==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 01-DEC-03 1VHT . COMPND 2 MOLECULE: DEPHOSPHO-COA KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR STRUCTURAL GENOMIX . 605 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 33989.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 445 73.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 63 10.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.7 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 . 3 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 4.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 72 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 254 42.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.7 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 0 0 0 6 1 4 6 0 3 0 0 0 0 2 1 1 0 0 0 0 0 2 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 9 3 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 . 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 3 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 0 A S 0 0 143 0, 0.0 2,-0.6 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 159.0 37.4 0.4 81.7 2 1 A L - 0 0 118 2,-0.0 2,-0.3 0, 0.0 200,-0.1 -0.861 360.0-148.7 -93.9 131.4 36.6 1.4 78.1 3 2 A R - 0 0 67 -2,-0.6 2,-0.4 105,-0.0 105,-0.1 -0.755 13.2-125.3 -99.6 141.5 36.8 5.1 77.3 4 3 A Y E -a 108 0A 15 103,-0.5 105,-2.6 -2,-0.3 2,-0.6 -0.691 29.3-153.8 -84.4 128.1 34.6 6.9 74.7 5 4 A I E -a 109 0A 16 -2,-0.4 121,-2.0 103,-0.2 122,-1.6 -0.917 16.6-174.6-111.6 120.5 36.9 8.7 72.2 6 5 A V E -ab 110 127A 0 103,-2.7 105,-2.6 -2,-0.6 2,-0.3 -0.963 18.2-152.8-104.9 116.4 35.8 11.7 70.3 7 6 A A E -ab 111 128A 0 120,-2.9 122,-3.1 -2,-0.6 2,-0.4 -0.746 5.8-158.6 -90.2 144.1 38.6 12.7 67.8 8 7 A L E +ab 112 129A 0 103,-2.7 105,-2.6 -2,-0.3 2,-0.3 -0.980 19.8 159.4-119.4 132.1 39.0 16.3 66.7 9 8 A T E + b 0 130A 1 120,-2.0 122,-2.3 -2,-0.4 2,-0.2 -0.886 5.7 151.5-144.2 172.6 40.7 17.4 63.5 10 9 A G - 0 0 3 104,-0.3 122,-0.1 -2,-0.3 106,-0.1 -0.853 43.6 -89.1 170.0 159.1 40.9 20.4 61.1 11 10 A G > - 0 0 2 120,-0.4 3,-2.0 -2,-0.2 4,-0.3 -0.157 66.4 -54.2 -82.8 179.7 43.4 21.9 58.8 12 11 A I T 3 S+ 0 0 36 1,-0.3 -1,-0.2 2,-0.1 130,-0.1 -0.271 125.5 10.9 -55.5 134.3 46.0 24.6 59.6 13 12 A G T 3 S+ 0 0 25 -3,-0.1 -1,-0.3 128,-0.1 128,-0.1 0.519 91.4 117.1 74.8 15.3 44.5 27.7 61.1 14 13 A S S < S- 0 0 1 -3,-2.0 -2,-0.1 117,-0.1 -3,-0.1 0.778 85.6-105.5 -84.7 -26.4 41.1 26.1 61.7 15 14 A G > + 0 