==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 21-NOV-03 1V58 . COMPND 2 MOLECULE: THIOL:DISULFIDE INTERCHANGE PROTEIN DSBG; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR B.HERAS,M.A.EDELING,H.J.SCHIRRA,S.RAINA,J.L.MARTIN . 458 2 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22148.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 315 68.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 3.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 75 16.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 28 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 43 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 136 29.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 3.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 0 0 4 1 2 4 0 1 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 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 PARALLEL BRIDGES PER LADDER . 2 0 6 0 1 1 4 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 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 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 2 A E 0 0 143 0, 0.0 3,-0.1 0, 0.0 448,-0.0 0.000 360.0 360.0 360.0-148.6 74.3 56.2 36.6 2 3 A L - 0 0 25 1,-0.2 5,-0.1 2,-0.1 0, 0.0 -0.419 360.0 -78.9 -75.7 153.1 70.8 54.8 37.1 3 4 A P >> - 0 0 38 0, 0.0 4,-2.3 0, 0.0 3,-0.9 -0.316 43.2-119.7 -57.0 138.9 68.9 56.1 40.1 4 5 A A H 3> S+ 0 0 79 1,-0.3 4,-2.0 2,-0.2 5,-0.1 0.838 111.0 53.3 -47.2 -45.5 70.0 54.3 43.2 5 6 A P H 3> S+ 0 0 29 0, 0.0 4,-1.1 0, 0.0 -1,-0.3 0.865 112.2 45.6 -62.1 -35.0 66.6 52.9 44.1 6 7 A V H <> S+ 0 0 0 -3,-0.9 4,-2.0 2,-0.2 -2,-0.2 0.856 108.8 55.2 -75.1 -35.8 66.3 51.3 40.6 7 8 A K H X S+ 0 0 79 -4,-2.3 4,-1.6 1,-0.2 -1,-0.2 0.873 105.0 55.1 -63.9 -35.0 69.9 50.0 40.8 8 9 A A H < S+ 0 0 51 -4,-2.0 -1,-0.2 -5,-0.2 4,-0.2 0.871 107.2 49.0 -65.2 -37.7 68.9 48.3 44.0 9 10 A I H ><>S+ 0 0 25 -4,-1.1 3,-1.7 1,-0.2 5,-0.6 0.863 104.5 58.6 -70.9 -35.3 66.0 46.6 42.2 10 11 A E H >X5S+ 0 0 3 -4,-2.0 3,-1.8 1,-0.3 4,-1.3 0.903 99.2 59.9 -58.3 -40.3 68.4 45.5 39.4 11 12 A K T 3<5S+ 0 0 155 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.606 90.8 69.6 -64.4 -11.3 70.4 43.7 42.0 12 13 A Q T <45S- 0 0 145 -3,-1.7 -1,-0.3 -4,-0.2 -2,-0.2 0.256 133.8 -81.7 -89.8 11.9 67.3 41.6 42.8 13 14 A G T <45S+ 0 0 36 -3,-1.8 21,-0.6 1,-0.3 2,-0.4 0.703 86.1 138.0 98.6 23.7 67.7 39.9 39.4 14 15 A I E << -A 33 0A 10 -4,-1.3 2,-0.5 -5,-0.6 -1,-0.3 -0.855 35.7-159.9-107.9 136.6 66.1 42.4 37.0 15 16 A T E -A 32 0A 33 17,-2.3 17,-1.7 -2,-0.4 2,-0.2 -0.959 21.5-130.7-114.1 120.7 67.5 43.4 33.6 16 17 A I E -A 31 0A 11 -2,-0.5 15,-0.3 15,-0.2 433,-0.2 -0.502 23.0-178.8 -76.9 135.4 66.3 46.7 32.2 17 18 A I E - 0 0 13 13,-3.3 428,-2.3 1,-0.4 