==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-JAN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 07-MAR-12 4E22 . COMPND 2 MOLECULE: CYTIDYLATE KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: YERSINIA PSEUDOTUBERCULOSIS; . AUTHOR E.A.CLARK,K.R.ACHARYA . 213 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11227.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 154 72.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 22 10.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 5.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.9 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 . 22 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 78 36.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 2.3 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 0 0 1 0 1 0 1 1 1 0 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 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 0 0 PARALLEL BRIDGES PER LADDER . 1 1 0 0 0 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 1 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 0 157 0, 0.0 4,-1.3 0, 0.0 140,-0.0 0.000 360.0 360.0 360.0 148.0 9.1 -18.9 -27.9 2 2 A T T 4 + 0 0 64 2,-0.1 2,-0.3 4,-0.1 211,-0.0 0.887 360.0 38.6 -53.1 -57.1 7.3 -21.4 -25.5 3 3 A A T 4 S+ 0 0 66 2,-0.2 2,-0.7 1,-0.1 122,-0.1 -0.709 108.8 50.3 -91.3 165.4 9.2 -24.5 -26.7 4 4 A I T 4 S- 0 0 133 -2,-0.3 -2,-0.1 120,-0.1 -1,-0.1 -0.836 137.9 -1.0 93.3 -78.7 12.9 -23.8 -27.5 5 5 A A S < S- 0 0 4 -4,-1.3 120,-0.2 -2,-0.7 -2,-0.2 -0.664 76.0-166.6-149.4 81.9 13.2 -22.1 -24.1 6 6 A P - 0 0 14 0, 0.0 120,-2.2 0, 0.0 2,-0.4 -0.367 11.2-148.5 -66.5 150.0 10.1 -21.9 -21.8 7 7 A V E -a 126 0A 0 118,-0.2 136,-1.3 133,-0.1 2,-0.5 -0.985 9.3-163.5-121.5 132.6 10.2 -19.6 -18.8 8 8 A I E -ab 127 143A 1 118,-2.7 120,-2.7 -2,-0.4 2,-0.3 -0.981 17.3-160.2-107.8 119.3 8.4 -20.2 -15.5 9 9 A T E -ab 128 144A 0 134,-2.6 136,-1.3 -2,-0.5 2,-0.4 -0.751 8.1-164.8 -99.4 150.3 8.4 -16.9 -13.5 10 10 A V E +ab 129 145A 0 118,-2.6 120,-2.2 -2,-0.3 2,-0.2 -0.940 12.9 178.8-137.1 110.5 7.8 -16.8 -9.8 11 11 A D E +ab 130 146A 0 134,-2.7 136,-3.3 -2,-0.4 120,-0.2 -0.706 20.7 103.6-110.8 159.3 6.9 -13.4 -8.3 12 12 A G - 0 0 1 118,-0.6 136,-0.2 -2,-0.2 3,-0.1 -0.856 63.7 -57.0 156.0 173.1 6.1 -12.4 -4.8 13 13 A P > - 0 0 8 0, 0.0 3,-0.7 0, 0.0 5,-0.3 -0.310 63.3 -90.6 -69.3 161.1 7.3 -10.7 -1.5 14 14 A S T 3 S+ 0 0 91 1,-0.2 144,-0.1 2,-0.1 140,-0.0 -0.509 109.6 35.1 -68.9 143.5 10.5 -11.8 0.3 15 15 A G T 3 