0 14 -4,-0.3 4,-2.8 -5,-0.1 5,-0.3 0.725 59.8 155.1 110.2 28.1 41.1 26.4 65.5 16 15 A K H > S+ 0 0 32 -5,-0.3 4,-2.5 1,-0.2 5,-0.1 0.940 81.4 41.4 -50.9 -50.5 41.6 22.8 66.7 17 16 A S H > S+ 0 0 70 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.868 111.7 56.7 -70.4 -34.5 43.1 24.0 70.1 18 17 A T H > S+ 0 0 72 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.945 112.3 40.8 -57.8 -53.0 40.5 26.8 70.4 19 18 A V H X S+ 0 0 0 -4,-2.8 4,-1.8 2,-0.2 3,-0.3 0.911 112.5 56.1 -64.4 -39.2 37.6 24.2 70.2 20 19 A A H X S+ 0 0 4 -4,-2.5 4,-2.4 -5,-0.3 -2,-0.2 0.927 104.4 53.1 -61.5 -37.7 39.5 21.7 72.4 21 20 A N H X S+ 0 0 101 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.838 104.4 56.0 -64.5 -36.0 39.8 24.4 75.2 22 21 A A H X S+ 0 0 17 -4,-1.3 4,-0.8 -3,-0.3 -1,-0.2 0.862 110.3 44.7 -62.2 -40.5 36.0 24.9 75.0 23 22 A F H ><>S+ 0 0 0 -4,-1.8 5,-1.7 1,-0.2 3,-0.9 0.915 110.9 53.8 -68.3 -41.2 35.5 21.2 75.7 24 23 A A H ><5S+ 0 0 41 -4,-2.4 3,-2.0 1,-0.3 -2,-0.2 0.879 101.8 59.7 -57.0 -40.0 38.2 21.3 78.4 25 24 A D H 3<5S+ 0 0 139 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.779 101.8 54.3 -58.1 -31.3 36.2 24.1 80.0 26 25 A L T <<5S- 0 0 81 -3,-0.9 -1,-0.3 -4,-0.8 -2,-0.2 0.358 131.6 -92.1 -83.1 2.7 33.3 21.7 80.3 27 26 A G T < 5S+ 0 0 49 -3,-2.0 2,-0.4 1,-0.3 -3,-0.2 0.652 78.3 141.8 101.2 13.7 35.4 19.1 82.2 28 27 A I < - 0 0 7 -5,-1.7 2,-0.4 -8,-0.1 -1,-0.3 -0.775 49.8-129.3 -92.8 131.4 36.7 17.0 79.3 29 28 A N E -c 109 0A 71 79,-0.5 81,-2.1 -2,-0.4 2,-0.4 -0.647 24.2-148.0 -76.7 129.3 40.3 15.7 79.4 30 29 A V E -c 110 0A 53 -2,-0.4 2,-0.5 79,-0.2 81,-0.2 -0.861 9.4-162.9-100.8 129.9 42.0 16.5 76.1 31 30 A I E -c 111 0A 5 79,-2.8 81,-2.4 -2,-0.4 2,-0.5 -0.989 12.5-159.6-113.3 117.6 44.7 14.2 74.7 32 31 A D E > -c 112 0A 38 -2,-0.5 4,-2.4 79,-0.2 3,-0.3 -0.871 14.7-149.0-108.0 120.1 46.8 16.0 72.0 33 32 A A H > S+ 0 0 23 79,-2.7 4,-2.0 -2,-0.5 -1,-0.1 0.816 98.7 52.6 -53.5 -36.2 48.8 14.0 69.5 34 33 A D H > S+ 0 0 98 78,-0.3 4,-1.5 2,-0.2 -1,-0.2 0.844 110.0 47.7 -73.3 -31.3 51.5 16.6 69.2 35 34 A I H > S+ 0 0 85 -3,-0.3 4,-2.2 2,-0.2 -2,-0.2 0.920 110.4 52.9 -71.5 -36.9 52.0 16.7 73.0 36 35 A I H X S+ 0 0 0 -4,-2.4 4,-1.5 1,-0.2 -2,-0.2 0.909 106.2 53.6 -62.1 -42.5 52.1 12.9 73.0 37 36 A A H < S+ 0 0 35 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.841 110.2 47.0 -61.9 -37.9 54.8 13.0 70.3 38 37 A R H >< S+ 0 0 148 -4,-1.5 3,-1.5 1,-0.2 -1,-0.2 0.875 107.7 58.3 -70.9 -32.1 