2,-0.3 0.869 63.0 -35.3 -93.3 -53.7 65.0 46.8 28.6 18 19 A K E -A 30 0A 40 12,-1.4 12,-3.1 426,-0.2 -1,-0.4 -0.981 53.6-105.3-164.0 169.6 64.1 50.5 28.3 19 20 A T E -A 29 0A 83 426,-0.4 2,-0.3 -2,-0.3 10,-0.3 -0.706 36.6-178.0-100.9 155.8 62.8 53.6 30.1 20 21 A F E -A 28 0A 40 8,-2.6 8,-2.8 -2,-0.3 2,-0.3 -0.982 30.9 -92.2-152.1 160.8 59.3 54.9 29.5 21 22 A D E +A 27 0A 164 -2,-0.3 6,-0.2 6,-0.2 8,-0.0 -0.607 41.4 180.0 -81.1 132.6 57.0 57.8 30.4 22 23 A A - 0 0 20 4,-1.3 3,-0.4 -2,-0.3 4,-0.2 -0.807 29.1 -91.0-124.8 165.8 54.6 57.2 33.4 23 24 A P S > S+ 0 0 82 0, 0.0 3,-1.1 0, 0.0 -1,-0.1 -0.240 95.3 33.0 -76.1 164.6 52.0 59.5 35.1 24 25 A G T 3 S- 0 0 68 1,-0.2 3,-0.1 19,-0.0 0, 0.0 0.713 130.7 -60.4 65.8 25.3 52.4 61.9 38.0 25 26 A G T 3 S+ 0 0 70 -3,-0.4 2,-0.3 1,-0.3 -1,-0.2 0.636 101.7 139.4 78.5 12.7 55.9 62.9 37.3 26 27 A M < - 0 0 33 -3,-1.1 -4,-1.3 -4,-0.2 2,-0.4 -0.660 46.4-140.6 -92.5 147.4 57.1 59.3 37.6 27 28 A K E -AB 21 42A 100 15,-0.8 15,-3.0 -2,-0.3 2,-0.3 -0.873 17.8-145.9-105.6 138.1 59.6 57.7 35.3 28 29 A G E -AB 20 41A 0 -8,-2.8 -8,-2.6 -2,-0.4 2,-0.4 -0.778 10.5-164.4-108.5 152.1 59.1 54.1 34.3 29 30 A Y E -AB 19 40A 7 11,-2.4 11,-2.5 -2,-0.3 2,-0.4 -0.998 8.5-154.5-132.1 126.6 61.5 51.3 33.6 30 31 A L E +AB 18 39A 0 -12,-3.1 -13,-3.3 -2,-0.4 -12,-1.4 -0.860 33.2 139.2-101.2 133.9 60.5 48.1 31.7 31 32 A G E -AB 16 38A 0 7,-2.7 7,-2.7 -2,-0.4 2,-0.3 -0.818 39.9-109.3-153.3-166.2 62.6 45.0 32.4 32 33 A K E -AB 15 37A 27 -17,-1.7 -17,-2.3 5,-0.3 2,-0.5 -0.994 2.4-156.7-142.3 146.9 62.6 41.3 33.0 33 34 A Y E > S-AB 14 36A 94 3,-3.0 3,-3.0 -2,-0.3 -19,-0.2 -0.992 81.0 -47.3-119.3 114.4 63.1 38.9 35.9 34 35 A Q T 3 S- 0 0 103 -21,-0.6 -19,-0.1 -2,-0.5 -21,-0.0 -0.405 126.8 -23.8 54.7-122.9 64.1 35.6 34.4 35 36 A D T 3 S+ 0 0 17 -3,-0.1 2,-0.4 -2,-0.1 -1,-0.3 0.438 119.3 102.1 -96.9 1.8 61.5 35.2 31.7 36 37 A M E < -B 33 0A 57 -3,-3.0 -3,-3.0 230,-0.1 2,-0.2 -0.695 68.6-129.8 -92.4 133.1 58.9 37.5 33.4 37 38 A G E -B 32 0A 1 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.3 -0.513 29.7-176.7 -78.1 145.9 58.3 41.1 32.4 38 39 A V E -B 31 0A 10 -7,-2.7 -7,-2.7 -2,-0.2 2,-0.4 -0.980 17.1-147.7-142.3 153.6 58.4 43.7 35.2 39 40 A T E -B 30 0A 2 13,-0.4 13,-2.2 -2,-0.3 2,-0.4 -0.981 10.1-165.9-125.1 138.3 57.7 47.4 35.5 40 41 A I E -BC 29 51A 0 -11,-2.5 -11,-2.4 -2,-0.4 2,-0.5 -0.961 4.8-157.4-122.6 138.8 59.5 49.8 37.9 41 42 A Y E -BC 28 50A 13 9,-2.6 9,-2.7 -2,-0.4 2,-0.4 -0.970 10.3-142.0-124.4 122.7 58.3 53.3 38.8 42 43 A L E -BC 27 49A 17 -15,-3.0 -15,-0.8 -2,-0.5 7,-0.3 -0.668 28.7-124.6 -80.8 129.3 60.6 56.0 40.1 43 44 A T > - 0 0 17 5,-2.8 3,-1.2 -2,-0.4 5,-0.2 -0.191 20.1-107.9 -71.4 164.6 58.7 58.1 42.7 44 45 A P T 3 S+ 0 0 97 