==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 10-JAN-12 4D8F . COMPND 2 MOLECULE: RIBONUCLEOSIDE-DIPHOSPHATE REDUCTASE SUBUNIT BETA . SOURCE 2 ORGANISM_SCIENTIFIC: CHLAMYDIA TRACHOMATIS; . AUTHOR L.M.K.DASSAMA,A.K.BOAL,C.KREBS,A.C.ROSENZWEIG,J.M.BOLLINGER . 1315 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 48710.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 975 74.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 0.6 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 . 4 0.3 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 . 40 3.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 155 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 715 54.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 48 3.7 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 7 4 0 1 3 1 0 4 1 2 5 4 0 0 4 0 0 0 0 0 0 4 0 4 4 0 4 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 -6 A L 0 0 230 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 168.3 39.8 30.0 -39.7 2 -5 A V - 0 0 90 1,-0.0 3,-0.1 0, 0.0 402,-0.1 -0.952 360.0 -97.6-131.8 146.0 40.5 27.5 -36.9 3 -4 A P > - 0 0 28 0, 0.0 3,-1.1 0, 0.0 402,-0.1 -0.237 49.7 -86.1 -65.2 154.7 43.9 26.3 -35.4 4 -3 A R T 3 S+ 0 0 202 1,-0.2 0, 0.0 2,-0.1 0, 0.0 -0.266 111.8 24.6 -54.5 138.4 45.6 23.1 -36.5 5 -2 A G T 3 S+ 0 0 26 -3,-0.1 -1,-0.2 1,-0.1 404,-0.0 0.632 75.5 131.5 80.0 15.7 44.5 20.0 -34.6 6 -1 A S < + 0 0 4 -3,-1.1 2,-0.4 -4,-0.1 -2,-0.1 0.387 59.2 71.6 -79.1 3.0 41.0 21.3 -33.6 7 0 A H S S- 0 0 99 467,-0.1 2,-0.3 471,-0.0 410,-0.1 -0.936 80.2-124.4-122.2 143.6 39.3 18.1 -34.8 8 1 A M - 0 0 16 -2,-0.4 2,-0.5 409,-0.1 -2,-0.1 -0.680 28.0-134.6 -79.0 135.9 39.3 14.6 -33.4 9 2 A Q - 0 0 145 -2,-0.3 2,-0.2 2,-0.0 4,-0.0 -0.827 17.2-128.9 -94.0 129.1 40.5 12.0 -36.0 10 3 A A - 0 0 16 -2,-0.5 476,-0.2 1,-0.1 3,-0.2 -0.482 22.0-175.6 -71.5 141.8 38.4 8.9 -36.3 11 4 A D S S+ 0 0 65 474,-2.4 2,-0.5 -2,-0.2 475,-0.2 0.240 86.0 64.7-113.7 4.0 40.0 5.4 -36.1 12 5 A I S > S- 0 0 36 473,-1.7 3,-2.8 475,-0.0 2,-2.7 -0.811 73.6-175.0-117.2 81.8 36.7 3.8 -36.9 13 6 A L T 3 S+ 0 0 154 -2,-0.5 472,-0.1 1,-0.3 473,-0.0 -0.218 79.4 54.2 -81.0 