57.0 15.3 72.4 39 38 A Q H >< S+ 0 0 58 -4,-2.2 3,-1.4 1,-0.3 -2,-0.2 0.848 94.4 62.7 -66.3 -30.5 56.4 13.2 75.6 40 39 A V T 3< S+ 0 0 13 -4,-1.5 7,-0.6 1,-0.3 -1,-0.3 0.576 107.8 44.2 -74.8 -7.7 57.9 10.0 74.1 41 40 A V T < S+ 0 0 12 -3,-1.5 25,-0.4 -4,-0.2 -1,-0.3 0.121 87.2 127.7-118.3 18.1 61.3 11.7 73.7 42 41 A E S X S- 0 0 93 -3,-1.4 3,-2.5 1,-0.2 6,-0.2 -0.282 77.0 -64.5 -68.5 166.6 61.3 13.4 77.1 43 42 A P T 3 S+ 0 0 83 0, 0.0 -1,-0.2 0, 0.0 22,-0.1 -0.170 125.9 15.1 -54.8 127.7 64.2 13.0 79.5 44 43 A G T 3 S+ 0 0 78 20,-0.5 -2,-0.1 1,-0.3 21,-0.1 0.384 91.6 142.7 87.6 -1.0 64.6 9.4 80.6 45 44 A A X - 0 0 20 -3,-2.5 3,-1.0 1,-0.1 4,-0.5 -0.395 59.3-121.1 -73.2 152.0 62.3 8.0 77.8 46 45 A P T >> S+ 0 0 99 0, 0.0 4,-1.1 0, 0.0 3,-0.9 0.833 107.6 62.8 -60.2 -38.4 63.1 4.7 76.1 47 46 A A H 3> S+ 0 0 2 -7,-0.6 4,-2.4 1,-0.2 5,-0.2 0.786 89.5 71.8 -61.9 -26.7 63.3 6.2 72.6 48 47 A L H <> S+ 0 0 11 -3,-1.0 4,-2.4 -6,-0.2 -1,-0.2 0.880 95.8 49.0 -59.8 -40.3 66.3 8.3 73.7 49 48 A H H <> S+ 0 0 83 -3,-0.9 4,-2.6 -4,-0.5 -1,-0.2 0.961 112.8 48.0 -65.6 -43.0 68.7 5.4 73.9 50 49 A A H X S+ 0 0 30 -4,-1.1 4,-1.8 1,-0.2 -2,-0.2 0.867 111.4 50.8 -63.5 -37.5 67.7 4.1 70.5 51 50 A I H X S+ 0 0 0 -4,-2.4 4,-3.0 2,-0.2 5,-0.4 0.919 110.1 49.2 -67.8 -41.2 68.0 7.7 69.0 52 51 A A H X S+ 0 0 19 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.932 110.5 50.8 -64.8 -43.7 71.5 8.0 70.5 53 52 A D H < S+ 0 0 141 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.879 118.7 38.1 -60.5 -39.2 72.6 4.6 69.1 54 53 A H H < S+ 0 0 70 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.918 129.9 24.6 -77.7 -48.3 71.3 5.6 65.6 55 54 A F H < S- 0 0 6 -4,-3.0 -3,-0.2 1,-0.2 -2,-0.2 0.626 119.5 -81.8 -98.3 -15.3 72.2 9.2 65.2 56 55 A G >< - 0 0 24 -4,-2.4 3,-1.9 -5,-0.4 -1,-0.2 -0.233 35.2 -90.8 123.8 148.8 75.2 9.5 67.6 57 56 A A G > S+ 0 0 83 1,-0.3 3,-1.7 2,-0.2 -1,-0.1 0.829 117.3 69.6 -61.5 -29.1 75.8 10.0 71.3 58 57 A N G 3 S+ 0 0 120 1,-0.3 -1,-0.3 -6,-0.1 -2,-0.1 0.435 72.8 84.1 -72.4 -1.3 75.8 13.8 70.9 59 58 A M G < S+ 0 0 2 -3,-1.9 8,-3.4 -7,-0.1 2,-0.4 0.637 86.4 74.2 -73.9 -8.9 72.1 13.8 70.1 60 59 A I B < S-E 66 0B 46 -3,-1.7 6,-0.2 6,-0.2 5,-0.1 -0.869 79.3-134.7-107.4 130.9 71.9 13.9 74.0 61 60 A A > - 0 0 20 4,-4.1 3,-1.7 -2,-0.4 -1,-0.1 -0.063 36.0 -88.9 -74.7-179.9 72.6 16.9 76.2 62 61 A A T 3 S+ 0 0 116 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.838 128.0 45.6 -60.9 -35.0 74.7 17.2 79.4 63 62 