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.905 120.5 58.8 -59.2 -42.4 58.4 61.9 42.5 45 46 A D T 3 S- 0 0 86 1,-0.1 -2,-0.0 2,-0.0 -3,-0.0 0.706 101.9-141.0 -60.8 -16.9 60.8 62.4 45.4 46 47 A G S < S+ 0 0 32 -3,-1.2 -1,-0.1 2,-0.2 -4,-0.0 0.410 81.8 92.0 72.2 -2.2 63.3 60.5 43.1 47 48 A K S S+ 0 0 159 -43,-0.1 2,-0.3 -42,-0.1 -1,-0.1 0.269 82.6 50.3-105.9 9.4 64.7 58.7 46.1 48 49 A H - 0 0 114 -5,-0.2 -5,-2.8 2,-0.0 2,-0.3 -0.972 59.2-165.2-143.9 157.5 62.4 55.7 45.9 49 50 A A E -C 42 0A 24 -2,-0.3 2,-0.5 -7,-0.3 -7,-0.2 -0.993 10.2-146.9-144.2 145.8 61.2 53.2 43.2 50 51 A I E -C 41 0A 98 -9,-2.7 -9,-2.6 -2,-0.3 2,-0.7 -0.966 2.1-156.6-120.1 125.4 58.3 50.8 43.2 51 52 A S E +C 40 0A 65 -2,-0.5 2,-0.3 -11,-0.2 -11,-0.2 -0.883 56.9 71.8 -97.7 117.4 58.5 47.4 41.4 52 53 A G S S- 0 0 20 -13,-2.2 2,-0.5 -2,-0.7 -13,-0.4 -0.973 80.3 -46.1 173.2-157.1 54.9 46.4 40.6 53 54 A Y - 0 0 108 -2,-0.3 2,-0.4 -15,-0.1 -2,-0.0 -0.927 38.4-146.7-116.7 129.5 51.8 46.9 38.6 54 55 A M - 0 0 42 -2,-0.5 8,-1.7 7,-0.0 9,-1.1 -0.773 14.4-169.4 -95.2 133.3 50.1 50.2 37.9 55 56 A Y B -D 61 0B 140 -2,-0.4 6,-0.2 6,-0.2 2,-0.2 -0.881 8.2-146.1-117.9 150.7 46.3 50.5 37.6 56 57 A N > - 0 0 56 4,-1.5 3,-1.4 -2,-0.3 0, 0.0 -0.459 37.6 -88.9-105.9-177.7 44.2 53.4 36.3 57 58 A E T 3 S+ 0 0 203 1,-0.3 -1,-0.0 -2,-0.2 -2,-0.0 0.852 125.9 56.2 -60.1 -37.5 40.8 54.7 37.3 58 59 A K T 3 S- 0 0 200 1,-0.1 -1,-0.3 2,-0.1 -3,-0.0 0.581 119.9-111.2 -72.5 -8.7 39.0 52.4 34.8 59 60 A G < + 0 0 48 -3,-1.4 2,-0.3 1,-0.3 -2,-0.1 0.583 64.9 150.0 91.4 10.2 40.7 49.5 36.5 60 61 A E - 0 0 85 1,-0.1 -4,-1.5 2,-0.0 2,-1.4 -0.577 50.5-128.9 -78.7 138.1 43.1 48.5 33.7 61 62 A N B > -D 55 0B 19 -2,-0.3 4,-2.2 -6,-0.2 -6,-0.2 -0.742 27.9-174.8 -85.6 93.7 46.4 46.9 34.7 62 63 A L H > S+ 0 0 54 -8,-1.7 4,-2.3 -2,-1.4 -1,-0.2 0.824 79.4 55.1 -60.5 -35.0 48.6 49.3 32.6 63 64 A S H > S+ 0 0 0 -9,-1.1 4,-3.0 2,-0.2 5,-0.2 0.938 108.0 48.7 -65.3 -45.8 51.8 47.4 33.5 64 65 A N H > S+ 0 0 27 -10,-0.2 4,-2.9 1,-0.2 5,-0.3 0.932 111.0 50.9 -57.7 -48.7 50.2 44.1 32.2 65 66 A T H X S+ 0 0 30 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.911 113.8 44.4 -56.1 -46.1 49.1 45.8 29.0 66 67 A L H X S+ 0 0 37 -4,-2.3 4,-2.9 2,-0.2 5,-0.4 0.911 113.7 49.4 -66.5 -44.7 52.6 47.2 28.4 67 68 A I H X>S+ 0 0 4 -4,-3.0 4,-2.1 2,-0.2 5,-1.7 0.908 114.6 44.3 -62.9 -43.3 54.4 44.0 29.3 68 69 A E H <>S+ 0 0 6 -4,-2.9 5,-2.5 -5,-0.2 -2,-0.2 0.956 117.3 45.8 -66.6 -46.8 52.2 41.9 27.0 69 70 A K H <5S+ 0 0 111 -4,-2.4 -2,-0.2 -5,-0.3 -1,-0.2 0.881 126.1 26.6 -63.2 -43.1 52.4 44.5 24.2 70 71 A E H <5S+ 0 0 11 -4,-2.9 -3,-0.2 -5,-0.2 -1,-0.2 0.679 132.8 22.6 -98.4 -20.8 56.2 45.1 24.3 71 72 A I T <5S+ 0 0 28 -4,-2.1 4,-0.4 -5,-0.4 -3,-0.2 0.812 124.5 31.9-110.5 -62.4 