53.8 36.5 5.4 -40.4 14 7 A D T > S+ 0 0 106 -2,-2.7 3,-0.8 470,-0.2 -1,-0.3 0.223 82.6 83.4-169.5 -22.9 33.1 3.9 -40.7 15 8 A G G X + 0 0 1 -3,-2.8 3,-1.6 1,-0.2 -2,-0.1 0.606 69.5 81.5 -81.0 -14.5 31.5 5.3 -37.6 16 9 A K G > S+ 0 0 97 -4,-0.3 3,-1.6 1,-0.3 -1,-0.2 0.728 78.3 71.1 -62.2 -23.0 30.6 8.6 -39.3 17 10 A Q G < S+ 0 0 158 -3,-0.8 -1,-0.3 1,-0.3 -2,-0.1 0.741 87.9 65.3 -63.5 -24.0 27.6 6.9 -40.8 18 11 A K G < S+ 0 0 107 -3,-1.6 16,-0.3 -4,-0.1 -1,-0.3 0.479 72.3 118.6 -81.1 -4.7 26.1 6.9 -37.2 19 12 A R S < S- 0 0 66 -3,-1.6 2,-0.4 -4,-0.1 459,-0.1 -0.403 75.9-105.0 -58.1 138.1 25.9 10.8 -37.2 20 13 A V - 0 0 5 19,-0.3 2,-0.8 457,-0.1 -1,-0.1 -0.573 19.7-140.8 -80.0 123.7 22.3 11.8 -36.8 21 14 A N >> - 0 0 96 -2,-0.4 3,-2.1 1,-0.2 4,-0.6 -0.757 15.4-143.3 -77.1 110.3 20.4 13.1 -39.9 22 15 A L G >4 S+ 0 0 63 -2,-0.8 3,-1.4 1,-0.3 -1,-0.2 0.853 97.4 50.9 -39.9 -52.5 18.3 15.9 -38.4 23 16 A N G 34 S+ 0 0 115 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.0 0.569 99.2 65.5 -73.7 -9.8 15.3 15.2 -40.7 24 17 A S G <4 S+ 0 0 28 -3,-2.1 -1,-0.3 2,-0.0 -2,-0.2 0.693 81.5 105.4 -76.1 -22.3 15.3 11.5 -39.8 25 18 A K << + 0 0 4 -3,-1.4 2,-0.3 -4,-0.6 88,-0.1 -0.309 47.5 178.8 -70.5 142.0 14.3 12.4 -36.1 26 19 A R - 0 0 99 86,-0.5 4,-0.2 1,-0.1 222,-0.1 -0.961 37.0-123.8-140.8 155.9 10.8 11.8 -34.9 27 20 A L S S+ 0 0 0 -2,-0.3 85,-1.3 220,-0.2 2,-0.3 0.891 94.3 16.3 -68.5 -42.9 8.9 12.3 -31.6 28 21 A V S S+ 0 0 5 83,-0.2 83,-0.1 1,-0.1 3,-0.1 -0.873 120.4 20.3-127.4 162.5 7.8 8.7 -31.4 29 22 A N S S+ 0 0 58 81,-0.5 2,-1.0 -2,-0.3 -1,-0.1 0.729 74.6 145.6 58.5 27.9 8.7 5.3 -32.9 30 23 A C + 0 0 6 -4,-0.2 -1,-0.2 1,-0.2 5,-0.1 -0.761 3.9 136.9-102.9 89.0 12.1 6.5 -34.0 31 24 A N + 0 0 143 -2,-1.0 -1,-0.2 1,-0.1 -2,-0.1 0.219 55.1 80.4-115.0 13.0 14.5 3.6 -33.7 32 25 A Q S S+ 0 0 132 -8,-0.2 2,-0.3 -3,-0.1 -1,-0.1 0.706 92.9 55.2 -80.4 -24.2 16.4 4.1 -37.0 33 26 A V S S- 0 0 31 -9,-0.1 2,-0.8 -13,-0.0 -13,-0.1 -0.821 97.6 -93.7-124.8 147.3 18.5 6.8 -35.4 34 27 A D > - 0 0 34 -16,-0.3 3,-0.6 -2,-0.3 -14,-0.1 -0.461 33.9-172.1 -65.6 103.3 20.8 7.1 -32.3 35 28 A V T 3 S+ 0 0 37 -2,-0.8 -1,-0.2 1,-0.2 78,-0.0 0.634 