==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 12-APR-10 3MJD . COMPND 2 MOLECULE: OROTATE PHOSPHORIBOSYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: FRANCISELLA TULARENSIS; . AUTHOR G.MINASOV,L.SHUVALOVA,I.DUBROVSKA,J.WINSOR,L.PAPAZISI, . 826 10 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 38601.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 588 71.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 88 10.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 60 7.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 0.7 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 . 49 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 295 35.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 23 2.8 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 2 1 6 0 4 3 0 5 0 3 1 3 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 8 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 PARALLEL BRIDGES PER LADDER . 8 0 4 0 4 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 . 4 0 0 0 4 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 -7 A N 0 0 205 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 127.0 80.6 83.0 13.6 2 -6 A L - 0 0 39 1,-0.1 3,-0.3 88,-0.1 299,-0.2 -0.365 360.0-130.9 -81.2 155.1 76.9 82.4 12.7 3 -5 A Y S S+ 0 0 107 297,-2.3 -1,-0.1 1,-0.2 299,-0.0 -0.439 81.6 38.0 -93.9 171.7 74.7 84.4 10.4 4 -4 A F S S+ 0 0 77 1,-0.2 2,-0.3 -2,-0.1 -1,-0.2 0.850 78.6 153.7 53.0 42.4 71.2 85.7 11.0 5 -3 A Q + 0 0 65 -3,-0.3 2,-0.3 295,-0.1 -1,-0.2 -0.697 8.8 144.4 -96.6 153.1 72.0 86.6 14.6 6 -2 A S - 0 0 100 -2,-0.3 0, 0.0 2,-0.1 0, 0.0 -0.960 53.7-129.2-175.2 163.6 70.1 89.4 16.5 7 -1 A N + 0 0 162 -2,-0.3 -1,-0.0 2,-0.0 -2,-0.0 0.231 62.0 139.2-104.1 7.3 68.7 90.5 19.8 8 0 A A - 0 0 48 1,-0.1 2,-0.2 2,-0.1 -2,-0.1 -0.168 56.3-116.5 -54.3 142.4 65.3 91.3 18.1 9 1 A M > - 0 0 104 1,-0.1 4,-1.7 777,-0.0 3,-0.3 -0.508 25.1-111.2 -79.1 155.6 62.3 90.3 20.1 10 2 A F H > S+ 0 0 14 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.870 112.5 57.3 -56.7 -43.2 60.0 87.7 18.6 11 3 A I H > S+ 0 0 20 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.914 107.5 48.0 -59.4 -41.9 57.0 90.0 17.9 12 4 A E H > S+ 0 0 88 -3,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.905 112.6 49.6 -62.4 -41.0 59.1 92.3 15.7 13 5 A F H X S+ 0 0 24 -4,-1.7 4,-1.5 1,-0.2 6,-0.2 0.893 112.3 47.8 -66.0 -39.9 60.5 89.2 13.9 14 6 A A H <>S+ 0 0 0 -4,-2.8 5,-2.0 2,-0.2 6,-1.2 0.913 112.1 49.0 -68.7 -42.1 57.0 87.9 13.3 15 7 A L H ><5S+ 0 0 40 -4,-2.7 3,-1.6 -5,-0.2 -2,-0.2 0.941 109.8 51.4 -61.7 -45.7 55.7 91.2 12.1 16 8 A K H 3<5S+ 0 0 163 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.829 113.1 45.5 -61.0 -34.7 58.5 91.7 9.6 17 9 A N T 3<5S- 0 0 37 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.153 113.1-114.1 -99.0 15.2 57.9 88.2 8.2 18 10 A Q T < 5S+ 0 0 107 -3,-1.6 -3,-0.2 2,-0.2 -2,-0.1 0.595 85.2 118.0 64.6 16.0 54.1 88.5 7.9 19 11 A V S - 0 0 