57.7 41.8 25.7 72 73 A Y T >4 S+ 0 0 15 0, 0.0 3,-2.0 0, 0.0 4,-0.5 0.795 88.6 59.4 -33.9 -63.8 56.2 40.9 19.4 75 76 A A G 34 S+ 0 0 23 -4,-0.4 3,-0.3 1,-0.3 4,-0.2 0.755 105.8 50.0 -47.0 -32.6 58.5 37.9 18.5 76 77 A G G X> S+ 0 0 7 -3,-1.3 4,-1.5 -4,-0.3 3,-0.9 0.635 86.4 86.2 -85.2 -13.0 55.5 35.8 17.3 77 78 A R H S+ 0 0 19 -4,-0.5 4,-1.8 -3,-0.3 -1,-0.3 0.790 107.3 54.1 -64.0 -25.5 56.1 37.5 12.0 79 80 A M H <> S+ 0 0 1 -3,-0.9 4,-1.9 -4,-0.2 -1,-0.2 0.858 104.2 52.4 -74.5 -37.7 54.9 33.9 12.4 80 81 A W H X S+ 0 0 50 -4,-1.5 4,-2.1 1,-0.2 -2,-0.2 0.891 110.1 50.6 -65.1 -38.9 51.2 34.9 12.4 81 82 A Q H X S+ 0 0 33 -4,-1.9 4,-2.1 1,-0.2 -2,-0.2 0.909 106.9 53.4 -63.7 -44.9 52.0 36.7 9.1 82 83 A R H < S+ 0 0 39 -4,-1.8 4,-0.3 1,-0.2 -1,-0.2 0.857 108.7 49.8 -60.6 -36.5 53.7 33.6 7.7 83 84 A M H >< S+ 0 0 0 -4,-1.9 3,-1.4 1,-0.2 -1,-0.2 0.938 109.6 50.9 -68.3 -42.5 50.6 31.6 8.5 84 85 A E H 3< S+ 0 0 94 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.853 110.3 50.1 -61.7 -34.2 48.4 34.2 6.8 85 86 A Q T 3< S+ 0 0 139 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.491 97.1 93.8 -83.7 -2.4 50.6 34.1 3.7 86 87 A S S < S- 0 0 30 -3,-1.4 2,-1.4 -4,-0.3 -3,-0.1 -0.299 92.9 -94.3 -84.8 172.1 50.4 30.3 3.5 87 88 A H + 0 0 94 96,-0.1 46,-0.4 46,-0.1 2,-0.2 -0.655 60.5 165.5 -89.4 83.1 48.0 28.1 1.5 88 89 A W - 0 0 59 -2,-1.4 2,-0.4 -4,-0.2 44,-0.2 -0.611 35.0-123.3 -98.1 159.8 45.3 27.5 4.1 89 90 A L E -E 131 0C 12 42,-2.0 42,-2.4 -2,-0.2 2,-0.4 -0.865 26.0-126.7-103.1 135.2 41.8 26.2 3.6 90 91 A L E +E 130 0C 28 -2,-0.4 2,-0.5 40,-0.2 40,-0.2 -0.673 25.6 177.9 -88.0 131.4 38.9 28.3 4.9 91 92 A D E +E 129 0C 4 38,-1.9 38,-2.9 -2,-0.4 2,-0.2 -0.920 62.2 12.2-130.2 100.2 36.2 26.8 7.2 92 93 A G S S- 0 0 27 -2,-0.5 2,-0.2 36,-0.2 36,-0.2 -0.686 107.2 -25.8 125.2-179.3 33.7 29.6 8.1 93 94 A K > - 0 0 115 29,-0.4 3,-2.0 34,-0.3 -2,-0.1 -0.454 49.5-132.8 -70.9 137.2 32.8 33.1 6.9 94 95 A K T 3 S+ 0 0 167 1,-0.3 -1,-0.1 -2,-0.2 34,-0.1 0.773 109.1 48.4 -59.3 -25.6 35.6 35.0 5.2 95 96 A D T 3 S+ 0 0 112 32,-0.1 -1,-0.3 3,-0.0 -2,-0.1 0.293 75.9 137.0 -99.5 10.0 34.6 38.0 7.4 96 97 A A < - 0 0 4 -3,-2.0 30,-0.2 1,-0.1 32,-0.2 -0.376 52.7-140.0 -57.3 128.9 34.5 36.1 10.7 97 98 A P S S+ 0 0 108 0, 0.0 2,-0.6 0, 0.0 30,-0.2 0.795 83.0 67.0 -63.3 -32.6 36.3 38.3 13.3 98 99 A V E -f 127 0C 41 28,-2.3 30,-2.7 129,-0.1 2,-0.5 -0.838 68.9-162.8 -98.7 120.9 38.2 35.5 15.1 99 100 A I E +f 128 0C 43 -2,-0.6 106,-0.4 28,-0.2 2,-0.4 -0.872 9.1 179.9-104.7 129.7 40.9 33.8 13.1 100 101 A V E -f 129 0C 0 28,-2.2 30,-3.1 -2,-0.5 2,-0.3 -0.995 11.7-155.4-130.4 127.3 42.2 30.4 14.2 101 102 A Y E -fG 130 203C 0 102,-2.5 102,-2.7 -2,-0.4 2,-0.4 -0.796 10.7-171.5-100.7 144.7 45.0 28.5 12.3 102 