76.4 67.6 -73.6 -16.4 18.6 8.5 -29.5 36 29 A N T 3 S+ 0 0 35 77,-0.0 2,-0.5 78,-0.0 -1,-0.2 0.838 82.2 84.2 -72.0 -35.5 21.5 9.0 -27.1 37 30 A Q < - 0 0 2 -3,-0.6 388,-0.1 1,-0.2 444,-0.0 -0.603 63.7-160.4 -74.5 118.4 23.1 11.8 -29.1 38 31 A L + 0 0 2 -2,-0.5 77,-0.3 386,-0.3 -1,-0.2 0.885 51.5 115.0 -63.3 -41.1 21.5 15.2 -28.4 39 32 A V + 0 0 0 437,-0.2 -19,-0.3 1,-0.1 2,-0.1 -0.551 54.2 35.8 -94.9 153.6 22.6 16.9 -31.6 40 33 A P S S- 0 0 14 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.534 82.6-143.6 -78.6 137.5 21.5 18.0 -34.1 41 34 A I + 0 0 22 1,-0.2 3,-0.2 -2,-0.1 -2,-0.1 -0.527 25.3 173.0 -67.6 122.6 18.5 19.4 -32.3 42 35 A K + 0 0 52 -2,-0.3 2,-1.4 1,-0.2 -1,-0.2 0.856 67.1 58.4 -92.8 -52.3 15.4 19.2 -34.5 43 36 A Y >> + 0 0 17 1,-0.2 4,-1.5 2,-0.1 3,-0.5 -0.661 59.8 175.1 -87.7 89.2 12.6 20.2 -32.1 44 37 A K H 3> S+ 0 0 148 -2,-1.4 4,-2.7 1,-0.2 -1,-0.2 0.802 75.6 63.1 -64.5 -33.2 13.7 23.7 -31.0 45 38 A W H 3> S+ 0 0 68 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.876 104.0 49.1 -58.3 -38.0 10.4 24.3 -29.0 46 39 A A H <> S+ 0 0 0 -3,-0.5 4,-2.1 2,-0.2 -2,-0.2 0.924 111.6 47.1 -68.0 -46.8 11.4 21.4 -26.7 47 40 A W H X S+ 0 0 29 -4,-1.5 4,-2.3 1,-0.2 -2,-0.2 0.902 111.6 52.9 -60.6 -41.3 14.9 22.7 -26.2 48 41 A E H X S+ 0 0 100 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.881 106.9 51.0 -61.4 -43.4 13.4 26.2 -25.5 49 42 A H H X S+ 0 0 22 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.916 110.0 52.2 -58.0 -43.5 11.1 24.8 -22.9 50 43 A Y H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.930 110.5 45.5 -58.7 -50.2 14.1 23.1 -21.3 51 44 A L H X S+ 0 0 51 -4,-2.3 4,-1.2 1,-0.2 -1,-0.2 0.895 112.9 50.9 -61.7 -43.3 16.2 26.4 -21.1 52 45 A N H < S+ 0 0 81 -4,-2.3 3,-0.5 2,-0.2 4,-0.3 0.922 109.4 50.8 -60.2 -45.3 13.2 28.3 -19.8 53 46 A G H >< S+ 0 0 0 -4,-2.5 3,-1.7 1,-0.2 -2,-0.2 0.908 106.7 55.1 -57.2 -45.1 12.6 25.6 -17.0 54 47 A C H >< S+ 0 0 4 -4,-2.1 3,-0.7 1,-0.3 -1,-0.2 0.759 102.2 56.2 -61.2 -29.8 16.3 25.8 -16.0 55 48 A A T 3< S+ 0 0 76 -4,-1.2 -1,-0.3 -3,-0.5 -2,-0.2 0.499 98.0 68.3 -78.6 -2.6 16.0 29.6 -15.5 56 49 A N T < + 0 0 23 -3,-1.7 -1,-0.2 -4,-0.3 -2,-0.1 0.080 67.0 154.8-106.5 21.6 13.2 28.9 -13.0 57 50 A N < + 0 0 44 -3,-0.7 2,-0.3 2,-0.0 -3,-0.1 -0.263 11.4 152.7 -57.5 129.4 15.1 27.2 -10.2 58 51 A W - 0 0 8 171,-0.0 -2,-0.1 3,-0.0 3,-0.0 -0.974 30.6-150.4-151.1 160.3 13.5 27.5 -6.8 59 52 A L > - 0 0 21 -2,-0.3 3,-2.4 1,-0.1 4,-0.2 -1.000 20.4-134.4-135.8 132.4 13.3 25.6 -3.6 60 53 A P G > S+ 0 0 0 0, 0.0 3,-1.5 0, 0.0 -1,-0.1 0.799 105.1 65.0 -57.9 -28.1 10.4 25.5 -1.2 61 54 A T G 3 S+ 0 0 73 1,-0.3 4,-0.1 -3,-0.0 72,-0.0 0.480 87.1 69.9 -73.2 -6.9 12.8 26.0 1.7 62 55 A E G < S+ 0 0 110 -3,-2.4 -1,-0.3 2,-0.1 0, 0.0 0.539 86.3 83.7 -78.9 -11.7 13.7 29.5 0.4 63 56 A I S < S- 0 0 4 -3,-1.5 -1,-0.1 -4,-0.2 159,-0.0 -0.866 82.3-127.6-108.6 114.4 10.2 30.7 1.3 64 57 A P - 0 0 96 0, 0.0 4,-0.1 0, 0.0 -2,-0.1 -0.278 20.8-175.6 -59.9 136.1 9.6 31.8 4.9 65 58 A M > + 0 0 8 2,-0.1 4,-2.9 1,-0.1 5,-0.2 0.331 52.4 108.5-112.4 3.2 6.6 30.1 6.6 66 59 A G H > S+ 0 0 50 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.885 83.4 41.3 -48.7 -53.1 6.7 32.2 9.9 67 60 A K H > S+ 0 0 159 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.835 114.9 52.5 -67.5 -36.3 3.6 34.2 9.2 68 61 A D H > S+ 0 0 2 2,-0.2 4,-3.0 1,-0.2 -2,-0.2 0.890 109.3 49.8 -62.5 -43.3 1.7 31.1 7.8 69 62 A I H X S+ 0 0 37 -4,-2.9 4,-2.2 2,-0.2 5,-0.2 0.949 110.8 49.2 -62.7 -50.9 2.6 29.2 11.0 70 63 A E H X S+ 0 0 105 -4,-2.3 4,-1.1 -5,-0.2 -2,-0.2 0.919 115.0 44.8 -53.9 -47.3 1.3 32.0 13.2 71 64 A L H < S+ 0 0 16 -4,-2.2 3,-0.5 1,-0.2 6,-0.4 0.925 110.7 53.6 -65.7 -44.0 -1.9 32.2 11.2 72 65 A W H < S+ 0 0 2 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.880 113.0 42.8 -57.9 -41.4 -2.5 28.4 11.1 73 66 A K H < S+ 0 0 43 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.614 101.9 81.5 -85.4 -13.6 -2.2 28.0 14.8 74 67 A S S < S- 0 0 23 -4,-1.1 3,-0.3 -3,-0.5 -3,-0.0 -0.150 89.8-112.3 -77.4-179.6 -4.3 31.0 15.8 75 68 A D S S+ 0 0 148 1,-0.2 -3,-0.1 259,-0.0 -1,-0.1 0.194 89.8 101.1 -98.1 16.3 -8.1 31.1 15.9 76 69 A R + 0 0 132 -5,-0.4 2,-0.4 2,-0.1 -1,-0.2 0.785 64.0 72.9 -78.5 -28.8 -8.3 33.5 12.9 77 70 A L S S- 0 0 10 -6,-0.4 2,-0.1 -3,-0.3 142,-0.0 -0.700 81.4-127.3 -86.0 136.5 -9.2 31.0 