52 4,-3.1 3,-2.1 -2,-0.7 -1,-0.0 -0.284 28.9-100.0 -69.1 163.6 38.6 82.4 12.0 28 20 A K T 3 S+ 0 0 228 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.827 124.4 56.7 -53.9 -34.0 37.2 79.2 10.6 29 21 A S T 3 S- 0 0 87 2,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.571 121.2-106.2 -74.9 -13.1 35.0 78.9 13.6 30 22 A G S < S+ 0 0 43 -3,-2.1 2,-0.1 1,-0.4 -2,-0.1 0.195 75.3 137.7 103.2 -17.3 33.4 82.3 13.0 31 23 A R - 0 0 42 -5,-0.1 -4,-3.1 1,-0.1 2,-0.8 -0.459 51.9-135.7 -62.5 135.5 35.2 84.1 15.8 32 24 A I E -A 26 0A 84 -6,-0.2 -6,-0.2 -2,-0.1 -1,-0.1 -0.853 24.5-163.8-101.9 107.7 36.4 87.5 14.6 33 25 A S E -A 25 0A 0 -8,-3.0 -8,-2.7 -2,-0.8 168,-0.1 -0.692 24.2-145.6 -96.2 139.4 40.0 88.0 15.8 34 26 A P E S+ 0 0 4 0, 0.0 -11,-2.2 0, 0.0 2,-0.3 0.448 85.7 45.0 -80.9 0.4 41.8 91.3 15.8 35 27 A Y E -A 22 0A 1 -13,-0.2 2,-0.4 -10,-0.2 -13,-0.2 -0.978 67.0-145.2-142.8 156.5 45.1 89.5 15.0 36 28 A F E +A 21 0A 60 -15,-2.6 -15,-2.0 -2,-0.3 2,-0.3 -0.959 19.6 178.7-117.1 135.2 46.4 86.9 12.6 37 29 A F E +A 20 0A 25 -2,-0.4 2,-0.2 -17,-0.2 -17,-0.2 -0.956 12.6 153.7-142.9 122.3 49.2 84.4 13.6 38 30 A N > - 0 0 64 -19,-2.0 3,-1.9 -2,-0.3 4,-0.1 -0.738 20.3-171.4-151.1 99.2 50.7 81.6 11.5 39 31 A A G > S+ 0 0 7 1,-0.3 3,-1.8 -2,-0.2 12,-0.1 0.629 80.0 83.0 -67.0 -11.1 54.2 80.4 12.2 40 32 A G G 3 S+ 0 0 32 1,-0.3 -1,-0.3 -21,-0.1 279,-0.1 0.776 76.9 70.7 -60.8 -24.9 53.9 78.3 9.0 41 33 A L G < + 0 0 55 -3,-1.9 2,-2.0 1,-0.2 -1,-0.3 0.536 69.2 90.4 -74.3 -7.0 54.9 81.5 7.1 42 34 A F < + 0 0 0 -3,-1.8 -1,-0.2 1,-0.2 278,-0.1 -0.612 58.1 151.2 -81.8 74.4 58.4 81.3 8.4 43 35 A N + 0 0 39 -2,-2.0 265,-1.9 276,-0.1 277,-0.4 0.052 36.5 70.8-108.3 24.1 59.1 79.2 5.3 44 36 A T B > S-B 307 0B 18 263,-0.3 4,-2.6 275,-0.1 3,-0.3 -0.891 89.6-104.4-128.0 162.4 62.8 79.8 4.4 45 37 A G H > S+ 0 0 0 261,-2.4 4,-2.7 -2,-0.3 5,-0.2 0.850 117.9 51.7 -56.8 -42.1 65.8 78.5 6.3 46 38 A A H > S+ 0 0 6 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.882 113.6 46.1 -65.4 -36.3 66.8 81.7 8.0 47 39 A Q H > S+ 0 0 23 -3,-0.3 4,-2.8 2,-0.2 -2,-0.2 0.928 114.5 46.0 -70.4 -45.3 63.2 82.1 9.3 48 40 A L H X S+ 0 0 3 -4,-2.6 4,-2.9 2,-0.2 -2,-0.2 0.910 112.4 52.2 -64.2 -41.0 63.0 78.5 10.5 49 41 A A H X S+ 0 0 2 -4,-2.7 4,-1.8 -5,-0.2 -1,-0.2 0.917 112.0 45.4 -61.5 -43.3 66.4 78.8 12.1 50 42 A T H X S+ 0 0 28 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.927 113.2 49.1 -69.9 -42.3 65.4 81.9 14.0 51 43 A L H X S+ 0 0 6 -4,-2.8 4,-2.0 1,-0.2 -2,-0.2 0.942 111.2 51.1 -57.5 -47.8 62.0 80.4 15.1 52 44 A A H X S+ 0 0 0 -4,-2.9 4,-2.8 1,-0.2 -1,-0.2 0.861 105.8 55.5 -59.4 -36.7 63.9 77.3 16.2 53 45 A D H X S+ 0 0 16 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.896 105.5 52.3 -64.4 -38.9 66.3 79.5 18.2 54 46 A Y H X S+ 0 0 35 -4,-1.8 4,-1.5 2,-0.2 -2,-0.2 0.916 113.0 44.1 -63.4 -41.7 63.3 81.1 20.1 55 47 A Y H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.919 110.5 56.1 -65.0 -46.4 62.0 77.7 21.0 