A D T 3 S- 0 0 119 2,-0.1 -1,-0.3 1,-0.0 -2,-0.1 0.259 125.6 -97.0 -93.4 8.8 71.6 16.4 81.6 64 63 A G S < S+ 0 0 32 -3,-1.7 -20,-0.5 1,-0.3 2,-0.2 0.447 81.2 134.2 91.2 7.3 70.5 13.4 79.4 65 64 A T - 0 0 33 -22,-0.1 -4,-4.1 1,-0.1 -1,-0.3 -0.484 61.6 -95.2 -95.6 151.2 67.9 15.4 77.4 66 65 A L B -E 60 0B 14 -25,-0.4 2,-1.8 -6,-0.2 -6,-0.2 -0.414 21.4-132.5 -64.9 131.7 67.4 15.3 73.7 67 66 A Q > + 0 0 91 -8,-3.4 4,-1.7 1,-0.2 5,-0.2 -0.654 35.5 178.6 -82.9 85.5 69.1 18.0 71.5 68 67 A R H > S+ 0 0 76 -2,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.894 72.6 49.7 -62.0 -41.4 65.8 18.5 69.7 69 68 A R H > S+ 0 0 174 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.941 111.0 50.7 -66.0 -41.7 67.1 21.3 67.4 70 69 A A H > S+ 0 0 37 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.786 110.7 49.6 -64.8 -32.6 70.1 19.2 66.3 71 70 A L H X S+ 0 0 14 -4,-1.7 4,-2.3 2,-0.2 5,-0.2 0.936 109.4 50.0 -72.9 -44.1 67.8 16.2 65.6 72 71 A R H X S+ 0 0 157 -4,-2.4 4,-1.1 1,-0.2 -2,-0.2 0.896 113.4 47.6 -58.6 -42.0 65.4 18.2 63.5 73 72 A E H X S+ 0 0 90 -4,-2.1 4,-0.8 2,-0.2 -1,-0.2 0.832 109.6 52.4 -68.5 -35.0 68.4 19.6 61.5 74 73 A R H < S+ 0 0 95 -4,-1.5 3,-0.4 1,-0.2 -2,-0.2 0.881 109.0 49.2 -70.4 -37.7 70.0 16.2 61.0 75 74 A I H >< S+ 0 0 11 -4,-2.3 3,-0.5 1,-0.2 7,-0.4 0.771 106.3 56.6 -73.8 -24.1 66.8 14.7 59.6 76 75 A F H 3< S+ 0 0 81 -4,-1.1 -1,-0.2 1,-0.2 -2,-0.2 0.707 110.5 44.5 -77.8 -22.4 66.4 17.6 57.1 77 76 A A T 3< S+ 0 0 87 -4,-0.8 -1,-0.2 -3,-0.4 -2,-0.2 0.279 121.6 40.8-100.8 3.9 69.8 16.9 55.7 78 77 A N X> - 0 0 28 -3,-0.5 3,-2.8 1,-0.1 4,-0.5 -0.477 69.0-174.5-153.0 68.3 69.1 13.1 55.6 79 78 A P H >> S+ 0 0 92 0, 0.0 3,-1.2 0, 0.0 4,-0.9 0.744 80.9 62.9 -36.2 -42.2 65.6 12.5 54.4 80 79 A E H 3> S+ 0 0 76 1,-0.3 4,-1.5 2,-0.2 5,-0.1 0.796 95.2 64.0 -59.7 -27.3 65.7 8.7 55.0 81 80 A E H <> S+ 0 0 46 -3,-2.8 4,-2.8 2,-0.2 -1,-0.3 0.794 90.3 63.9 -68.2 -30.5 66.1 9.4 58.7 82 81 A K H S+ 0 0 66 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.879 115.8 52.3 -61.1 -34.9 54.5 2.2 68.6 92 91 A L H X S+ 0 0 52 -4,-0.5 4,-2.5 -3,-0.3 -2,-0.2 0.903 109.9 48.7 -68.3 -38.3 55.6 4.3 71.6 93 92 A I H X S+ 0 0 44 -4,-2.8 4,-2.7 2,-0.2 5,-0.2 0.902 110.6 51.1 -68.1 -40.8 53.1 7.0 70.5 94 93 A Q H X S+ 0 0 102 -4,-2.9 4,-2.3 -5,-0.2 -2,-0.2 0.938 113.3 45.0 -59.8 -46.8 50.4 4.4 70.2 95 94 A Q H X S+ 0 0 81 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.907 114.3 47.4 -63.0 -45.2 51.1 3.1 73.7 