==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 29-APR-10 3MSZ . COMPND 2 MOLECULE: GLUTAREDOXIN 1; . SOURCE 2 ORGANISM_SCIENTIFIC: FRANCISELLA TULARENSIS SUBSP. TULARENS . AUTHOR N.MALTSEVA,Y.KIM,K.KWON,W.F.ANDERSON,A.JOACHIMIAK . 173 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10939.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 120 69.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 5.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 20 11.6 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 . 2 1.2 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 . 14 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 56 32.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 1 1 2 0 0 0 0 0 3 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 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 0 0 PARALLEL BRIDGES PER LADDER . 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 0 A A 0 0 159 0, 0.0 2,-0.2 0, 0.0 26,-0.1 0.000 360.0 360.0 360.0 130.4 -16.2 -10.0 15.0 2 93 A X - 0 0 27 26,-0.1 2,-0.7 84,-0.0 26,-0.1 -0.628 360.0-112.9 -88.1 156.2 -18.0 -8.4 12.1 3 2 A K - 0 0 121 -2,-0.2 63,-3.2 26,-0.0 2,-0.5 -0.851 36.4-173.4 -97.4 114.3 -15.9 -6.9 9.2 4 3 A V E -A 65 0A 7 -2,-0.7 26,-2.5 24,-0.3 2,-0.4 -0.917 8.3-175.7-112.6 128.3 -16.3 -3.1 9.0 5 4 A K E -Ab 64 30A 46 59,-2.8 59,-3.1 -2,-0.5 2,-0.4 -0.988 4.4-173.0-121.8 130.6 -14.8 -1.0 6.3 6 5 A I E -Ab 63 31A 0 24,-2.8 26,-2.7 -2,-0.4 2,-0.5 -0.985 11.6-155.6-125.6 128.5 -15.0 2.8 6.3 7 6 A Y E +Ab 62 32A 39 55,-2.5 55,-1.5 -2,-0.4 2,-0.2 -0.884 32.9 152.9-101.4 129.5 -14.1 5.2 3.6 8 7 A T E - b 0 33A 0 24,-2.6 26,-3.1 -2,-0.5 2,-0.3 -0.755 34.9-141.4-142.5 176.4 -13.2 8.7 4.9 9 8 A R > - 0 0 89 -2,-0.2 3,-0.8 24,-0.2 2,-0.2 -0.952 36.0 -99.7-138.3 159.2 -11.3 11.9 4.4 10 9 A N T 3 S+ 0 0 90 -2,-0.3 24,-0.0 1,-0.2 0, 0.0 -0.549 107.6 34.0 -73.3 147.4 -9.5 14.1 6.9 11 10 A G T 3 S+ 0 0 66 -2,-0.2 -1,-0.2 1,-0.2 24,-0.0 0.639 86.4 121.5 79.4 15.8 -11.5 17.3 8.0 12 11 A a X> - 0 0 9 -3,-0.8 4,-1.5 1,-0.2 3,-1.2 -0.849 42.5-171.7-111.5 91.9 -14.8 15.3 7.7 13 12 A P H 3> S+ 0 0 79 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.848 86.0 57.8 -57.5 -33.9 -16.5 15.4 11.1 14 13 A Y H 3> S+ 0 0 149 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.832 103.4 54.6 -66.0 -28.9 -19.1 13.0 10.0 15 14 A a H <> S+ 