103 A V E -fG 131 202C 7 28,-2.2 30,-2.7 -2,-0.3 2,-0.7 -0.982 18.3-149.9-140.6 126.6 45.3 24.8 12.7 103 104 A F E +fG 132 201C 0 98,-2.6 98,-1.5 -2,-0.4 2,-0.3 -0.859 35.5 175.9 -92.4 119.3 48.0 22.5 11.4 104 105 A A E -f 133 0C 2 28,-1.4 30,-2.2 -2,-0.7 -2,-0.0 -0.962 27.7-152.2-133.3 149.8 46.3 19.2 10.7 105 106 A D > - 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0 0 0 -2,-0.3 3,-0.4 28,-0.2 30,-0.1 -0.876 27.3-124.6-115.5 147.0 68.7 55.6 12.2 336 107 B P S S+ 0 0 0 0, 0.0 2,-0.5 0, 0.0 29,-0.1 0.732 107.7 51.9 -63.8 -23.9 71.2 58.2 10.9 337 108 B F S S+ 0 0 72 31,-0.1 34,-0.1 4,-0.0 59,-0.0 -0.607 81.1 112.0-115.4 71.7 69.7 60.9 13.1 338 109 B C >> - 0 0 10 -2,-0.5 4,-1.3 -3,-0.4 3,-0.8 -0.873 48.4-160.8-146.6 106.8 69.6 59.2 16.5 339 110 B P H 3> S+ 0 0 92 0, 0.0 4,-1.8 0, 0.0 3,-0.2 0.875 94.0 50.8 -53.5 -45.0 71.8 60.5 19.4 340 111 B Y H 3> S+ 0 0 117 89,-0.2 4,-2.5 1,-0.2 5,-0.2 0.738 101.0 62.4 -71.1 -21.1 71.6 57.2 21.4 341 112 B C H <> S+ 0 0 4 -3,-0.8 4,-1.9 2,-0.2 -1,-0.2 0.927 108.6 43.3 -65.9 -42.7 72.5 55.1 18.4 342 113 B K H X S+ 0 0 31 -4,-1.3 4,-1.9 2,-0.2 -2,-0.2 0.862 113.3 51.2 -70.0 -36.4 75.9 56.9 18.4 343 114 B Q H X S+ 0 0 90 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.896 111.2 47.2 -69.1 -39.1 76.2 56.7 22.2 344 115 B F H X S+ 0 0 4 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.887 108.1 56.6 -68.0 -37.5 75.6 52.9 22.1 345 116 B W H X S+ 0 0 29 -4,-1.9 4,-0.6 1,-0.2 -2,-0.2 0.939 109.3 46.6 -56.2 -45.6 78.1 52.6 19.3 346 117 B Q H >< S+ 0 0 116 -4,-1.9 3,-1.0 1,-0.2 -2,-0.2 0.888 107.3 56.5 -63.9 -42.0 80.6 54.3 21.6 347 118 B Q H 3< S+ 0 0 42 -4,-2.2 4,-0.3 1,-0.2 -1,-0.2 0.843 104.8 53.8 -59.0 -35.5 79.7 52.0 24.6 348 119 B A H >X S+ 0 0 0 -4,-1.9 4,-2.4 -3,-0.2 3,-0.9 0.652 78.9 96.6 -76.8 -16.1 80.4 48.9 22.5 349 120 B R H S+ 0 0 28 -3,-0.9 5,-1.8 -4,-0.3 6,-1.6 0.838 119.8 48.6 -79.7 -37.4 84.2 44.6 23.1 352 123 B V H ><5S+ 0 0 5 -4,-2.4 3,-1.3 1,-0.2 -29,-0.4 0.925 110.8 49.5 -70.6 -43.7 84.1 45.3 19.4 353 124 B D T 3<5S+ 0 0 120 -4,-3.1 -1,-0.2 -5,-0.3 -2,-0.2 0.488 110.5 53.1 -75.0 -0.9 87.7 46.4 19.1 354 125 B S T 3 5S- 0 0 79 -3,-0.5 -1,-0.3 -5,-0.2 -2,-0.2 0.369 113.4-114.7-110.7 -1.2 88.8 43.3 21.1 355 126 B G T < 5S+ 0 0 23 -3,-1.3 -3,-0.2 2,-0.3 -2,-0.1 0.564 87.7 111.6 78.6 9.3 87.0 40.8 18.8 356 127 B K S S- 0 0 119 1,-0.1 3,-1.3 0, 0.0 -1,-0.1 -0.783 79.0-106.2-121.1 164.5 63.7 62.4 10.5 369 140 B P T 3 S+ 0 0 134 0, 0.0 4,-0.3 0, 0.0 -1,-0.1 0.860 123.2 42.4 -54.1 -37.9 62.7 63.7 7.0 370 141 B E T 3> S+ 0 0 79 1,-0.2 4,-2.6 2,-0.1 5,-0.3 0.505 87.2 97.3 -89.0 -4.3 66.2 63.1 5.7 371 142 B S H <> S+ 0 0 0 -3,-1.3 4,-2.7 1,-0.2 5,-0.3 0.903 83.4 48.1 -52.4 -47.7 66.7 59.7 7.5 372 143 B P H > S+ 0 0 48 