96 95 A E H X S+ 0 0 56 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.882 110.9 52.4 -66.7 -36.9 51.4 6.6 75.3 97 96 A T H X S+ 0 0 11 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.938 112.1 45.3 -63.4 -46.2 48.1 7.7 73.7 98 97 A Q H X S+ 0 0 88 -4,-2.3 4,-2.8 -5,-0.2 -2,-0.2 0.905 110.9 54.1 -63.6 -38.8 46.3 4.6 75.0 99 98 A H H X S+ 0 0 93 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.954 110.6 45.9 -60.1 -44.6 47.9 5.2 78.4 100 99 A Q H X S+ 0 0 42 -4,-2.5 4,-1.3 2,-0.2 -1,-0.2 0.871 111.5 51.6 -69.1 -34.6 46.6 8.8 78.6 101 100 A I H >< S+ 0 0 6 -4,-2.3 3,-0.5 1,-0.2 -1,-0.2 0.954 111.2 47.6 -66.4 -43.4 43.2 7.8 77.4 102 101 A Q H 3< S+ 0 0 64 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.846 112.4 51.3 -63.6 -34.0 43.0 5.1 80.1 103 102 A Q H 3< S+ 0 0 130 -4,-2.0 2,-0.3 -5,-0.2 -1,-0.2 0.681 88.0 95.9 -78.5 -18.0 44.2 7.7 82.6 104 103 A A << - 0 0 8 -4,-1.3 5,-0.1 -3,-0.5 -76,-0.0 -0.571 52.6-169.6 -75.8 136.3 41.6 10.3 81.7 105 104 A T + 0 0 123 -2,-0.3 -1,-0.1 3,-0.0 4,-0.1 0.392 45.4 115.3-105.9 -1.5 38.5 10.3 84.0 106 105 A S S S- 0 0 13 1,-0.1 -78,-0.1 2,-0.0 -79,-0.1 -0.255 85.0 -99.6 -67.1 163.5 36.1 12.6 82.1 107 106 A P S S- 0 0 82 0, 0.0 -103,-0.5 0, 0.0 2,-0.3 0.835 104.9 -4.1 -53.6 -36.8 32.9 11.1 80.7 108 107 A Y E S-a 4 0A 0 -105,-0.1 -79,-0.5 -102,-0.0 2,-0.3 -0.907 79.4-121.5-147.1 161.3 34.6 10.9 77.3 109 108 A V E -ac 5 29A 0 -105,-2.6 -103,-2.7 -2,-0.3 2,-0.6 -0.862 10.4-138.5-110.0 152.8 38.0 12.1 76.0 110 109 A L E -ac 6 30A 0 -81,-2.1 -79,-2.8 -2,-0.3 2,-0.7 -0.959 17.2-162.8-108.6 115.3 38.7 14.6 73.2 111 110 A W E -ac 7 31A 16 -105,-2.6 -103,-2.7 -2,-0.6 2,-0.6 -0.913 6.1-153.9-104.5 110.7 41.7 13.3 71.1 112 111 A V E +ac 8 32A 3 -81,-2.4 -79,-2.7 -2,-0.7 -78,-0.3 -0.771 20.8 171.1 -93.6 117.8 43.1 16.2 69.0 113 112 A V > - 0 0 3 -105,-2.6 3,-1.9 -2,-0.6 4,-0.2 -0.832 21.5-172.9-132.5 97.0 44.8 14.7 65.9 114 113 A P T 3 S+ 0 0 27 0, 0.0 3,-0.4 0, 0.0 -104,-0.3 0.848 92.8 45.8 -57.1 -37.5 46.0 17.1 63.2 115 114 A L T 3> S+ 0 0 84 1,-0.2 4,-2.7 2,-0.1 6,-0.4 0.038 75.3 125.2 -95.1 31.2 46.8 14.1 60.9 116 115 A L T <4>S+ 0 0 0 -3,-1.9 5,-1.8 1,-0.2 6,-0.8 0.912 81.4 32.3 -57.6 -44.8 43.6 12.2 61.6 117 116 A V T >45S+ 0 0 20 -3,-0.4 3,-1.4 -4,-0.2 -1,-0.2 0.954 118.6 52.6 -80.0 -44.1 42.6 11.9 57.9 118 117 A E T 345S+ 0 0 59 1,-0.3 -2,-0.2 -4,-0.2 -1,-0.2 0.866 119.4 35.1 -56.9 -41.7 46.1 11.7 56.5 119 118 A N T 3<5S- 0 0 98 -4,-2.7 -1,-0.3 