0 0 1 -3,-1.2 4,-1.9 2,-0.2 -1,-0.2 0.876 109.6 47.2 -64.0 -38.5 -16.3 10.6 9.3 16 15 A V H X S+ 0 0 72 -4,-1.5 4,-3.0 2,-0.2 -2,-0.2 0.909 109.3 53.5 -71.6 -40.0 -15.1 11.1 12.9 17 16 A W H X S+ 0 0 104 -4,-2.9 4,-1.7 1,-0.2 -1,-0.2 0.884 109.9 49.0 -60.8 -36.9 -18.7 10.6 14.3 18 17 A A H X S+ 0 0 0 -4,-1.7 4,-1.7 -5,-0.2 -1,-0.2 0.938 113.7 43.9 -67.9 -48.8 -18.9 7.3 12.4 19 18 A K H X S+ 0 0 34 -4,-1.9 4,-2.9 1,-0.2 5,-0.2 0.917 111.4 55.0 -60.6 -45.5 -15.5 6.1 13.7 20 19 A Q H X S+ 0 0 88 -4,-3.0 4,-2.7 1,-0.2 -1,-0.2 0.872 104.9 54.4 -56.3 -38.7 -16.3 7.3 17.2 21 20 A W H X S+ 0 0 24 -4,-1.7 4,-0.8 -5,-0.2 -1,-0.2 0.931 110.8 44.1 -61.7 -47.1 -19.5 5.2 17.1 22 21 A F H ><>S+ 0 0 0 -4,-1.7 5,-2.8 1,-0.2 3,-0.7 0.935 115.4 49.2 -62.8 -45.2 -17.6 2.0 16.3 23 22 A E H ><5S+ 0 0 119 -4,-2.9 3,-1.5 1,-0.2 -2,-0.2 0.863 106.1 55.0 -61.0 -40.5 -14.9 2.8 18.9 24 23 A E H 3<5S+ 0 0 149 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.683 113.3 44.8 -70.8 -13.4 -17.5 3.6 21.6 25 24 A N T <<5S- 0 0 61 -4,-0.8 -1,-0.3 -3,-0.7 -2,-0.2 0.187 115.1-116.0-112.7 14.5 -18.8 0.1 21.0 26 25 A N T < 5 + 0 0 157 -3,-1.5 2,-0.6 1,-0.2 -3,-0.2 0.882 63.8 148.3 54.2 43.3 -15.5 -1.6 20.8 27 26 A I < - 0 0 22 -5,-2.8 -1,-0.2 -6,-0.1 -2,-0.1 -0.945 40.2-140.3-110.2 118.0 -15.9 -2.5 17.1 28 27 A A + 0 0 87 -2,-0.6 -24,-0.3 -26,-0.1 2,-0.3 -0.406 25.8 178.4 -72.6 155.2 -12.7 -2.7 15.1 29 28 A F - 0 0 52 -26,-0.1 2,-0.5 -2,-0.1 -24,-0.2 -0.984 30.2-122.5-154.1 156.6 -12.8 -1.3 11.5 30 29 A D E -b 5 0A 97 -26,-2.5 -24,-2.8 -2,-0.3 2,-0.5 -0.935 29.5-155.8-103.7 124.6 -10.5 -0.8 8.5 31 30 A E E -b 6 0A 58 -2,-0.5 2,-0.5 -26,-0.2 -24,-0.2 -0.855 10.0-165.5-104.0 133.0 -10.3 2.8 7.4 32 31 A T E -b 7 0A 45 -26,-2.7 -24,-2.6 -2,-0.5 2,-0.5 -0.977 13.7-155.4-113.0 117.2 -9.4 3.9 3.9 33 32 A I E +b 8 0A 77 -2,-0.5 2,-0.4 -26,-0.2 -24,-0.2 -0.815 16.4 176.1 -96.1 123.1 -8.6 7.7 3.8 34 33 A I + 0 0 18 -26,-3.1 6,-0.1 -2,-0.5 -2,-0.0 -0.806 6.6 167.6-125.9 89.6 -9.0 9.4 0.4 35 34 A D + 0 0 72 -2,-0.4 -1,-0.1 -26,-0.1 2,-0.1 0.908 47.7 81.1 -75.0 -40.6 -8.3 13.1 0.9 36 35 A D S > S- 0 0 69 1,-0.1 4,-2.4 4,-0.0 5,-0.2 -0.333 75.0-131.3 -81.4 149.9 -8.0 14.5 -2.6 37 36 A Y H > S+ 0 0 176 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.913 108.0 54.1 -59.6 -42.6 -11.0 15.4 -4.8 38 37 A A H > S+ 0 0 64 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.919 