==== 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 4D8G . 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,JR.BOLLINGER,J . 1315 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 48743.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 981 74.6 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 . 41 3.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 156 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 716 54.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 50 3.8 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 7 4 0 0 4 1 0 4 2 2 4 4 0 0 4 0 0 0 0 0 0 4 0 5 3 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 -7 A G 0 0 129 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 27.1 36.4 31.1 -40.2 2 -6 A L - 0 0 171 401,-0.0 0, 0.0 0, 0.0 0, 0.0 -0.829 360.0-171.4-104.7 138.1 39.9 29.7 -39.6 3 -5 A V - 0 0 68 -2,-0.4 400,-0.1 1,-0.1 3,-0.1 -0.856 31.9 -87.9-125.9 155.5 40.9 27.6 -36.6 4 -4 A P > - 0 0 30 0, 0.0 3,-0.9 0, 0.0 -1,-0.1 -0.207 54.8 -83.9 -64.5 156.2 44.3 26.4 -35.3 5 -3 A R T 3 S+ 0 0 204 1,-0.2 0, 0.0 2,-0.1 0, 0.0 -0.230 113.2 26.8 -50.9 141.1 45.8 23.1 -36.5 6 -2 A G T 3 S+ 0 0 23 -3,-0.1 -1,-0.2 1,-0.1 4,-0.1 0.692 74.4 129.9 76.7 22.4 44.5 20.0 -34.5 7 -1 A S < + 0 0 7 -3,-0.9 2,-0.3 -4,-0.1 -2,-0.1 0.323 59.1 70.8 -91.6 8.0 41.1 21.4 -33.5 8 0 A H S S- 0 0 102 465,-0.1 2,-0.4 469,-0.0 408,-0.1 -0.929 82.6-121.8-119.7 147.5 39.3 18.3 -34.8 9 1 A M - 0 0 12 -2,-0.3 2,-0.4 407,-0.1 -2,-0.1 -0.754 28.7-129.7 -85.4 134.6 39.3 14.8 -33.3 10 2 A Q - 0 0 138 -2,-0.4 2,-0.3 -4,-0.1 474,-0.0 -0.708 17.9-131.9 -84.7 133.9 40.5 12.2 -35.8 11 3 A A - 0 0 18 -2,-0.4 474,-0.2 1,-0.1 3,-0.1 -0.603 23.0-179.2 -79.1 143.2 38.3 9.1 -36.2 12 4 A D S S+ 0 0 67 472,-2.6 2,-0.7 -2,-0.3 473,-0.2 0.412 71.4 76.0-119.4 -4.6 39.9 5.7 -36.0 13 5 A I S > S- 0 0 23 471,-2.3 3,-0.9 1,-0.1 4,-0.3 -0.946 73.2-160.5-101.4 111.6 36.7 3.8 -36.7 14 6 A L T 3 S+ 0 0 150 -2,-0.7 3,-0.3 1,-0.3 -1,-0.1 0.738 84.1 44.5 -77.5 -25.3 36.3 4.4 -40.4 15 7 A D T > S+ 0 0 104 1,-0.2 3,-1.4 2,-0.1 -1,-0.3 0.498 89.3 95.2 -89.0 -5.8 32.6 3.6 -40.7 16 8 A G G X + 0 0 1 -3,-0.9 3,-1.7 1,-0.3 -1,-0.2 0.707 65.0 70.1 -65.6 -27.1 31.6 5.6 -37.6 17 9 A K G > S+ 0 0 101 -4,-0.3 3,-1.6 -3,-0.3 -1,-0.3 0.731 84.4 73.5 -67.0 -19.7 30.7 8.9 -39.2 18 10 A Q G < S+ 0 0 149 -3,-1.4 -1,-0.3 1,-0.3 -2,-0.2 0.726 86.2 65.1 -62.5 -24.0 27.6 7.2 -40.7 19 11 A K G < S+ 0 0 87 -3,-1.7 16,-0.4 -4,-0.2 -1,-0.3 0.507 71.3 117.3 -80.2 -5.6 26.1 7.3 -37.2 20 12 A R S < S- 0 0 62 -3,-1.6 2,-0.4 -4,-0.2 457,-0.1 -0.405 77.6-105.2 -57.4 140.5 26.0 11.1 -37.1 21 13 A V - 0 0 6 19,-0.4 2,-0.7 14,-0.1 -1,-0.1 -0.610 18.7-139.1 -84.5 128.4 22.3 12.0 -36.9 22 14 A N >> - 0 0 102 -2,-0.4 3,-2.1 1,-0.2 4,-0.6 -0.766 16.0-144.2 -78.1 114.2 20.4 13.3 -39.9 23 15 A L G >4 S+ 0 0 56 -2,-0.7 3,-1.4 1,-0.3 -1,-0.2 0.864 95.2 54.8 -50.2 -44.4 18.2 16.1 -38.4 24 16 A N G 34 S+ 0 0 116 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.0 0.574 98.5 60.6 -74.6 -7.8 15.3 15.3 -40.7 25 17 A S G <4 S+ 0 0 26 -3,-2.1 -1,-0.3 2,-0.0 8,-0.2 0.607 81.2 109.4 -87.7 -10.5 15.1 11.7 -39.8 26 18 A K << + 0 0 5 -3,-1.4 2,-0.3 -4,-0.6 88,-0.1 -0.347 46.3 178.7 -66.0 141.8 14.3 12.6 -36.1 27 19 A R - 0 0 103 86,-0.5 4,-0.2 1,-0.1 222,-0.1 -0.964 37.2-125.1-140.1 155.9 10.7 12.0 -34.9 28 20 A L S S+ 0 0 0 -2,-0.3 85,-1.2 220,-0.2 2,-0.3 0.845 94.0 20.6 -69.2 -38.1 8.9 12.4 -31.6 29 21 A V S S+ 0 0 6 83,-0.2 83,-0.1 84,-0.1 3,-0.1 -0.904 120.9 16.1-128.9 159.5 7.7 8.8 -31.4 30 22 A N S S+ 0 0 61 81,-0.5 2,-1.0 -2,-0.3 3,-0.1 0.654 75.7 150.6 58.2 23.0 8.7 5.4 -32.9 31 23 A C + 0 0 17 -4,-0.2 -1,-0.2 1,-0.2 5,-0.1 -0.755 5.2 138.6 -93.4 96.4 12.1 6.8 -34.0 32 24 A N + 0 0 147 -2,-1.0 -1,-0.2 -3,-0.1 4,-0.1 0.364 50.5 84.2-116.9 3.1 14.6 3.9 -34.0 33 25 A Q S S+ 0 0 170 -8,-0.2 2,-0.3 -3,-0.1 -7,-0.1 0.731 93.4 43.1 -74.5 -25.8 16.5 4.6 -37.2 34 26 A V S S- 0 0 38 -9,-0.1 2,-0.8 -13,-0.1 -14,-0.1 -0.805 98.8 -83.1-125.7 167.5 18.9 7.1 -35.5 35 27 A D > - 0 0 31 -16,-0.4 3,-1.4 -2,-0.3 -14,-0.1 -0.527 30.1-168.1 -78.5 105.8 20.9 7.4 -32.3 36 28 A V T 3 S+ 0 0 41 -2,-0.8 -1,-0.2 1,-0.2 78,-0.0 0.670 80.6 69.0 -66.7 -15.8 18.6 8.7 -29.4 37 29 A N T 3 S+ 0 0 31 77,-0.0 2,-0.7 1,-0.0 -1,-0.2 0.593 82.4 80.9 -80.2 -15.5 21.7 9.3 -27.2 38 30 A Q < - 0 0 2 -3,-1.4 386,-0.1 1,-0.2 442,-0.0 -0.867 62.5-161.9 -95.2 119.5 23.1 12.2 -29.2 39 31 A L + 0 0 1 -2,-0.7 77,-0.2 384,-0.3 -1,-0.2 0.878 52.1 119.1 -59.9 -39.5 21.4 15.4 -28.4 40 32 A V + 0 0 5 435,-0.2 -19,-0.4 2,-0.1 2,-0.1 -0.527 55.0 32.6 -95.3 151.0 22.6 17.1 -31.7 41 33 A P S S- 0 0 16 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.582 84.1-143.1 -78.6 141.3 21.4 18.2 -34.1 42 34 A I + 0 0 23 1,-0.2 3,-0.2 -2,-0.1 -2,-0.1 -0.569 24.5 174.4 -72.3 124.7 18.4 19.5 -32.3 43 35 A K + 0 0 51 -2,-0.3 2,-1.5 1,-0.2 -1,-0.2 0.827 68.6 58.8 -92.6 -48.3 15.2 19.3 -34.4 44 36 A Y >> + 0 0 14 1,-0.2 4,-1.7 2,-0.1 3,-0.8 -0.630 59.1 172.8 -91.0 86.4 12.5 20.3 -32.0 45 37 A K H 3> S+ 0 0 141 -2,-1.5 4,-2.4 1,-0.3 -1,-0.2 0.811 75.8 63.2 -67.0 -27.2 13.6 23.8 -31.0 46 38 A W H 3> S+ 0 0 72 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.853 103.7 48.8 -62.3 -34.9 10.4 24.3 -29.1 47 39 A A H <> S+ 0 0 0 -3,-0.8 4,-2.1 2,-0.2 -2,-0.2 0.927 111.1 48.5 -71.2 -45.4 11.4 21.5 -26.8 48 40 A W H X S+ 0 0 24 -4,-1.7 4,-2.5 1,-0.2 -2,-0.2 0.897 110.8 52.1 -60.1 -42.7 14.9 22.8 -26.2 49 41 A E H X S+ 0 0 96 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.897 107.6 50.5 -62.6 -41.2 13.4 26.3 -25.5 50 42 A H H X S+ 0 0 21 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.894 110.1 52.5 -62.1 -41.4 11.0 24.9 -22.9 51 43 A Y H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.939 110.6 46.3 -57.6 -48.8 14.0 23.2 -21.3 52 44 A L H X S+ 0 0 48 -4,-2.5 4,-1.5 1,-0.2 -2,-0.2 0.914 113.0 49.2 -63.1 -40.2 16.0 26.4 -21.1 53 45 A N H < S+ 0 0 81 -4,-2.4 4,-0.5 1,-0.2 3,-0.3 0.927 110.2 51.1 -66.1 -42.5 13.1 28.4 -19.7 54 46 A G H >< S+ 0 0 0 -4,-2.4 3,-1.6 1,-0.2 -1,-0.2 0.919 106.5 54.2 -59.6 -44.3 12.5 25.8 -17.1 55 47 A C H >< S+ 0 0 4 -4,-2.2 3,-0.9 1,-0.3 -1,-0.2 0.830 102.9 57.5 -60.7 -31.8 16.1 25.8 -16.0 56 48 A A T 3< S+ 0 0 77 -4,-1.5 -1,-0.3 -3,-0.3 -2,-0.2 0.601 95.9 68.0 -74.9 -10.5 15.9 29.6 -15.5 57 49 A N T < + 0 0 23 -3,-1.6 -1,-0.2 -4,-0.5 -2,-0.2 0.109 68.2 155.7 -97.7 20.7 13.0 29.1 -13.0 58 50 A N < + 0 0 42 -3,-0.9 2,-0.3 2,-0.0 -3,-0.1 -0.226 11.3 150.2 -51.1 130.5 15.1 27.4 -10.3 59 51 A W - 0 0 7 171,-0.0 3,-0.1 3,-0.0 -2,-0.0 -0.976 31.9-147.0-155.1 161.5 13.5 27.7 -6.8 60 52 A L > - 0 0 30 -2,-0.3 3,-1.8 1,-0.1 4,-0.3 -0.999 18.5-135.8-135.3 137.3 13.3 25.8 -3.5 61 53 A P G > S+ 0 0 0 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 0.839 104.4 64.6 -59.2 -33.4 10.4 25.7 -1.1 62 54 A T G 3 S+ 0 0 73 1,-0.3 4,-0.1 -3,-0.1 72,-0.0 0.617 90.5 67.0 -66.8 -15.8 12.8 26.1 1.9 63 55 A E G < S+ 0 0 114 -3,-1.8 -1,-0.3 2,-0.1 0, 0.0 0.567 86.3 84.6 -73.1 -15.5 13.7 29.7 0.5 64 56 A I S < S- 0 0 4 -3,-1.9 2,-0.1 -4,-0.3 159,-0.0 -0.838 82.7-128.9-100.9 115.7 10.2 30.8 1.3 65 57 A P - 0 0 100 0, 0.0 4,-0.1 0, 0.0 3,-0.1 -0.356 21.1-174.2 -68.5 139.6 9.6 32.0 4.9 66 58 A M > + 0 0 8 1,-0.1 4,-2.5 2,-0.1 5,-0.2 0.316 51.3 108.8-112.7 5.1 6.6 30.4 6.7 67 59 A G H > S+ 0 0 51 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.881 82.3 44.3 -50.4 -49.6 6.7 32.4 9.9 68 60 A K H > S+ 0 0 153 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.834 113.8 51.9 -68.3 -35.5 3.5 34.4 9.2 69 61 A D H > S+ 0 0 1 2,-0.2 4,-3.0 1,-0.2 -1,-0.2 0.884 109.4 48.1 -64.7 -43.7 1.7 31.3 7.9 70 62 A I H X S+ 0 0 37 -4,-2.5 4,-2.5 2,-0.2 5,-0.2 0.939 111.7 50.9 -64.2 -46.9 2.5 29.3 11.1 71 63 A E H