==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 13-JUN-05 1ZYZ . COMPND 2 MOLECULE: RIBONUCLEOSIDE-DIPHOSPHATE REDUCTASE LARGE CHAIN . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR H.XU,C.FABER,T.UCHIKI,J.W.FAIRMAN,J.RACCA,C.DEALWIS . 1547 7 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 60610.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1039 67.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 78 5.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 68 4.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.3 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 . 6 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 83 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 174 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 545 35.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 25 1.6 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 6 4 8 6 2 4 7 5 5 3 1 4 3 1 0 0 0 2 0 0 0 0 0 0 0 2 0 RESIDUES PER ALPHA HELIX . 4 2 2 4 6 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 . 9 3 6 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 ANTIPARALLEL BRIDGES PER LADDER . 6 2 2 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 15 A F 0 0 259 0, 0.0 2,-0.3 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 167.8 51.3 -4.8 5.8 2 16 A D + 0 0 54 1,-0.1 24,-0.0 2,-0.0 0, 0.0 -0.788 360.0 130.5-115.9 143.7 51.9 -6.0 9.4 3 17 A K > + 0 0 144 -2,-0.3 3,-2.4 23,-0.0 4,-0.3 -0.093 47.9 125.5-152.4 32.1 50.5 -7.6 12.5 4 18 A I T 3> + 0 0 25 1,-0.3 4,-2.6 2,-0.2 3,-0.3 0.699 51.5 87.9 -56.8 -24.8 53.6 -9.8 12.7 5 19 A T H 3> S+ 0 0 16 1,-0.2 4,-2.8 2,-0.2 -1,-0.3 0.756 85.6 57.2 -43.5 -27.0 53.8 -8.4 16.3 6 20 A A H <> S+ 0 0 55 -3,-2.4 4,-1.3 2,-0.2 -1,-0.2 0.943 103.8 47.3 -71.8 -51.4 51.5 -11.4 16.8 7 21 A R H 4 S+ 0 0 86 -4,-0.3 4,-0.4 -3,-0.3 -2,-0.2 0.877 119.6 43.3 -52.8 -41.4 54.0 -13.9 15.4 8 22 A I H >< S+ 0 0 8 -4,-2.6 3,-1.5 1,-0.2 -2,-0.2 0.932 110.7 50.6 -73.0 -50.8 56.7 -12.2 17.6 9 23 A S H >< S+ 0 0 57 -4,-2.8 3,-0.8 1,-0.3 -1,-0.2 0.639 100.5 68.5 -67.2 -13.8 54.6 -11.8 20.9 10 24 A R T 3< S+ 0 0 213 -4,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.833 92.8 59.5 -65.7 -34.3 53.8 -15.5 20.6 11 25 A L T < S+ 0 0 32 -3,-1.5 2,-0.5 -4,-0.4 -1,-0.2 0.297 85.2 90.0 -88.2 9.1 57.5 -16.3 21.3 12 26 A C < + 0 0 14 -3,-0.8 2,-0.3 -4,-0.1 3,-0.0 -0.933 40.0 148.3-110.6 127.0 57.7 -14.6 24.7 13 27 A Y S S+ 0 0 130 -2,-0.5 -3,-0.0 1,-0.1 3,-0.0 -0.894 74.1 31.9-159.9 120.9 56.9 -16.7 27.8 14 28 A G S S+ 0 0 76 -2,-0.3 -1,-0.1 0, 0.0 -2,-0.0 0.542 104.2 128.7 86.2 18.2 58.6 -16.0 31.1 15 29 A L - 0 0 74 -3,-0.0 -3,-0.0 4,-0.0 -2,-0.0 0.325 58.3-139.0 -75.9-153.8 58.5 -12.5 29.5 16 30 A D >> - 0 0 63 38,-0.1 4,-2.6 -3,-0.0 3,-0.7 -0.455 11.6-140.1-173.8 111.5 57.2 -9.3 31.0 17 31 A P T 34 S+ 0 0 88 0, 0.0 5,-0.0 0, 0.0 -2,-0.0 0.563 106.1 46.0 -55.4 -13.0 55.2 -7.0 28.7 18 32 A K T 34 S+ 0 0 180 3,-0.1 -3,-0.0 1,-0.0 -2,-0.0 0.770 114.4 46.8 -93.1 -38.7 56.9 -3.9 30.2 19 33 A H T <4 S+ 0 0 81 -3,-0.7 35,-0.1 35,-0.0 36,-0.0 0.830 131.5 20.0 -62.7 -37.7 60.4 -5.5 29.9 20 34 A I S < S- 0 0 8 -4,-2.6 4,-0.1 31,-0.0 35,-0.1 0.644 71.1-174.3-105.1 -66.1 59.8 -6.6 26.3 21 35 A D >> - 0 0 62 2,-0.1 4,-0.9 3,-0.1 3,-0.7 0.797 14.0-156.6 59.6 82.0 56.9 -4.8 24.5 22 36 A A H 3> S+ 0 0 10 1,-0.2 4,-1.1 2,-0.2 -14,-0.1 0.738 91.5 67.0 -58.0 -25.2 56.5 -6.6 21.2 23 37 A V H >> S+ 0 0 85 1,-0.2 4,-1.2 2,-0.2 3,-0.6 0.938 95.5 52.6 -58.6 -51.6 55.0 -3.4 19.9 24 38 A K H <> S+ 0 0 100 -3,-0.7 4,-1.4 1,-0.2 -1,-0.2 0.808 102.2 61.6 -56.4 -34.3 58.3 -1.5 20.2 25 39 A V H 3< S+ 0 0 2 -4,-0.9 -1,-0.2 1,-0.2 -2,-0.2 0.883 100.1 51.8 -61.4 -44.2 60.1 -4.2 18.2 26 40 A T H X< S+ 0 0 26 -4,-1.1 3,-1.2 -3,-0.6 -1,-0.2 0.848 106.0 55.4 -64.4 -37.8 58.0 -3.7 15.0 27 41 A Q H 3< S+ 0 0 114 -4,-1.2 3,-0.4 1,-0.3 -1,-0.2 0.874 97.0 62.4 -63.2 -40.5 58.6 0.1 15.0 28 42 A R T 3< S+ 0 0 116 -4,-1.4 -1,-0.3 1,-0.3 -2,-0.2 0.498 82.7 85.1 -68.9 -0.8 62.4 -0.4 15.0 29 43 A I < + 0 0 42 -3,-1.2 2,-0.9 -4,-0.2 -1,-0.3 -0.148 58.6 160.2 -92.9 38.8 62.0 -2.1 11.6 30 44 A I 0 0 160 -3,-0.4 -3,-0.1 1,-0.2 -2,-0.0 -0.500 360.0 360.0 -61.7 100.3 62.0 1.3 9.8 31 45 A S 0 0 147 -2,-0.9 -1,-0.2 0, 0.0 -3,-0.0 0.574 360.0 360.0-107.2 360.0 62.9 0.2 6.2 32 ! 