110.7 44.6 -57.5 -49.6 -9.5 13.4 -7.7 39 38 A Q H > S+ 0 0 102 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.860 114.1 50.4 -63.0 -39.7 -9.1 10.2 -5.7 40 39 A R H X S+ 0 0 38 -4,-2.4 4,-3.1 2,-0.2 -2,-0.2 0.916 109.1 48.9 -68.3 -41.9 -12.6 10.5 -4.1 41 40 A S H X S+ 0 0 36 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.858 111.4 50.9 -70.3 -30.2 -14.5 11.1 -7.4 42 41 A K H X S+ 0 0 137 -4,-1.6 4,-2.4 -5,-0.2 -1,-0.2 0.890 111.4 48.0 -68.2 -44.2 -12.7 8.1 -8.9 43 42 A F H X S+ 0 0 16 -4,-1.9 4,-3.0 2,-0.2 5,-0.3 0.931 111.8 50.5 -59.0 -47.2 -13.7 6.0 -5.9 44 43 A Y H X S+ 0 0 23 -4,-3.1 4,-2.9 2,-0.2 13,-0.3 0.951 112.8 45.0 -55.0 -50.1 -17.3 7.3 -6.2 45 44 A D H X S+ 0 0 97 -4,-2.4 4,-0.7 2,-0.2 -1,-0.2 0.920 114.4 49.5 -66.6 -40.5 -17.6 6.5 -9.9 46 45 A E H >< S+ 0 0 105 -4,-2.4 3,-1.1 1,-0.2 -2,-0.2 0.959 114.7 43.0 -59.1 -55.0 -16.0 3.1 -9.3 47 46 A X H ><>S+ 0 0 35 -4,-3.0 3,-2.0 1,-0.2 6,-0.5 0.892 107.6 60.7 -58.3 -42.0 -18.3 2.2 -6.4 48 47 A N H 3<5S+ 0 0 62 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.644 114.2 36.6 -66.8 -10.9 -21.4 3.5 -8.2 49 48 A Q T <<5S+ 0 0 107 -3,-1.1 -1,-0.3 -4,-0.7 -2,-0.2 0.128 97.4 84.2-119.5 18.3 -20.8 1.0 -11.0 50 49 A S T < 5S- 0 0 21 -3,-2.0 88,-0.1 88,-0.0 -2,-0.1 0.618 91.7-124.5 -97.9 -16.0 -19.6 -1.9 -8.8 51 50 A G T 5S+ 0 0 55 -4,-0.5 -3,-0.1 86,-0.3 86,-0.1 0.414 88.3 99.0 84.7 -2.2 -22.9 -3.4 -7.9 52 51 A K < + 0 0 102 -5,-0.5 17,-0.7 16,-0.1 2,-0.2 0.566 61.9 75.8 -99.6 -10.2 -21.9 -3.0 -4.2 53 52 A V - 0 0 29 -6,-0.5 -2,-0.0 1,-0.1 11,-0.0 -0.678 63.4-148.1-104.0 159.0 -23.7 0.2 -3.1 54 53 A I S S+ 0 0 118 -2,-0.2 -1,-0.1 1,-0.2 -6,-0.0 0.474 86.0 16.6-105.4 -5.4 -27.4 0.6 -2.4 55 54 A F S S- 0 0 72 16,-0.0 2,-0.4 0, 0.0 -1,-0.2 -0.957 98.7 -83.7-154.7 162.5 -27.6 4.2 -3.5 56 55 A P - 0 0 103 0, 0.0 2,-0.2 0, 0.0 -11,-0.1 -0.617 50.7-143.1 -76.7 123.0 -25.2 6.4 -5.7 57 56 A I + 0 0 2 -2,-0.4 -9,-0.1 -13,-0.3 3,-0.1 -0.578 38.9 152.9 -91.9 150.4 -22.6 7.7 -3.4 58 57 A S + 0 0 88 -2,-0.2 2,-0.3 1,-0.1 -1,-0.1 0.208 62.3 51.4-156.7 14.8 -21.0 11.2 -3.5 59 58 A T S S- 0 0 82 2,-0.1 -1,-0.1 -15,-0.0 0, 0.0 -0.923 77.7 -88.4-142.1 167.5 -20.0 11.9 0.0 60 59 A V S S+ 0 0 16 -2,-0.3 -45,-0.2 -3,-0.1 -46,-0.1 -0.906 84.1 60.9-119.6 158.5 -18.0 10.3 2.8 61 60 A P + 0 0 4 0, 0.0 2,-0.4 0, 0.0 -53,-0.2 0.502 59.3 