56 48 A A H X S+ 0 0 0 -4,-2.8 4,-3.0 1,-0.2 -2,-0.2 0.895 105.8 51.3 -53.1 -41.9 65.6 76.6 21.9 57 49 A Q H X S+ 0 0 61 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.884 108.8 49.9 -65.7 -40.3 65.9 79.5 24.4 58 50 A L H X S+ 0 0 29 -4,-1.5 4,-0.6 2,-0.2 -1,-0.2 0.889 114.0 46.5 -60.6 -43.8 62.6 78.6 26.1 59 51 A I H >< S+ 0 0 3 -4,-2.2 3,-0.9 2,-0.2 -2,-0.2 0.922 111.1 50.3 -66.5 -47.5 63.8 75.0 26.4 60 52 A I H 3< S+ 0 0 72 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.902 112.5 47.7 -59.0 -41.0 67.3 76.0 27.7 61 53 A K H 3< S+ 0 0 104 -4,-2.2 2,-0.2 -5,-0.2 -1,-0.2 0.515 93.7 95.6 -79.6 -8.0 65.8 78.3 30.4 62 54 A S << - 0 0 15 -3,-0.9 691,-0.0 -4,-0.6 -3,-0.0 -0.598 62.3-150.0 -88.4 148.2 63.2 75.8 31.7 63 55 A D + 0 0 73 -2,-0.2 2,-0.2 2,-0.1 -1,-0.1 0.065 52.6 133.7 -99.6 21.4 63.7 73.5 34.7 64 56 A V - 0 0 11 -5,-0.2 2,-0.6 1,-0.1 82,-0.1 -0.554 58.2-128.6 -70.4 135.5 61.4 70.8 33.2 65 57 A K + 0 0 121 -2,-0.2 2,-0.3 80,-0.1 -2,-0.1 -0.833 48.4 141.1 -91.9 116.5 63.1 67.4 33.6 66 58 A Y - 0 0 51 -2,-0.6 51,-0.2 1,-0.1 3,-0.1 -0.960 40.8-156.2-149.6 163.6 63.2 65.6 30.3 67 59 A D S S+ 0 0 72 49,-3.4 2,-0.3 -2,-0.3 50,-0.2 0.726 75.0 26.0-110.2 -36.4 65.5 63.3 28.3 68 60 A I E -c 117 0C 7 48,-1.6 50,-2.0 27,-0.1 2,-0.6 -0.944 68.2-122.7-137.1 147.7 64.4 63.7 24.6 69 61 A L E -cd 118 97C 0 27,-2.2 29,-2.3 -2,-0.3 2,-0.5 -0.841 30.1-158.3 -91.2 124.6 62.7 66.2 22.3 70 62 A F E -cd 119 98C 0 48,-2.8 50,-2.7 -2,-0.6 29,-0.2 -0.930 8.7-169.9-110.1 123.1 59.7 64.6 20.7 71 63 A G E - d 0 99C 0 27,-2.6 29,-1.0 -2,-0.5 50,-0.1 -0.906 12.8-150.9-112.1 103.6 58.2 66.0 17.5 72 64 A P >> - 0 0 8 0, 0.0 4,-1.7 0, 0.0 5,-0.8 -0.432 39.8 -64.9 -71.8 149.4 54.9 64.6 16.5 73 65 A A T 45S+ 0 0 14 3,-0.2 2,-0.1 2,-0.2 28,-0.1 -0.522 103.7 8.9 -71.0 142.5 54.0 64.4 12.9 74 66 A Y T >45S+ 0 0 32 -2,-0.2 3,-0.6 26,-0.1 -1,-0.2 -0.896 132.5 15.9-101.6 -33.8 53.5 66.6 11.0 75 67 A K T 3>5S+ 0 0 89 1,-0.2 4,-1.1 2,-0.2 -2,-0.2 0.767 119.3 60.5 -70.6 -25.2 54.5 70.1 12.3 76 68 A G H 3X5S+ 0 0 0 -4,-1.7 4,-2.5 2,-0.2 5,-0.2 0.791 94.3 67.1 -71.2 -27.7 56.5 68.8 15.3 77 69 A I H <> S+ 0 0 13 0, 0.0 4,-2.7 0, 0.0 -1,-0.2 0.861 116.7 55.3 -62.4 -32.4 60.7 70.0 11.2 79 71 A L H X S+ 0 0 13 -4,-1.1 4,-2.9 2,-0.2 5,-0.2 0.930 110.6 42.8 -64.4 -45.7 60.6 72.0 14.5 80 72 A V H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 5,-0.2 0.897 114.2 51.6 -68.7 -39.1 62.4 69.3 16.5 81 73 A A H X S+ 0 0 0 -4,-2.5 4,-1.9 -5,-0.2 -2,-0.2 0.951 115.4 42.0 -60.8 -46.8 64.9 68.8 13.7 82 74 A A H X S+ 0 0 0 -4,-2.7 4,-2.8 -5,-0.2 -2,-0.2 0.899 115.7 49.2 -67.2 -41.8 65.6 72.6 13.4 83 75 A I H X S+ 0 0 0 -4,-2.9 4,-2.6 2,-0.2 -1,-0.2 0.904 111.0 49.0 -63.5 -43.9 65.7 73.0 17.2 84 76 A S H X S+ 0 0 0 -4,-2.7 4,-1.8 -5,-0.2 11,-0.3 0.898 112.0 50.7 -64.6 -37.5 68.1 70.1 17.7 85 77 A T H X S+ 0 0 0 -4,-1.9 4,-3.2 -5,-0.2 5,-0.3 0.943 111.2 46.9 -64.4 -48.7 70.3 71.6 14.9 86 78 A V H X>S+ 0 0 1 -4,-2.8 4,-2.9 1,-0.2 