S+ 0 0 19 -2,-0.2 142,-0.3 142,-0.1 -1,-0.2 0.643 84.3 104.2 90.2 15.9 9.9 -14.5 2.9 16 16 A A S < S- 0 0 0 -3,-0.7 177,-0.1 131,-0.1 -2,-0.1 0.484 100.7 -94.1-106.5 -6.2 7.1 -16.4 1.1 17 17 A G S > S+ 0 0 4 -4,-0.1 4,-3.1 137,-0.1 5,-0.2 0.505 83.3 132.7 105.1 8.6 9.1 -19.4 -0.0 18 18 A K H > S+ 0 0 26 -5,-0.3 4,-2.8 2,-0.2 5,-0.2 0.930 72.9 50.7 -54.9 -54.6 10.0 -18.0 -3.5 19 19 A G H > S+ 0 0 28 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.939 115.5 43.3 -46.6 -50.6 13.6 -18.9 -3.2 20 20 A T H > S+ 0 0 64 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.864 111.6 51.9 -71.9 -39.4 12.7 -22.4 -2.1 21 21 A L H X S+ 0 0 0 -4,-3.1 4,-2.4 1,-0.2 -1,-0.2 0.909 112.9 47.7 -61.9 -39.1 10.0 -22.9 -4.7 22 22 A C H X S+ 0 0 1 -4,-2.8 4,-2.0 -5,-0.2 -2,-0.2 0.903 109.5 49.2 -73.9 -42.0 12.4 -21.9 -7.4 23 23 A K H X S+ 0 0 44 -4,-2.4 4,-1.5 -5,-0.2 -1,-0.2 0.901 114.8 48.4 -60.0 -37.8 15.3 -24.1 -6.4 24 24 A A H X S+ 0 0 29 -4,-1.9 4,-1.4 -5,-0.2 -2,-0.2 0.897 111.2 46.8 -74.4 -42.5 12.9 -27.0 -6.2 25 25 A L H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.867 112.0 53.8 -60.6 -37.1 11.3 -26.4 -9.6 26 26 A A H <>S+ 0 0 5 -4,-2.0 5,-2.2 1,-0.2 4,-0.4 0.819 113.3 40.6 -71.3 -34.2 14.7 -25.9 -11.2 27 27 A E H <5S+ 0 0 61 -4,-1.5 -1,-0.2 3,-0.2 -2,-0.2 0.615 113.9 52.7 -89.7 -16.7 16.0 -29.3 -9.8 28 28 A S H <5S+ 0 0 68 -4,-1.4 -2,-0.2 -5,-0.1 -3,-0.2 0.837 123.6 28.6 -82.0 -35.5 12.8 -31.1 -10.6 29 29 A L T <5S- 0 0 47 -4,-2.1 -2,-0.2 -5,-0.2 -3,-0.2 0.497 104.4-127.8 -97.1 -6.0 12.7 -30.0 -14.2 30 30 A N T 5 + 0 0 128 -4,-0.4 2,-0.2 -5,-0.2 -3,-0.2 0.969 57.8 148.7 47.1 61.2 16.5 -29.7 -14.4 31 31 A W < - 0 0 39 -5,-2.2 95,-0.2 -6,-0.1 -1,-0.2 -0.700 52.8 -88.6-113.5 167.2 16.3 -26.1 -15.8 32 32 A R E -c 126 0A 101 93,-2.7 95,-2.4 -2,-0.2 2,-0.4 -0.357 40.9-138.7 -67.7 158.7 18.4 -23.0 -15.5 33 33 A L E -cD 127 71A 6 38,-0.6 38,-0.5 93,-0.2 2,-0.5 -0.985 15.5-170.3-127.1 126.9 17.8 -20.7 -12.5 34 34 A L E -c 128 0A 0 93,-2.8 95,-2.6 -2,-0.4 2,-0.7 -0.972 4.4-167.6-110.1 124.9 17.8 -16.9 -12.4 35 35 A D E > -c 129 0A 25 -2,-0.5 4,-1.3 93,-0.2 95,-0.2 -0.885 1.2-170.5-113.1 101.4 17.7 -15.3 -8.9 36 36 A S H >> S+ 0 0 13 93,-2.8 4,-1.4 -2,-0.7 3,-0.5 0.891 81.8 52.6 -61.3 -46.4 16.9 -11.6 -9.4 37 37 A G H 3> S+ 0 0 47 92,-0.4 4,-1.0 1,-0.3 3,-0.3 0.931 111.9 48.5 -55.3 -45.5 17.5 -10.4 -5.8 38 38 A A H 3> S+ 0 0 6 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.740 100.9 64.1 -67.0 -26.7 21.0 -12.0 -6.0 39 39 A I H S+ 0 0 2 -4,-1.4 