178.0 -75.7 157.7 -18.1 8.6 5.1 62 61 A Q E -A 7 0A 1 -55,-1.5 -55,-2.5 -2,-0.1 2,-0.5 -0.995 11.7-161.1-123.5 125.0 -19.2 5.4 3.4 63 62 A I E -AC 6 71A 0 8,-2.6 7,-3.1 -2,-0.4 8,-1.2 -0.885 9.9-172.8-113.7 128.5 -19.6 2.4 5.7 64 63 A F E -AC 5 69A 19 -59,-3.1 -59,-2.8 -2,-0.5 2,-0.5 -0.973 3.2-167.6-117.6 136.0 -19.7 -1.3 4.7 65 64 A I E > S-AC 4 68A 6 3,-2.7 3,-2.0 -2,-0.4 -61,-0.2 -0.983 77.7 -16.9-127.1 122.2 -20.4 -4.1 7.1 66 65 A D T 3 S- 0 0 66 -63,-3.2 -1,-0.1 -2,-0.5 -62,-0.1 0.877 128.9 -55.8 46.2 42.9 -19.7 -7.7 6.1 67 66 A D T 3 S+ 0 0 109 -64,-0.4 2,-0.6 1,-0.2 -1,-0.3 0.435 111.8 122.4 77.3 0.8 -19.6 -6.4 2.5 68 67 A E E < -C 65 0A 147 -3,-2.0 -3,-2.7 -14,-0.0 2,-0.4 -0.853 66.1-124.9 -95.9 125.2 -23.1 -4.8 2.7 69 68 A H E +C 64 0A 6 -17,-0.7 -5,-0.2 -2,-0.6 -16,-0.0 -0.532 31.0 176.3 -64.3 121.4 -23.2 -1.1 2.0 70 69 A I E - 0 0 24 -7,-3.1 2,-0.4 -2,-0.4 -1,-0.2 0.852 33.1-133.4 -93.7 -43.8 -24.8 0.6 4.9 71 70 A G E -C 63 0A 0 -8,-1.2 -8,-2.6 4,-0.1 -1,-0.3 -0.951 38.9 -32.4 127.2-150.4 -24.4 4.3 3.9 72 71 A G S > S- 0 0 9 -2,-0.4 4,-2.1 -10,-0.2 5,-0.1 -0.023 80.5 -68.2 -91.8-157.3 -23.3 7.4 5.7 73 72 A F H > S+ 0 0 43 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.905 129.2 55.9 -68.2 -41.3 -23.6 8.4 9.3 74 73 A T H > S+ 0 0 109 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.926 110.7 46.4 -52.4 -46.4 -27.4 8.9 9.3 75 74 A E H > S+ 0 0 64 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.877 108.7 55.5 -68.1 -36.7 -27.8 5.3 8.0 76 75 A L H >< S+ 0 0 0 -4,-2.1 3,-0.6 1,-0.2 -2,-0.2 0.960 111.3 43.5 -57.9 -51.2 -25.3 4.0 10.6 77 76 A K H >< S+ 0 0 102 -4,-2.6 3,-1.8 1,-0.2 4,-0.3 0.895 107.7 59.4 -64.1 -39.6 -27.3 5.5 13.4 78 77 A A H 3< S+ 0 0 83 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.823 115.4 36.9 -55.9 -32.4 -30.6 4.3 11.9 79 78 A N T S+ 0 0 10 -3,-1.8 4,-1.9 1,-0.2 5,-0.2 0.906 75.5 50.3 -54.2 -48.2 -27.4 1.2 15.5 81 80 A D H 4 S+ 0 0 135 -4,-0.3 4,-0.3 -3,-0.2 -1,-0.2 0.910 113.1 44.8 -58.7 -44.4 -29.6 -1.4 17.3 82 81 A K H >> S+ 0 0 134 1,-0.2 3,-1.4 2,-0.2 4,-1.1 0.911 110.9 52.3 -69.3 -42.7 -29.2 -4.2 14.6 83 82 A I H 3< S+ 0 0 8 -4,-2.4 3,-0.3 1,-0.3 -1,-0.2 0.859 105.7 55.9 -60.8 -35.5 -25.4 -3.7 14.1 84 83 A L T 3< S+ 0 0 76 -4,-1.9 -1,-0.3 -5,-0.3 -2,-0.2 0.523 98.1 62.7 -77.0 -4.9 -24.9 -4.1 17.9 85 84 A N T <4 0 0 134 -3,-1.4 -1,-0.2 -4,-0.3 -2,-0.2 0.783 360.0 360.0 -82.0 -31.1 -26.7 -7.4 17.6 86 85 A K < 0 0 116 -4,-1.1 -2,-0.2 -3,-0.3 -3,-0.1 0.869 360.0 360.0 -85.2 360.0 -23.8 -8.4 15.4 87 !