0, 0.0 -2,-0.2 0.287 107.2-122.1 -97.5 9.1 47.1 8.8 58.9 120 119 A S T X 5 + 0 0 48 -3,-1.4 3,-1.2 -4,-0.2 -3,-0.2 0.818 61.5 147.4 54.3 36.5 43.6 7.2 58.8 121 120 A L G > < + 0 0 51 -5,-1.8 3,-2.0 -6,-0.4 -4,-0.1 0.601 48.8 85.8 -80.6 -7.1 43.4 7.6 62.6 122 121 A Y G > S+ 0 0 66 -6,-0.8 3,-1.9 1,-0.3 -1,-0.3 0.762 75.7 74.4 -63.2 -20.1 39.6 8.1 62.5 123 122 A K G < S+ 0 0 155 -3,-1.2 -1,-0.3 1,-0.3 -2,-0.2 0.725 95.5 49.2 -66.1 -19.1 39.6 4.2 62.6 124 123 A K G < S+ 0 0 109 -3,-2.0 2,-0.3 -4,-0.1 -1,-0.3 0.233 97.6 87.6-102.9 10.6 40.5 4.5 66.3 125 124 A A < - 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0 0 67 -3,-1.0 4,-2.1 1,-0.1 3,-0.7 -0.765 48.9-177.3-131.4 95.6 -10.2 33.2 8.7 288 78 B P H 3> S+ 0 0 97 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.839 86.1 55.5 -54.7 -42.8 -8.7 35.5 11.3 289 79 B E H 3> S+ 0 0 68 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.889 110.3 45.6 -62.8 -36.4 -11.3 34.7 14.0 290 80 B E H <> S+ 0 0 36 -3,-0.7 4,-2.5 2,-0.2 -1,-0.2 0.850 110.2 54.3 -75.4 -31.9 -10.4 31.0 13.7 291 81 B K H X S+ 0 0 62 -4,-2.1 4,-2.4 -7,-0.3 -2,-0.2 0.938 110.0 47.1 -63.1 -45.3 -6.7 31.8 13.8 292 82 B N H X S+ 0 0 109 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.872 110.4 52.8 -66.0 -37.0 -7.2 33.8 17.0 293 83 B W H X S+ 0 0 80 -4,-1.8 4,-1.7 2,-0.2 -2,-0.2 0.949 110.9 46.6 -62.7 -48.2 -9.3 31.0 18.6 294 84 B L H X S+ 0 0 11 -4,-2.5 4,-2.9 1,-0.2 5,-0.2 0.929 112.8 49.2 -62.5 -41.1 -6.6 28.4 17.8 295 85 B N H X S+ 0 0 95 -4,-2.4 4,-3.3 1,-0.2 -1,-0.2 0.911 108.1 54.0 -64.2 -41.0 -3.8 30.6 19.2 296 86 B A H < S+ 0 0 72 -4,-2.3 -1,-0.2 2,-0.2 -2,-0.2 0.844 113.9 43.6 -60.9 -34.6 -5.8 31.3 22.4 297 87 B L H X S+ 0 0 41 -4,-1.7 4,-0.7 -5,-0.2 -2,-0.2 0.956 123.1 33.7 -74.2 -49.8 -6.1 27.5 22.8 298 88 B L H X S+ 0 0 24 -4,-2.9 4,-2.8 -5,-0.2 5,-0.3 0.824 100.9 73.3 -81.0 -33.8 -2.5 26.6 22.0 299 89 B H H X S+ 0 0 101 -4,-3.3 4,-2.6 -5,-0.2 5,-0.2 0.927 101.5 41.3 -51.1 -56.5 -0.5 29.5 23.3 300 90 B P H > S+ 0 0 56 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.899 115.8 51.7 -60.9 -34.9 -0.7 28.8 27.0 301 91 B L H X S+ 0 0 71 -4,-0.7 4,-2.5 2,-0.2 5,-0.2 0.922 110.7 47.3 -68.1 -42.6 -0.3 25.1 26.4 302 92 B I H X S+ 0 0 44 -4,-2.8 4,-2.2 2,-0.2 5,-0.2 0.886 111.1 52.8 -63.9 -40.0 2.9 25.7 24.4 303 93 B Q H X S+ 0 0 77 -4,-2.6 4,-2.5 -5,-0.3 -2,-0.2 0.956 113.6 42.9 -59.6 -49.3 4.1 28.1 27.1 304 94 B Q H X S+ 0 0 64 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.897 