5,-1.8 -5,-0.2 -2,-0.2 0.844 110.9 45.7 -77.7 -34.5 31.8 -3.4 -8.3 48 48 A L H ><5S+ 0 0 65 -4,-1.3 3,-0.7 3,-0.2 -2,-0.2 0.909 113.2 49.7 -74.1 -43.9 33.5 -3.7 -5.0 49 49 A H H 3<5S+ 0 0 77 -4,-2.5 -2,-0.2 1,-0.3 -3,-0.2 0.945 119.7 35.8 -55.1 -54.4 36.1 -6.3 -6.3 50 50 A H T 3<5S- 0 0 99 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.346 106.8-140.7 -84.6 8.0 37.0 -4.2 -9.3 51 51 A Q T < 5 + 0 0 171 -3,-0.7 2,-0.3 1,-0.1 -3,-0.2 0.836 36.6 169.2 31.0 75.4 36.5 -1.1 -7.0 52 52 A V < - 0 0 51 -5,-1.8 2,-0.4 1,-0.1 -1,-0.1 -0.735 43.4 -75.7-118.7 162.4 34.8 1.2 -9.5 53 53 A D - 0 0 91 -2,-0.3 2,-0.6 1,-0.1 6,-0.4 -0.362 34.3-162.5 -62.9 110.9 33.0 4.6 -9.2 54 54 A I S S+ 0 0 27 -2,-0.4 2,-0.2 2,-0.1 -1,-0.1 -0.331 73.9 60.5 -90.6 48.0 29.5 4.1 -7.7 55 55 A S S S+ 0 0 65 -2,-0.6 2,-4.3 48,-0.0 4,-0.3 -0.579 90.7 43.3-127.7-155.1 28.3 7.4 -8.9 56 56 A T S S- 0 0 65 -2,-0.2 2,-1.3 1,-0.2 -2,-0.1 0.282 85.6-133.0 48.1 -14.3 28.2 8.5 -12.5 57 57 A E S > S+ 0 0 51 -2,-4.3 4,-1.6 1,-0.2 -1,-0.2 0.282 75.4 114.7 58.1 -15.1 26.7 5.2 -13.7 58 58 A E T 4 S+ 0 0 139 -2,-1.3 -1,-0.2 1,-0.2 -2,-0.1 0.765 81.2 32.8 -60.8 -32.1 29.3 5.1 -16.6 59 59 A A T > S+ 0 0 33 -6,-0.4 4,-1.3 -4,-0.3 -1,-0.2 0.739 112.4 59.9 -99.7 -27.6 31.2 2.1 -15.4 60 60 A L H > S+ 0 0 0 -7,-0.3 4,-2.9 -5,-0.3 5,-0.2 0.789 95.0 66.1 -68.8 -31.5 28.4 0.1 -13.8 61 61 A V H X S+ 0 0 20 -4,-1.6 4,-2.6 1,-0.2 -1,-0.2 0.956 106.2 37.5 -61.6 -51.7 26.4 -0.1 -17.1 62 62 A P H > S+ 0 0 72 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.863 115.0 56.2 -71.9 -30.6 28.9 -2.3 -19.0 63 63 A L H >< S+ 0 0 37 -4,-1.3 3,-0.6 1,-0.2 4,-0.4 0.983 112.9 41.5 -54.8 -58.4 29.6 -4.3 -15.9 64 64 A A H >< S+ 0 0 0 -4,-2.9 3,-1.5 1,-0.2 -1,-0.2 0.914 108.6 60.0 -50.1 -51.8 25.9 -5.1 -15.5 65 65 A A H 3< S+ 0 0 34 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.780 122.4 21.4 -58.5 -32.7 25.4 -5.7 -19.2 66 66 A H T << S+ 0 0 164 -4,-1.4 -1,-0.3 -3,-0.6 -2,-0.2 0.117 84.4 165.3-122.6 20.2 27.9 -8.6 -19.4 67 67 A L < - 0 0 2 -3,-1.5 2,-1.3 -4,-0.4 -3,-0.1 -0.032 37.8-132.9 -40.3 131.0 28.0 -9.6 -15.7 68 68 A D + 0 0 73 2,-0.0 15,-2.5 -5,-0.0 2,-0.4 -0.669 56.1 134.3 -95.9 81.9 29.6 -13.0 -15.4 69 69 A V E + E 0 82A 1 -2,-1.3 2,-0.3 13,-0.2 13,-0.2 -0.972 26.5 172.1-135.2 139.4 27.2 -14.6 -13.1 70 70 A R E - E 0 81A 106 11,-1.3 11,-2.4 -2,-0.4 2,-0.6 -0.990 22.4-139.0-142.1 153.3 25.4 -18.0 -13.0 71 71 A F E -DE 33 80A 15 -38,-0.5 -38,-0.6 -2,-0.3 2,-0.4 -0.946 19.1-176.8-114.9 119.2 23.2 -19.7 -10.4 72 72 A V E - E 0 79A 43 7,-3.1 7,-3.8 -2,-0.6 2,-0.4 -0.928 3.3-169.9-109.8 139.6 23.6 -23.4 -9.7 73 73 A S E + E 0 78A 18 -2,-0.4 2,-0.4 5,-0.2 5,-0.2 -0.971 11.3 165.7-132.9 120.2 21.4 -25.2 -7.2 74 74 A Q E > - E 0 77A 112 3,-1.2 3,-1.5 -2,-0.4 -2,-0.0 -1.000 69.3 -4.2-129.9 135.5 22.0 -28.7 -6.0 75 75 A N T 3 S- 0 0 148 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.858 127.5 -55.7 54.8 39.7 20.3 -30.4 -3.0 76 76 A G T 3 S+ 0 0 31 1,-0.2 2,-0.4 -53,-0.1 -1,-0.3 0.235 109.8 110.7 88.3 -11.4 18.4 -27.3 -2.0 77 77 A Q E < -E 74 0A 146 -3,-1.5 -3,-1.2 -54,-0.1 2,-0.5 -0.820 63.8-128.6-104.9 135.7 21.3 -24.9 -1.6 78 78 A L E -E 73 0A 22 -2,-0.4 2,-0.6 -5,-0.2 -5,-0.2 -0.676 19.0-163.8 -85.7 123.4 21.9 -21.9 -3.9 79 79 A Q E -E 72 0A 61 -7,-3.8 -7,-3.1 -2,-0.5 2,-0.5 -0.928 4.3-163.4-110.1 118.1 25.4 -21.6 -5.3 80 80 A V E -E 71 0A 0 -2,-0.6 7,-2.9 -9,-0.2 2,-0.6 -0.880 3.2-165.7-107.2 124.2 26.2 -18.2 -6.8 81 81 A I E -EF 70 86A 28 -11,-2.4 -11,-1.3 -2,-0.5 2,-0.6 -0.912 6.6-175.3-121.5 111.8 29.2 -18.0 -9.1 82 82 A L E > S-EF 69 85A 3 3,-1.9 3,-1.3 -2,-0.6 -13,-0.2 -0.912 76.7 -25.8-107.4 114.9 30.8 -14.7 -10.2 83 83 A E T 3 S- 0 0 83 -15,-2.5 2,-0.4 -2,-0.6 -1,-0.2 0.857 127.1 -50.2 55.4 38.4 33.6 -14.8 -12.7 84 84 A G T 3 S+ 0 0 60 1,-0.3 -1,-0.3 -16,-0.2 2,-0.0 -0.272 115.3 108.1 96.6 -48.1 34.4 -18.3 -11.6 85 85 A E E < S-F 82 0A 108 -3,-1.3 -3,-1.9 -2,-0.4 2,-0.7 -0.356 74.7-119.6 -67.1 142.1 34.6 -17.8 -7.8 86 86 A D E +F 81 0A 72 -5,-0.2 -5,-0.2 1,-0.1 3,-0.1 -0.758 38.9 170.8 -75.7 116.4 31.8 -19.1 -5.6 87 87 A V > + 0 0 2 -7,-2.9 4,-2.1 -2,-0.7 5,-0.2 0.112 29.7 126.6-116.5 20.7 30.5 -15.9 -4.0 88 88 A S T 4 S+ 0 0 15 -8,-0.5 -1,-0.1 1,-0.2 4,-0.1 0.854 82.2 33.4 -51.0 -47.8 27.4 -17.3 -2.3 89 89 A N T >> S+ 0 0 141 1,-0.2 3,-1.9 2,-0.1 4,-0.5 0.864 111.5 63.1 -75.3 -39.9 28.3 -15.9 1.2 90 90 A E G >4 S+ 0 0 63 1,-0.3 3,-1.0 2,-0.2 6,-0.2 0.866 99.8 53.5 -54.8 -42.0 30.0 -12.8 -0.0 91 91 A I G 3< S+ 0 0 0 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.1 0.485 98.6 66.9 -75.0 -3.1 26.8 -11.4 -1.6 92 92 A R G <4 S+ 0 0 88 -3,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.682 75.3 106.5 -92.1 -15.6 24.9 -11.8 1.6 93 93 A T S S+ 0 0 154 1,-0.2 4,-1.0 2,-0.2 5,-0.1 0.822 110.2 54.7 -77.9 -31.7 25.1 -5.8 4.5 95 95 A T H > S+ 0 0 80 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.864 107.7 51.4 -67.1 -37.6 27.7 -3.6 2.8 96 96 A V H > S+ 0 0 4 -6,-0.2 4,-1.4 1,-0.2 -2,-0.2 0.925 110.6 47.8 -62.3 -46.7 