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.948 114.3 44.3 -60.2 -50.1 65.8 57.6 4.4 373 144 B A H > S+ 0 0 25 -4,-0.3 4,-2.0 2,-0.2 -2,-0.2 0.878 115.9 47.9 -63.2 -39.1 68.0 59.5 2.0 374 145 B T H X S+ 0 0 7 -4,-2.6 4,-1.8 2,-0.2 -1,-0.2 0.925 112.3 47.8 -69.4 -43.8 70.9 59.5 4.4 375 146 B A H X S+ 0 0 0 -4,-2.7 4,-2.1 -5,-0.3 -2,-0.2 0.927 113.7 49.2 -61.2 -42.9 70.6 55.8 5.3 376 147 B A H X S+ 0 0 2 -4,-2.6 4,-1.7 -5,-0.3 -1,-0.2 0.868 106.5 55.5 -63.3 -37.7 70.4 55.1 1.5 377 148 B A H X S+ 0 0 7 -4,-2.0 4,-0.7 2,-0.2 -1,-0.2 0.876 107.5 49.9 -63.2 -37.5 73.5 57.2 0.9 378 149 B I H >< S+ 0 0 0 -4,-1.8 3,-1.0 1,-0.2 -2,-0.2 0.931 111.3 48.1 -67.0 -44.4 75.4 55.1 3.4 379 150 B L H 3< S+ 0 0 22 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.781 110.1 54.6 -65.6 -26.0 74.2 51.9 1.7 380 151 B A H 3< S+ 0 0 48 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.575 87.0 105.2 -84.8 -11.0 75.2 53.4 -1.7 381 152 B S S << S- 0 0 33 -3,-1.0 4,-0.1 -4,-0.7 -3,-0.0 -0.177 86.0-107.0 -67.5 164.2 78.8 54.2 -0.6 382 153 B K S S+ 0 0 220 1,-0.3 -1,-0.1 2,-0.1 -4,-0.0 0.877 116.3 21.4 -58.7 -41.5 81.8 52.1 -1.8 383 154 B D S > S- 0 0 80 1,-0.1 4,-2.7 -5,-0.1 -1,-0.3 -0.781 73.1-177.6-130.5 84.2 82.2 50.5 1.6 384 155 B P H > S+ 0 0 30 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.878 82.2 52.1 -50.3 -46.7 78.9 50.8 3.4 385 156 B A H > S+ 0 0 27 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.906 113.1 44.3 -59.5 -43.6 80.1 49.2 6.6 386 157 B K H > S+ 0 0 118 -3,-0.3 4,-2.4 2,-0.2 5,-0.2 0.910 111.9 52.6 -68.5 -41.7 83.1 51.5 6.8 387 158 B T H X S+ 0 0 17 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.888 108.6 50.9 -61.9 -37.4 81.0 54.5 6.0 388 159 B W H X S+ 0 0 5 -4,-2.4 4,-2.8 -5,-0.2 5,-0.2 0.908 108.6 51.6 -66.4 -40.8 78.6 53.6 8.8 389 160 B Q H X S+ 0 0 38 -4,-1.8 4,-2.8 1,-0.2 -2,-0.2 0.924 112.4 45.4 -60.4 -44.7 81.5 53.3 11.3 390 161 B Q H X S+ 0 0 80 -4,-2.4 4,-2.1 2,-0.2 6,-0.3 0.883 111.6 53.9 -66.5 -37.9 82.8 56.8 10.3 391 162 B Y H <>S+ 0 0 10 -4,-2.4 5,-2.5 -5,-0.2 7,-0.3 0.951 114.6 39.0 -61.9 -49.8 79.3 58.2 10.5 392 163 B E H ><5S+ 0 0 6 -4,-2.8 3,-1.4 1,-0.2 -2,-0.2 0.920 115.9 51.5 -67.3 -43.6 78.7 56.9 14.0 393 164 B A H 3<5S+ 0 0 58 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.832 109.7 49.9 -63.4 -33.0 82.2 57.7 15.2 394 165 B S T ><5S- 0 0 37 -4,-2.1 3,-1.0 -5,-0.2 -1,-0.3 0.405 113.5-116.2 -87.0 2.9 82.0 61.3 13.9 395 166 B G T < 5S- 0 0 44 -3,-1.4 -3,-0.2 1,-0.2 -2,-0.1 0.782 74.4 -54.7 68.0 24.8 78.7 61.9 15.6 396 167 B G T 3 - 0 0 25 -2,-0.5 4,-2.8 1,-0.1 5,-0.2 -0.251 16.9-113.1 -70.4 159.2 67.4 53.4 -5.5 408 179 B T H > S+ 0 0 110 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.888 120.0 51.0 -57.7 -40.3 64.9 50.5 -5.7 409 180 B E H > S+ 0 0 134 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.916 111.8 46.1 -64.3 -44.6 67.4 48.2 -4.1 410 181 B Q H > S+ 0 0 30 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.876 109.1 54.4 -66.5 -39.5 68.0 50.7 -1.2 411 182 B M H X S+ 0 0 110 -4,-2.8 4,-2.9 1,-0.2 -1,-0.2 0.905 108.3 50.9 -60.8 -41.3 64.3 51.3 -0.7 412 183 B K H X S+ 0 0 127 -4,-1.9 4,-3.0 -5,-0.2 5,-0.2 0.909 109.8 49.0 -63.4 -43.9 63.8 47.5 -0.3 413 184 B V H X S+ 0 0 23 -4,-1.8 4,-2.5 2,-0.2 5,-0.2 0.959 115.9 42.4 -61.0 -51.4 66.6 47.2 2.2 414 185 B L H X S+ 0 0 7 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.901 115.8 50.7 -62.1 -41.2 65.2 50.1 4.3 415 186 B S H X S+ 0 0 66 -4,-2.9 4,-2.0 -5,-0.2 -2,-0.2 0.928 112.3 45.3 -62.8 -48.2 61.7 48.8 3.9 416 187 B D H X S+ 0 0 64 -4,-3.0 4,-2.2 1,-0.2 5,-0.2 0.921 112.9 50.1 -63.1 -45.5 62.5 45.2 4.9 417 188 B N H X S+ 0 0 1 -4,-2.5 4,-2.3 -5,-0.2 -1,-0.2 0.881 110.7 50.6 -61.6 -38.1 64.5 46.4 7.9 418 189 B E H X S+ 0 0 44 -4,-2.1 4,-2.6 -5,-0.2 -1,-0.2 0.881 107.9 52.4 -67.7 -37.9 61.7 48.6 9.1 419 190 B K H X S+ 0 0 94 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.917 111.4 46.2 -64.7 -42.3 59.2 45.8 8.8 420 191 B L H X S+ 0 0 18 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.922 111.8 52.1 -64.8 -42.8 61.3 43.6 11.0 421 192 B M H <>S+ 0 0 1 -4,-2.3 5,-0.8 1,-0.2 -2,-0.2 0.910 110.9 47.6 -59.0 -42.7 61.8 46.4 13.4 422 193 B D H ><5S+ 0 0 68 -4,-2.6 3,-1.5 1,-0.2 -1,-0.2 0.873 106.1 57.3 -67.5 -37.4 58.1 47.0 13.6 423 194 B D H 3<5S+ 0 0 2 -4,-2.2 -346,-0.3 1,-0.3 -1,-0.2 0.877 103.8 55.3 -60.0 -36.3 57.5 43.2 14.1 424 195 B L T 3<5S- 0 0 5 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.465 111.6-121.4 -79.0 -1.1 59.7 43.4 17.2 425 196 B G T < 5S+ 0 0 24 -3,-1.5 2,-0.7 -4,-0.2 -3,-0.2 0.308 76.8 108.1 84.7 -9.2 57.7 46.2 18.8 426 197 B A < + 0 0 2 -5,-0.8 -2,-0.1 1,-0.1 -1,-0.1 -0.871 32.4 173.5-109.4 104.7 60.2 49.0 19.2 427 198 B N + 0 0 103 -2,-0.7 2,-0.3 -5,-0.1 -1,-0.1 0.431 61.5 87.2 -84.4 -0.3 59.7 51.9 16.8 428 199 B V S S- 0 0 89 2,-0.1 18,-0.1 -3,-0.1 -95,-0.1 -0.795 81.2-100.1-101.6 142.9 62.4 53.8 18.6 429 200 B T S S+ 0 0 7 -2,-0.3 -89,-0.2 1,-0.1 -88,-0.2 -0.835 96.8 45.4-110.1 150.1 66.1 53.5 17.7 430 201 B P + 0 0 2 0, 0.0 16,-2.2 0, 0.0 2,-0.6 0.522 69.2 177.2 -79.6 144.1 68.4 52.1 18.7 431 202 B A E -OP 333 445F 0 -98,-1.6 -98,-2.6 14,-0.2 2,-0.4 -0.969 15.5-162.0-112.6 110.9 66.5 48.9 19.0 432 203 B I E -OP 332 444F 0 12,-3.5 12,-1.8 -2,-0.6 2,-0.4 -0.839 8.7-169.8-104.2 131.0 69.0 46.3 20.2 433 204 B Y E +OP 331 443F 4 -102,-3.0 -102,-2.4 -2,-0.4 2,-0.3 -0.958 12.2 159.8-124.4 135.1 68.6 42.5 20.0 434 205 B Y E - P 0 442F 17 8,-1.7 8,-3.2 -2,-0.4 2,-0.4 -0.942 