,-0.3 -30,-0.1 -1,-0.3 0.744 113.7 115.3 59.5 22.5 -22.1 27.5 5.0 69 75 A K E < - D 0 66A 92 -3,-3.1 -3,-1.9 -31,-0.1 2,-0.4 -0.910 52.9-146.4-116.4 157.2 -18.3 26.9 4.9 70 76 A L E -CD 35 65A 1 -35,-0.6 -35,-2.6 -2,-0.3 2,-0.4 -0.980 15.2-179.7-131.3 129.7 -15.7 29.3 6.4 71 77 A Y E -CD 34 64A 27 -7,-3.0 -7,-3.5 -2,-0.4 2,-0.5 -0.993 13.1-154.2-129.1 134.8 -12.2 30.1 5.2 72 78 A L E -CD 33 63A 0 -39,-2.3 -39,-2.7 -2,-0.4 2,-0.6 -0.919 10.4-148.6-107.6 132.4 -9.8 32.5 6.7 73 79 A V E +CD 32 62A 5 -11,-3.0 -12,-3.0 -2,-0.5 -11,-1.2 -0.864 23.5 179.6-102.5 116.4 -7.2 34.1 4.5 74 80 A F E -CD 31 60A 12 -43,-3.2 -43,-2.8 -2,-0.6 -14,-0.2 -0.856 36.0 -91.9-117.1 159.2 -3.9 34.8 6.2 75 81 A E E -C 30 0A 47 -16,-2.5 2,-0.4 -2,-0.3 -45,-0.2 -0.342 47.9-124.7 -50.6 138.3 -0.5 36.3 5.3 76 82 A F - 0 0 42 -47,-0.6 2,-0.3 -2,-0.0 -47,-0.1 -0.788 28.0-176.6 -98.7 130.1 1.9 33.5 4.2 77 83 A L - 0 0 15 -2,-0.4 53,-0.1 1,-0.1 3,-0.1 -0.857 31.6-118.6-117.2 167.4 5.3 33.0 5.9 78 84 A H S S- 0 0 100 51,-0.4 2,-0.3 -2,-0.3 52,-0.1 0.794 79.9 -1.2 -90.4 -17.7 7.8 30.5 4.9 79 85 A Q E -F 129 0B 42 50,-1.4 50,-3.0 209,-0.0 2,-0.2 -0.991 59.8-122.2-158.1 156.8 8.2 28.3 8.0 80 86 A D E > -F 128 0B 24 -2,-0.3 4,-2.0 48,-0.3 48,-0.2 -0.549 34.3-109.4 -94.1 165.5 7.0 27.6 11.5 81 87 A L H > S+ 0 0 0 46,-2.2 4,-2.9 43,-1.3 44,-0.2 0.767 114.4 60.5 -67.8 -29.7 9.1 27.5 14.6 82 88 A K H > S+ 0 0 55 42,-0.5 4,-2.5 45,-0.2 -1,-0.2 0.967 108.5 43.6 -63.2 -48.5 8.7 23.7 15.1 83 89 A K H > S+ 0 0 94 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.900 114.4 51.0 -62.1 -39.8 10.3 23.1 11.7 84 90 A F H X S+ 0 0 8 -4,-2.0 4,-1.6 2,-0.2 -2,-0.2 0.938 111.0 48.1 -63.6 -41.1 13.0 25.7 12.4 85 91 A M H < S+ 0 0 19 -4,-2.9 3,-0.5 2,-0.2 -2,-0.2 0.946 111.8 49.3 -62.6 -46.7 13.8 24.1 15.8 86 92 A D H >< S+ 0 0 94 -4,-2.5 3,-1.3 1,-0.3 -1,-0.2 0.880 111.9 48.6 -60.7 -45.3 14.0 20.6 14.2 87 93 A A H 3< S+ 0 0 83 -4,-2.6 3,-0.3 1,-0.2 -1,-0.3 0.738 113.0 48.5 -65.0 -25.3 16.2 21.8 11.5 88 94 A S T 3X S+ 0 0 18 -4,-1.6 4,-2.7 -3,-0.5 3,-0.5 0.188 79.9 111.3 -96.7 14.3 18.4 23.5 14.1 89 95 A A T <4 + 0 0 47 -3,-1.3 -1,-0.2 1,-0.2 -2,-0.1 0.833 65.5 59.6 -66.3 -26.7 18.6 20.5 16.3 90 96 A L T 4 S+ 0 0 170 -3,-0.3 -1,-0.2 1,-0.2 -2,-0.1 0.924 128.7 10.3 -70.3 -34.4 22.3 19.5 15.9 91 97 A T T 4 S- 0 0 105 -3,-0.5 -2,-0.2 1,-0.1 -1,-0.2 0.532 102.0-121.6-122.8 -7.1 23.5 22.8 17.1 92 98 A G < - 0 0 11 -4,-2.7 97,-0.1 -7,-0.2 -3,-0.1 0.208 39.0 -69.2 76.4 152.9 20.6 24.8 18.7 93 99 A I - 0 0 12 95,-0.5 5,-0.1 