X S+ 0 0 100 -4,-2.3 4,-1.0 -5,-0.2 -2,-0.2 0.909 114.8 43.1 -55.8 -44.6 1.4 32.2 13.3 72 64 A L H >< S+ 0 0 19 -4,-2.0 3,-0.5 1,-0.2 6,-0.5 0.940 113.2 51.6 -68.3 -46.3 -2.0 32.4 11.3 73 65 A W H 3< S+ 0 0 2 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.885 110.8 47.3 -59.0 -41.0 -2.5 28.7 11.2 74 66 A K H 3< S+ 0 0 43 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.715 101.8 82.0 -77.1 -19.7 -2.0 28.2 15.0 75 67 A S S << S- 0 0 19 -4,-1.0 3,-0.3 -3,-0.5 -3,-0.0 -0.090 87.9-115.9 -75.3 178.4 -4.3 31.1 15.8 76 68 A D S S+ 0 0 145 1,-0.2 -1,-0.1 257,-0.1 -3,-0.1 0.229 90.1 97.0 -97.6 12.2 -8.1 31.1 16.1 77 69 A R + 0 0 138 -5,-0.3 2,-0.3 2,-0.1 -1,-0.2 0.835 63.3 80.3 -74.4 -34.2 -8.5 33.6 13.2 78 70 A L S S- 0 0 9 -6,-0.5 2,-0.1 -3,-0.3 142,-0.0 -0.567 80.0-128.4 -77.9 133.3 -9.2 31.1 10.4 79 71 A S > - 0 0 53 -2,-0.3 4,-2.3 1,-0.1 3,-0.2 -0.405 22.6-113.4 -72.0 156.4 -12.7 29.7 10.1 80 72 A E H > S+ 0 0 84 1,-0.2 4,-2.2 2,-0.2 -1,-0.1 0.852 120.0 56.0 -57.8 -35.2 -13.1 25.9 10.0 81 73 A D H > S+ 0 0 34 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.867 106.9 47.9 -63.8 -38.3 -14.4 26.4 6.4 82 74 A E H > S+ 0 0 15 -3,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.885 110.8 51.1 -65.7 -43.3 -11.2 28.2 5.4 83 75 A R H X S+ 0 0 5 -4,-2.3 4,-2.9 1,-0.2 5,-0.2 0.898 105.3 57.9 -61.8 -39.2 -9.1 25.4 7.1 84 76 A R H X S+ 0 0 58 -4,-2.2 4,-2.5 1,-0.2 5,-0.3 0.905 105.0 49.7 -55.9 -46.0 -11.1 22.9 5.1 85 77 A V H X S+ 0 0 0 -4,-1.5 4,-2.0 1,-0.2 -1,-0.2 0.939 113.8 45.6 -58.8 -48.1 -10.1 24.5 1.7 86 78 A I H X S+ 0 0 2 -4,-1.8 4,-2.6 1,-0.2 -2,-0.2 0.940 114.2 47.3 -62.1 -48.9 -6.5 24.5 2.7 87 79 A L H X S+ 0 0 2 -4,-2.9 4,-2.5 1,-0.2 -1,-0.2 0.895 112.0 48.4 -63.7 -45.4 -6.4 20.9 4.0 88 80 A L H X S+ 0 0 5 -4,-2.5 4,-2.5 -5,-0.2 -1,-0.2 0.889 112.3 50.0 -64.1 -39.3 -8.2 19.4 1.0 89 81 A N H X S+ 0 0 0 -4,-2.0 4,-2.6 -5,-0.3 5,-0.2 0.935 111.8 46.8 -65.9 -42.8 -6.0 21.2 -1.4 90 82 A L H X S+ 0 0 0 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.904 111.5 53.6 -62.5 -39.5 -2.8 20.0 0.4 91 83 A G H X S+ 0 0 0 -4,-2.5 4,-0.6 -5,-0.2 62,-0.4 0.938 113.8 41.0 -61.9 -47.7 -4.3 16.5 0.5 92 84 A F H >X S+ 0 0 0 -4,-2.5 4,-1.8 1,-0.2 3,-0.7 0.942 118.8 43.4 -64.2 -49.9 -4.8 16.4 -3.2 93 85 A F H 3X S+ 0 0 0 -4,-2.6 4,-1.8 1,-0.2 5,-0.3 0.843 98.9 73.1 -70.2 -31.0 -1.6 18.1 -4.3 94 86 A S H 3< S+ 0 0 1 -4,-2.2 274,-0.3 -5,-0.2 4,-0.2 0.778 116.2 19.3 -57.2 -34.2 0.7 16.1 -1.9 95 87 A T H S+ 0 0 16 -5,-0.3 4,-2.9 -4,-0.2 5,-0.2 0.877 108.0 53.5 -61.2 -44.9 4.1 12.2 -7.4 99 91 A L H X S+ 0 0 18 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.916 112.0 45.4 -56.7 -44.2 1.6 10.7 -9.8 100 92 A V H X S+ 0 0 1 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.936 114.7 45.8 -66.6 -46.5 2.6 13.2 -12.5 101 93 A G H X S+ 0 0 2 -4,-2.5 4,-2.0 1,-0.2 5,-0.2 0.923 112.6 51.0 -66.7 -44.8 6.4 12.7 -12.0 102 94 A N H X S+ 0 0 18 -4,-2.9 4,-3.3 1,-0.2 5,-0.4 0.906 109.1 51.6 -56.2 -43.7 6.0 8.9 -11.9 103 95 A N H X>S+ 0 0 7 -4,-1.9 5,-2.2 -5,-0.2 4,-2.1 0.881 106.8 53.7 -64.0 -39.1 4.0 8.9 -15.2 104 96 A I H <>S+ 0 0 4 -4,-2.0 5,-2.8 3,-0.2 -1,-0.2 0.955 118.8 34.6 -56.2 -51.0 6.7 11.0 -16.9 105 97 A V H <5S+ 0 0 5 -4,-2.0 5,-0.4 3,-0.2 -2,-0.2 0.945 127.7 34.6 -70.6 -46.0 9.4 8.5 -16.0 106 98 A L H <5S+ 0 0 50 -4,-3.3 -3,-0.2 -5,-0.2 -2,-0.2 0.689 133.9 16.9 -91.1 -20.3 7.5 5.2 -16.2 107 99 A A T X5S+ 0 0 0 -4,-2.1 4,-0.5 -5,-0.4 -3,-0.2 0.768 126.0 35.5-117.0 -49.5 5.1 5.9 -19.1 108 100 A I H >>4 - 0 0 1 -2,-1.9 4,-2.3 -86,-0.1 5,-0.2 -0.959 63.9-144.4-155.8 127.0 13.8 12.1 -29.0 115 107 A P H > S+ 0 0 16 0, 0.0 4,-2.3 0, 0.0 -76,-0.1 0.879 98.4 48.1 -69.8 -39.1 16.7 13.6 -27.0 116 108 A E H > S+ 0 0 0 -77,-0.2 4,-1.6 2,-0.2 5,-0.1 0.916 114.1 47.6 -69.2 -36.9 15.8 17.2 -26.8 117 109 A A H > S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.904 