10.1 78 71 A S > - 0 0 54 -2,-0.4 4,-2.1 1,-0.1 5,-0.2 -0.361 25.1-109.1 -72.0 160.5 -12.7 29.5 10.1 79 72 A E H > S+ 0 0 117 1,-0.2 4,-1.7 2,-0.2 -1,-0.1 0.854 121.6 53.7 -55.8 -38.0 -13.2 25.8 10.0 80 73 A D H > S+ 0 0 37 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.869 107.0 50.1 -66.0 -39.8 -14.4 26.2 6.3 81 74 A E H > S+ 0 0 18 2,-0.2 4,-1.5 1,-0.2 -2,-0.2 0.893 110.6 49.6 -63.5 -43.4 -11.2 28.1 5.3 82 75 A R H X S+ 0 0 4 -4,-2.1 4,-2.7 1,-0.2 -2,-0.2 0.862 105.1 59.9 -61.6 -38.3 -9.1 25.3 6.9 83 76 A R H X S+ 0 0 71 -4,-1.7 4,-2.2 1,-0.2 5,-0.2 0.890 103.5 49.2 -59.4 -45.5 -11.1 22.7 5.0 84 77 A V H X S+ 0 0 0 -4,-1.5 4,-1.8 2,-0.2 -1,-0.2 0.916 113.4 47.3 -59.6 -44.9 -10.2 24.2 1.6 85 78 A I H X S+ 0 0 1 -4,-1.5 4,-2.4 1,-0.2 -2,-0.2 0.937 112.9 47.5 -64.2 -47.2 -6.5 24.3 2.5 86 79 A L H X S+ 0 0 2 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.887 111.7 48.7 -65.2 -43.5 -6.4 20.7 3.9 87 80 A L H X S+ 0 0 3 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.891 112.4 48.9 -64.9 -40.1 -8.2 19.1 0.9 88 81 A N H X S+ 0 0 0 -4,-1.8 4,-3.1 -5,-0.2 5,-0.3 0.931 112.7 46.5 -66.5 -45.3 -5.9 20.9 -1.6 89 82 A L H X S+ 0 0 0 -4,-2.4 4,-2.9 1,-0.2 -2,-0.2 0.927 111.9 54.0 -58.6 -46.0 -2.8 19.8 0.2 90 83 A G H X S+ 0 0 0 -4,-2.6 4,-0.6 -5,-0.2 62,-0.4 0.894 114.1 40.0 -52.8 -48.0 -4.3 16.4 0.4 91 84 A F H >X S+ 0 0 0 -4,-2.4 4,-1.7 1,-0.2 3,-0.6 0.944 119.8 43.5 -67.9 -51.2 -4.8 16.2 -3.4 92 85 A F H 3X S+ 0 0 0 -4,-3.1 4,-1.8 1,-0.2 5,-0.3 0.848 98.4 73.1 -65.3 -36.7 -1.6 17.9 -4.4 93 86 A S H 3< S+ 0 0 0 -4,-2.9 276,-0.3 -5,-0.3 -1,-0.2 0.802 115.9 19.1 -53.6 -37.3 0.7 16.0 -2.0 94 87 A T H S+ 0 0 16 -5,-0.3 4,-3.1 -3,-0.2 5,-0.3 0.854 107.4 55.8 -68.2 -38.8 4.2 12.1 -7.6 98 91 A L H X S+ 0 0 17 -4,-1.9 4,-1.6 2,-0.2 -2,-0.2 0.923 113.1 42.2 -57.5 -43.4 1.5 10.6 -9.9 99 92 A V H X S+ 0 0 1 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.939 116.2 47.6 -68.3 -50.7 2.7 13.1 -12.6 100 93 A G H X S+ 0 0 2 -4,-2.8 4,-1.6 1,-0.2 -2,-0.2 0.898 112.7 48.7 -57.7 -44.6 6.4 12.6 -11.9 101 94 A N H X S+ 0 0 21 -4,-3.1 4,-3.3 1,-0.2 5,-0.3 0.871 109.7 52.7 -67.0 -35.6 6.1 8.8 -11.9 102 95 A N H