* 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 88 0 B A 0 0 152 0, 0.0 2,-0.1 0, 0.0 86,-0.1 0.000 360.0 360.0 360.0 134.0 -12.7 7.9 -33.2 89 1 B X - 0 0 39 84,-0.1 2,-0.6 1,-0.1 26,-0.1 -0.383 360.0-137.8 -65.9 129.9 -15.0 4.9 -32.4 90 2 B K - 0 0 115 -2,-0.1 63,-3.3 26,-0.1 2,-0.5 -0.795 24.2-179.7 -95.7 122.7 -13.8 3.0 -29.3 91 3 B V E -D 152 0B 4 -2,-0.6 26,-2.9 61,-0.2 2,-0.4 -0.974 4.3-179.4-124.2 121.8 -14.0 -0.8 -29.6 92 4 B K E -De 151 117B 58 59,-3.1 59,-2.8 -2,-0.5 2,-0.4 -0.973 4.0-172.5-120.3 137.6 -13.0 -3.2 -26.9 93 5 B I E -De 150 118B 0 24,-2.7 26,-2.7 -2,-0.4 2,-0.5 -0.984 13.3-153.9-133.8 126.4 -13.1 -6.9 -27.1 94 6 B Y E +De 149 119B 37 55,-2.6 55,-1.3 -2,-0.4 2,-0.2 -0.825 32.3 158.2 -94.3 132.2 -12.5 -9.6 -24.5 95 7 B T E - e 0 120B 2 24,-2.8 26,-2.8 -2,-0.5 2,-0.3 -0.802 27.0-155.0-141.9 174.4 -11.3 -12.9 -25.9 96 8 B R > - 0 0 86 -2,-0.2 3,-0.5 24,-0.2 2,-0.1 -0.950 31.5-102.1-145.5 163.0 -9.5 -16.2 -25.2 97 9 B N T 3 S+ 0 0 107 -2,-0.3 24,-0.0 1,-0.2 0, 0.0 -0.480 104.3 48.0 -74.5 159.1 -7.6 -18.7 -27.2 98 10 B G T 3 S+ 0 0 67 -2,-0.1 -1,-0.2 1,-0.1 24,-0.0 0.653 87.9 111.2 81.6 19.0 -9.4 -21.9 -28.1 99 11 B b X> - 0 0 11 -3,-0.5 3,-1.7 1,-0.1 4,-1.3 -0.752 45.4-174.5-132.1 85.1 -12.3 -19.7 -29.3 100 12 B P H 3> S+ 0 0 87 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.811 87.3 56.2 -53.1 -32.7 -13.0 -19.7 -33.1 101 13 B Y H 3> S+ 0 0 145 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.798 101.6 56.8 -72.9 -23.2 -15.8 -17.0 -32.7 102 14 B b H <> S+ 0 0 2 -3,-1.7 4,-1.8 2,-0.2 -1,-0.2 0.884 108.2 48.5 -67.9 -37.9 -13.4 -14.7 -30.9 103 15 B V H X S+ 0 0 80 -4,-1.3 4,-2.5 2,-0.2 -2,-0.2 0.907 111.3 48.6 -65.4 -43.2 -11.2 -15.0 -34.1 104 16 B W H X S+ 0 0 118 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.911 107.9 55.0 -67.0 -39.8 -14.2 -14.3 -36.4 105 17 B A H X S+ 0 0 0 -4,-2.3 4,-1.6 1,-0.2 -1,-0.2 0.951 111.8 45.0 -56.3 -45.6 -15.2 -11.3 -34.3 106 18 B K H X S+ 0 0 45 -4,-1.8 4,-2.7 1,-0.2 -2,-0.2 0.883 108.0 55.7 -63.3 -45.1 -11.6 -9.9 -34.8 107 19 B Q H X S+ 0 0 85 -4,-2.5 4,-3.2 1,-0.2 5,-0.3 0.908 104.3 56.4 -54.1 -43.7 -11.5 -10.7 -38.5 108 20 B W H X S+ 0 0 37 -4,-2.2 4,-0.8 1,-0.2 -1,-0.2 