==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 15-MAY-06 2H0H . COMPND 2 MOLECULE: THIOL:DISULFIDE INTERCHANGE PROTEIN DSBG; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR A.HINIKER,B.HERAS,J.L.MARTIN,J.STUCKEY,J.C.A.BARDWELL . 459 2 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22425.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 309 67.3 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 . 73 15.9 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 . 26 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 135 29.4 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 2 0 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 5 1 2 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 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 0 175 0, 0.0 3,-0.1 0, 0.0 449,-0.0 0.000 360.0 360.0 360.0 174.8 73.9 56.7 35.1 2 3 A L - 0 0 24 1,-0.1 5,-0.1 2,-0.1 449,-0.0 -0.351 360.0-100.7 -65.5 136.5 71.0 54.7 36.5 3 4 A P >> - 0 0 33 0, 0.0 4,-2.3 0, 0.0 3,-0.7 -0.273 32.5-115.8 -57.6 143.5 69.3 56.1 39.7 4 5 A A H 3> S+ 0 0 81 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.876 113.1 54.0 -48.3 -48.6 70.5 54.3 42.9 5 6 A P H 3> S+ 0 0 27 0, 0.0 4,-1.2 0, 0.0 -1,-0.2 0.881 111.6 45.3 -56.9 -39.4 67.0 52.9 43.7 6 7 A V H <> S+ 0 0 0 -3,-0.7 4,-2.0 2,-0.2 -2,-0.2 0.874 108.9 55.3 -72.5 -38.3 66.7 51.3 40.3 7 8 A K H X S+ 0 0 60 -4,-2.3 4,-1.6 1,-0.2 -1,-0.2 0.862 104.1 56.6 -61.9 -33.2 70.3 50.0 40.4 8 9 A A H < S+ 0 0 53 -4,-2.0 4,-0.4 -5,-0.2 -1,-0.2 0.893 106.4 48.6 -64.6 -39.9 69.3 48.3 43.7 9 10 A I H ><>S+ 0 0 25 -4,-1.2 3,-1.2 1,-0.2 5,-0.6 0.853 104.8 59.1 -69.9 -33.4 66.4 46.5 41.9 10 11 A E H >X5S+ 0 0 1 -4,-2.0 3,-1.7 1,-0.3 4,-1.5 0.910 99.3 58.7 -59.7 -40.9 68.8 45.4 39.1 11 12 A K T 3<5S+ 0 0 143 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.675 91.2 70.4 -62.1 -17.4 70.9 43.6 41.8 12 13 A Q T <45S- 0 0 149 -3,-1.2 -1,-0.3 -4,-0.4 -2,-0.2 0.268 133.7 -83.6 -83.7 12.5 67.8 41.6 42.6 13 14 A G T <45S+ 0 0 35 -3,-1.7 21,-0.4 1,-0.3 2,-0.4 0.746 85.9 138.1 94.2 27.7 68.3 39.9 39.3 14 15 A I << - 0 0 11 -4,-1.5 2,-0.5 -5,-0.6 -1,-0.3 -0.860 36.5-158.6-110.2 140.6 66.6 42.3 36.8 15 16 A T E -A 32 0A 34 17,-2.4 17,-1.6 -2,-0.4 2,-0.2 -0.970 20.6-131.6-118.4 119.8 68.0 43.3 33.4 16 17 A I E -A 31 0A 10 -2,-0.5 15,-0.3 15,-0.2 434,-0.1 -0.493 21.9-177.9 -76.8 136.0 66.7 46.5 