5,-1.1 0.900 108.8 55.1 -60.7 -40.7 70.3 75.0 16.5 87 79 A L H X5S+ 0 0 1 -4,-2.6 6,-2.5 3,-0.2 4,-0.8 0.922 115.9 38.6 -59.8 -42.9 71.1 73.6 20.0 88 80 A A H X5S+ 0 0 20 -4,-1.8 4,-0.8 4,-0.3 -2,-0.2 0.950 121.6 41.8 -70.7 -52.7 74.2 71.8 18.5 89 81 A L H <5S+ 0 0 52 -4,-3.2 -3,-0.2 -5,-0.2 -2,-0.2 0.897 131.4 19.4 -66.7 -44.5 75.3 74.6 16.1 90 82 A K H <5S+ 0 0 63 -4,-2.9 -3,-0.2 -5,-0.3 -2,-0.1 0.836 133.2 31.6 -98.6 -36.9 74.8 77.6 18.4 91 83 A Y H < + 0 0 3 -2,-0.3 3,-1.7 3,-0.1 31,-0.2 0.451 36.1 133.9 -95.8 -0.2 61.9 56.9 24.2 113 111 A T T 3 S- 0 0 53 1,-0.3 28,-0.2 29,-0.1 29,-0.1 -0.268 84.5 -2.4 -54.1 127.6 61.1 53.6 26.1 114 112 A N T 3 S+ 0 0 106 26,-1.7 -1,-0.3 1,-0.2 2,-0.3 0.846 113.7 117.7 57.8 38.7 61.0 54.4 29.8 115 113 A K < - 0 0 87 -3,-1.7 28,-2.6 25,-0.2 2,-0.4 -0.809 64.5-117.3-130.0 171.6 62.0 58.0 29.2 116 114 A K E - f 0 143C 78 -2,-0.3 -49,-3.4 26,-0.2 -48,-1.6 -0.920 33.1-168.9-111.1 133.6 60.7 61.6 29.7 117 115 A V E -cf 68 144C 0 26,-3.0 28,-3.3 -2,-0.4 29,-0.7 -0.879 24.1-137.5-126.4 156.2 60.1 63.8 26.7 118 116 A L E -cf 69 146C 3 -50,-2.0 -48,-2.8 -2,-0.3 2,-0.5 -0.963 28.7-139.4-107.9 117.5 59.3 67.4 25.9 119 117 A L E -cf 70 147C 3 27,-2.6 29,-2.2 -2,-0.6 2,-0.5 -0.725 18.2-163.2 -84.6 122.3 56.6 67.5 23.2 120 118 A I E + f 0 148C 0 -50,-2.7 2,-0.3 -2,-0.5 29,-0.2 -0.901 22.2 142.3-110.6 133.1 57.3 70.2 20.6 121 119 A D - 0 0 28 27,-2.5 29,-0.2 -2,-0.5 3,-0.1 -0.893 51.2-112.4-155.5 177.9 54.6 71.5 18.2 122 120 A D S S- 0 0 15 1,-0.3 28,-2.3 -2,-0.3 29,-0.9 0.947 87.5 -10.7 -82.1 -67.5 53.3 74.6 16.5 123 121 A V - 0 0 55 26,-0.2 2,-0.3 27,-0.1 -1,-0.3 -0.870 47.9-150.5-133.3 162.7 49.9 75.2 18.0 124 122 A M + 0 0 22 27,-0.4 41,-0.3 -2,-0.3 40,-0.2 -0.794 29.7 154.2-137.8 96.0 47.5 73.4 20.3 125 123 A T S S+ 0 0 104 -2,-0.3 33,-0.4 39,-0.1 2,-0.3 0.694 71.9 20.1 -93.2 -26.5 43.9 74.4 19.5 126 124 A A S S- 0 0 36 31,-0.1 4,-0.4 38,-0.1 3,-0.2 -0.881 73.6-122.9-137.5 164.8 42.2 71.2 20.7 127 125 A G S > S+ 0 0 24 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.516 91.0 91.3 -87.9 -8.1 43.3 68.4 23.1 128 126 A T H > S+ 0 0 98 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.916 87.6 47.0 -51.0 -51.4 42.8 65.7 20.4 129 127 A A H > S+ 0 0 40 -3,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.886 110.1 50.1 -60.8 -48.2 46.4 65.9 19.2 130 128 A F H > S+ 0 0 4 -4,-0.4 4,-2.9 1,-0.2 -1,-0.2 0.904 109.1 54.5 -59.4 -42.0 48.0 65.9 22.7 131 129 A Y H X S+ 0 0 92 -4,-2.3 4,-2.8 1,-0.2 5,-0.2 0.886 102.9 54.9 -60.8 -40.6 46.0 62.8 23.5 132 130 A E H X S+ 0 0 99 -4,-1.7 4,-2.3 2,-0.2 -1,-0.2 0.945 113.6 42.1 -58.6 -45.3 47.2 60.9 20.4 133 131 A S H X S+ 0 0 6 -4,-1.8 4,-2.7 2,-0.2 5,-0.3 0.931 113.6 52.1 -66.3 -45.9 50.8 61.5 21.5 134 132 A Y H X S+ 0 0 75 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.935 112.7 44.8 -54.8 -49.8 50.1 60.7 25.2 135 133 A N H X S+ 0 0 83 -4,-2.8 4,-1.2 1,-0.2 -1,-0.2 0.912 114.3 48.1 -63.4 -45.0 48.4 57.4 24.3 