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 33 52 A T > 0 0 137 0, 0.0 4,-0.9 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -78.9 60.4 -12.4 1.4 34 53 A T H > + 0 0 86 1,-0.2 4,-1.0 2,-0.2 3,-0.1 0.812 360.0 52.9 -67.5 -31.7 58.5 -13.5 4.5 35 54 A I H > S+ 0 0 43 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.814 98.2 63.8 -72.0 -33.2 61.9 -14.9 5.7 36 55 A E H > S+ 0 0 114 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.851 103.0 48.9 -59.3 -38.3 63.7 -11.5 5.2 37 56 A L H X S+ 0 0 77 -4,-0.9 4,-2.7 2,-0.2 -1,-0.2 0.885 107.6 53.9 -68.9 -41.5 61.5 -9.8 7.8 38 57 A D H X S+ 0 0 23 -4,-1.0 4,-1.6 2,-0.2 -2,-0.2 0.844 105.8 53.6 -64.8 -37.8 62.1 -12.6 10.4 39 58 A N H X S+ 0 0 53 -4,-1.9 4,-2.4 2,-0.2 3,-0.3 0.945 112.7 42.9 -56.6 -53.4 65.9 -12.1 10.0 40 59 A L H X S+ 0 0 55 -4,-1.5 4,-2.9 1,-0.2 5,-0.4 0.872 109.3 59.7 -62.1 -38.1 65.6 -8.4 10.7 41 60 A A H X S+ 0 0 1 -4,-2.7 4,-1.0 1,-0.2 -1,-0.2 0.852 111.8 39.2 -59.3 -36.3 63.1 -9.2 13.5 42 61 A A H X S+ 0 0 3 -4,-1.6 4,-0.7 -3,-0.3 -2,-0.2 0.816 114.8 54.7 -82.9 -32.1 65.9 -11.3 15.1 43 62 A E H >X S+ 0 0 17 -4,-2.4 4,-2.0 2,-0.2 3,-1.2 0.983 114.6 37.2 -60.3 -61.0 68.6 -8.7 14.2 44 63 A T H 3X S+ 0 0 17 -4,-2.9 4,-1.0 1,-0.3 -1,-0.2 0.868 112.8 59.1 -61.1 -38.4 66.9 -5.7 15.8 45 64 A C H 3< S+ 0 0 0 -4,-1.0 14,-0.4 -5,-0.4 -1,-0.3 0.688 106.3 48.8 -67.5 -18.8 65.6 -7.9 18.6 46 65 A A H X< S+ 0 0 3 -3,-1.2 3,-2.3 -4,-0.7 -2,-0.2 0.892 100.5 65.1 -80.4 -46.5 69.3 -8.7 19.4 47 66 A Y H >< S+ 0 0 65 -4,-2.0 3,-0.7 1,-0.3 4,-0.3 0.718 94.8 61.5 -43.3 -29.8 70.2 -5.0 19.3 48 67 A M T 3X + 0 0 2 -4,-1.0 4,-2.5 1,-0.2 -1,-0.3 0.156 64.4 106.0 -93.3 17.7 68.0 -4.5 22.3 49 68 A T T <4 S+ 0 0 13 -3,-2.3 -1,-0.2 1,-0.2 6,-0.2 0.858 86.3 51.5 -61.0 -34.3 70.1 -6.8 24.5 50 69 A T T <4 S+ 0 0 20 -3,-0.7 -1,-0.2 -4,-0.2 -2,-0.2 0.941 105.5 53.1 -56.7 -55.9 71.1 -3.4 25.9 51 70 A V T 4 S- 0 0 80 -4,-0.3 -2,-0.2 1,-0.2 -1,-0.1 0.964 135.5 -15.8 -49.4 -64.2 67.5 -2.4 26.4 52 71 A H >< - 0 0 23 -4,-2.5 3,-1.9 1,-0.1 4,-0.3 -0.997 57.6-128.2-142.0 143.6 66.7 -5.6 28.4 53 72 A P T >> S+ 0 0 15 0, 0.0 3,-1.0 0, 0.0 4,-0.7 0.689 105.3 71.6 -59.9 -19.6 68.6 -8.9 28.8 54 73 A D H 3> S+ 0 0 52 1,-0.2 4,-0.9 2,-0.2 -5,-0.1 0.369 81.4 73.2 -78.2 3.0 65.4 -10.7 27.8 55 74 A Y H <> S+ 0 0 5 -3,-1.9 4,-2.4 -7,-0.2 -1,-0.2 0.757 88.0 59.7 -83.2 -28.5 65.9 -9.5 24.3 56 75 A A H <> S+ 0 0 33 -3,-1.0 4,-2.1 -4,-0.3 3,-0.2 0.974 107.1 46.4 -57.5 -55.1 68.7 -12.0 23.8 57 76 A T H X S+ 0 0 67 -4,-0.7 4,-2.0 1,-0.2 -1,-0.2 0.852 112.4 51.9 -56.5 -37.2 66.3 -14.8 24.6 58 77 A L H X S+ 0 0 6 -4,-0.9 4,-1.9 1,-0.2 -1,-0.2 0.895 108.9 48.5 -68.6 -40.8 63.8 -13.3 22.2 59 78 A A H X S+ 0 0 0 -4,-2.4 4,-2.2 -14,-0.4 -1,-0.2 0.827 109.2 53.1 -72.6 -33.3 66.2 -13.0 19.4 60 79 A A H X S+ 0 0 12 -4,-2.1 4,-2.8 2,-0.2 -2,-0.2 0.983 107.6 51.4 -59.7 -59.9 67.4 -16.6 19.8 61 80 A R H X S+ 0 0 45 -4,-2.0 4,-2.5 1,-0.2 5,-0.4 0.888 110.4 49.6 -44.3 -52.1 63.8 -17.9 19.6 62 81 A I H X S+ 0 0 4 -4,-1.9 4,-1.3 1,-0.2 -1,-0.2 0.970 113.1 44.4 -55.9 -56.8 63.1 -16.0 16.4 63 82 A A H X S+ 0 0 7 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.859 118.1 46.5 -55.1 -40.5 66.3 -17.2 14.6 64 83 A I H X S+ 0 0 0 -4,-2.8 4,-2.4 2,-0.2 3,-0.5 0.991 114.5 40.6 -69.1 -65.2 65.6 -20.8 15.8 65 84 A S H X S+ 0 0 24 -4,-2.5 4,-1.4 1,-0.3 -1,-0.2 0.618 114.5 58.7 -66.0 -6.8 61.9 -21.3 15.1 66 85 A N H X S+ 0 0 14 -4,-1.3 4,-1.6 -5,-0.4 -1,-0.3 0.880 104.2 48.1 -76.5 -48.3 62.7 -19.4 11.9 67 86 A L H < S+ 0 0 2 -4,-1.8 -2,-0.2 -3,-0.5 -3,-0.1 0.898 109.1 55.9 -56.9 -43.5 65.3 -22.1 11.0 68 87 A H H >< S+ 0 0 33 -4,-2.4 3,-1.3 1,-0.2 -2,-0.2 0.964 104.2 52.1 -52.8 -59.3 62.6 -24.7 11.8 69 88 A K H 3< S+ 0 0 176 -4,-1.4 2,-0.3 1,-0.3 -1,-0.2 0.856 113.7 43.5 -44.5 -45.0 60.1 -23.3 9.4 70 89 A Q T 3< S+ 0 0 76 -4,-1.6 2,-0.3 2,-0.1 -1,-0.3 -0.199 108.9 63.8-104.7 47.3 62.6 -23.3 6.5 71 90 A T S < S- 0 0 23 -3,-1.3 2,-0.5 -2,-0.3 74,-0.1 -0.974 89.3 -93.9-166.2 145.0 64.1 -26.7 7.0 72 91 A T - 0 0 57 73,-0.3 75,-0.2 -2,-0.3 6,-0.1 -0.569 29.3-150.4 -72.8 118.5 63.1 -30.4 6.9 73 92 A K S S+ 0 0 139 -2,-0.5 2,-0.4 -4,-0.1 -1,-0.1 0.877 70.3 79.2 -52.9 -44.8 62.1 -31.6 10.4 74 93 A Q >> - 0 0 80 1,-0.1 