111.4 52.4 -64.4 -41.6 12.2 16.4 -25.8 118 110 A R H X S+ 0 0 20 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.865 102.8 59.1 -62.5 -38.3 13.7 13.9 -23.2 119 111 A Q H X S+ 0 0 9 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.932 107.8 45.7 -51.4 -50.6 15.8 16.8 -21.8 120 112 A Y H X S+ 0 0 0 -4,-1.6 4,-3.1 1,-0.2 -2,-0.2 0.939 108.4 55.9 -60.5 -45.1 12.7 18.7 -21.1 121 113 A L H X S+ 0 0 0 -4,-2.2 4,-2.7 1,-0.2 -1,-0.2 0.869 105.5 52.5 -54.1 -38.4 11.1 15.7 -19.6 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0 0 52 1,-0.1 2,-0.4 -3,-0.0 -1,-0.3 0.551 119.7 94.8 75.9 8.5 52.1 17.3 -15.1 620 283 B L B < +B 617 0B 5 -3,-2.9 -3,-2.3 -77,-0.0 2,-0.3 -0.978 37.3 158.1-140.5 128.0 50.5 14.5 -17.2 621 284 B R >> - 0 0 158 -2,-0.4 3,-1.7 -5,-0.2 4,-0.7 -0.992 46.3-118.9-142.1 144.2 51.8 11.3 -18.6 622 285 B A H >> S+ 0 0 10 -9,-0.5 3,-1.3 -2,-0.3 4,-0.6 0.845 111.7 61.3 -47.7 -42.1 49.8 8.1 -19.6 623 286 B S H >> S+ 0 0 40 1,-0.3 4,-1.0 2,-0.2 3,-0.9 0.798 92.5 64.6 -59.9 -29.1 51.8 6.0 -17.1 624 287 B M H <> S+ 0 0 55 -3,-1.7 4,-2.2 1,-0.2 -1,-0.3 0.815 95.0 61.6 -64.3 -28.0 50.5 8.1 -14.2 625 288 B F H <>S+ 0 0 0 -4,-2.6 5,-2.7 1,-0.2 3,-1.0 0.925 107.4 51.9 -55.2 -51.7 35.9 -1.4 -3.9 638 301 B E H ><5S+ 0 0 94 -4,-2.3 3,-1.7 1,-0.3 -1,-0.2 0.853 103.9 58.7 -53.1 -40.7 36.4 -0.5 -0.1 639 302 B R H 3<5S+ 0 0 82 -4,-1.3 -1,-0.3 1,-0.3 -2,-0.2 0.777 107.9 44.1 -69.2 -26.1 33.2 1.5 -0.1 640 303 B I T <<5S- 0 0 0 -4,-1.0 -1,-0.3 -3,-1.0 -2,-0.2 0.070 126.3 -96.8-104.0 24.5 31.1 -1.5 -1.2 641 304 B G T < 5S+ 0 0 57 -3,-1.7 2,-0.3 1,-0.3 -3,-0.2 0.674 83.1 127.3 77.9 20.3 32.8 -3.9 1.2 642 305 B L < - 0 0 12 -5,-2.7 -1,-0.3 -6,-0.2 -2,-0.1 -0.812 62.4-104.5-108.9 150.5 35.3 -5.4 -1.1 643 306 B K - 0 0 179 -2,-0.3 -6,-0.0 1,-0.1 -1,-0.0 -0.474 34.7-108.8 -72.6 139.7 39.1 -5.7 -0.6 644 307 B P - 0 0 36 0, 0.0 -1,-0.1 0, 0.0 -10,-0.1 -0.386 33.3-175.7 -61.9 148.0 41.5 -3.3 -2.4 645 308 B I + 0 0 60 -15,-0.2 -2,-0.0 -50,-0.0 -15,-0.0 0.493 69.9 46.1-124.0 -13.7 43.5 -5.3 -5.0 646 309 B Y - 0 0 53 -16,-0.3 -15,-0.1 2,-0.1 -16,-0.1 0.826 69.8-162.1-101.4 -40.7 46.0 -2.9 -6.6 647 310 B H + 0 0 147 -17,-0.2 2,-0.2 1,-0.2 -16,-0.1 0.742 34.1 152.7 59.2 34.1 47.6 -1.0 -3.6 648 311 B T - 0 0 25 -21,-0.2 -1,-0.2 -22,-0.1 2,-0.1 -0.519 43.4-115.8 -90.2 157.8 48.9 1.8 -5.7 649 312 B K - 0 0 118 -2,-0.2 -18,-0.2 1,-0.0 -19,-0.1 -0.455 31.3-103.3 -86.1 165.0 49.5 5.4 -4.5 650 313 B N - 0 0 34 -2,-0.1 -22,-0.1 1,-0.1 -1,-0.0 -0.822 24.3-169.6 -94.8 111.5 47.7 8.4 -5.8 651 314 B P S S+ 0 0 25 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.632 85.9 50.3 -69.5 -15.5 49.7 10.6 -8.3 652 315 B F > + 0 0 4 1,-0.1 3,-2.1 -28,-0.1 4,-0.2 -0.479 59.1 154.8-123.2 60.9 47.1 13.4 -8.1 653 316 B P G > + 0 0 89 0, 0.0 3,-1.5 0, 0.0 -1,-0.1 0.707 66.7 73.9 -66.4 -18.1 46.4 14.1 -4.4 654 317 B W G > S+ 0 0 47 1,-0.2 3,-1.7 2,-0.1 -2,-0.0 0.708 79.0 76.9 -64.1 -18.4 45.3 17.6 -5.2 655 318 B M G < S+ 0 0 24 -3,-2.1 -1,-0.2 1,-0.3 -117,-0.0 0.691 89.0 56.2 -64.9 -19.9 42.1 16.0 -6.5 656 319 B S G < S+ 0 0 54 -3,-1.5 2,-0.4 -4,-0.2 -1,-0.3 0.093 83.0 118.6 -98.6 17.9 40.9 15.6 -2.9 657 320 B E S < S- 0 0 116 -3,-1.7 2,-0.4 1,-0.1 80,-0.1 -0.751 76.4-108.9 -87.0 128.3 41.4 19.3 -2.3 658 321 B T - 0 0 70 -2,-0.4 2,-0.4 79,-0.2 -2,-0.1 -0.435 34.6-151.9 -60.7 113.1 38.2 21.2 -1.3 659 322 B I - 0 0 61 -2,-0.4 2,-0.7 -101,-0.1 -1,-0.1 -0.754 4.3-141.8 -90.0 134.4 37.2 23.4 -4.3 660 323 B D 0 0 159 -2,-0.4 -2,-0.0 0, 0.0 -1,-0.0 -0.870 360.0 360.0-101.4 115.0 35.2 26.6 -3.5 661 324 B L 0 0 71 -2,-0.7 -106,-0.0 -103,-0.1 -2,-0.0 -0.774 360.0 360.0-112.3 360.0 32.5 27.3 -6.1 662 !