0.941 110.4 42.0 -57.0 -48.8 -14.7 -8.6 -38.9 109 21 B F H <>S+ 0 0 0 -4,-1.6 5,-2.5 2,-0.2 3,-0.4 0.937 117.0 48.6 -65.2 -42.7 -13.2 -5.5 -37.4 110 22 B E H ><5S+ 0 0 120 -4,-2.7 3,-2.4 1,-0.3 -2,-0.2 0.946 108.9 49.7 -62.7 -50.8 -9.9 -6.0 -39.2 111 23 B E H 3<5S+ 0 0 114 -4,-3.2 -1,-0.3 1,-0.3 -2,-0.2 0.688 113.8 50.2 -66.0 -14.1 -11.3 -6.5 -42.6 112 24 B N T 3<5S- 0 0 39 -4,-0.8 -1,-0.3 -3,-0.4 -2,-0.2 0.326 113.0-119.0-101.8 9.5 -13.3 -3.4 -42.0 113 25 B N T < 5 + 0 0 130 -3,-2.4 2,-0.6 1,-0.2 -3,-0.2 0.921 61.6 148.8 51.3 47.8 -10.4 -1.3 -40.9 114 26 B I < - 0 0 12 -5,-2.5 -1,-0.2 -6,-0.1 -2,-0.1 -0.958 42.9-136.1-109.9 117.7 -11.8 -0.7 -37.4 115 27 B A + 0 0 87 -2,-0.6 2,-0.3 -3,-0.1 -24,-0.2 -0.430 31.1 174.8 -67.9 145.0 -9.2 -0.3 -34.7 116 28 B F - 0 0 52 -2,-0.1 2,-0.5 -26,-0.1 -24,-0.2 -0.998 31.9-126.7-152.7 152.6 -9.9 -2.2 -31.4 117 29 B D E -e 92 0B 88 -26,-2.9 -24,-2.7 -2,-0.3 2,-0.5 -0.882 29.3-158.4 -99.4 126.1 -8.3 -3.0 -28.1 118 30 B E E -e 93 0B 55 -2,-0.5 2,-0.5 -26,-0.2 -24,-0.2 -0.894 12.2-167.9-109.1 133.3 -8.2 -6.7 -27.3 119 31 B T E -e 94 0B 45 -26,-2.7 -24,-2.8 -2,-0.5 2,-0.5 -0.977 11.0-162.5-114.3 118.2 -7.9 -8.3 -23.9 120 32 B I E -e 95 0B 79 -2,-0.5 2,-0.5 -26,-0.2 -24,-0.2 -0.874 7.8-175.7-101.1 126.3 -7.1 -12.0 -24.0 121 33 B I + 0 0 19 -26,-2.8 6,-0.1 -2,-0.5 -2,-0.0 -0.839 15.1 160.4-124.3 93.2 -7.8 -13.9 -20.9 122 34 B D + 0 0 78 -2,-0.5 2,-0.3 -26,-0.1 -1,-0.1 0.808 48.6 93.7 -84.2 -30.3 -6.7 -17.5 -21.3 123 35 B D S > S- 0 0 82 1,-0.1 4,-2.3 2,-0.0 5,-0.2 -0.463 71.6-142.4 -67.1 126.4 -6.4 -18.4 -17.7 124 36 B Y H > S+ 0 0 168 -2,-0.3 4,-2.8 1,-0.2 5,-0.3 0.912 97.4 49.0 -55.2 -49.0 -9.7 -20.0 -16.5 125 37 B A H > S+ 0 0 49 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.930 113.1 47.0 -62.4 -44.8 -9.7 -18.3 -13.0 126 38 B Q H > S+ 0 0 123 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.881 113.8 47.3 -60.8 -40.0 -9.0 -14.9 -14.4 127 39 B R H X S+ 0 0 31 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.943 111.5 50.9 -71.4 -44.1 -11.7 -15.2 -17.1 128 40 B S H X S+ 0 0 32 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.848 109.1 51.9 -53.1 -40.8 -14.2 -16.5 -14.6 129 41 B K H X S+ 0 0 146 -4,-2.0 4,-2.2 -5,-0.3 -1,-0.2 0.874 108.0 52.4 -68.1 -34.0 -13.3 -13.5 -12.4 130 42 B F H X S+ 0 0 5 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.929 