X>S+ 0 0 7 -4,-1.6 5,-2.3 -5,-0.3 4,-2.2 0.875 103.9 56.2 -67.0 -39.8 4.2 8.8 -15.2 103 96 A I H <>S+ 0 0 3 -4,-2.1 5,-3.1 3,-0.2 -2,-0.2 0.959 119.6 32.0 -52.0 -52.1 6.8 11.0 -16.9 104 97 A V H <5S+ 0 0 7 -4,-1.6 5,-0.4 3,-0.2 -2,-0.2 0.909 126.2 38.8 -74.1 -47.7 9.5 8.4 -16.1 105 98 A L H <5S+ 0 0 50 -4,-3.3 -3,-0.2 -5,-0.2 -2,-0.2 0.729 134.3 12.3 -84.5 -20.7 7.5 5.1 -16.1 106 99 A A T X5S+ 0 0 0 -4,-2.2 4,-0.6 -5,-0.3 -3,-0.2 0.767 126.3 38.9-119.5 -51.6 5.3 5.8 -19.1 107 100 A I H >>4 - 0 0 0 -2,-1.6 4,-2.0 1,-0.1 5,-0.1 -0.963 63.8-144.1-156.5 128.6 13.9 12.0 -29.1 114 107 A P H > S+ 0 0 15 0, 0.0 4,-2.5 0, 0.0 -76,-0.1 0.899 98.8 48.5 -69.2 -43.1 16.8 13.4 -27.0 115 108 A E H > S+ 0 0 0 -77,-0.3 4,-1.7 2,-0.2 -65,-0.1 0.880 113.3 48.5 -67.4 -35.1 15.8 17.1 -26.8 116 109 A A H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.911 112.1 49.8 -67.2 -40.4 12.3 16.2 -25.8 117 110 A R H X S+ 0 0 17 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.881 103.5 60.3 -62.6 -39.8 13.7 13.8 -23.2 118 111 A Q H X S+ 0 0 11 -4,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.936 107.5 44.9 -53.8 -47.9 15.9 16.6 -21.9 119 112 A Y H X S+ 0 0 0 -4,-1.7 4,-2.8 1,-0.2 -1,-0.2 0.920 108.7 56.9 -62.4 -42.5 12.8 18.6 -21.2 120 113 A L H X S+ 0 0 0 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.858 103.9 54.1 -57.7 -37.6 11.2 15.5 -19.5 121 114 A L H X S+ 0 0 12 -4,-2.4 4,-2.0 2,-0.2 335,-0.2 0.936 110.5 45.8 -60.0 -48.4 14.1 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31 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.884 112.5 47.9 -60.3 -42.2 -9.9 15.2 49.3 1258 268 D E H X S+ 0 0 0 -4,-2.9 4,-2.6 2,-0.2 -2,-0.2 0.907 110.5 51.4 -67.3 -41.5 -10.5 16.3 45.7 1259 269 D I H X S+ 0 0 13 -4,-2.3 4,-2.1 -5,-0.2 -2,-0.2 0.939 111.3 47.8 -57.9 -46.6 -14.2 16.0 46.1 1260 270 D E H X S+ 0 0 106 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.856 110.1 53.0 -64.6 -36.5 -14.1 18.2 49.2 1261 271 D Y H X S+ 0 0 1 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.922 108.3 50.1 -59.4 -47.9 -11.9 20.7 47.3 1262 272 D A H X S+ 0 0 0 -4,-2.6 4,-1.7 1,-0.2 -2,-0.2 0.880 108.6 52.1 -59.6 -41.2 -14.5 