1,-0.1 98,-0.0 -0.655 64.5-104.0 -71.6 130.3 19.2 28.2 17.8 94 100 A P >> - 0 0 80 0, 0.0 4,-2.2 0, 0.0 3,-1.2 -0.270 26.2-117.3 -61.2 142.3 21.8 30.7 18.8 95 101 A L H 3> S+ 0 0 70 1,-0.3 4,-3.1 2,-0.2 5,-0.2 0.843 111.1 55.2 -52.1 -44.9 21.0 32.7 21.9 96 102 A P H 3> S+ 0 0 67 0, 0.0 4,-1.8 0, 0.0 186,-0.4 0.840 110.9 46.4 -60.1 -30.2 20.8 36.1 20.3 97 103 A L H <> S+ 0 0 6 -3,-1.2 4,-2.5 2,-0.2 -2,-0.2 0.860 111.1 51.5 -79.2 -33.2 18.2 34.8 17.9 98 104 A I H X S+ 0 0 6 -4,-2.2 4,-2.7 1,-0.2 5,-0.2 0.952 113.0 48.0 -59.6 -47.0 16.2 33.1 20.8 99 105 A K H X S+ 0 0 14 -4,-3.1 4,-2.2 1,-0.2 -1,-0.2 0.881 110.4 49.3 -62.6 -46.4 16.3 36.4 22.5 100 106 A S H X S+ 0 0 3 -4,-1.8 4,-2.0 -5,-0.2 -1,-0.2 0.906 111.7 49.1 -60.2 -44.2 15.2 38.3 19.5 101 107 A Y H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.935 111.2 49.6 -62.2 -43.5 12.3 36.0 18.9 102 108 A L H X S+ 0 0 0 -4,-2.7 4,-3.0 1,-0.2 -2,-0.2 0.923 110.6 50.2 -59.6 -46.8 11.1 36.1 22.5 103 109 A F H X S+ 0 0 57 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.910 112.8 46.0 -55.9 -48.8 11.3 39.9 22.5 104 110 A Q H X S+ 0 0 8 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.889 112.3 50.9 -65.4 -38.0 9.2 40.1 19.3 105 111 A L H X S+ 0 0 0 -4,-2.3 4,-3.0 2,-0.2 -2,-0.2 0.930 109.0 51.8 -66.9 -43.7 6.7 37.6 20.6 106 112 A L H X S+ 0 0 0 -4,-3.0 4,-3.0 2,-0.2 -1,-0.2 0.881 107.2 53.1 -57.2 -39.6 6.3 39.6 23.8 107 113 A Q H X S+ 0 0 60 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.947 109.3 49.3 -61.5 -45.2 5.7 42.7 21.6 108 114 A G H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 5,-0.2 0.958 113.8 45.0 -53.2 -56.7 2.9 40.8 19.9 109 115 A L H X S+ 0 0 0 -4,-3.0 4,-3.1 1,-0.2 5,-0.4 0.940 108.8 55.5 -54.7 -47.5 1.4 39.6 23.2 110 116 A A H X S+ 0 0 5 -4,-3.0 4,-1.8 1,-0.2 -1,-0.2 0.900 109.5 49.2 -55.0 -38.8 1.6 43.1 24.7 111 117 A F H X S+ 0 0 47 -4,-2.0 4,-0.7 -5,-0.2 -1,-0.2 0.956 116.0 39.1 -65.7 -54.7 -0.3 44.5 21.8 112 118 A C H ><>S+ 0 0 0 -4,-2.3 5,-2.5 1,-0.2 3,-1.0 0.890 114.7 53.3 -63.9 -43.7 -3.2 41.9 21.8 113 119 A H H ><5S+ 0 0 16 -4,-3.1 3,-2.1 1,-0.3 -1,-0.2 0.859 100.3 61.9 -61.9 -35.1 -3.4 41.8 25.6 114 120 A S H 3<5S+ 0 0 68 -4,-1.8 -1,-0.3 -5,-0.4 -2,-0.2 0.726 108.7 43.9 -60.3 -24.0 -3.7 45.6 25.6 115 121 A H T <<5S- 0 0 106 -3,-1.0 -1,-0.3 -4,-0.7 -2,-0.2 0.117 121.2-110.6-103.3 10.6 -7.0 45.1 23.7 116 122 A R T < 5S+ 0 0 172 -3,-2.1 2,-0.5 1,-0.2 -3,-0.2 0.699 73.3 135.5 66.4 24.9 -8.1 42.2 25.9 117 123 A V < - 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