109.3 48.2 -66.8 -44.0 -14.0 -11.3 -15.4 131 43 B Y H X S+ 0 0 30 -4,-2.6 4,-2.7 1,-0.2 13,-0.3 0.930 113.4 49.0 -59.4 -47.6 -17.4 -12.9 -16.0 132 44 B D H X S+ 0 0 77 -4,-2.5 4,-2.9 1,-0.2 -1,-0.2 0.880 110.6 48.2 -60.4 -42.4 -18.2 -12.4 -12.3 133 45 B E H X S+ 0 0 98 -4,-2.2 4,-1.4 2,-0.2 -1,-0.2 0.899 114.2 46.7 -71.3 -35.9 -17.2 -8.8 -12.2 134 46 B X H X>S+ 0 0 17 -4,-2.3 5,-1.4 2,-0.2 4,-1.0 0.919 116.7 44.6 -66.4 -44.9 -19.2 -8.0 -15.3 135 47 B N H <5S+ 0 0 61 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.886 115.5 47.7 -66.6 -39.1 -22.2 -9.9 -13.9 136 48 B Q H <5S+ 0 0 100 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.741 116.3 42.3 -68.0 -31.9 -21.9 -8.4 -10.4 137 49 B S H <5S- 0 0 21 -4,-1.4 -86,-0.3 -5,-0.2 -1,-0.2 0.548 102.2-128.6-101.4 -9.4 -21.5 -4.8 -11.6 138 50 B G T <5 + 0 0 60 -4,-1.0 -3,-0.2 -88,-0.1 -4,-0.1 0.932 62.6 135.7 63.7 45.8 -24.2 -4.9 -14.3 139 51 B K < + 0 0 91 -5,-1.4 17,-0.4 -6,-0.2 2,-0.3 0.366 55.8 69.8-102.7 3.9 -22.0 -3.5 -17.1 140 52 B V S S- 0 0 22 -6,-0.5 11,-0.0 15,-0.1 17,-0.0 -0.781 83.9-123.7-116.8 165.6 -23.2 -6.0 -19.7 141 53 B I S S+ 0 0 107 -2,-0.3 -1,-0.1 1,-0.1 16,-0.0 0.609 96.3 7.3 -87.6 -13.2 -26.7 -6.3 -21.3 142 54 B F S S- 0 0 73 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.944 101.2 -75.9-153.7 163.9 -27.2 -9.9 -20.1 143 55 B P - 0 0 107 0, 0.0 2,-0.3 0, 0.0 -11,-0.1 -0.419 53.1-144.4 -66.5 134.5 -25.1 -12.2 -17.8 144 56 B I + 0 0 4 -13,-0.3 -9,-0.1 -2,-0.1 3,-0.1 -0.758 38.9 156.7-107.3 150.2 -22.1 -13.4 -19.6 145 57 B S + 0 0 88 -2,-0.3 2,-0.3 1,-0.1 -1,-0.1 0.083 67.9 50.5-148.2 11.9 -20.3 -16.8 -19.4 146 58 B T S S- 0 0 83 2,-0.1 -1,-0.1 -15,-0.0 -51,-0.0 -0.953 75.6 -97.4-141.9 166.9 -18.5 -16.8 -22.7 147 59 B V S S+ 0 0 11 -2,-0.3 -45,-0.2 -3,-0.1 -52,-0.2 -0.857 78.2 69.1-119.9 162.4 -16.3 -14.7 -24.9 148 60 B P + 0 0 5 0, 0.0 2,-0.4 0, 0.0 12,-0.3 0.489 58.4 173.4 -73.9 153.0 -16.1 -12.7 -27.2 149 61 B Q E -D 94 0B 2 -55,-1.3 -55,-2.6 10,-0.1 2,-0.4 -0.999 13.7-159.7-128.7 128.2 -17.7 -9.8 -25.5 150 62 B I E -DF 93 158B 0 8,-2.7 7,-2.9 -2,-0.4 8,-1.1 -0.892 11.1-167.8-119.9 137.0 -17.6 -6.6 -27.4 151 63 B F E -DF 92 156B 24 -59,-2.8 -59,-3.1 -2,-0.4 2,-0.5 -0.992 4.1-166.0-124.0 129.1 -18.0 -3.0 -26.2 152 64 B I E > S-DF 91 155B 19 3,-2.3 3,-2.6 -2,-0.4 -61,-0.2 -0.974 78.9 -13.7-117.5 127.3 -18.5 -0.1 -28.6 153 