==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-MAR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 23-MAR-11 3R8C . COMPND 2 MOLECULE: CYTIDYLATE KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM ABSCESSUS; . AUTHOR SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS DISEASE (S . 403 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18927.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 287 71.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 40 9.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 13 3.2 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 0.5 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 . 27 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 151 37.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 2.0 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 1 3 0 0 4 1 0 2 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 8 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 3 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 ANTIPARALLEL BRIDGES PER LADDER . 0 2 0 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 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 S 0 0 136 0, 0.0 2,-0.5 0, 0.0 120,-0.1 0.000 360.0 360.0 360.0-124.3 7.5 1.6 -11.9 2 0 A M - 0 0 69 136,-0.1 121,-2.8 137,-0.0 2,-0.5 -0.731 360.0-163.7 -95.7 124.5 7.4 -1.8 -10.1 3 1 A V E -a 123 0A 27 -2,-0.5 137,-1.9 119,-0.2 136,-0.9 -0.895 4.5-173.6-103.2 129.0 7.5 -2.1 -6.2 4 2 A V E -ab 124 140A 2 119,-2.3 121,-3.5 -2,-0.5 2,-0.4 -0.998 8.0-159.3-123.7 125.0 8.3 -5.4 -4.5 5 3 A A E -ab 125 141A 0 135,-2.3 137,-2.1 -2,-0.5 2,-0.5 -0.795 3.0-165.6 -96.2 139.4 8.0 -5.6 -0.8 6 4 A V E +ab 126 142A 0 119,-2.5 121,-2.4 -2,-0.4 137,-0.2 -0.935 17.0 167.3-132.5 109.2 9.8 -8.4 1.0 7 5 A D E + b 0 143A 11 135,-3.0 137,-3.1 -2,-0.5 121,-0.2 -0.581 12.1 113.4-109.9 174.1 8.7 -9.0 4.6 8 6 A G - 0 0 3 135,-0.2 137,-0.2 119,-0.2 163,-0.1 -0.580 59.7 -66.4 143.7 162.7 9.4 -11.7 7.1 9 7 A P - 0 0 9 0, 0.0 3,-0.5 0, 0.0 5,-0.3 -0.039 59.6 -89.9 -64.1 174.9 11.1 -12.6 10.4 10 8 A S S S+ 0 0 96 1,-0.2 141,-0.1 2,-0.1 118,-0.0 -0.452 101.2 45.5 -83.9 162.5 14.8 -12.6 10.9 11 9 A G S S+ 0 0 43 -2,-0.1 143,-0.2 143,-0.0 -1,-0.2 0.476 79.7 100.7 84.0 4.9 17.2 -15.6 10.3 12 10 A T S S- 0 0 21 -3,-0.5 -2,-0.1 132,-0.1 133,-0.1 0.375 97.1-113.8 -94.5 -0.7 15.6 -16.6 7.0 13 11 A G > + 0 0 44 138,-0.1 4,-1.8 3,-0.1 3,-0.2 0.721 64.4 153.9 68.6 24.9 18.5 -15.0 5.0 14 12 A K H > + 0 0 22 -5,-0.3 4,-2.8 1,-0.2 5,-0.2 0.825 