113.7 48.7 -67.6 -37.2 3.6 25.4 29.8 305 95 B E H X S+ 0 0 54 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.879 110.6 52.8 -71.5 -36.9 5.0 22.5 27.8 306 96 B T H X S+ 0 0 13 -4,-2.2 4,-2.2 -5,-0.2 -2,-0.2 0.958 112.2 44.3 -60.9 -51.4 8.1 24.5 26.9 307 97 B Q H X S+ 0 0 80 -4,-2.5 4,-2.8 -5,-0.2 -2,-0.2 0.924 111.5 55.2 -59.3 -42.9 8.7 25.4 30.6 308 98 B H H X S+ 0 0 64 -4,-2.6 4,-1.8 1,-0.2 -2,-0.2 0.945 110.3 44.3 -55.7 -45.2 8.0 21.7 31.5 309 99 B Q H X S+ 0 0 50 -4,-2.5 4,-1.0 2,-0.2 -1,-0.2 0.869 111.4 53.3 -70.2 -33.6 10.7 20.4 29.1 310 100 B I H >< S+ 0 0 18 -4,-2.2 3,-0.5 1,-0.2 -1,-0.2 0.923 109.0 50.6 -66.9 -38.9 13.2 23.1 30.2 311 101 B Q H 3< S+ 0 0 64 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.859 113.3 44.8 -65.4 -35.2 12.6 22.0 33.8 312 102 B Q H 3< S+ 0 0 38 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.552 87.4 108.8 -88.8 -6.5 13.2 18.3 33.0 313 103 B A << - 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0 0 19 -3,-1.7 -119,-0.2 1,-0.1 3,-0.1 -0.844 65.0-148.1-114.1 150.9 15.7 33.7 26.9 335 125 B N S S+ 0 0 77 -121,-2.1 2,-0.3 -2,-0.3 -120,-0.2 0.728 89.7 9.5 -85.2 -21.0 18.9 34.4 29.0 336 126 B R E S-g 215 0C 35 -122,-1.5 -120,-2.9 2,-0.0 2,-0.5 -0.984 70.6-141.6-154.6 148.1 21.0 34.6 25.8 337 127 B V E -g 216 0C 6 -2,-0.3 43,-2.5 -122,-0.2 44,-2.0 -0.976 10.9-170.3-124.4 127.9 20.3 34.7 22.1 338 128 B L E -gi 217 381C 0 -122,-3.4 -120,-2.1 -2,-0.5 2,-0.5 -0.960 7.3-161.5-111.8 125.0 22.2 33.0 19.3 339 129 B V E -gi 218 382C 0 42,-2.4 44,-2.6 -2,-0.5 2,-0.7 -0.942 12.3-145.7-106.9 131.0 21.5 33.8 15.7 340 130 B V E - i 0 383C 0 -122,-2.7 2,-0.4 -2,-0.5 -120,-0.4 -0.867 31.7-163.3 -90.0 118.6 22.6 31.5 12.8 341 131 B D E + i 0 384C 15 42,-2.8 44,-2.2 -2,-0.7 2,-0.3 -0.880 22.2 157.7-116.3 139.0 23.4 34.0 10.1 342 132 B V - 0 0 3 -2,-0.4 -122,-0.1 42,-0.2 -119,-0.1 -0.931 46.4 -86.8-142.2 168.6 23.8 33.6 6.4 343 133 B S > - 0 0 32 -2,-0.3 4,-2.1 1,-0.1 3,-0.3 -0.444 37.9-114.9 -75.7 161.7 23.5 36.0 3.4 344 134 B P H > S+ 0 0 58 0, 0.0 4,-2.5 0, 0.0 5,-0.1 0.903 119.1 60.4 -59.1 -34.6 20.1 36.5 1.8 345 135 B E H > S+ 0 0 66 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.909 104.0 48.3 -58.3 -45.4 21.6 34.8 -1.3 346 136 B T H > S+ 0 0 17 -3,-0.3 4,-2.4 2,-0.2 5,-0.3 0.902 109.1 53.2 -62.1 -41.2 22.3 31.6 0.8 347 137 B Q H X S+ 0 0 6 -4,-2.1 4,-1.7 1,-0.2 -2,-0.2 0.947 113.4 44.1 -59.2 -45.1 18.7 31.7 2.2 348 138 B L H X S+ 0 0 