65 B D T 3 S- 0 0 70 -63,-3.3 -1,-0.2 -2,-0.5 -62,-0.1 0.902 131.3 -54.7 43.8 47.5 -18.1 3.4 -27.2 154 66 B D T 3 S+ 0 0 113 -64,-0.3 2,-0.5 1,-0.2 -1,-0.3 0.474 114.0 117.8 71.0 5.4 -18.2 1.9 -23.8 155 67 B E E < -F 152 0B 145 -3,-2.6 -3,-2.3 -14,-0.0 2,-0.2 -0.893 66.7-124.8-105.4 125.8 -21.6 0.1 -24.3 156 68 B H E +F 151 0B 14 -2,-0.5 -5,-0.3 -17,-0.4 3,-0.1 -0.477 30.0 175.3 -62.9 130.5 -21.7 -3.7 -24.2 157 69 B I E - 0 0 29 -7,-2.9 2,-0.3 1,-0.4 -1,-0.2 0.590 40.6-121.3-109.5 -16.8 -23.2 -5.0 -27.4 158 70 B G E -F 150 0B 0 -8,-1.1 -8,-2.7 4,-0.1 -1,-0.4 -0.867 40.5 -41.5 115.9-149.5 -22.8 -8.7 -26.7 159 71 B G S > S- 0 0 8 -2,-0.3 4,-2.4 -10,-0.2 -10,-0.1 0.051 78.0 -57.5-103.9-151.6 -20.9 -11.5 -28.5 160 72 B F H > S+ 0 0 41 -12,-0.3 4,-2.4 2,-0.2 5,-0.2 0.898 129.8 52.5 -66.9 -41.6 -20.4 -12.7 -32.0 161 73 B T H > S+ 0 0 84 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.920 112.0 47.6 -61.0 -40.3 -24.1 -13.1 -32.9 162 74 B E H > S+ 0 0 53 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.896 108.4 55.6 -66.7 -38.7 -24.8 -9.6 -31.7 163 75 B L H < S+ 0 0 1 -4,-2.4 4,-0.4 1,-0.2 3,-0.3 0.955 110.4 44.6 -55.6 -52.3 -21.8 -8.3 -33.8 164 76 B K H >< S+ 0 0 120 -4,-2.4 3,-1.3 1,-0.2 4,-0.4 0.917 112.2 52.2 -55.6 -46.5 -23.2 -9.8 -37.0 165 77 B A H 3< S+ 0 0 87 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.797 118.4 36.9 -67.1 -25.8 -26.7 -8.5 -36.2 166 78 B N T 3X S+ 0 0 72 -4,-1.8 4,-2.4 -3,-0.3 -1,-0.3 0.251 83.7 108.9-105.7 8.7 -25.4 -5.0 -35.7 167 79 B A H <> S+ 0 0 11 -3,-1.3 4,-2.7 -4,-0.4 5,-0.2 0.900 76.9 51.3 -58.3 -46.5 -22.7 -4.9 -38.4 168 80 B D H > S+ 0 0 124 -4,-0.4 4,-1.9 1,-0.2 -1,-0.2 0.930 113.3 44.9 -57.0 -46.8 -24.4 -2.6 -40.8 169 81 B K H 4 S+ 0 0 127 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.934 112.9 49.7 -67.4 -44.9 -25.1 -0.0 -38.1 170 82 B I H >< S+ 0 0 12 -4,-2.4 3,-1.7 1,-0.2 4,-0.3 0.908 109.8 52.4 -54.5 -47.3 -21.6 -0.2 -36.6 171 83 B L H >< S+ 0 0 51 -4,-2.7 3,-1.6 1,-0.3 -1,-0.2 0.887 104.4 55.6 -58.9 -41.3 -20.1 0.2 -40.1 172 84 B N T 3< S+ 0 0 131 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.419 107.2 50.9 -76.6 4.2 -22.2 3.3 -40.7 173 85 B K T < 0 0 131 -3,-1.7 -1,-0.3 -4,-0.2 -2,-0.2 0.323 360.0 360.0-112.7 -0.4 -20.7 4.8 -37.5 174 86 B K < 0 0 134 -3,-1.6 -3,-0.1 -4,-0.3 -4,-0.0 -0.133 360.0 360.0 -45.0 360.0 -17.1 4.0 -38.6