62.3 53.9 -50.0 -43.8 15.9 -12.5 3.7 15 13 A S H > S+ 0 0 37 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.920 107.2 47.5 -65.1 -51.8 18.4 -9.6 3.1 16 14 A S H > S+ 0 0 53 1,-0.2 4,-2.1 -3,-0.2 -1,-0.2 0.926 115.8 49.2 -53.2 -42.3 20.9 -11.6 0.9 17 15 A V H X S+ 0 0 2 -4,-1.8 4,-2.8 2,-0.2 -2,-0.2 0.907 110.7 46.1 -65.9 -49.1 17.8 -12.8 -1.0 18 16 A A H X S+ 0 0 0 -4,-2.8 4,-2.4 2,-0.2 -1,-0.2 0.875 111.6 53.7 -62.5 -40.5 16.1 -9.4 -1.6 19 17 A K H X S+ 0 0 45 -4,-2.3 4,-2.2 -5,-0.2 -2,-0.2 0.958 113.2 42.1 -55.3 -52.2 19.5 -7.9 -2.7 20 18 A E H X S+ 0 0 52 -4,-2.1 4,-2.6 2,-0.2 5,-0.2 0.897 111.9 54.2 -66.5 -42.3 20.0 -10.6 -5.3 21 19 A L H X S+ 0 0 0 -4,-2.8 4,-1.6 1,-0.2 -1,-0.2 0.908 109.0 51.1 -50.9 -44.7 16.3 -10.4 -6.3 22 20 A A H <>S+ 0 0 0 -4,-2.4 5,-2.9 1,-0.2 4,-0.5 0.904 109.7 48.6 -60.4 -48.8 17.0 -6.7 -6.9 23 21 A R H ><5S+ 0 0 84 -4,-2.2 3,-1.2 1,-0.2 -2,-0.2 0.918 111.7 48.7 -58.6 -44.4 20.0 -7.3 -9.0 24 22 A Q H 3<5S+ 0 0 97 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.793 111.8 49.6 -74.9 -23.2 18.3 -9.9 -11.2 25 23 A L T 3<5S- 0 0 51 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.520 110.7-119.9 -85.2 -4.7 15.3 -7.6 -11.7 26 24 A G T < 5S+ 0 0 72 -3,-1.2 2,-0.2 -4,-0.5 -3,-0.2 0.770 71.3 139.7 66.0 28.7 17.6 -4.6 -12.7 27 25 A A < - 0 0 13 -5,-2.9 96,-0.3 -6,-0.2 -1,-0.2 -0.597 58.1-104.7-110.4 164.0 16.0 -2.9 -9.7 28 26 A S E -c 123 0A 27 94,-3.3 96,-2.7 92,-0.3 2,-0.4 -0.310 32.8-144.2 -72.1 163.8 16.8 -0.6 -6.8 29 27 A Y E -c 124 0A 0 40,-2.3 2,-0.4 94,-0.2 96,-0.2 -0.999 11.6-168.0-139.0 134.1 17.0 -2.0 -3.3 30 28 A L E -c 125 0A 3 94,-2.2 96,-2.5 -2,-0.4 2,-0.9 -0.981 8.4-160.6-127.8 118.0 16.1 -0.5 0.1 31 29 A D E > +c 126 0A 8 -2,-0.4 4,-1.0 37,-0.4 96,-0.1 -0.841 13.2 177.7 -92.4 98.3 17.1 -2.0 3.5 32 30 A T H > S+ 0 0 3 94,-1.8 4,-2.0 -2,-0.9 3,-0.2 0.871 75.7 62.2 -77.3 -32.6 14.5 -0.4 5.8 33 31 A G H > S+ 0 0 31 93,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.906 100.4 55.4 -54.8 -43.6 15.9 -2.3 8.9 34 32 A A H > S+ 0 0 6 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.893 101.8 56.6 -57.0 -43.1 19.2 -0.6 8.4 35 33 A M H X S+ 0 0 1 -4,-1.0 4,-1.8 1,-0.2 -1,-0.2 0.935 107.8 47.5 -57.6 -45.8 17.4 2.8 8.5 36 34 A Y H X S+ 0 0 28 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.915 111.8 51.5 -58.5 -37.9 16.0 2.0 11.9 37 35 A R H X S+ 0 0 48 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.790 105.3 54.9 -70.8 -31.0 19.5 0.8 13.1 38 36 A I H X S+ 0 0 0 -4,-2.2 4,-2.1 -3,-0.2 -1,-0.2 0.916 108.6 48.1 -65.8 -46.6 21.1 4.0 11.9 39 37 A V H X S+ 0 0 3 -4,-1.8 4,-2.7 2,-0.2 -2,-0.2 0.894 111.0 52.6 -59.1 -40.7 18.7 6.1 14.1 40 38 A T H X S+ 0 0 0 -4,-1.8 4,-3.1 2,-0.2 5,-0.3 0.964 105.7 52.3 -63.8 -51.7 19.4 3.7 17.0 41 39 A L H X S+ 0 0 9 -4,-2.5 4,-2.9 1,-0.2 5,-0.2 0.941 111.2 48.7 -43.9 -52.3 23.2 4.2 16.7 42 40 A W H X S+ 0 0 81 -4,-2.1 4,-1.7 1,-0.2 -2,-0.2 0.936 112.3 47.1 -57.1 -51.0 22.6 8.0 16.8 43 41 A V H X>S+ 0 0 0 -4,-2.7 5,-1.4 1,-0.2 4,-0.9 0.931 112.9 50.0 -57.8 -48.6 20.4 7.8 19.9 44 42 A L H ><5S+ 0 0 1 -4,-3.1 3,-0.9 1,-0.2 251,-0.3 0.924 111.2 48.3 -55.9 -45.0 22.9 5.5 21.6 45 43 A R H 3<5S+ 0 0 92 -4,-2.9 -1,-0.2 -5,-0.3 -2,-0.2 0.771 109.0 53.7 -71.3 -23.1 25.8 7.8 20.9 46 44 A A H 3<5S- 0 0 59 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.608 106.7-132.4 -85.3 -13.0 23.8 10.7 22.2 47 45 A G T <<5 + 0 0 13 -4,-0.9 -3,-0.2 -3,-0.9 -2,-0.1 0.678 40.2 172.1 73.1 17.5 23.2 8.8 25.4 48 46 A V < - 0 0 23 -5,-1.4 2,-0.5 1,-0.1 -1,-0.2 -0.353 44.1-103.4 -56.6 136.2 19.5 9.5 25.4 49 47 A D > - 0 0 37 1,-0.1 3,-2.2 247,-0.1 7,-0.3 -0.562 26.0-146.9 -67.9 115.0 17.6 7.5 28.1 50 48 A L T 3 S+ 0 0 13 245,-2.9 -1,-0.1 -2,-0.5 246,-0.1 0.659 94.4 61.4 -66.0 -17.0 15.9 4.7 26.3 51 49 A T T 3 S+ 0 0 67 244,-0.3 -1,-0.3 1,-0.1 -2,-0.1 0.408 89.1 78.6 -85.2 1.4 13.0 4.7 28.8 52 50 A D X> - 0 0 11 -3,-2.2 4,-2.4 1,-0.2 3,-0.9 -0.801 57.0-177.9-112.5 88.6 12.1 8.3 27.8 53 51 A P H 3> S+ 0 0 72 0, 0.0 4,-3.1 0, 0.0 -1,-0.2 0.856 84.3 55.2 -55.7 -38.2 10.2 8.2 24.4 54 52 A A H 3> S+ 0 0 56 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.813 108.0 49.5 -63.1 -32.4 9.9 12.0 24.3 55 53 A A H <> S+ 0 0 27 -3,-0.9 4,-2.1 2,-0.2 -1,-0.2 0.922 111.5 48.2 -72.0 -44.8 13.7 12.3 24.7 56 54 A I H X S+ 0 0 1 -4,-2.4 4,-0.7 -7,-0.3 -2,-0.2 0.951 111.1 51.7 -55.5 -52.2 14.1 9.7 21.9 57 55 A A H >< S+ 0 0 21 -4,-3.1 3,-1.2 1,-0.2 -2,-0.2 0.937 113.0 43.6 -48.4 -54.5 11.6 11.8 19.8 58 56 A A H >< S+ 0 0 70 -4,-2.3 3,-0.8 1,-0.3 -1,-0.2 0.777 109.2 57.6 -68.2 -27.6 13.5 15.1 20.3 59 57 A A H 3< S+ 0 0 28 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.574 107.2 50.1 -79.5 -6.5 17.0 13.5 19.7 60 58 A T T X< S+ 0 0 3 -3,-1.2 3,-0.7 -4,-0.7 -1,-0.2 0.235 71.6 106.8-118.2 14.7 15.8 12.3 16.3 61 59 A D T < S+ 0 0 100 -3,-0.8 -1,-0.1 1,-0.3 -2,-0.1 0.832 96.4 22.9 -56.2 -36.6 14.4 15.5 14.6 62 60 A Q T 3 S+ 0 0 163 -4,-0.2 -1,-0.3 -3,-0.2 -2,-0.0 -0.481 74.0 174.4-135.7 64.0 17.4 15.8 12.3 63 61 A V < - 0 0 34 -3,-0.7 2,-2.5 