7 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.956 114.1 47.9 -64.3 -50.9 17.3 31.8 -1.4 349 139 B K H X S+ 0 0 118 -4,-3.0 4,-2.1 1,-0.2 -2,-0.2 0.904 113.5 46.1 -58.6 -50.1 19.6 29.2 -2.9 350 140 B R H X S+ 0 0 76 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.876 114.8 45.8 -63.0 -38.9 19.1 26.6 -0.1 351 141 B T H X S+ 0 0 4 -4,-1.7 4,-2.2 -5,-0.3 5,-0.3 0.916 110.6 53.3 -72.4 -39.5 15.4 26.9 -0.0 352 142 B M H X>S+ 0 0 58 -4,-2.7 4,-1.6 -5,-0.2 5,-0.7 0.900 111.6 48.1 -58.9 -39.4 15.1 26.8 -3.8 353 143 B Q H <5S+ 0 0 159 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.948 113.4 44.4 -68.2 -47.7 17.1 23.6 -3.8 354 144 B R H <5S+ 0 0 203 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.838 129.1 24.1 -65.5 -43.9 15.1 21.8 -1.1 355 145 B D H <5S- 0 0 84 -4,-2.2 -1,-0.2 -5,-0.1 -2,-0.2 0.468 96.6-126.7-102.1 -6.1 11.6 22.7 -2.3 356 146 B D T <5 + 0 0 148 -4,-1.6 2,-0.3 -5,-0.3 -3,-0.2 0.983 59.8 145.7 54.7 55.9 12.3 23.3 -6.0 357 147 B V < - 0 0 36 -5,-0.7 -1,-0.2 -6,-0.2 2,-0.1 -0.781 51.1 -94.5-116.3 165.6 10.6 26.7 -5.8 358 148 B T > - 0 0 80 -2,-0.3 4,-1.8 1,-0.1 5,-0.2 -0.413 29.8-113.6 -79.6 165.6 11.5 29.9 -7.7 359 149 B R H > S+ 0 0 82 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.922 118.4 54.0 -61.1 -43.7 13.7 32.7 -6.4 360 150 B E H > S+ 0 0 109 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.879 103.3 57.4 -61.6 -34.0 10.7 35.1 -6.2 361 151 B H H > S+ 0 0 88 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.959 111.2 41.4 -63.8 -43.3 8.9 32.6 -4.1 362 152 B V H X S+ 0 0 0 -4,-1.8 4,-2.3 1,-0.2 3,-0.4 0.896 108.3 59.9 -74.6 -35.9 11.6 32.6 -1.5 363 153 B E H X S+ 0 0 80 -4,-2.9 4,-2.1 1,-0.2 -1,-0.2 0.888 102.0 55.7 -56.7 -36.7 12.1 36.4 -1.7 364 154 B Q H X S+ 0 0 128 -4,-1.9 4,-1.0 1,-0.2 -1,-0.2 0.891 106.7 49.0 -62.6 -36.9 8.4 36.6 -0.6 365 155 B I H >X S+ 0 0 50 -4,-1.1 4,-1.6 -3,-0.4 3,-0.6 0.917 109.4 52.0 -69.2 -40.7 9.1 34.6 2.5 366 156 B L H 3< S+ 0 0 38 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.875 107.5 52.8 -61.3 -40.3 12.1 36.8 3.3 367 157 B A H 3< S+ 0 0 86 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.761 109.5 49.5 -65.9 -26.2 10.0 39.8 3.0 368 158 B A H << S+ 0 0 85 -4,-1.0 -1,-0.2 -3,-0.6 -2,-0.2 0.726 103.9 70.5 -83.6 -27.7 7.5 38.3 5.5 369 159 B Q S < S- 0 0 52 -4,-1.6 3,-0.1 1,-0.2 -149,-0.1 -0.383 100.8 -83.0 -85.7 166.0 10.1 37.4 8.1 370 160 B A - 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