* 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 0.0 663 -5 C V 0 0 160 0, 0.0 2,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 111.5 -11.7 46.6 43.8 664 -4 C P > - 0 0 32 0, 0.0 3,-1.6 0, 0.0 4,-0.1 -0.453 360.0 -96.8 -69.6 140.3 -13.8 44.0 41.9 665 -3 C R T 3 S+ 0 0 187 1,-0.3 399,-0.1 -2,-0.1 394,-0.0 -0.293 105.0 8.3 -62.0 135.0 -16.1 42.0 44.1 666 -2 C G T 3 S+ 0 0 34 1,-0.1 -1,-0.3 -3,-0.1 4,-0.1 0.653 85.1 130.4 70.0 18.9 -14.8 38.6 45.3 667 -1 C S < + 0 0 15 -3,-1.6 2,-0.4 2,-0.1 -2,-0.1 0.388 56.4 74.3 -85.2 2.9 -11.3 39.3 43.9 668 0 C H S S- 0 0 106 -4,-0.1 2,-0.5 457,-0.1 400,-0.1 -0.939 82.8-123.4-114.4 142.4 -9.7 38.3 47.1 669 1 C M - 0 0 16 -2,-0.4 2,-0.5 399,-0.1 -2,-0.1 -0.726 28.6-134.4 -76.0 120.3 -9.3 34.8 48.5 670 2 C Q - 0 0 166 -2,-0.5 2,-0.3 -4,-0.1 -1,-0.0 -0.681 17.2-133.9 -80.0 124.7 -10.9 34.6 52.0 671 3 C A - 0 0 29 -2,-0.5 466,-0.2 1,-0.1 3,-0.1 -0.591 23.4-178.7 -75.1 134.3 -8.6 32.9 54.5 672 4 C D S S+ 0 0 74 464,-2.1 2,-0.6 -2,-0.3 465,-0.2 0.359 73.1 70.3-111.8 2.6 -10.3 30.3 56.7 673 5 C I S > S- 0 0 45 463,-1.6 3,-1.2 1,-0.1 4,-0.4 -0.929 72.5-160.9-115.2 103.3 -7.1 29.4 58.7 674 6 C L T 3 S+ 0 0 139 -2,-0.6 3,-0.4 1,-0.3 -1,-0.1 0.741 84.7 46.5 -64.6 -28.0 -6.5 32.6 60.7 675 7 C D T > S+ 0 0 115 1,-0.2 3,-1.8 2,-0.1 -1,-0.3 0.646 87.2 90.8 -84.5 -17.6 -2.8 32.0 61.5 676 8 C G G X + 0 0 3 -3,-1.2 3,-2.0 1,-0.3 -1,-0.2 0.754 69.5 72.4 -51.7 -33.5 -1.7 31.1 57.9 677 9 C K G > S+ 0 0 106 -4,-0.4 3,-1.4 -3,-0.4 -1,-0.3 0.699 81.9 71.4 -61.5 -20.4 -0.9 34.7 56.9 678 10 C Q G < S+ 0 0 146 -3,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.664 88.6 65.0 -68.0 -15.3 2.3 34.7 59.0 679 11 C K G < + 0 0 109 -3,-2.0 16,-0.3 -4,-0.2 -1,-0.2 0.423 70.0 117.9 -89.7 -1.7 3.8 32.2 56.5 680 12 C R S < S- 0 0 61 -3,-1.4 2,-0.5 -4,-0.1 449,-0.1 -0.459 77.8-107.1 -56.8 140.6 3.8 34.8 53.7 681 13 C V - 0 0 4 19,-0.3 2,-0.5 447,-0.1 -1,-0.1 -0.659 21.9-138.4 -87.1 126.6 7.4 35.3 52.8 682 14 C N > - 0 0 95 -2,-0.5 3,-2.0 1,-0.1 4,-0.5 -0.738 13.5-138.4 -80.6 120.5 9.2 38.4 53.8 683 15 C L G > S+ 0 0 66 -2,-0.5 3,-1.4 1,-0.3 -1,-0.1 0.858 99.9 50.9 -43.9 -52.0 11.4 39.7 51.0 684 16 C N G 3 S+ 0 0 115 1,-0.3 -1,-0.3 -3,-0.0 -2,-0.0 0.498 100.2 65.2 -73.0 -2.4 14.4 40.6 53.2 685 17 C S G < S+ 0 0 33 -3,-2.0 -1,-0.3 2,-0.0 -2,-0.2 0.574 78.2 106.0 -92.8 -13.9 14.4 37.2 54.9 686 18 C K < + 0 0 5 -3,-1.4 2,-0.3 -4,-0.5 88,-0.1 -0.425 46.5 178.4 -71.6 140.3 15.4 35.3 51.7 687 19 C R - 0 0 104 86,-0.5 4,-0.2 -2,-0.1 222,-0.1 -0.955 36.4-124.4-140.2 159.3 19.0 34.0 51.4 688 20 C L S S+ 0 0 0 -2,-0.3 85,-1.2 220,-0.1 2,-0.3 0.837 93.3 17.1 -75.3 -37.6 20.9 32.0 48.8 689 21 C V S S+ 0 0 5 83,-0.2 83,-0.1 84,-0.1 3,-0.1 -0.899 120.6 21.0-130.9 159.2 22.0 29.2 51.1 690 22 C N S S+ 0 0 61 81,-0.5 2,-1.0 -2,-0.3 3,-0.2 0.778 73.3 150.2 58.2 32.2 21.0 27.9 54.6 691 23 C C + 0 0 14 -4,-0.2 -1,-0.2 1,-0.2 5,-0.1 -0.758 6.6 137.6-103.0 86.9 17.5 29.5 54.3 692 24 C N + 0 0 138 -2,-1.0 -1,-0.2 1,-0.1 -2,-0.1 0.362 55.0 78.7-106.4 -1.1 15.2 27.3 56.4 693 25 C Q S S+ 0 0 170 -8,-0.2 2,-0.3 -3,-0.2 -1,-0.1 0.668 93.7 46.2 -86.6 -20.1 13.3 30.1 58.1 694 26 C V S S- 0 0 35 -9,-0.1 2,-0.8 -13,-0.1 -13,-0.1 -0.824 98.3 -86.8-121.6 166.1 11.0 30.9 55.1 695 27 C D > - 0 0 34 -16,-0.3 3,-1.4 -2,-0.3 -14,-0.1 -0.567 29.8-169.0 -79.2 108.0 8.9 28.8 52.7 696 28 C V T 3 S+ 0 0 38 -2,-0.8 -1,-0.2 1,-0.3 78,-0.0 0.611 80.9 70.6 -69.0 -13.9 11.1 27.7 49.7 697 29 C N T 3 S+ 0 0 28 1,-0.0 2,-0.6 77,-0.0 -1,-0.3 0.504 83.4 78.0 -81.4 -11.9 8.0 26.5 47.9 698 30 C Q < - 0 0 2 -3,-1.4 378,-0.1 1,-0.2 434,-0.0 -0.929 63.3-161.9-105.6 119.1 6.7 30.0 47.2 699 31 C L + 0 0 2 -2,-0.6 77,-0.2 376,-0.3 -1,-0.2 0.884 51.8 121.2 -63.9 -40.6 8.4 31.8 44.4 700 32 C V + 0 0 1 427,-0.2 -19,-0.3 2,-0.1 2,-0.1 -0.489 52.8 32.3 -90.0 150.7 7.2 35.3 45.6 701 33 C P S S- 0 0 15 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.566 83.6-140.9 -79.9 144.1 8.3 37.8 46.4 702 34 C I + 0 0 12 1,-0.2 3,-0.1 -2,-0.1 -2,-0.1 -0.534 27.3 171.0 -69.2 124.9 11.4 37.5 44.1 