27.1 -5.5 -0.5 97 97 A G H X S+ 0 0 8 -4,-1.6 4,-1.1 1,-0.2 -1,-0.2 0.650 110.1 52.8 -73.2 -18.0 23.4 -5.1 -0.3 98 98 A N H < S+ 0 0 95 -4,-1.0 4,-0.4 2,-0.2 -1,-0.2 0.727 109.9 47.2 -85.3 -28.3 23.8 -1.4 0.5 99 99 A T H X S+ 0 0 22 -4,-1.5 4,-1.6 2,-0.2 -2,-0.2 0.721 107.4 58.7 -80.6 -21.8 25.9 -0.9 -2.6 100 100 A A H X S+ 0 0 8 -4,-1.4 4,-2.5 1,-0.2 -2,-0.2 0.904 104.8 48.8 -69.9 -43.0 23.4 -2.9 -4.6 101 101 A S H < S+ 0 0 86 -4,-1.1 -1,-0.2 1,-0.2 -2,-0.2 0.687 109.4 55.4 -64.2 -19.7 20.7 -0.4 -3.7 102 102 A Q H 4 S+ 0 0 96 -4,-0.4 3,-0.5 2,-0.2 -2,-0.2 0.858 112.5 39.4 -83.1 -37.6 23.2 2.3 -4.8 103 103 A A H >< S+ 0 0 2 -4,-1.6 3,-1.8 1,-0.2 6,-0.2 0.868 108.0 64.5 -72.6 -39.2 23.6 0.8 -8.2 104 104 A A T 3< S+ 0 0 27 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.549 89.5 70.5 -63.8 -8.6 19.9 -0.0 -8.5 105 105 A A T 3 S+ 0 0 67 -3,-0.5 -1,-0.3 -4,-0.1 -2,-0.2 0.689 79.1 82.5 -85.1 -19.9 19.2 3.7 -8.4 106 106 A F S X> S- 0 0 53 -3,-1.8 4,-2.2 -4,-0.2 3,-1.0 -0.777 70.5-148.2 -90.6 119.2 20.5 4.5 -11.9 107 107 A P H 3> S+ 0 0 63 0, 0.0 4,-3.2 0, 0.0 5,-0.3 0.899 97.1 54.6 -54.3 -47.9 17.9 3.7 -14.6 108 108 A R H 3> S+ 0 0 131 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.794 108.9 49.2 -57.6 -31.9 20.6 2.8 -17.2 109 109 A V H <> S+ 0 0 0 -3,-1.0 4,-2.9 -6,-0.2 -1,-0.2 0.890 111.0 50.0 -72.3 -39.5 22.0 0.3 -14.8 110 110 A R H X S+ 0 0 111 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.915 112.3 46.8 -63.8 -41.9 18.5 -1.1 -14.2 111 111 A E H X S+ 0 0 113 -4,-3.2 4,-2.1 2,-0.2 -1,-0.2 0.869 111.9 52.0 -66.7 -36.4 18.0 -1.4 -17.9 112 112 A A H X S+ 0 0 9 -4,-1.7 4,-2.4 -5,-0.3 -2,-0.2 0.939 111.5 45.5 -62.7 -47.8 21.4 -3.0 -18.3 113 113 A L H X S+ 0 0 0 -4,-2.9 4,-2.2 2,-0.2 -2,-0.2 0.830 108.3 58.4 -65.7 -30.2 20.5 -5.6 -15.6 114 114 A L H X S+ 0 0 34 -4,-1.9 4,-2.0 -5,-0.2 -2,-0.2 0.955 108.9 44.1 -64.8 -45.4 17.2 -6.1 -17.2 115 115 A R H X S+ 0 0 193 -4,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.903 111.7 53.3 -65.0 -42.5 18.9 -7.1 -20.5 116 116 A R H < S+ 0 0 42 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.912 109.6 49.3 -57.5 -40.0 21.4 -9.3 -18.6 117 117 A Q H >< S+ 0 0 5 -4,-2.2 3,-1.5 1,-0.2 4,-0.2 0.858 106.8 53.9 -71.9 -38.7 18.5 -11.2 -16.9 118 118 A R H >< S+ 0 0 102 -4,-2.0 3,-2.5 1,-0.2 -1,-0.2 0.903 97.9 66.5 -57.6 -36.8 16.6 -11.8 -20.1 119 119 A A T 3< S+ 0 0 57 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.549 84.1 74.5 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