136 134 A K H < S+ 0 0 54 -4,-2.3 4,-0.5 -5,-0.2 -1,-0.2 0.882 115.2 44.7 -64.7 -41.1 51.1 56.3 21.8 137 135 A L H ><>S+ 0 0 1 -4,-2.7 5,-2.7 1,-0.2 3,-1.1 0.832 104.3 62.6 -72.5 -36.0 53.9 57.1 24.2 138 136 A K H ><5S+ 0 0 132 -4,-2.3 3,-1.9 -5,-0.3 -1,-0.2 0.867 93.2 65.2 -58.4 -34.7 52.2 55.5 27.2 139 137 A I T 3<5S+ 0 0 144 -4,-1.2 -1,-0.3 1,-0.3 -2,-0.2 0.846 109.5 37.8 -57.7 -32.1 52.3 52.2 25.3 140 138 A I T < 5S- 0 0 40 -3,-1.1 -26,-1.7 -4,-0.5 -1,-0.3 0.157 119.3-109.0-105.2 19.7 56.2 52.4 25.6 141 139 A N T < 5 + 0 0 98 -3,-1.9 2,-0.4 1,-0.2 -3,-0.2 0.837 69.6 147.8 55.6 38.2 56.2 53.9 29.1 142 140 A A < - 0 0 6 -5,-2.7 2,-0.4 -28,-0.2 -1,-0.2 -0.847 34.7-149.7 -99.9 137.9 57.3 57.2 27.8 143 141 A K E -f 116 0C 112 -28,-2.6 -26,-3.0 -2,-0.4 2,-0.7 -0.918 11.0-132.7-115.0 135.2 56.0 60.3 29.7 144 142 A I E -f 117 0C 17 -2,-0.4 -26,-0.2 -28,-0.2 3,-0.1 -0.771 22.9-179.0 -82.3 115.7 55.4 63.8 28.4 145 143 A A E - 0 0 14 -28,-3.3 2,-0.3 -2,-0.7 -27,-0.2 0.636 61.9 -23.1 -91.8 -17.0 57.0 66.2 30.9 146 144 A G E -f 118 0C 0 -29,-0.7 -27,-2.6 28,-0.2 2,-0.4 -0.964 56.8-120.8 179.6 171.1 55.9 69.4 29.1 147 145 A V E -fg 119 176C 0 28,-1.7 30,-3.4 -2,-0.3 2,-0.4 -0.974 13.5-161.5-132.6 142.0 54.9 71.0 25.9 148 146 A V E +fg 120 177C 0 -29,-2.2 -27,-2.5 -2,-0.4 2,-0.3 -0.997 17.9 171.8-128.9 128.2 56.5 73.9 23.9 149 147 A L E - g 0 178C 1 28,-2.4 30,-2.1 -2,-0.4 -27,-0.2 -0.791 42.7-119.3-128.4 166.7 54.5 75.8 21.2 150 148 A S E S+ 0 0 0 -28,-2.3 30,-1.6 -2,-0.3 2,-0.3 0.841 96.5 9.2 -74.6 -36.4 54.9 78.9 19.0 151 149 A I E - g 0 180C 8 -29,-0.9 2,-0.5 28,-0.2 -27,-0.4 -0.999 51.1-155.3-148.9 144.9 51.9 80.6 20.6 152 150 A D E - 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0 0 5 -7,-0.3 4,-2.1 -2,-0.3 5,-0.2 -0.315 37.1-117.5 -70.7 159.1 41.9 76.8 26.5 164 162 A A H > S+ 0 0 10 -9,-0.4 4,-1.8 -39,-0.2 -39,-0.1 0.880 116.7 52.8 -63.8 -34.8 43.1 73.5 25.3 165 163 A T H > S+ 0 0 3 -41,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.868 107.5 49.4 -70.4 -38.8 46.5 74.2 26.9 166 164 A K H > S+ 0 0 49 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.916 109.4 52.3 -65.3 -41.4 45.0 75.0 30.3 167 165 A K H X S+ 0 0 92 -4,-2.1 4,-2.8 2,-0.2 5,-0.3 0.912 110.2 48.9 -62.0 -39.7 43.0 71.8 30.2 168 166 A I H X S+ 0 0 2 -4,-1.8 4,-2.6 2,-0.2 5,-0.4 0.944 111.0 49.6 -64.4 -45.7 46.2 69.9 29.4 169 167 A S H X S+ 0 0 8 -4,-2.5 4,-1.2 1,-0.2 5,-0.3 0.910 116.7 43.0 -58.0 -43.3 48.1 71.6 32.3 170 168 A Q H < S+ 0 0 87 -4,-2.6 -2,-0.2 2,-0.2 -1,-0.2 0.928 119.6 39.7 -68.2 -48.8 45.2 70.8 34.7 171 169 A D H < S+ 0 0 65 -4,-2.8 -2,-0.2 -5,-0.2 -3,-0.2 0.791 130.2 27.3 -76.0 -28.8 44.6 67.2 33.6 172 170 A F H < S- 0 0 36 -4,-2.6 -3,-0.2 -5,-0.3 -1,-0.2 0.484 96.2-131.3-111.4 -6.7 48.2 66.1 33.1 173 171 A N < + 0 0 13 -4,-1.2 -4,-0.2 -5,-0.4 -3,-0.2 0.924 62.5 123.4 51.8 57.0 50.0 68.5 35.6 174 172 A I - 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0 0 99 -2,-0.2 4,-2.3 1,-0.1 3,-0.3 -0.135 38.5-105.4 -72.1 164.4 39.5 49.8 82.8 608 193 C E H > S+ 0 0 165 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.778 117.8 58.6 -59.7 -31.5 41.5 48.0 85.4 609 194 C T H > S+ 0 0 90 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.928 109.6 43.0 -66.5 -44.7 43.6 46.2 82.8 610 195 C M H > S+ 0 0 24 -3,-0.3 4,-2.3 2,-0.2 -2,-0.2 0.880 111.5 54.7 -68.0 -40.2 44.7 49.5 81.2 611 196 C I H X S+ 0 0 32 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.917 109.9 47.2 -59.3 -42.8 45.4 51.1 84.6 612 197 C D H X S+ 0 0 81 -4,-2.1 4,-2.7 2,-0.2 -1,-0.2 0.855 107.4 56.0 -68.0 -37.2 47.6 48.1 85.5 613 198 C K H X S+ 0 0 63 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.905 109.5 47.6 -59.3 -45.4 49.5 48.4 82.1 614 199 C F H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.919 111.0 50.4 -61.6 -44.1 50.3 52.0 83.0 615 200 C K H X S+ 0 0 98 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.931 112.1 47.2 -60.5 -47.0 51.4 51.1 86.5 616 201 C Q H X S+ 0 0 75 -4,-2.7 4,-1.6 1,-0.2 -1,-0.2 0.868 111.3 51.4 -61.1 -42.0 53.8 48.4 85.2 617 202 C Y H X S+ 0 0 10 -4,-2.1 4,-3.0 -5,-0.2 5,-0.4 0.924 109.9 49.7 -63.0 -45.1 55.2 50.7 82.5 618 203 C R H X S+ 0 0 116 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.887 108.8 51.3 -62.9 -40.2 55.9 53.4 85.0 619 204 C Q H < S+ 0 0 135 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.849 118.1 39.0 -69.9 -29.4 57.7 51.0 87.4 620 205 C K H < S+ 0 0 123 -4,-1.6 -2,-0.2 -5,-0.2 -1,-0.2 0.905 137.1 10.1 -82.1 -42.1 59.9 49.8 84.6 621 206 C Y H < S+ 0 0 67 -4,-3.0 -52,-2.7 -5,-0.2 -3,-0.2 0.500 88.5 122.0-121.4 -6.8 60.6 52.9 82.7 622 207 C G B < Y 568 0M 23 -4,-2.1 -54,-0.3 -5,-0.4 -55,-0.1 -0.274 360.0 360.0 -63.8 146.6 59.4 56.0 84.6 623 208 C S 0 0 60 -56,-2.5 -47,-0.2 -57,-0.1 -55,-0.2 0.054 360.0 360.0-115.6 360.0 61.9 58.7 85.5 624 !* 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 0.0 625 -9 D T 0 0 114 0, 0.0 3,-0.3 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 -19.5 37.2 84.0 67.7 626 -8 D E + 0 0 174 1,-0.3 -123,-0.0 -123,-0.0 3,-0.0 -0.775 360.0 17.8 176.9 142.0 36.3 87.3 69.4 627 -7 D N S S- 0 0 144 -2,-0.2 -1,-0.3 -125,-0.1 2,-0.2 0.398 75.2-177.5 -96.3 134.8 37.2 89.8 70.6 628 -6 D L - 0 0 18 -3,-0.3 3,-0.2 1,-0.1 -125,-0.2 -0.537 16.3-131.5 -91.7 155.0 40.6 89.9 69.0 629 -5 D Y S S+ 0 0 107 -127,-2.0 -1,-0.1 -128,-0.3 -125,-0.1 -0.445 79.1 39.0 -97.8 172.7 43.5 92.4 69.4 630 -4 D F 0 0 80 1,-0.2 -1,-0.2 -2,-0.1 -128,-0.1 0.911 360.0 360.0 52.7 50.4 45.6 94.3 66.9 631 -3 D Q 0 0 127 -3,-0.2 -1,-0.2 -129,-0.0 44,-0.0 -0.630 360.0 360.0-108.2 360.0 42.7 94.8 64.5 632 ! 