20.8 44.6 1263 273 D Q H < S+ 0 0 95 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.852 109.7 49.5 -63.9 -36.9 -17.3 21.5 47.1 1264 274 D D H < S+ 0 0 28 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.793 111.3 49.9 -68.5 -32.9 -15.2 24.3 48.6 1265 275 D C H < S+ 0 0 1 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.823 122.3 32.3 -70.3 -33.2 -14.7 25.7 45.1 1266 276 D L < + 0 0 6 -4,-1.7 9,-0.4 -5,-0.2 -1,-0.2 -0.651 54.4 153.7-134.1 72.7 -18.5 25.5 44.4 1267 277 D P S S+ 0 0 61 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.771 87.6 27.8 -68.6 -25.2 -20.8 26.1 47.4 1268 278 D R S S- 0 0 135 -3,-0.1 0, 0.0 -205,-0.1 0, 0.0 -0.960 101.1 -99.1-129.4 150.5 -23.3 27.2 44.7 1269 279 D G - 0 0 28 -2,-0.3 2,-0.3 -3,-0.1 5,-0.2 -0.230 28.8-163.5 -67.0 151.8 -23.5 26.2 41.1 1270 280 D I B > -D 1273 0D 24 3,-2.3 3,-3.2 -207,-0.1 -4,-0.0 -0.872 52.9 -54.2-125.2 168.1 -22.1 28.0 38.1 1271 281 D L T 3 S- 0 0 123 -2,-0.3 -71,-0.1 1,-0.3 3,-0.0 -0.142 125.4 -10.1 -51.2 113.7 -23.0 27.4 34.4 1272 282 D G T 3 S+ 0 0 55 1,-0.1 2,-0.4 -3,-0.0 -1,-0.3 0.481 118.0 97.1 78.1 5.3 -22.4 23.7 33.7 1273 283 D L B < +D 1270 0D 1 -3,-3.2 -3,-2.3 -77,-0.0 2,-0.3 -0.929 38.0 161.9-134.4 111.1 -20.6 23.1 37.1 1274 284 D R >> - 0 0 147 -2,-0.4 3,-1.0 -5,-0.2 4,-0.5 -0.903 44.0-123.7-115.9 150.8 -22.1 21.7 40.3 1275 285 D A H >> S+ 0 0 20 -9,-0.4 3,-1.2 -2,-0.3 4,-0.5 0.848 109.5 62.8 -59.3 -35.5 -20.1 20.2 43.2 1276 286 D S H 3> S+ 0 0 71 1,-0.3 4,-0.9 2,-0.2 3,-0.5 0.713 92.3 63.2 -64.5 -25.6 -22.0 16.9 42.9 1277 287 D M H <> S+ 0 0 36 -3,-1.0 4,-2.4 1,-0.2 -1,-0.3 0.746 95.0 61.6 -70.4 -24.7 -20.7 16.3 39.3 1278 288 D F H <>S+ 0 0 0 -4,-2.4 5,-2.8 1,-0.2 3,-0.7 0.912 108.0 51.4 -57.5 -45.9 -6.2 2.5 38.5 1291 301 D E H ><5S+ 0 0 96 -4,-1.9 3,-1.6 1,-0.2 -1,-0.2 0.868 103.2 58.4 -57.3 -42.3 -6.7 0.6 35.2 1292 302 D R H 3<5S+ 0 0 104 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.724 108.6 45.0 -66.7 -23.8 -3.5 2.0 33.7 1293 303 D I T <<5S- 0 0 0 -4,-1.0 -1,-0.3 -3,-0.7 -2,-0.2 0.149 126.1 -96.7-106.5 19.5 -1.4 0.5 36.5 1294 304 D G T < 5S+ 0 0 58 -3,-1.6 2,-0.3 1,-0.3 -3,-0.2 0.656 83.3 125.7 82.1 18.6 -3.1 -2.9 36.4 1295 305 D L < - 0 0 11 -5,-2.8 -1,-0.3 -6,-0.2 -2,-0.1 -0.792 61.2-106.5-108.6 152.1 -5.6 -2.3 39.2 1296 306 D K - 0 0 179 -2,-0.3 -6,-0.0 1,-0.1 -1,-0.0 -0.472 32.9-106.2 -79.3 144.4 -9.4 -2.8 39.0 1297 307 D P - 0 0 33 0, 0.0 -1,-0.1 0, 0.0 -10,-0.1 -0.366 32.4-176.2 -60.3 149.6 -11.9 0.1 38.9 1298 308 D I S S+ 0 0 58 -15,-0.2 -15,-0.0 -50,-0.0 -2,-0.0 0.523 72.7 42.8-127.3 -17.6 -13.8 0.5 42.2 1299 309 D Y S S- 0 0 50 -16,-0.3 -15,-0.1 2,-0.1 -16,-0.1 0.823 72.2-161.6-102.2 -43.1 -16.3 3.3 41.7 1300 310 D H + 0 0 143 -17,-0.2 2,-0.1 1,-0.2 -16,-0.1 0.644 34.0 152.2 68.0 21.4 -17.8 2.6 38.2 1301 311 D T - 0 0 27 -21,-0.1 -1,-0.2 -22,-0.1 2,-0.1 -0.421 42.7-114.3 -82.4 157.7 -19.2 6.1 37.7 1302 312 D K - 0 0 170 -2,-0.1 -18,-0.3 1,-0.1 -1,-0.1 -0.385 30.5-100.7 -86.4 165.8 -19.7 7.8 34.4 1303 313 D N - 0 0 37 1,-0.1 -22,-0.1 -2,-0.1 -1,-0.1 -0.797 26.7-170.4 -92.4 110.5 -17.9 10.9 33.1 1304 314 D P S S+ 0 0 45 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 0.563 82.5 54.5 -76.9 -8.0 -20.0 14.1 33.4 1305 315 D F >> + 0 0 3 1,-0.1 3,-1.4 -28,-0.1 4,-0.5 -0.581 57.7 157.8-123.2 69.8 -17.5 16.1 31.3 1306 316 D P H >> S+ 0 0 81 0, 0.0 3,-1.0 0, 0.0 4,-0.6 0.806 71.7 66.8 -65.1 -28.2 -17.1 14.2 28.0 1307 317 D W H 3> S+ 0 0 37 1,-0.3 4,-1.3 2,-0.2 3,-0.5 0.741 90.0 67.3 -60.1 -25.6 -16.0 17.4 26.2 1308 318 D M H <> S+ 0 0 1 -3,-1.4 4,-1.1 1,-0.2 -1,-0.3 0.847 95.8 53.0 -64.4 -36.7 -12.9 17.2 28.5 1309 319 D S H < S+ 0 0 36 -4,-1.1 3,-0.8 2,-0.2 -2,-0.2 0.942 106.8 50.4 -65.7 -50.2 -7.1 16.0 25.5 1313 323 D D H >< S+ 0 0 90 -4,-1.7 3,-0.9 1,-0.2 -2,-0.2 0.775 102.1 61.2 -64.1 -30.1 -7.2 13.9 22.2 1314 324 D L H 3< S+ 0 0 47 -4,-1.2 -1,-0.2 1,-0.2 -2,-0.2 0.841 121.0 25.4 -60.5 -36.6 -6.5 17.0 20.0 1315 325 D N T << S+ 0 0 22 -3,-0.8 -1,-0.2 -4,-0.8 -2,-0.2 -0.149 91.2 139.0-123.6 36.9 -3.2 17.4 21.8 1316 326 D K < - 0 0 129 -3,-0.9 -3,-0.1 1,-0.1 2,-0.1 -0.263 63.1 -75.6 -73.5 168.0 -2.5 13.9 23.0 1317 327 D E 0 0 37 1,-0.1 -1,-0.1 -99,-0.0 -285,-0.1 -0.361 360.0 360.0 -71.2 144.4 1.0 12.4 22.8 1318 328 D K 0 0 197 -287,-0.1 -1,-0.1 -3,-0.1 -286,-0.1 0.802 360.0 360.0 -58.6 360.0 2.5 11.3 19.5