703 35 C K + 0 0 55 -2,-0.3 2,-1.6 1,-0.2 3,-0.2 0.809 66.4 61.4 -94.8 -50.4 14.5 38.8 45.8 704 36 C Y >> + 0 0 11 1,-0.2 4,-1.8 2,-0.1 3,-0.6 -0.594 58.6 172.6 -86.4 84.9 17.2 37.8 43.4 705 37 C K H 3> S+ 0 0 138 -2,-1.6 4,-2.4 1,-0.2 -1,-0.2 0.822 76.1 60.3 -62.7 -32.6 16.2 39.7 40.3 706 38 C W H 3> S+ 0 0 67 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.869 105.3 47.9 -63.3 -35.5 19.5 38.7 38.6 707 39 C A H <> S+ 0 0 0 -3,-0.6 4,-2.2 2,-0.2 -2,-0.2 0.932 111.8 48.8 -70.2 -45.9 18.6 35.0 38.9 708 40 C W H X S+ 0 0 22 -4,-1.8 4,-2.7 1,-0.2 -2,-0.2 0.881 111.0 51.9 -59.3 -40.2 15.0 35.6 37.6 709 41 C E H X S+ 0 0 99 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.883 107.5 51.0 -65.1 -38.5 16.5 37.5 34.6 710 42 C H H X S+ 0 0 24 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.917 110.7 50.8 -64.6 -42.3 18.9 34.7 33.8 711 43 C Y H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.947 111.4 46.1 -55.2 -53.3 15.8 32.4 33.9 712 44 C L H X S+ 0 0 50 -4,-2.7 4,-1.6 1,-0.2 -2,-0.2 0.885 113.5 49.7 -60.4 -40.6 13.8 34.6 31.5 713 45 C N H < S+ 0 0 83 -4,-2.5 4,-0.4 1,-0.2 -1,-0.2 0.907 110.4 49.4 -67.2 -41.0 16.8 35.0 29.1 714 46 C G H >< S+ 0 0 0 -4,-2.6 3,-1.0 1,-0.2 -2,-0.2 0.877 108.2 53.6 -64.0 -36.8 17.5 31.3 29.0 715 47 C C H >< S+ 0 0 3 -4,-2.1 3,-1.0 1,-0.2 -1,-0.2 0.850 102.8 58.1 -65.5 -35.3 13.8 30.6 28.3 716 48 C A T 3< S+ 0 0 74 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.625 97.7 66.8 -66.9 -12.7 14.0 33.0 25.3 717 49 C N T < + 0 0 23 -3,-1.0 -1,-0.2 -4,-0.4 -2,-0.1 0.129 67.3 155.4 -99.3 19.4 16.8 30.8 23.9 718 50 C N < + 0 0 46 -3,-1.0 2,-0.3 2,-0.0 -3,-0.1 -0.183 11.7 147.6 -48.9 133.1 14.9 27.6 23.1 719 51 C W - 0 0 7 171,-0.0 -2,-0.0 3,-0.0 3,-0.0 -0.970 32.1-146.8-157.9 162.8 16.5 25.5 20.4 720 52 C L > - 0 0 19 -2,-0.3 3,-2.2 1,-0.1 4,-0.3 -1.000 21.0-131.0-137.3 138.5 16.8 21.9 19.4 721 53 C P G > S+ 0 0 0 0, 0.0 3,-1.5 0, 0.0 -1,-0.1 0.799 106.3 64.7 -58.0 -27.2 19.7 20.1 17.7 722 54 C T G 3 S+ 0 0 76 1,-0.3 4,-0.1 -3,-0.0 72,-0.0 0.625 88.3 69.3 -71.5 -14.1 17.3 18.5 15.2 723 55 C E G < 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109.2 41.8 -58.7 -46.2 -0.7 14.5 29.7 1218 229 D I H X S+ 0 0 4 -4,-1.1 4,-2.8 -3,-0.5 -2,-0.2 0.893 111.3 55.7 -68.7 -41.4 2.9 13.6 29.0 1219 230 D H H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.933 111.6 44.4 -55.9 -45.2 3.9 13.8 32.6 1220 231 D L H X S+ 0 0 4 -4,-2.6 4,-2.5 2,-0.2 5,-0.2 0.903 111.4 52.2 -67.1 -45.6 1.2 11.3 33.5 1221 232 D N H X S+ 0 0 35 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.903 113.1 46.1 -54.0 -45.9 2.0 9.0 30.5 1222 233 D F H X S+ 0 0 0 -4,-2.8 4,-2.5 2,-0.2 -2,-0.2 0.919 111.6 49.7 -63.8 -48.1 5.7 9.0 31.6 1223 234 D G H X S+ 0 0 0 -4,-2.5 4,-2.5 -5,-0.2 -2,-0.2 0.892 112.9 47.7 -60.6 -40.7 4.9 8.3 35.3 1224 235 D I H X S+ 0 0 2 -4,-2.5 4,-2.7 1,-0.2 5,-0.2 0.928 112.6 48.7 -66.5 -45.1 2.6 5.4 34.4 1225 236 D D H X S+ 0 0 55 -4,-2.3 4,-2.2 -5,-0.2 -2,-0.2 0.874 112.8 49.1 -59.6 -39.0 5.2 4.0 32.1 1226 237 D L H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.925 111.4 47.6 -71.0 -43.1 7.8 4.3 34.8 1227 238 D I H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.940 115.8 45.2 -60.5 -48.0 5.6 2.6 37.5 1228 239 D N H X S+ 0 0 48 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.839 112.4 51.6 -66.2 -33.8 4.8 -0.2 35.1 1229 240 D G H X S+ 0 0 8 -4,-2.2 4,-2.1 -5,-0.2 -2,-0.2 0.907 109.9 48.4 -68.8 -40.7 8.4 -0.6 34.0 1230 241 D I H X S+ 0 0 0 -4,-2.4 4,-1.3 1,-0.2 -2,-0.2 0.923 112.4 49.8 -65.9 -43.5 9.6 -0.8 37.6 1231 242 D K H < S+ 0 0 28 -4,-2.2 3,-0.2 1,-0.2 -2,-0.2 0.896 109.8 50.6 -57.0 -48.4 6.9 -3.4 38.3 1232 243 D E H < S+ 0 0 157 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.899 115.1 42.3 -58.3 -44.0 7.9 -5.5 35.3 1233 244 D E H < S+ 0 0 40 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.648 