4,-1.8 2,-0.0 3,-0.7 -0.557 67.8-146.4 -91.0 125.6 63.1 -35.3 10.1 75 94 A F H 3> S+ 0 0 4 -2,-0.4 4,-2.8 1,-0.2 5,-0.2 0.861 94.0 53.4 -50.6 -54.5 66.7 -36.4 10.4 76 95 A S H 3> S+ 0 0 5 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.839 109.1 50.7 -57.0 -35.5 66.7 -39.3 7.9 77 96 A K H <> S+ 0 0 111 -3,-0.7 4,-2.8 2,-0.2 -1,-0.2 0.926 109.2 49.3 -70.2 -43.3 65.3 -37.1 5.1 78 97 A V H X S+ 0 0 5 -4,-1.8 4,-2.3 1,-0.2 5,-0.2 0.943 111.5 50.8 -58.0 -45.3 67.9 -34.5 5.6 79 98 A V H X S+ 0 0 4 -4,-2.8 4,-1.5 2,-0.2 -2,-0.2 0.891 109.1 52.1 -58.0 -40.9 70.5 -37.3 5.5 80 99 A E H >X S+ 0 0 51 -4,-2.3 4,-3.1 -5,-0.2 3,-0.9 0.983 109.3 47.9 -56.1 -59.1 68.9 -38.5 2.3 81 100 A D H 3X S+ 0 0 80 -4,-2.8 4,-1.2 1,-0.3 -2,-0.2 0.874 113.2 47.8 -50.3 -46.2 69.1 -35.0 0.6 82 101 A L H 3< S+ 0 0 2 -4,-2.3 14,-2.6 1,-0.2 15,-0.4 0.760 115.6 45.2 -69.0 -28.1 72.7 -34.6 1.7 83 102 A Y H << S+ 0 0 36 -4,-1.5 -2,-0.2 -3,-0.9 -1,-0.2 0.865 114.9 46.7 -81.4 -39.2 73.6 -38.0 0.4 84 103 A R H < S+ 0 0 134 -4,-3.1 -2,-0.2 -5,-0.2 -3,-0.2 0.568 79.1 139.2 -77.1 -14.5 71.7 -37.7 -2.9 85 104 A Y < - 0 0 40 -4,-1.2 9,-1.9 -5,-0.3 2,-0.5 -0.096 35.6-164.2 -43.3 109.0 73.2 -34.2 -3.6 86 105 A V B -A 93 0A 78 7,-0.2 2,-0.4 9,-0.0 5,-0.1 -0.881 38.0-100.7 -92.0 128.6 74.0 -34.0 -7.3 87 106 A N >> - 0 0 52 5,-2.1 4,-1.3 -2,-0.5 3,-1.1 -0.388 29.3-133.8 -60.6 110.8 76.2 -31.0 -7.8 88 107 A A T 34 S+ 0 0 82 -2,-0.4 -1,-0.1 1,-0.3 53,-0.0 0.698 98.7 26.3 -32.6 -43.2 74.0 -28.2 -9.2 89 108 A A T 34 S+ 0 0 98 1,-0.1 -1,-0.3 3,-0.1 -2,-0.1 0.591 120.4 50.2-105.8 -14.6 76.4 -27.2 -12.1 90 109 A T T <4 S- 0 0 84 -3,-1.1 2,-0.2 2,-0.2 -2,-0.2 0.352 87.3-136.7-110.2 4.8 78.5 -30.4 -12.8 91 110 A G < + 0 0 63 -4,-1.3 -3,-0.1 1,-0.1 -5,-0.0 0.244 67.0 109.5 64.9 -14.0 75.7 -33.0 -13.2 92 111 A K S S- 0 0 154 -2,-0.2 -5,-2.1 -5,-0.2 2,-0.3 -0.663 79.5 -88.9-105.8 152.4 77.6 -35.7 -11.2 93 112 A P B +A 86 0A 109 0, 0.0 -7,-0.2 0, 0.0 -8,-0.1 -0.358 41.1 173.0 -63.4 113.7 77.0 -37.2 -7.7 94 113 A A - 0 0 39 -9,-1.9 2,-0.1 -2,-0.3 -9,-0.1 -0.755 15.9-169.2-119.5 83.7 78.7 -35.1 -4.9 95 114 A P - 0 0 49 0, 0.0 -12,-0.2 0, 0.0 -11,-0.1 -0.397 18.4-162.6 -79.0 148.9 77.5 -36.7 -1.7 96 115 A M S S+ 0 0 41 -14,-2.6 2,-0.3 -17,-0.2 -13,-0.2 0.491 72.4 65.9-111.1 -6.8 78.1 -35.1 1.7 97 116 A I S S- 0 0 4 -15,-0.4 94,-0.3 94,-0.2 2,-0.1 -0.871 90.5-109.2-106.8 146.5 77.5 -38.0 4.0 98 117 A S > - 0 0 19 92,-1.9 4,-2.5 -2,-0.3 5,-0.2 -0.403 23.4-120.2 -68.7 153.3 79.8 -41.1 3.9 99 118 A D H > S+ 0 0 98 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.916 114.0 54.0 -56.4 -44.5 78.4 -44.3 2.4 100 119 A D H > S+ 0 0 51 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.932 111.6 40.5 -56.7 -55.0 78.9 -46.0 5.8 101 120 A V H > S+ 0 0 4 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.836 110.5 58.6 -70.5 -34.8 77.0 -43.5 7.9 102 121 A Y H X S+ 0 0 24 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.910 108.4 47.8 -56.3 -41.9 74.2 -43.2 5.3 103 122 A N H X S+ 0 0 66 -4,-2.0 4,-3.5 -5,-0.2 -2,-0.2 0.949 111.0 48.9 -66.4 -48.5 73.7 -46.9 5.7 104 123 A I H X S+ 0 0 0 -4,-2.2 4,-1.4 2,-0.2 -2,-0.2 0.903 112.8 48.8 -54.7 -44.1 73.7 -46.8 9.5 105 124 A V H >< S+ 0 0 1 -4,-2.8 3,-0.6 2,-0.2 -2,-0.2 0.967 115.3 42.8 -64.3 -50.8 71.1 -43.9 9.4 106 125 A M H >< S+ 0 0 47 -4,-2.6 3,-1.1 1,-0.2 -2,-0.2 0.919 113.4 52.2 -61.9 -44.7 68.9 -45.7 6.9 107 126 A E H 3< S+ 0 0 41 -4,-3.5 -1,-0.2 1,-0.2 -2,-0.2 0.741 123.9 28.8 -62.6 -23.3 69.2 -49.1 8.7 108 127 A N T S+ 0 0 67 -3,-1.1 4,-3.2 1,-0.2 5,-0.2 0.811 70.8 46.4 -57.4 -40.7 66.0 -44.6 10.9 110 129 A D H > S+ 0 0 126 2,-0.2 4,-2.1 -4,-0.2 -1,-0.2 0.970 114.3 45.3 -66.3 -52.7 63.1 -45.0 13.4 111 130 A K H 4 S+ 0 0 121 1,-0.2 -2,-0.2 2,-0.2 4,-0.2 0.933 121.5 41.4 -56.5 -46.5 65.2 -45.4 16.5 112 131 A L H >X S+ 0 0 0 -4,-2.5 3,-2.1 -7,-0.2 4,-1.1 0.965 111.7 52.7 -63.9 -60.1 67.3 -42.4 15.4 113 132 A N H 3< S+ 0 0 22 -4,-3.2 -38,-0.2 1,-0.3 -1,-0.2 0.803 112.3 45.3 -47.9 -38.3 64.6 -40.1 14.1 114 133 A S T 3< S+ 0 0 99 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.350 100.6 67.2 -97.4 7.1 62.5 -40.3 17.3 115 134 A A T <4 S+ 0 0 26 -3,-2.1 -1,-0.2 -4,-0.2 -2,-0.2 0.841 79.4 96.2 -85.5 -38.1 65.5 -39.8 19.7 116 135 A I < - 0 0 15 -4,-1.1 