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 0.0 633 0 D A 0 0 118 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-132.0 44.2 100.6 57.1 634 1 D M > - 0 0 88 1,-0.1 4,-1.7 0, 0.0 3,-0.4 -0.675 360.0-113.8-105.4 159.6 46.1 99.4 54.0 635 2 D F H > S+ 0 0 15 -2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.804 109.3 59.4 -58.5 -40.1 49.2 97.2 53.6 636 3 D I H > S+ 0 0 14 2,-0.2 4,-3.0 1,-0.2 -1,-0.2 0.927 107.9 47.1 -58.5 -44.6 51.6 99.8 52.3 637 4 D E H > S+ 0 0 95 -3,-0.4 4,-3.5 2,-0.2 5,-0.2 0.933 112.8 49.6 -60.9 -45.0 51.1 101.9 55.4 638 5 D F H X S+ 0 0 28 -4,-1.7 4,-1.6 1,-0.2 -2,-0.2 0.914 114.4 44.9 -59.9 -44.4 51.6 98.8 57.6 639 6 D A H <>S+ 0 0 0 -4,-3.1 5,-1.8 2,-0.2 6,-1.2 0.878 115.4 47.3 -66.2 -41.9 54.8 98.0 55.6 640 7 D L H ><5S+ 0 0 38 -4,-3.0 3,-1.7 -5,-0.2 -2,-0.2 0.951 109.0 53.8 -66.3 -46.9 56.0 101.6 55.8 641 8 D K H 3<5S+ 0 0 144 -4,-3.5 -2,-0.2 1,-0.3 -1,-0.2 0.877 113.3 44.3 -53.8 -39.6 55.3 101.9 59.5 642 9 D N T 3<5S- 0 0 36 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.276 112.4-112.3 -95.5 12.5 57.4 98.7 60.2 643 10 D Q T < 5S+ 0 0 107 -3,-1.7 -3,-0.2 2,-0.2 -2,-0.1 0.569 84.9 118.4 70.0 11.9 60.4 99.4 58.0 644 11 D V S - 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0 0 5 -7,-0.3 4,-2.2 -2,-0.3 -7,-0.2 -0.276 33.7-122.6 -68.9 154.1 59.0 88.3 35.4 789 162 D A H > S+ 0 0 8 -9,-0.4 4,-2.2 -40,-0.2 5,-0.2 0.864 113.6 54.4 -63.4 -38.1 59.4 84.8 36.9 790 163 D T H > S+ 0 0 5 -41,-0.4 4,-2.5 -10,-0.2 -1,-0.2 0.910 109.7 45.8 -64.2 -42.1 55.9 85.2 38.4 791 164 D K H > S+ 0 0 45 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.936 111.7 51.9 -68.2 -42.8 54.3 86.0 35.1 792 165 D K H X S+ 0 0 43 -4,-2.2 4,-3.0 2,-0.2 5,-0.2 0.894 112.5 45.4 -59.3 -43.0 56.2 83.1 33.4 793 166 D I H X S+ 0 0 3 -4,-2.2 4,-2.5 2,-0.2 5,-0.3 0.931 112.1 51.2 -67.0 -44.9 55.0 80.6 36.1 794 167 D S H X>S+ 0 0 37 -4,-2.5 5,-1.2 -5,-0.2 4,-0.8 0.905 117.9 39.2 -58.4 -42.7 51.4 81.9 35.9 795 168 D Q H <5S+ 0 0 25 -4,-2.5 3,-0.2 -5,-0.2 -2,-0.2 0.952 117.1 46.7 -72.9 -51.4 51.4 81.5 32.2 796 169 D D H <5S+ 0 0 8 -4,-3.0 -620,-2.7 1,-0.2 -2,-0.2 0.845 124.9 31.3 -61.8 -37.8 53.3 78.3 31.8 797 170 D F H <5S- 0 0 15 -4,-2.5 -1,-0.2 -622,-0.2 -2,-0.2 0.475 101.9-129.0-100.0 -5.2 51.3 76.4 34.6 798 171 D N T <5 + 0 0 23 -4,-0.8 -3,-0.2 -5,-0.3 -4,-0.1 0.935 65.3 121.0 52.6 53.8 48.0 78.3 34.0 799 172 D I < - 0 0 19 -5,-1.2 -1,-0.2 -6,-0.3 2,-0.2 -0.964 68.1 -96.8-138.4 155.2 47.5 79.2 37.6 800 173 D P - 0 0 52 0, 0.0 -28,-2.3 0, 0.0 2,-0.6 -0.523 24.3-160.0 -75.0 139.9 47.1 82.5 39.5 801 174 D V E -e 772 0O 21 -30,-0.2 2,-0.2 -2,-0.2 -28,-0.2 -0.956 23.1-174.7-119.0 100.5 50.2 84.0 41.1 802 175 D L E -e 773 0O 36 -30,-3.3 -28,-2.6 -2,-0.6 2,-0.3 -0.622 10.2-166.0 -99.3 156.1 48.8 86.5 43.7 803 176 D A E -e 774 0O 23 -30,-0.2 -28,-0.2 -2,-0.2 -27,-0.1 -0.999 30.6-133.0-146.5 142.4 50.6 88.9 45.9 804 177 D V E S+ 0 0 27 -30,-2.4 2,-0.3 -2,-0.3 -28,-0.2 0.885 98.4 1.6 -59.9 -36.8 49.6 91.0 49.0 805 178 D T E S-e 776 0O 6 -30,-1.5 -28,-1.7 -31,-0.1 2,-0.3 -0.907 70.7-169.0-141.4 169.6 51.3 94.0 47.2 806 179 D N E > -e 777 0O 40 -2,-0.3 4,-2.4 -30,-0.2 3,-0.5 -0.977 41.9 -92.5-155.9 167.0 53.0 94.7 43.9 807 180 D F H > S+ 0 0 9 -30,-1.9 4,-2.6 -2,-0.3 5,-0.2 0.829 120.7 56.7 -51.6 -39.6 55.1 97.3 