1,-0.1 -24,-0.1 -0.629 28.6-141.5 -75.6 119.0 19.1 12.5 11.9 64 62 A P + 0 0 54 0, 0.0 15,-3.1 0, 0.0 16,-0.4 -0.382 46.0 154.2 -80.5 65.2 21.9 13.1 9.3 65 63 A M E +E 78 0B 30 -2,-2.5 2,-0.4 13,-0.2 13,-0.2 -0.774 22.1 177.7 -99.7 137.5 21.3 9.7 7.6 66 64 A S E +E 77 0B 64 11,-2.1 11,-2.8 -2,-0.4 2,-0.3 -0.992 5.5 177.1-136.9 128.0 22.0 8.7 4.0 67 65 A V - 0 0 31 -2,-0.4 2,-0.3 9,-0.2 9,-0.2 -0.880 24.3-119.0-125.8 163.3 21.5 5.2 2.5 68 66 A S - 0 0 32 7,-0.5 -37,-0.4 -2,-0.3 6,-0.0 -0.718 4.5-155.4-105.7 154.0 21.9 3.8 -1.0 69 67 A S + 0 0 45 -2,-0.3 -40,-2.3 -39,-0.1 5,-0.1 0.146 69.1 103.7-107.4 11.7 19.3 2.2 -3.2 70 68 A D > - 0 0 76 3,-0.3 3,-2.4 -42,-0.2 -42,-0.1 -0.865 62.3-154.2 -99.8 109.6 22.0 0.3 -5.1 71 69 A P T 3 S+ 0 0 11 0, 0.0 3,-0.3 0, 0.0 -1,-0.1 0.732 97.3 52.7 -60.1 -16.8 22.1 -3.4 -4.0 72 70 A D T 3 S+ 0 0 120 1,-0.2 -53,-0.0 -53,-0.0 -3,-0.0 0.487 113.7 41.6 -92.1 -3.2 25.8 -3.5 -5.0 73 71 A A < + 0 0 49 -3,-2.4 2,-1.0 2,-0.0 -3,-0.3 -0.398 67.3 166.3-145.4 61.0 26.8 -0.5 -2.9 74 72 A Q + 0 0 56 -3,-0.3 2,-0.4 -5,-0.1 -7,-0.0 -0.678 10.2 158.3 -84.9 102.0 25.1 -0.6 0.5 75 73 A T - 0 0 58 -2,-1.0 2,-0.7 8,-0.0 -7,-0.5 -0.989 32.2-144.6-125.0 132.6 26.7 1.9 2.8 76 74 A A - 0 0 8 -2,-0.4 7,-2.9 -9,-0.2 8,-0.5 -0.899 19.8-160.4 -97.3 116.6 25.0 3.3 5.8 77 75 A L E -EF 66 82B 53 -11,-2.8 -11,-2.1 -2,-0.7 2,-0.4 -0.875 15.6-179.6-104.0 129.9 26.0 7.0 6.3 78 76 A L E > S-EF 65 81B 4 3,-2.8 3,-2.2 -2,-0.5 -13,-0.2 -0.962 82.7 -24.9-125.8 111.7 25.6 8.8 9.6 79 77 A A T 3 S- 0 0 67 -15,-3.1 -1,-0.1 -2,-0.4 -14,-0.1 0.947 126.7 -52.1 47.3 54.1 26.7 12.4 9.4 80 78 A G T 3 S+ 0 0 68 -16,-0.4 2,-0.4 1,-0.2 -1,-0.3 0.371 114.8 122.3 69.6 -5.4 29.0 11.4 6.5 81 79 A E E < -F 78 0B 95 -3,-2.2 -3,-2.8 1,-0.0 2,-0.9 -0.756 67.6-125.2 -89.5 131.3 30.5 8.6 8.6 82 80 A D E +F 77 0B 88 -2,-0.4 3,-0.3 -5,-0.2 -5,-0.2 -0.645 37.0 168.0 -75.5 108.8 30.2 5.1 7.2 83 81 A V > + 0 0 0 -7,-2.9 4,-2.5 -2,-0.9 5,-0.3 0.151 33.2 121.4-112.3 14.4 28.5 3.2 10.0 84 82 A S T 4 S+ 0 0 34 -8,-0.5 4,-0.3 2,-0.2 -1,-0.2 0.811 81.1 47.4 -40.1 -41.3 27.7 -0.1 8.1 85 83 A V T >4 S+ 0 0 124 -3,-0.3 3,-1.4 2,-0.1 4,-0.3 0.981 113.1 42.9 -76.1 -56.9 29.7 -2.0 10.7 86 84 A P G >4 S+ 0 0 42 0, 0.0 3,-1.9 0, 0.0 6,-0.4 0.824 104.8 62.4 -58.7 -34.2 28.4 -0.5 14.0 87 85 A I G 3< S+ 0 0 1 -4,-2.5 -2,-0.1 1,-0.3 -3,-0.1 0.681 103.4 53.0 -68.1 -13.8 24.7 -0.5 13.0 88 86 A R G < S+ 0 0 121 -3,-1.4 -1,-0.3 -4,-0.3 -3,-0.1 0.520 89.7 111.5 -89.5 -7.9 25.0 -4.3 12.8 89 87 A G S <> S- 0 0 