2,-0.6 -3,-0.1 3,-0.0 -0.185 61.8-154.8 -52.7 134.8 66.1 -36.2 18.6 117 136 A V > - 0 0 54 1,-0.1 3,-1.8 32,-0.0 4,-0.1 -0.930 3.4-166.3-111.2 103.6 64.4 -33.5 20.7 118 137 A Y G > S+ 0 0 31 -2,-0.6 3,-1.1 1,-0.3 4,-0.1 0.615 81.1 74.2 -69.3 -9.3 64.0 -30.5 18.3 119 138 A D G > S+ 0 0 124 1,-0.2 3,-2.3 2,-0.2 -1,-0.3 0.774 79.9 73.1 -66.2 -26.4 63.3 -28.3 21.4 120 139 A R G X S+ 0 0 43 -3,-1.8 3,-1.1 1,-0.3 -1,-0.2 0.516 75.2 79.1 -74.9 -4.0 67.0 -28.4 22.2 121 140 A D G X S+ 0 0 0 -3,-1.1 3,-0.7 1,-0.2 -1,-0.3 0.710 82.7 67.5 -67.6 -21.2 67.6 -26.1 19.3 122 141 A F G < S+ 0 0 58 -3,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.218 75.4 88.1 -84.7 16.8 66.5 -23.4 21.7 123 142 A Q G < S+ 0 0 72 -3,-1.1 2,-0.5 52,-0.1 -1,-0.2 0.300 70.3 99.3 -93.3 9.6 69.6 -23.9 23.8 124 143 A Y S < S- 0 0 12 -3,-0.7 -60,-0.1 -67,-0.1 472,-0.1 -0.879 72.6-127.1-113.2 123.0 71.6 -21.5 21.8 125 144 A S > - 0 0 47 -2,-0.5 4,-2.8 470,-0.3 5,-0.2 -0.157 39.5-110.1 -34.5 145.7 72.5 -17.9 22.3 126 145 A Y H > S+ 0 0 15 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.933 122.3 45.4 -54.2 -44.5 71.5 -15.9 19.2 127 146 A F H > S+ 0 0 18 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.890 109.9 53.4 -71.4 -40.9 75.2 -15.5 18.5 128 147 A G H > S+ 0 0 0 2,-0.2 4,-1.8 1,-0.2 3,-0.5 0.939 109.4 49.7 -54.5 -51.2 76.0 -19.1 19.2 129 148 A F H X S+ 0 0 0 -4,-2.8 4,-2.8 1,-0.2 -2,-0.2 0.934 108.9 51.7 -52.8 -49.8 73.3 -20.1 16.7 130 149 A K H X S+ 0 0 20 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.765 104.9 56.5 -63.2 -26.6 74.7 -17.8 14.0 131 150 A T H X S+ 0 0 9 -4,-1.5 4,-1.6 -3,-0.5 5,-0.3 0.925 111.1 43.7 -69.3 -45.6 78.2 -19.2 14.4 132 151 A L H X>S+ 0 0 5 -4,-1.8 4,-3.0 -3,-0.2 5,-1.9 0.951 113.9 51.3 -55.6 -55.1 76.8 -22.7 13.7 133 152 A E H <5S+ 0 0 43 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.889 109.6 49.6 -55.1 -44.3 74.7 -21.4 10.9 134 153 A R H <5S+ 0 0 119 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.868 133.0 0.8 -68.5 -36.7 77.6 -19.6 9.2 135 154 A S H <5S+ 0 0 43 -4,-1.6 -2,-0.2 -3,-0.3 -3,-0.2 0.550 127.2 44.2-131.0 -8.8 80.2 -22.4 9.1 136 155 A Y T <5S+ 0 0 7 -4,-3.0 2,-0.4 -5,-0.3 -3,-0.2 0.791 81.4 84.3-117.2 -39.7 79.0 -25.7 10.6 137 156 A L S - 0 0 11 -2,-0.3 4,-2.0 -75,-0.2 3,-0.2 -0.488 40.6-102.7 -72.2 160.7 69.2 -28.2 12.1 148 167 A P H > S+ 0 0 1 0, 0.0 4,-2.2 0, 0.0 3,-0.2 0.947 124.8 55.7 -46.9 -51.1 71.6 -28.1 15.1 149 168 A Q H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.866 106.1 51.3 -53.3 -39.6 70.1 -31.4 16.3 150 169 A H H > S+ 0 0 1 -3,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.918 106.4 53.3 -62.0 -46.3 71.0 -33.0 12.9 151 170 A L H X S+ 0 0 6 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.904 111.8 47.6 -53.8 -42.8 74.6 -31.8 13.1 152 171 A I H X S+ 0 0 7 -4,-2.2 4,-3.1 2,-0.2 -2,-0.2 0.955 111.5 47.1 -68.5 -51.0 74.8 -33.4 16.5 153 172 A M H X S+ 0 0 0 -4,-2.6 4,-2.8 2,-0.2 5,-0.3 0.914 113.1 50.8 -52.7 -46.3 73.3 -36.8 15.5 154 173 A R H X S+ 0 0 3 -4,-3.0 4,-2.8 1,-0.2 -1,-0.2 0.933 111.7 46.9 -58.2 -47.3 75.5 -36.8 12.5 155 174 A V H X S+ 0 0 0 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.907 111.6 51.5 -60.7 -43.2 78.6 -36.1 14.7 156 175 A A H X S+ 0 0 0 -4,-3.1 4,-2.8 1,-0.2 5,-0.2 0.920 113.8 43.4 -60.4 -46.4 77.5 -38.8 17.1 157 176 A L H X S+ 0 0 0 -4,-2.8 4,-2.1 2,-0.2 -1,-0.2 0.839 108.9 59.1 -66.2 -36.5 77.1 -41.4 14.3 158 177 A G H < S+ 0 0 3 -4,-2.8 -2,-0.2 -5,-0.3 -1,-0.2 0.895 115.2 35.8 -57.1 -40.9 80.4 -40.1 12.8 159 178 A I H < S+ 0 0 0 -4,-2.0 -2,-0.2 -5,-0.1 -1,-0.2 0.895 127.2 33.1 -77.7 -44.6 82.1 -41.1 16.1 160 179 A H H >< S- 0 0 9 -4,-2.8 3,-2.2 1,-0.2 -3,-0.2 0.683 76.7-176.2 -98.7 -14.6 80.2 -44.2 17.1 161 180 A G T 3< S+ 0 0 1 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.1 -0.366 76.7 1.3 58.2-121.0 79.3 -45.9 13.8 162 181 A R T 3 S+ 0 0 62 1150,-0.2 2,-1.8 -2,-0.2 -1,-0.3 0.497 107.1 99.4 -80.3 -1.1 77.2 -49.0 14.5 163 182 A D <> + 0 0 53 -3,-2.2 4,-1.4 1,-0.2 -1,-0.1 -0.563 45.9 168.9 -82.6 79.7 77.3 -48.4 18.2 164 183 A I H > S+ 0 0 17 -2,-1.8 4,-2.7 1147,-0.2 5,-0.2 0.832 71.8 56.8 -64.6 -34.4 73.8 -46.8 18.3 165 184 A E H > S+ 0 0 168 1,-0.2 4,-1.8 -3,-0.2 -1,-0.2 0.959 109.8 43.8 -59.1 -51.1 73.6 -46.9 22.1 