42.0 808 181 D E H > S+ 0 0 69 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.914 109.6 43.7 -61.1 -45.9 51.9 98.8 40.5 809 182 D S H > S+ 0 0 58 -3,-0.5 4,-1.3 2,-0.2 -2,-0.2 0.914 115.2 48.7 -66.9 -42.8 50.4 99.5 44.0 810 183 D I H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.894 111.3 50.7 -62.3 -40.0 53.7 100.8 45.3 811 184 D F H X S+ 0 0 7 -4,-2.6 4,-2.0 -5,-0.3 -1,-0.2 0.851 106.6 54.1 -68.8 -34.2 54.1 103.1 42.3 812 185 D E H X S+ 0 0 70 -4,-1.8 4,-1.2 2,-0.2 -1,-0.2 0.793 109.7 49.4 -67.2 -30.3 50.5 104.5 42.7 813 186 D Y H < S+ 0 0 66 -4,-1.3 -2,-0.2 2,-0.2 -1,-0.2 0.922 109.0 50.3 -73.1 -46.1 51.5 105.3 46.2 814 187 D V H >X S+ 0 0 0 -4,-2.3 4,-2.0 1,-0.2 3,-1.3 0.856 104.4 60.5 -61.4 -36.6 54.8 107.1 45.2 815 188 D K H 3< S+ 0 0 89 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.960 112.5 36.3 -52.8 -54.0 52.9 109.1 42.6 816 189 D E T 3< S+ 0 0 150 -4,-1.2 -1,-0.3 1,-0.2 -2,-0.2 0.160 128.8 30.6 -89.9 18.1 50.7 110.8 45.2 817 190 D N T <4 S+ 0 0 91 -3,-1.3 2,-0.2 -4,-0.1 -2,-0.2 0.538 98.7 66.5-151.7 -9.1 53.3 111.1 48.0 818 191 D L S < S- 0 0 61 -4,-2.0 -1,-0.1 -3,-0.1 5,-0.1 -0.739 75.2 -72.8-129.5 173.2 57.0 111.5 47.0 819 192 D D >> - 0 0 108 -2,-0.2 4,-1.9 1,-0.1 3,-0.7 -0.159 39.4-119.6 -58.7 144.5 59.7 113.7 45.3 820 193 D E H 3> S+ 0 0 127 1,-0.3 4,-1.7 2,-0.2 5,-0.2 0.822 113.4 58.5 -53.6 -39.7 59.9 114.2 41.6 821 194 D T H 3> S+ 0 0 86 1,-0.2 4,-1.4 2,-0.2 -1,-0.3 0.893 107.0 48.1 -59.6 -40.3 63.4 112.6 41.5 822 195 D M H <> S+ 0 0 32 -3,-0.7 4,-2.5 2,-0.2 -2,-0.2 0.919 107.3 53.3 -68.0 -46.7 62.0 109.4 42.9 823 196 D I H X S+ 0 0 18 -4,-1.9 4,-3.2 1,-0.2 -1,-0.2 0.857 111.3 47.3 -59.3 -36.4 59.0 109.2 40.5 824 197 D D H X S+ 0 0 69 -4,-1.7 4,-2.3 2,-0.2 -1,-0.2 0.822 108.3 54.6 -73.0 -33.0 61.4 109.4 37.5 825 198 D K H X S+ 0 0 32 -4,-1.4 4,-1.3 -5,-0.2 -2,-0.2 0.906 114.3 42.8 -63.9 -40.5 63.6 106.8 39.2 826 199 D F H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 5,-0.2 0.959 112.0 51.8 -66.5 -55.8 60.4 104.6 39.3 827 200 D K H X S+ 0 0 104 -4,-3.2 4,-2.3 1,-0.3 -2,-0.2 0.914 116.0 40.9 -48.7 -51.1 59.2 105.5 35.7 828 201 D Q H X S+ 0 0 124 -4,-2.3 4,-2.9 2,-0.2 -1,-0.3 0.804 109.3 59.9 -71.4 -29.1 62.5 104.6 34.2 829 202 D Y H X>S+ 0 0 8 -4,-1.3 4,-3.7 -5,-0.2 5,-0.6 0.952 110.3 43.2 -61.7 -46.5 62.9 101.5 36.5 830 203 D R H X5S+ 0 0 96 -4,-2.7 4,-2.1 3,-0.2 -2,-0.2 0.924 114.6 49.1 -61.3 -49.7 59.7 100.2 34.9 831 204 D Q H <5S+ 0 0 166 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.885 120.3 38.3 -56.8 -41.6 60.7 101.2 31.4 832 205 D K H <5S+ 0 0 124 -4,-2.9 -2,-0.2 -5,-0.1 -1,-0.2 0.930 140.4 4.6 -76.4 -48.9 64.1 99.6 31.9 833 206 D Y H <5S+ 0 0 48 -4,-3.7 -52,-3.4 -5,-0.3 -3,-0.2 0.529 90.1 125.8-119.9 -9.9 63.2 96.4 33.9 834 207 D G B << F 780 0P 19 -4,-2.1 -54,-0.3 -5,-0.6 -55,-0.1 -0.159 360.0 360.0 -57.5 145.0 59.4 96.3 34.2 835 208 D S 0 0 52 -56,-2.7 -1,-0.1 -57,-0.1 -48,-0.1 -0.691 360.0 360.0-104.6 360.0 57.5 93.2 33.1