33.5-113.7-144.6 163.7 70.7 39.8 21.5 435 206 B M E - P 0 441F 45 -106,-0.5 6,-0.2 -2,-0.3 2,-0.1 -0.846 21.5-139.0-106.6 139.3 70.3 36.1 22.4 436 207 B S > - 0 0 24 4,-2.2 3,-1.7 -2,-0.4 6,-0.0 -0.377 34.4-103.0 -83.7 169.3 70.4 34.7 25.9 437 208 B K T 3 S+ 0 0 205 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.746 123.3 62.3 -65.3 -20.4 72.2 31.5 26.7 438 209 B E T 3 S- 0 0 99 2,-0.1 -1,-0.3 1,-0.0 3,-0.1 0.177 119.7-109.7 -90.2 17.4 68.8 29.8 26.8 439 210 B N S < S+ 0 0 83 -3,-1.7 2,-0.4 1,-0.2 -132,-0.2 0.783 74.5 137.3 61.3 28.4 68.2 30.7 23.1 440 211 B T - 0 0 5 -134,-0.1 -4,-2.2 -133,-0.1 2,-0.2 -0.908 57.2-115.0-109.9 136.2 65.6 33.3 23.9 441 212 B L E -P 435 0F 28 -2,-0.4 2,-0.3 -139,-0.3 -6,-0.2 -0.475 33.3-167.9 -71.2 130.2 65.5 36.7 22.2 442 213 B Q E -P 434 0F 27 -8,-3.2 -8,-1.7 -2,-0.2 2,-0.3 -0.809 2.1-154.1-117.9 160.1 66.2 39.7 24.4 443 214 B Q E -P 433 0F 19 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.943 14.4-178.3-136.7 153.3 65.8 43.5 23.7 444 215 B A E -P 432 0F 1 -12,-1.8 -12,-3.5 -2,-0.3 2,-0.4 -0.973 12.0-165.9-146.7 136.9 67.2 46.8 24.8 445 216 B V E -P 431 0F 14 -428,-2.3 -426,-0.4 -2,-0.3 2,-0.2 -0.995 55.2 -2.6-131.1 134.5 65.9 50.2 23.5 446 217 B G S S- 0 0 11 -16,-2.2 -14,-0.1 -2,-0.4 -2,-0.0 -0.598 118.1 -14.4 89.0-152.7 67.6 53.6 23.9 447 218 B L S S- 0 0 66 -2,-0.2 -2,-0.1 -104,-0.0 -106,-0.1 -0.786 73.4-134.2 -92.5 114.1 70.8 54.0 25.8 448 219 B P - 0 0 11 0, 0.0 2,-0.1 0, 0.0 -431,-0.1 -0.281 14.2-128.3 -64.4 146.1 71.5 50.9 28.0 449 220 B D > - 0 0 20 -433,-0.2 4,-2.7 1,-0.1 5,-0.2 -0.290 40.7 -85.9 -83.0 180.0 72.7 51.3 31.6 450 221 B Q H > S+ 0 0 99 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.891 126.7 46.6 -56.7 -45.2 75.8 49.6 32.8 451 222 B K H > S+ 0 0 58 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.956 114.9 45.3 -63.6 -50.5 74.2 46.3 33.7 452 223 B T H > S+ 0 0 2 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.911 112.0 53.6 -60.5 -41.7 72.2 46.0 30.5 453 224 B L H X S+ 0 0 5 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.944 108.7 48.0 -58.5 -49.8 75.2 46.9 28.4 454 225 B N H <>S+ 0 0 42 -4,-2.3 5,-3.2 1,-0.2 -1,-0.2 0.872 113.0 48.9 -60.2 -36.6 77.4 44.3 30.0 455 226 B I H ><5S+ 0 0 57 -4,-2.0 3,-1.4 3,-0.2 -1,-0.2 0.911 110.2 50.1 -70.4 -41.7 74.7 41.6 29.4 456 227 B I H 3<5S+ 0 0 2 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.932 109.7 52.3 -60.1 -44.3 74.3 42.6 25.8 457 228 B M T 3<5S- 0 0 3 -4,-2.6 -1,-0.3 -5,-0.2 -2,-0.2 0.464 120.6-110.4 -72.2 -1.4 78.0 42.4 25.3 458 229 B G T < 5 0 0 50 -3,-1.4 -3,-0.2 1,-0.3 -2,-0.1 0.759 360.0 360.0 78.9 24.0 78.0 38.9 26.8 459 230 B N < 0 0 122 -5,-3.2 -1,-0.3 -6,-0.2 -2,-0.1 -0.636 360.0 360.0 -73.5 360.0 79.9 39.7 30.0