166 185 A A H > S+ 0 0 16 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.736 114.6 51.8 -68.5 -23.2 76.8 -45.0 22.5 167 186 A A H X S+ 0 0 0 -4,-1.4 4,-3.5 2,-0.2 -1,-0.2 0.895 106.3 51.2 -80.1 -44.7 75.7 -42.6 19.8 168 187 A L H X S+ 0 0 34 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.891 112.5 48.7 -58.2 -39.3 72.3 -41.9 21.4 169 188 A E H X S+ 0 0 81 -4,-1.8 4,-2.6 2,-0.2 5,-0.3 0.964 112.5 46.1 -65.6 -52.4 74.1 -41.1 24.6 170 189 A T H X S+ 0 0 0 -4,-1.9 4,-2.3 1,-0.2 5,-0.3 0.884 111.2 54.1 -60.4 -39.3 76.6 -38.8 22.9 171 190 A Y H X S+ 0 0 0 -4,-3.5 4,-2.8 2,-0.2 -1,-0.2 0.944 110.2 47.1 -58.3 -45.8 73.7 -37.2 21.1 172 191 A N H X S+ 0 0 54 -4,-2.4 4,-1.4 1,-0.2 -2,-0.2 0.968 113.4 45.2 -63.0 -53.1 72.0 -36.5 24.4 173 192 A L H <>S+ 0 0 21 -4,-2.6 5,-2.6 1,-0.2 6,-0.5 0.880 116.9 46.2 -58.1 -38.9 75.0 -35.1 26.3 174 193 A M H ><5S+ 0 0 9 -4,-2.3 3,-2.1 -5,-0.3 -1,-0.2 0.953 110.3 50.8 -72.8 -45.5 75.9 -32.9 23.4 175 194 A S H 3<5S+ 0 0 0 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.705 108.4 54.4 -64.1 -19.5 72.5 -31.6 22.7 176 195 A L T 3<5S- 0 0 64 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.138 117.2-118.0 -95.9 20.0 72.2 -30.7 26.4 177 196 A K T < 5S+ 0 0 25 -3,-2.1 -3,-0.2 2,-0.1 256,-0.2 0.789 72.6 134.3 46.4 41.1 75.5 -28.7 26.0 178 197 A Y S - 0 0 15 244,-2.5 4,-2.0 -2,-0.2 3,-0.5 -0.168 46.9 -95.8 -65.9 159.9 86.6 -29.7 18.2 183 202 A S H > S+ 0 0 21 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.847 121.1 54.4 -43.7 -52.8 85.7 -27.8 15.0 184 203 A P H > S+ 0 0 10 0, 0.0 4,-2.9 0, 0.0 5,-0.4 0.917 108.6 50.3 -54.1 -45.4 87.1 -30.4 12.6 185 204 A T H > S+ 0 0 0 11,-0.6 4,-2.6 -3,-0.5 -2,-0.2 0.953 111.2 47.9 -56.1 -48.5 85.0 -33.1 14.2 186 205 A L H < S+ 0 0 5 -4,-2.0 -1,-0.2 1,-0.2 -3,-0.1 0.864 116.9 44.3 -62.3 -33.6 81.9 -30.9 13.9 187 206 A F H < S+ 0 0 16 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.924 128.4 20.4 -70.0 -48.8 82.7 -30.2 10.2 188 207 A N H >< S+ 0 0 35 -4,-2.9 3,-2.1 7,-0.2 -3,-0.2 0.508 79.5 119.9-113.3 -12.4 83.7 -33.6 9.0 189 208 A A T 3< S+ 0 0 0 -4,-2.6 -31,-0.1 -5,-0.4 -33,-0.1 -0.419 91.2 14.1 -60.2 131.7 82.3 -36.3 11.2 190 209 A G T 3 S+ 0 0 3 1,-0.3 -92,-1.9 -32,-0.2 -1,-0.3 0.570 103.7 116.5 81.9 12.2 80.0 -38.4 9.0 191 210 A T S < S- 0 0 19 -3,-2.1 -1,-0.3 -94,-0.3 -94,-0.2 -0.767 82.6 -85.6-116.1 155.9 81.3 -37.0 5.7 192 211 A P S S+ 0 0 59 0, 0.0 -93,-0.1 0, 0.0 -92,-0.1 0.707 121.5 18.2 -31.3 -48.4 83.1 -38.7 2.8 193 212 A K S S- 0 0 133 2,-0.1 2,-1.3 -95,-0.0 277,-0.1 -0.596 83.9-153.6-130.1 84.0 86.6 -38.4 4.2 194 213 A P + 0 0 25 0, 0.0 276,-2.6 0, 0.0 2,-0.8 -0.292 19.0 174.7 -68.3 88.2 86.3 -37.7 7.9 195 214 A Q + 0 0 3 -2,-1.3 -7,-0.2 274,-0.2 -8,-0.1 -0.849 13.4 157.6 -87.4 110.3 89.3 -35.8 8.9 196 215 A M + 0 0 1 -2,-0.8 -11,-0.6 269,-0.1 230,-0.4 0.437 31.6 104.4-119.6 -4.6 88.4 -35.0 12.5 197 216 A S - 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q 0 759I 38 315,-0.3 -5,-3.8 -5,-0.1 2,-0.3 -0.998 63.4-163.4-135.0 137.0 72.7 -22.6 47.8 444 463 A S E -Pq 437 760I 2 315,-2.5 317,-2.6 -2,-0.4 2,-0.3 -0.753 4.4-171.5-112.9 163.4 74.7 -24.0 44.8 445 464 A T E -P 436 0I 2 -9,-2.8 -9,-3.4 -2,-0.3 2,-0.6 -0.934 22.2-123.1-149.7 158.8 76.9 -27.0 44.5 446 465 A Y E -P 435 0I 0 315,-0.5 2,-1.7 -2,-0.3 324,-0.3 -0.933 20.1-140.9-118.4 114.5 79.4 -28.4 41.9 447 466 A N > + 0 0 22 -13,-2.7 4,-2.0 -2,-0.6 5,-0.1 -0.472 27.5 168.8 -78.4 83.3 78.7 -32.0 40.7 448 467 A F H > S+ 0 0 5 -2,-1.7 4,-2.1 2,-0.2 -1,-0.2 0.642 77.2 59.9 -66.0 -16.8 82.1 -33.6 40.3 449 468 A K H > S+ 0 0 106 2,-0.2 4,-2.6 3,-0.1 -1,-0.2 0.965 106.7 43.7 -77.4 -51.7 80.5 -37.0 40.0 450 469 A K H > S+ 0 0 79 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.886 115.0 52.1 -49.8 -42.6 78.5 -36.0 36.9 451 470 A L H X S+ 0 0 0 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.944 108.0 49.5 -64.8 -48.5 81.7 -34.3 35.6 452 471 A H H X S+ 0 0 11 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.927 112.1 50.7 -50.9 -48.2 83.8 -37.5 36.2 453 472 A E H >X S+ 0 0 84 -4,-2.6 4,-1.7 1,-0.2 3,-1.2 0.977 110.7 45.6 -57.4 -67.4 81.1 -39.4 34.3 454 473 A I H 3X S+ 0 0 2 -4,-2.4 4,-2.9 1,-0.3 -1,-0.2 0.778 108.9 56.8 -44.0 -39.2 80.9 -37.1 31.2 455 474 A A H 3X S+ 0 0 0 -4,-2.3 4,-2.9 2,-0.2 -1,-0.3 0.890 105.3 51.7 -65.8 -36.5 84.7 -37.0 31.0 456 475 A K H X S+ 0 0 1 -4,-2.2 4,-2.0 2,-0.2 3,-0.6 0.936 110.7 48.1 -57.9 -51.0 84.6 -40.8 22.1 462 481 A L H 3X S+ 0 0 0 -4,-2.6 4,-1.6 1,-0.3 -1,-0.2 0.890 109.1 54.7 -63.5 -36.1 88.1 -39.4 21.4 463 482 A N H 3X S+ 0 0 6 -4,-1.8 4,-0.7 -5,-0.3 -1,-0.3 0.832 108.6 48.7 -65.7 -29.9 89.4 -42.9 21.6 464 483 A R H > S- 0 0 13 1,-0.1 4,-1.4 -52,-0.1 3,-1.1 -0.989 77.4-122.8-138.1 151.7 99.2 -38.6 5.5 474 493 A E H 3> S+ 0 0 170 -2,-0.3 4,-2.6 1,-0.3 5,-0.2 0.812 108.5 62.5 -64.5 -27.7 100.7 -42.0 6.3 475 494 A E H 3> S+ 0 0 33 2,-0.2 4,-1.5 1,-0.2 -54,-1.2 0.824 102.8 51.7 -65.0 -32.5 103.0 -40.6 9.0 476 495 A A H <> S+ 0 0 0 -3,-1.1 4,-2.7 2,-0.2 5,-0.2 0.962 111.4 44.6 -67.4 -54.2 99.9 -39.4 11.0 477 496 A R H X S+ 0 0 119 -4,-1.4 4,-2.2 1,-0.2 5,-0.3 0.907 110.3 55.5 -57.1 -43.6 98.2 -42.8 10.9 478 497 A K H X S+ 0 0 87 -4,-2.6 4,-0.9 1,-0.2 -1,-0.2 0.904 113.6 41.1 -56.8 -42.3 101.5 -44.6 11.8 479 498 A S H X S+ 0 0 1 -4,-1.5 4,-2.0 -58,-0.3 5,-0.4 0.915 112.9 51.5 -72.9 -47.1 101.9 -42.5 14.9 480 499 A N H X S+ 0 0 0 -4,-2.7 4,-2.1 -59,-0.3 -2,-0.2 0.865 108.8 49.8 -67.2 -35.7 98.3 -42.4 16.1 481 500 A M H < S+ 0 0 71 -4,-2.2 58,-0.5 -5,-0.2 -1,-0.3 0.792 112.9 49.8 -72.0 -26.0 97.8 -46.2 16.0 482 501 A R H < S+ 0 0 82 -4,-0.9 58,-1.3 -3,-0.4 57,-0.2 0.875 129.7 13.2 -76.6 -38.6 101.1 -46.6 18.0 483 502 A H H < S- 0 0 1 -4,-2.0 98,-1.9 56,-0.2 99,-0.2 0.576 77.7-153.4-121.6 -16.9 100.4 -44.2 20.9 484 503 A R < - 0 0 2 -4,-2.1 98,-0.3 -5,-0.4 97,-0.2 0.831 24.1-175.0 42.9 54.7 96.7 -43.3 20.7 485 504 A P - 0 0 0 0, 0.0 -60,-0.4 0, 0.0 2,-0.3 -0.358 3.5-169.8 -76.5 163.8 97.0 -39.9 22.4 486 505 A I - 0 0 0 96,-1.5 2,-0.5 -62,-0.1 -60,-0.1 -0.979 14.6-141.9-153.5 151.8 94.0 -37.8 23.2 487 506 A A E +d 426 0C 0 -62,-2.1 -60,-1.7 -2,-0.3 2,-0.4 -0.881 14.7 179.3-129.7 105.8 93.2 -34.3 24.3 488 507 A L E +de 427 584C 0 95,-3.1 97,-2.6 -2,-0.5 2,-0.3 -0.823 14.8 166.3 -91.0 139.8 90.5 -33.3 26.7 489 508 A G E -d 428 0C 1 -62,-2.3 -60,-2.1 -2,-0.4 2,-0.2 -0.858 24.2-122.9-139.6-176.6 90.1 -29.7 27.6 490 509 A V E -d 429 0C 0 -62,-0.3 2,-0.3 -2,-0.3 -60,-0.2 -0.716 14.4-164.2-123.3 166.2 87.5 -27.4 29.3 491 510 A Q E +d 430 0C 0 -62,-1.8 -60,-2.1 -2,-0.2 110,-0.2 -0.984 64.9 34.6-148.9 158.7 85.5 -24.4 28.5 492 511 A G > + 0 0 0 107,-1.7 4,-1.7 -2,-0.3 5,-0.2 0.640 59.0 144.9 75.7 16.7 83.5 -21.8 30.5 493 512 A L H > S+ 0 0 1 108,-1.9 4,-1.8 1,-0.2 3,-0.3 0.908 77.1 50.0 -43.7 -48.6 85.8 -21.7 33.6 494 513 A A H > S+ 0 0 3 109,-0.5 4,-2.1 1,-0.2 -1,-0.2 0.895 107.5 51.3 -61.9 -46.1 85.0 -18.1 33.9 495 514 A D H > S+ 0 0 10 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.786 109.3 52.0 -64.4 -26.4 81.2 -18.5 33.6 496 515 A T H X S+ 0 0 0 -4,-1.7 4,-2.1 -3,-0.3 -1,-0.2 0.872 107.5 50.3 -84.6 -30.6 81.3 -21.0 36.3 497 516 A F H <>S+ 0 0 3 -4,-1.8 5,-4.1 -5,-0.2 -2,-0.2 0.870 115.1 45.7 -66.2 -36.7 83.2 -18.8 38.7 498 517 A M H ><5S+ 0 0 13 -4,-2.1 3,-2.8 3,-0.2 -2,-0.2 0.980 111.7 49.3 -71.2 -53.0 80.6 -16.1 38.0 499 518 A L H 3<5S+ 0 0 68 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.875 114.8 46.1 -50.8 -40.6 77.6 -18.4 38.3 500 519 A L T 3<5S- 0 0 1 -4,-2.1 260,-0.4 -5,-0.2 -1,-0.3 0.287 115.1-119.8 -85.4 10.5 79.1 -19.6 41.6 501 520 A R T < 5 + 0 0 56 -3,-2.8 -3,-0.2 1,-0.2 -2,-0.1 0.880 64.0 145.9 47.3 44.1 79.8 -16.0 42.7 502 521 A L < - 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0 0 36 -4,-2.1 3,-1.6 -32,-0.0 4,-0.3 -0.938 53.3-123.7-163.6 147.3 78.3 -103.4 38.0 831 72 B P T >> S+ 0 0 15 0, 0.0 4,-0.9 0, 0.0 3,-0.6 0.595 107.2 73.4 -62.0 -12.7 78.0 -99.9 36.3 832 73 B D H 3> S+ 0 0 45 1,-0.2 4,-0.9 -35,-0.2 -5,-0.1 0.631 82.3 67.1 -78.3 -14.7 79.2 -98.5 39.7 833 74 B Y H <> S+ 0 0 7 -3,-1.6 4,-1.6 -7,-0.3 -1,-0.2 0.703 94.8 57.6 -79.0 -18.5 82.7 -99.8 39.0 834 75 B A H <> S+ 0 0 29 -3,-0.6 4,-2.6 -4,-0.3 3,-0.4 0.974 105.5 49.6 -63.7 -58.9 82.9 -97.2 36.1 835 76 B T H X S+ 0 0 69 -4,-0.9 4,-1.4 1,-0.2 -2,-0.2 0.746 112.4 49.5 -50.0 -30.7 82.2 -94.4 38.6 836 77 B L H X S+ 0 0 15 -4,-0.9 4,-2.0 2,-0.2 -1,-0.2 0.868 108.6 48.7 -84.5 -37.6 84.9 -95.8 40.8 837 78 B A H X S+ 0 0 0 -4,-1.6 4,-2.4 -3,-0.4 -2,-0.2 0.906 110.3 54.0 -66.8 -41.8 87.6 -96.1 