20 -3,-1.9 4,-2.1 -4,-0.3 5,-0.1 -0.109 79.6-112.9 -71.0 167.3 26.5 -4.6 16.3 90 88 A N H > S+ 0 0 80 2,-0.2 4,-2.4 1,-0.2 5,-0.1 0.794 113.6 59.7 -68.9 -36.4 24.7 -6.1 19.3 91 89 A E H > S+ 0 0 69 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.911 112.0 41.4 -55.6 -48.1 24.4 -2.9 21.2 92 90 A V H > S+ 0 0 2 -6,-0.4 4,-2.2 2,-0.2 -2,-0.2 0.903 111.0 54.9 -68.4 -39.5 22.3 -1.6 18.3 93 91 A T H < S+ 0 0 46 -4,-2.1 4,-0.5 1,-0.2 -2,-0.2 0.891 110.3 49.8 -59.8 -34.5 20.5 -4.9 17.9 94 92 A G H < S+ 0 0 0 -4,-2.4 157,-2.8 151,-0.3 158,-0.3 0.834 118.7 34.9 -67.6 -38.1 19.5 -4.5 21.7 95 93 A A H X S+ 0 0 0 -4,-1.4 4,-2.0 -3,-0.2 3,-0.5 0.593 91.7 92.1 -96.7 -17.3 18.2 -1.0 21.4 96 94 A V H X S+ 0 0 29 -4,-2.2 4,-2.7 1,-0.2 5,-0.2 0.863 87.9 46.8 -52.9 -43.7 16.7 -1.0 17.9 97 95 A S H > S+ 0 0 36 -4,-0.5 4,-1.2 1,-0.2 -1,-0.2 0.833 110.0 52.6 -75.5 -27.3 13.1 -2.0 19.0 98 96 A A H 4 S+ 0 0 14 -3,-0.5 -1,-0.2 -4,-0.2 -2,-0.2 0.870 115.7 40.8 -67.7 -40.6 13.0 0.6 21.9 99 97 A V H >< S+ 0 0 0 -4,-2.0 3,-1.6 1,-0.2 6,-0.2 0.944 115.1 51.0 -70.2 -48.1 14.0 3.4 19.4 100 98 A S H 3< S+ 0 0 28 -4,-2.7 6,-0.2 1,-0.3 -2,-0.2 0.709 99.2 66.6 -60.0 -26.8 11.7 2.0 16.6 101 99 A A T 3< S+ 0 0 76 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.1 0.558 75.5 101.2 -76.0 -7.1 8.7 1.8 19.0 102 100 A V S X> S- 0 0 12 -3,-1.6 4,-2.1 -4,-0.2 3,-0.7 -0.703 70.2-145.3 -82.2 117.8 8.7 5.6 19.3 103 101 A P H 3> S+ 0 0 101 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.831 98.4 54.0 -50.9 -43.4 5.8 6.9 17.0 104 102 A A H 3> S+ 0 0 29 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.927 110.1 48.9 -57.3 -43.5 7.7 10.1 16.0 105 103 A V H <> S+ 0 0 2 -3,-0.7 4,-1.9 -6,-0.2 -1,-0.2 0.947 114.5 43.0 -62.4 -49.8 10.7 7.9 15.0 106 104 A R H X S+ 0 0 27 -4,-2.1 4,-3.2 -6,-0.2 5,-0.4 0.947 110.4 58.2 -63.2 -45.9 8.6 5.5 12.8 107 105 A E H X S+ 0 0 130 -4,-2.9 4,-1.6 1,-0.2 -1,-0.2 0.908 109.5 42.3 -49.0 -52.9 6.6 8.4 11.3 108 106 A R H X S+ 0 0 33 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.913 117.5 47.3 -61.4 -40.4 9.7 10.1 9.9 109 107 A L H X S+ 0 0 4 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.844 108.9 51.2 -76.4 -34.3 11.2 6.9 8.7 110 108 A V H X S+ 0 0 18 -4,-3.2 4,-2.1 2,-0.2 -1,-0.2 0.877 111.0 51.4 -67.6 -39.3 8.1 5.5 7.0 111 109 A R H X S+ 0 0 120 -4,-1.6 4,-2.1 -5,-0.4 -2,-0.2 0.900 111.3 46.2 -63.8 -40.2 7.8 8.8 5.2 112 110 A Q H X S+ 0 0 65 -4,-1.8 4,-3.4 2,-0.2 5,-0.3 0.955 109.8 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