127.8 31.8 -78.5 -17.4 11.6 -5.5 36.3 1234 245 D N >< + 0 0 26 -4,-1.3 3,-2.2 -3,-0.2 4,-0.3 -0.442 68.2 166.5-138.9 60.9 10.8 -6.1 40.0 1235 246 D P G > + 0 0 89 0, 0.0 3,-1.3 0, 0.0 -1,-0.1 0.718 68.1 72.6 -56.5 -24.5 7.6 -8.2 40.0 1236 247 D E G 3 S+ 0 0 108 1,-0.3 3,-0.1 -3,-0.1 -5,-0.1 0.701 88.1 61.6 -65.2 -21.3 8.1 -9.1 43.7 1237 248 D I G < S+ 0 0 0 -3,-2.2 2,-2.0 1,-0.2 -1,-0.3 0.739 81.9 84.5 -75.9 -21.3 7.1 -5.6 44.8 1238 249 D W < + 0 0 47 -3,-1.3 -1,-0.2 -4,-0.3 -2,-0.1 -0.340 64.1 156.6 -87.7 61.5 3.6 -5.8 43.4 1239 250 D T > - 0 0 36 -2,-2.0 4,-2.6 -3,-0.1 5,-0.2 -0.296 59.4-110.4 -80.9 161.4 2.0 -7.6 46.4 1240 251 D P H > S+ 0 0 93 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.831 121.4 55.8 -61.9 -25.3 -1.7 -7.6 47.3 1241 252 D E H > S+ 0 0 124 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.923 107.6 44.6 -71.1 -48.3 -0.6 -5.4 50.2 1242 253 D L H > S+ 0 0 2 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.937 113.1 53.1 -60.0 -44.8 1.1 -2.7 48.1 1243 254 D Q H X S+ 0 0 59 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.919 110.5 47.0 -56.7 -45.4 -1.9 -2.8 45.7 1244 255 D Q H X S+ 0 0 125 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.876 109.8 52.7 -63.7 -39.7 -4.3 -2.2 48.6 1245 256 D E H X S+ 0 0 85 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.871 110.2 49.3 -63.6 -36.4 -2.1 0.6 50.0 1246 257 D I H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.923 111.0 48.5 -68.5 -46.0 -2.2 2.3 46.6 1247 258 D V H X S+ 0 0 22 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.915 111.6 50.6 -59.6 -41.6 -6.0 1.9 46.3 1248 259 D E H X S+ 0 0 86 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.888 109.7 50.3 -64.9 -39.2 -6.3 3.4 49.9 1249 260 D L H X S+ 0 0 25 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.918 111.6 48.4 -61.2 -45.3 -4.1 6.3 49.0 1250 261 D I H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.908 109.1 52.9 -63.2 -42.4 -6.2 7.0 45.9 1251 262 D K H X S+ 0 0 78 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.883 109.7 48.8 -58.9 -41.4 -9.5 6.7 47.9 1252 263 D R H X S+ 0 0 106 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.907 112.1 49.4 -64.2 -42.9 -8.1 9.3 50.4 1253 264 D A H X S+ 0 0 0 -4,-2.3 4,-3.0 2,-0.2 5,-0.2 0.908 107.3 53.9 -62.7 -42.8 -7.1 11.6 47.4 1254 265 D V H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.923 109.9 48.0 -59.5 -42.9 -10.6 11.3 45.8 1255 266 D D H X S+ 0 0 84 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.920 112.2 48.7 -65.0 -44.4 -12.2 12.4 49.0 1256 267 D L H X S+ 0 0 26 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.894 112.2 49.0 -59.1 -44.6 -9.8 15.4 49.4 1257 268 D E H X S+ 0 0 0 -4,-3.0 4,-2.6 2,-0.2 -2,-0.2 0.903 110.4 50.5 -65.1 -40.8 -10.4 16.4 45.8 1258 269 D I H X S+ 0 0 31 -4,-2.5 4,-2.0 -5,-0.2 -2,-0.2 0.905 111.3 48.8 -61.9 -40.3 -14.2 16.2 46.2 1259 270 D E H X S+ 0 0 118 -4,-2.3 4,-1.7 1,-0.2 -1,-0.2 0.865 109.7 52.9 -67.7 -34.8 -13.9 18.4 49.3 1260 271 D Y H X S+ 0 0 0 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.911 107.9 49.7 -64.7 -44.9 -11.8 20.8 47.4 1261 272 D A H X S+ 0 0 0 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.885 108.4 54.0 -60.7 -40.1 -14.4 21.1 44.6 1262 273 D Q H < S+ 0 0 104 -4,-2.0 -1,-0.2 2,-0.2 -2,-0.2 0.895 108.8 48.4 -58.7 -41.9 -17.1 21.7 47.2 1263 274 D D H < S+ 0 0 25 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.864 113.1 48.6 -65.2 -36.5 -15.0 24.6 48.6 1264 275 D C H < S+ 0 0 1 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.831 122.4 33.5 -69.2 -32.8 -14.5 26.0 45.1 1265 276 D L < + 0 0 3 -4,-2.0 9,-0.5 -5,-0.1 -1,-0.2 -0.637 54.6 153.8-132.0 71.1 -18.2 25.7 44.3 1266 277 D P S S+ 0 0 46 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.802 85.1 27.2 -67.4 -26.0 -20.6 26.3 47.3 1267 278 D R S S- 0 0 140 -3,-0.1 5,-0.0 -205,-0.1 0, 0.0 -0.944 99.3 -93.7-130.5 154.5 -23.1 27.4 44.6 1268 279 D G - 0 0 30 -2,-0.3 2,-0.3 5,-0.1 5,-0.2 -0.237 32.2-169.6 -62.4 148.4 -23.5 26.4 41.0 1269 280 D I B > -D 1272 0D 21 3,-2.6 3,-2.6 -207,-0.1 -4,-0.0 -0.855 53.9 -54.9-125.1 172.4 -22.0 28.3 38.1 1270 281 D L T 3 S- 0 0 126 -2,-0.3 -71,-0.1 1,-0.3 3,-0.1 -0.213 124.5 -10.6 -54.6 118.2 -22.9 27.7 34.4 1271 282 D G T 3 S+ 0 0 56 1,-0.1 2,-0.4 -3,-0.0 -1,-0.3 0.511 119.6 95.5 74.3 3.5 -22.3 24.0 33.7 1272 283 D L B < +D 1269 0D 3 -3,-2.6 -3,-2.6 -77,-0.0 2,-0.3 -0.975 38.4 157.7-133.2 126.0 -20.5 23.4 37.0 1273 284 D R >> - 0 0 141 -2,-0.4 3,-1.5 -5,-0.2 4,-0.6 -0.989 46.2-120.4-140.3 144.5 -21.8 22.1 40.3 1274 285 D A H >> S+ 0 0 10 -9,-0.5 3,-1.2 -2,-0.3 4,-0.5 0.830 110.4 62.2 -53.3 -38.7 -19.9 20.5 43.2 1275 286 D S H >> S+ 0 0 66 1,-0.2 3,-1.1 2,-0.2 4,-1.0 0.820 93.5 62.8 -56.5 -33.8 -22.0 17.3 42.9 1276 287 D M H <> S+ 0 0 49 -3,-1.5 4,-2.5 1,-0.3 -1,-0.2 0.788 94.6 63.0 -66.1 -24.8 -20.7 16.7 39.4 1277 288 D F H <>S+ 0 0 0 -4,-2.7 5,-2.5 1,-0.2 3,-1.0 0.957 107.1 52.2 -57.2 -48.7 -6.2 2.7 38.5 1290 301 D E H ><5S+ 0 0 95 -4,-2.3 3,-1.7 1,-0.2 -1,-0.2 0.877 102.4 59.8 -54.1 -40.6 -6.7 0.8 35.2 1291 302 D R H 3<5S+ 0 0 102 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.770 107.9 43.9 -65.8 -25.8 -3.5 2.2 33.8 1292 303 D I T <<5S- 0 0 0 -4,-1.0 -1,-0.3 -3,-1.0 -2,-0.2 0.094 126.6 -95.7-105.5 21.9 -1.3 0.7 36.6 1293 304 D G T < 5S+ 0 0 59 -3,-1.7 2,-0.3 1,-0.3 -3,-0.2 0.656 83.7 126.1 81.3 18.9 -3.1 -2.7 36.5 1294 305 D L < - 0 0 11 -5,-2.5 -1,-0.3 -6,-0.2 -2,-0.1 -0.791 61.5-106.2-109.3 152.6 -5.7 -2.1 39.3 1295 306 D K - 0 0 177 -2,-0.3 -6,-0.0 1,-0.1 -1,-0.0 -0.482 34.8-104.4 -80.8 142.5 -9.4 -2.6 39.0 1296 307 D P - 0 0 33 0, 0.0 -1,-0.1 0, 0.0 -10,-0.1 -0.273 33.6-174.0 -55.0 150.9 -11.9 0.4 38.9 1297 308 D I S S+ 0 0 52 -15,-0.2 -15,-0.0 -50,-0.0 -2,-0.0 0.543 72.6 42.1-125.3 -16.4 -13.7 0.8 42.2 1298 309 D Y S S- 0 0 50 -16,-0.3 -15,-0.1 2,-0.1 -16,-0.1 0.824 71.6-160.7-103.4 -40.5 -16.3 3.6 41.7 1299 310 D H + 0 0 144 -17,-0.2 2,-0.1 1,-0.2 -16,-0.1 0.664 35.1 152.4 65.2 25.3 -17.8 2.8 38.2 1300 311 D T - 0 0 29 -21,-0.1 -1,-0.2 -22,-0.1 2,-0.1 -0.443 43.9-114.0 -85.5 156.7 -19.2 6.4 37.8 1301 312 D K - 0 0 174 -2,-0.1 -18,-0.3 1,-0.1 -1,-0.1 -0.398 29.8-106.8 -84.1 165.3 -19.8 8.1 34.5 1302 313 D N - 0 0 34 1,-0.1 -22,-0.1 -2,-0.1 -1,-0.1 -0.851 23.8-168.1 -95.1 112.3 -17.9 11.2 33.3 1303 314 D P S S+ 0 0 41 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 0.532 83.3 56.5 -75.8 -5.4 -20.1 14.4 33.5 1304 315 D F >> + 0 0 2 1,-0.1 3,-1.8 -28,-0.1 4,-0.6 -0.553 56.3 156.3-122.6 65.7 -17.5 16.3 31.5 1305 316 D P H >> + 0 0 82 0, 0.0 4,-1.0 0, 0.0 3,-0.8 0.811 69.4 70.8 -67.3 -24.3 -17.1 14.4 28.2 1306 317 D W H 3> S+ 0 0 44 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.709 89.0 65.6 -59.8 -22.1 -15.8 17.6 26.4 1307 318 D M H <> S+ 0 0 2 -3,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.883 97.0 51.9 -65.0 -43.0 -12.7 17.2 28.6 1308 319 D S H < S+ 0 0 40 -4,-2.1 3,-0.7 1,-0.2 -1,-0.2 0.946 108.2 50.9 -59.4 -47.7 -7.1 16.1 25.8 1312 323 D D H >< S+ 0 0 94 -4,-1.8 3,-1.3 1,-0.2 -1,-0.2 0.843 100.9 63.1 -60.7 -35.6 -7.3 14.1 22.5 1313 324 D L H 3< S+ 0 0 38 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.827 119.6 24.0 -60.3 -35.7 -6.6 17.3 20.4 1314 325 D N T << S+ 0 0 27 -4,-0.9 -1,-0.3 -3,-0.7 -2,-0.2 -0.079 91.1 145.0-124.4 33.6 -3.2 17.7 21.9 1315 326 D K < - 0 0 120 -3,-1.3 2,-0.1 1,-0.2 -3,-0.1 -0.159 60.0 -79.6 -67.0 164.3 -2.5 14.1 23.1 1316 327 D E - 0 0 23 1,-0.1 -1,-0.2 2,-0.1 -285,-0.1 -0.421 50.7 -98.1 -69.8 139.8 1.0 12.8 22.9 1317 328 D K 0 0 120 1,-0.3 -1,-0.1 -3,-0.1 -283,-0.1 -0.377 360.0 360.0 -48.7 130.0 2.4 11.5 19.6 1318 329 D N 0 0 192 -3,-0.1 -1,-0.3 -2,-0.0 -2,-0.1 0.445 360.0 360.0 61.8 360.0 2.0 7.7 19.5