38.3 838 79 B A H X S+ 0 0 9 -4,-2.6 4,-3.0 1,-0.2 5,-0.3 0.927 109.5 47.7 -54.6 -50.3 86.9 -92.6 37.1 839 80 B R H X S+ 0 0 40 -4,-1.4 4,-2.5 2,-0.2 -1,-0.2 0.876 110.8 49.8 -62.0 -40.7 87.3 -91.3 40.6 840 81 B I H X S+ 0 0 7 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.927 114.9 46.6 -63.6 -39.6 90.6 -93.1 41.2 841 82 B A H X S+ 0 0 9 -4,-2.4 4,-1.6 2,-0.2 -2,-0.2 0.895 116.1 41.2 -70.2 -46.6 91.8 -91.7 37.9 842 83 B I H X S+ 0 0 0 -4,-3.0 4,-2.6 2,-0.2 -1,-0.2 0.910 113.7 55.2 -68.1 -42.1 90.8 -88.1 38.5 843 84 B S H X S+ 0 0 31 -4,-2.5 4,-1.9 -5,-0.3 -2,-0.2 0.886 108.5 47.6 -57.1 -44.2 91.9 -88.3 42.1 844 85 B N H X S+ 0 0 22 -4,-2.1 4,-2.8 2,-0.2 -1,-0.2 0.855 108.9 53.8 -66.1 -38.0 95.4 -89.4 41.0 845 86 B L H X S+ 0 0 15 -4,-1.6 4,-0.7 2,-0.2 -2,-0.2 0.944 108.1 50.5 -59.9 -49.6 95.6 -86.7 38.4 846 87 B H H >< S+ 0 0 33 -4,-2.6 3,-0.7 1,-0.2 -2,-0.2 0.893 113.7 45.2 -54.3 -44.3 94.8 -84.1 41.1 847 88 B K H 3< S+ 0 0 162 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.914 114.4 48.5 -67.8 -39.3 97.5 -85.6 43.4 848 89 B Q H 3< S+ 0 0 81 -4,-2.8 2,-0.3 -5,-0.1 -1,-0.2 0.493 110.9 60.0 -77.4 -3.0 100.0 -85.7 40.5 849 90 B T S << S- 0 0 18 -4,-0.7 2,-0.2 -3,-0.7 74,-0.1 -0.898 86.7 -98.6-137.4 151.8 99.4 -82.2 39.3 850 91 B T - 0 0 57 -2,-0.3 75,-0.2 73,-0.2 6,-0.1 -0.456 27.7-151.8 -69.2 138.4 99.5 -78.5 40.5 851 92 B K + 0 0 133 -2,-0.2 2,-0.3 -4,-0.1 -1,-0.1 0.944 67.4 83.1 -78.9 -48.7 96.2 -77.1 41.6 852 93 B Q > - 0 0 75 1,-0.1 4,-1.7 2,-0.1 3,-0.4 -0.420 68.5-144.7 -71.9 121.8 96.4 -73.4 40.9 853 94 B F H > S+ 0 0 3 -2,-0.3 4,-2.7 1,-0.2 3,-0.5 0.889 97.4 48.4 -45.1 -56.8 95.6 -72.4 37.3 854 95 B S H > S+ 0 0 5 1,-0.3 4,-3.0 2,-0.2 -1,-0.2 0.859 108.2 54.8 -59.9 -37.0 98.2 -69.6 36.9 855 96 B K H > S+ 0 0 116 -3,-0.4 4,-1.7 2,-0.2 -1,-0.3 0.844 109.7 47.8 -64.2 -34.8 101.0 -71.7 38.4 856 97 B V H X S+ 0 0 4 -4,-1.7 4,-2.4 -3,-0.5 5,-0.2 0.964 112.1 48.7 -68.0 -50.5 100.3 -74.3 35.7 857 98 B V H X S+ 0 0 2 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.908 108.4 55.9 -50.9 -46.4 100.3 -71.6 33.1 858 99 B E H X S+ 0 0 51 -4,-3.0 4,-2.5 1,-0.2 -1,-0.2 0.921 108.8 46.7 -51.6 -50.1 103.6 -70.3 34.6 859 100 B D H X S+ 0 0 80 -4,-1.7 4,-0.7 2,-0.2 -1,-0.2 0.920 111.8 48.9 -62.6 -45.8 105.2 -73.7 34.1 860 101 B L H >< S+ 0 0 1 -4,-2.4 14,-2.4 1,-0.2 3,-0.5 0.893 114.7 48.0 -61.3 -37.8 103.9 -74.1 30.5 861 102 B Y H 3< S+ 0 0 34 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.882 111.7 46.0 -72.5 -40.7 105.2 -70.7 29.7 862 103 B R H 3< S+ 0 0 141 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.460 81.8 140.0 -81.9 1.2 108.7 -71.0 31.3 863 104 B Y << - 0 0 37 -4,-0.7 9,-2.5 -3,-0.5 2,-0.4 -0.151 33.6-164.8 -51.8 131.0 109.3 -74.4 29.7 864 105 B V B -U 871 0M 76 7,-0.2 2,-1.0 8,-0.1 -1,-0.1 -0.950 27.3-113.3-114.2 139.5 112.8 -74.9 28.4 865 106 B N >> - 0 0 64 5,-2.6 3,-2.4 -2,-0.4 4,-2.1 -0.624 21.5-147.7 -77.1 104.9 113.7 -77.7 26.0 866 107 B A T 34 S+ 0 0 91 -2,-1.0 -1,-0.2 1,-0.3 53,-0.0 0.704 95.6 47.6 -44.3 -29.7 116.0 -80.0 28.0 867 108 B A T 34 S+ 0 0 89 1,-0.1 -1,-0.3 3,-0.1 -2,-0.1 0.015 122.6 28.5-105.7 29.0 117.9 -81.0 24.8 868 109 B T T <4 S- 0 0 82 -3,-2.4 -2,-0.2 2,-0.1 -1,-0.1 0.416 86.9-130.2-155.2 -24.4 118.5 -77.5 23.3 869 110 B G < + 0 0 64 -4,-2.1 -3,-0.1 1,-0.3 -2,-0.0 0.469 66.8 131.9 71.4 3.4 118.6 -74.9 26.2 870 111 B K - 0 0 140 -5,-0.4 -5,-2.6 1,-0.1 -1,-0.3 -0.666 68.2-107.7 -89.3 138.9 116.0 -72.9 24.2 871 112 B P B +U 864 0M 100 0, 0.0 -7,-0.2 0, 0.0 -8,-0.1 -0.489 37.6 178.3 -57.5 123.4 112.8 -71.4 25.6 872 113 B A - 0 0 39 -9,-2.5 -9,-0.1 -2,-0.2 -8,-0.1 -0.563 11.7-167.4-129.2 70.0 110.0 -73.5 24.1 873 114 B P - 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0 0 14 -4,-1.0 2,-0.7 -3,-0.4 3,-0.1 -0.446 62.6-152.8 -74.8 138.1 87.5 -72.7 38.4 895 136 B V > - 0 0 53 -2,-0.2 3,-1.8 1,-0.1 4,-0.2 -0.897 5.5-168.0-110.7 98.4 85.6 -75.5 40.1 896 137 B Y G > S+ 0 0 25 -2,-0.7 3,-1.6 1,-0.3 4,-0.2 0.738 79.9 72.0 -64.6 -17.7 88.0 -78.5 40.3 897 138 B D G > S+ 0 0 122 1,-0.3 3,-1.9 2,-0.2 -1,-0.3 0.768 80.6 74.8 -66.7 -20.3 85.2 -80.8 41.3 898 139 B R G X S+ 0 0 42 -3,-1.8 3,-1.8 1,-0.3 -1,-0.3 0.694 76.9 76.8 -67.1 -18.3 83.9 -80.6 37.7 899 140 B D G < S+ 0 0 0 -3,-1.6 -1,-0.3 1,-0.3 3,-0.3 0.705 82.5 67.7 -60.4 -23.9 86.8 -82.9 36.7 900 141 B F G < S+ 0 0 55 -3,-1.9 2,-0.4 1,-0.2 -1,-0.3 0.496 75.4 88.4 -77.9 -1.8 84.8 -85.7 38.2 901 142 B Q S < S+ 0 0 72 -3,-1.8 2,-0.4 52,-0.1 -1,-0.2 -0.128 71.2 96.7 -86.9 39.7 82.3 -85.4 35.4 902 143 B Y S S- 0 0 13 -2,-0.4 -60,-0.1 -3,-0.3 472,-0.1 -0.992 73.3-122.8-132.9 134.2 84.1 -87.7 33.1 903 144 B S > - 0 0 52 -2,-0.4 4,-2.7 470,-0.3 5,-0.3 -0.271 39.0-107.7 -55.0 153.2 83.8 -91.4 32.3 904 145 B Y H > S+ 0 0 5 1,-0.2 4,-2.0 2,-0.2 -1,-0.1 0.907 122.9 43.8 -47.5 -41.5 87.0 -93.3 32.9 905 146 B F H > S+ 0 0 51 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.777 109.7 53.3 -86.6 -26.9 87.4 -93.5 29.1 906 147 B G H > S+ 0 0 1 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.922 112.8 46.3 -65.6 -46.3 86.5 -89.9 28.4 907 148 B F H X S+ 0 0 3 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.893 108.6 54.2 -65.7 -41.0 89.1 -88.8 30.8 908 149 B K H X S+ 0 0 38 -4,-2.0 4,-2.1 -5,-0.3 -1,-0.2 0.871 105.9 55.1 -59.5 -36.2 91.7 -91.2 29.4 909 150 B T H X S+ 0 0 8 -4,-1.5 4,-1.4 2,-0.2 5,-0.4 0.941 109.5 45.4 -60.3 -50.7 91.1 -89.7 26.0 910 151 B L H X>S+ 0 0 6 -4,-1.8 4,-2.5 1,-0.2 5,-2.4 0.928 113.8 50.2 -55.5 -48.3 91.8 -86.2 27.3 911 152 B E H <5S+ 0 0 44 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.820 109.5 50.7 -63.5 -35.3 94.9 -87.4 29.1 912 153 B R H <5S+ 0 0 125 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.830 133.0 0.5 -73.0 -31.4 96.3 -89.2 26.1 913 154 B S H <5S+ 0 0 18 -4,-1.4 -2,-0.2 -3,-0.4 -3,-0.2 0.613 127.5 42.4-136.4 -24.6 96.1 -86.4 23.6 914 155 B Y T <5S+ 0 0 8 -4,-2.5 2,-0.2 -5,-0.4 -3,-0.2 0.801 81.7 89.0-110.6 -41.1 94.7 -83.1 24.9 915 156 B L S - 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0 0 3 -4,-1.6 -1,-0.2 -5,-0.3 -3,-0.2 0.181 47.0 -55.3 81.2 158.0 78.9 -54.8 10.3 1315 556 B P S S- 0 0 25 0, 0.0 42,-0.2 0, 0.0 2,-0.1 -0.117 71.0 -86.7 -56.3 165.5 77.9 -57.5 7.8 1316 557 B Y > - 0 0 2 40,-1.3 3,-2.1 -55,-0.1 4,-0.3 -0.403 46.3-100.0 -71.4 159.9 80.8 -59.6 6.4 1317 558 B E T 3 S+ 0 0 133 -58,-0.5 3,-0.3 1,-0.3 -56,-0.1 0.795 121.7 43.3 -50.0 -32.9 82.6 -58.2 3.3 1318 559 B T T 3 S+ 0 0 23 -58,-1.2 -1,-0.3 1,-0.2 4,-0.2 0.222 82.1 104.7-105.3 8.5 80.7 -60.3 0.9 1319 560 B F X + 0 0 14 -3,-2.1 3,-1.8 2,-0.1 6,-0.4 0.883 53.5 87.8 -64.8 -45.7 77.1 -60.0 2.3 1320 561 B Q T 3 S+ 0 0 122 -4,-0.3 4,-0.0 -3,-0.3 6,-0.0 -0.345 99.7 17.4 -62.1 131.4 75.5 -57.6 -0.2 1321 562 B G T 3 S+ 0 0 41 1,-0.3 -1,-0.3 2,-0.1 -2,-0.1 0.143 95.5 123.1 90.3 -19.3 74.0 -59.6 -3.1 1322 563 B S S <> S- 0 0 6 -3,-1.8 4,-1.0 -4,-0.2 -1,-0.3 -0.259 79.0-104.8 -63.1 159.0 74.0 -62.9 -1.2 1323 564 B P T >4>S+ 0 0 3 0, 0.0 5,-2.7 0, 0.0 3,-0.6 0.877 121.1 55.6 -52.1 -41.7 70.7 -64.8 -0.8 1324 565 B A G >45S+ 0 0 2 1,-0.3 3,-2.5 3,-0.2 31,-0.1 0.908 101.0 58.2 -61.6 -38.7 70.4 -63.9 2.8 1325 566 B S G 345S+ 0 0 23 -6,-0.4 -1,-0.3 1,-0.3 -5,-0.1 0.840 107.8 48.1 -58.7 -29.9 70.7 -60.2 1.9 1326 567 B Q G <<5S- 0 0 112 -4,-1.0 -1,-0.3 -3,-0.6 -2,-0.2 0.325 126.7-103.6 -92.6 7.5 67.6 -60.8 -0.2 1327 568 B G T < 5S+ 0 0 5 -3,-2.5 2,-0.7 1,-0.2 -3,-0.2 0.510 75.4 140.0 84.2 4.6 65.9 -62.6 2.7 1328 569 B I < - 0 0 54 -5,-2.7 -1,-0.2 -6,-0.2 2,-0.2 -0.737 29.0-174.9 -84.7 113.8 66.4 -66.1 1.3 1329 570 B L >> - 0 0 2 -2,-0.7 4,-1.3 -3,-0.1 3,-0.7 -0.499 42.5 -88.0-101.2 174.4 67.3 -68.5 4.2 1330 571 B Q H >> S+ 0 0 5 1,-0.3 3,-1.2 2,-0.2 4,-0.9 0.919 126.5 47.7 -53.5 -56.7 68.2 -72.2 3.9 1331 572 B F H 34>S+ 0 0 0 132,-0.5 5,-2.4 1,-0.3 3,-0.4 0.789 104.0 63.0 -54.8 -28.4 64.7 -73.6 4.1 1332 573 B D H X45S+ 0 0 45 -3,-0.7 3,-1.2 1,-0.2 -1,-0.3 0.913 101.4 52.0 -63.1 -36.4 63.6 -71.0 1.4 1333 574 B M H <<5S+ 0 0 37 -4,-1.3 -1,-0.2 -3,-1.2 -2,-0.2 0.701 109.6 47.6 -73.2 -21.6 66.0 -72.7 -1.0 1334 575 B W T 3<5S- 0 0 38 -4,-0.9 -1,-0.3 -3,-0.4 -2,-0.2 0.353 112.6-124.3 -90.5 4.1 64.5 -76.1 -0.2 1335 576 B D T < 5 + 0 0 154 -3,-1.2 2,-0.4 -4,-0.2 -3,-0.2 0.886 65.0 140.8 46.1 48.9 61.1 -74.4 -0.8 1336 577 B Q < - 0 0 96 -5,-2.4 -1,-0.2 127,-0.1 -2,-0.2 -0.962 56.4-125.3-119.0 128.4 60.0 -75.6 2.7 1337 578 B K - 0 0 173 -2,-0.4 -5,-0.0 -3,-0.1 0, 0.0 -0.566 40.5-110.6 -65.0 137.2 58.0 -73.6 5.3 1338 579 B P - 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