32.0 17 18 A I E - 0 0 11 13,-3.5 429,-2.5 1,-0.4 2,-0.3 0.857 62.4 -40.5 -94.0 -50.3 65.4 46.7 28.4 18 19 A K E -A 30 0A 32 12,-1.4 12,-3.4 427,-0.2 -1,-0.4 -0.981 53.9 -99.9-171.0 168.3 64.5 50.4 28.1 19 20 A T E -A 29 0A 86 427,-0.3 2,-0.3 -2,-0.3 10,-0.3 -0.635 36.2-176.5 -97.4 157.9 63.0 53.4 29.8 20 21 A F E -A 28 0A 39 8,-2.3 8,-2.6 -2,-0.2 2,-0.4 -0.973 32.0 -90.1-150.7 161.7 59.5 54.6 29.1 21 22 A D E -A 27 0A 163 -2,-0.3 6,-0.2 6,-0.2 8,-0.0 -0.606 42.0-177.3 -80.0 131.2 57.2 57.5 30.1 22 23 A A - 0 0 17 4,-1.2 3,-0.5 -2,-0.4 4,-0.2 -0.843 27.8 -97.7-122.6 160.3 55.0 57.0 33.2 23 24 A P S > S+ 0 0 80 0, 0.0 3,-1.1 0, 0.0 -1,-0.1 -0.222 94.3 36.5 -74.6 166.0 52.3 59.2 34.8 24 25 A G T 3 S- 0 0 70 1,-0.2 3,-0.1 19,-0.0 0, 0.0 0.652 130.2 -62.5 69.3 18.9 52.7 61.6 37.7 25 26 A G T 3 S+ 0 0 67 -3,-0.5 2,-0.3 1,-0.3 -1,-0.2 0.660 101.2 138.5 80.8 14.0 56.2 62.7 36.9 26 27 A M < - 0 0 34 -3,-1.1 -4,-1.2 -4,-0.2 2,-0.4 -0.665 47.9-138.1 -93.6 149.7 57.5 59.1 37.4 27 28 A K E -AB 21 42A 94 15,-0.9 15,-2.7 -2,-0.3 2,-0.3 -0.881 18.8-143.6-106.5 139.3 60.0 57.5 35.0 28 29 A G E -AB 20 41A 0 -8,-2.6 -8,-2.3 -2,-0.4 2,-0.4 -0.769 11.4-164.9-108.0 150.6 59.5 54.0 33.9 29 30 A Y E -AB 19 40A 10 11,-2.3 11,-2.4 -2,-0.3 2,-0.5 -0.995 9.0-153.6-131.8 124.7 61.9 51.2 33.3 30 31 A L E +AB 18 39A 0 -12,-3.4 -13,-3.5 -2,-0.4 -12,-1.4 -0.852 33.3 143.6 -98.7 130.9 61.0 48.0 31.4 31 32 A G E -AB 16 38A 0 7,-2.9 7,-2.8 -2,-0.5 2,-0.3 -0.802 37.8-117.4-149.0-169.2 63.0 44.9 32.3 32 33 A K E -AB 15 37A 31 -17,-1.6 -17,-2.4 5,-0.3 2,-0.5 -0.996 1.8-159.4-143.9 145.9 63.0 41.2 32.8 33 34 A Y E > S- B 0 36A 99 3,-2.8 3,-2.4 -2,-0.3 2,-0.3 -0.979 82.0 -44.6-122.1 107.0 63.8 38.8 35.7 34 35 A Q T 3 S- 0 0 99 -2,-0.5 -19,-0.1 -21,-0.4 -21,-0.0 -0.518 126.7 -24.8 65.8-122.6 64.6 35.5 34.0 35 36 A D T 3 S+ 0 0 12 -2,-0.3 2,-0.5 -3,-0.1 -1,-0.3 0.360 118.4 104.9-101.5 5.9 61.9 35.2 31.3 36 37 A M E < -B 33 0A 70 -3,-2.4 -3,-2.8 231,-0.1 2,-0.2 -0.758 65.9-135.8 -94.8 126.4 59.4 37.4 33.3 37 38 A G E -B 32 0A 3 -2,-0.5 2,-0.3 -5,-0.2 -5,-0.3 -0.516 27.0-175.4 -77.2 143.7 58.8 41.0 32.2 38 39 A V E -B 31 0A 9 -7,-2.8 -7,-2.9 -2,-0.2 2,-0.4 -0.980 18.6-144.5-141.1 152.6 58.7 43.6 34.9 39 40 A T E -B 30 0A 2 13,-0.4 13,-2.1 -2,-0.3 2,-0.4 -0.962 12.8-167.0-119.6 136.2 58.0 47.4 35.2 40 41 A I E -BC 29 51A 0 -11,-2.4 -11,-2.3 -2,-0.4 2,-0.5 -0.966 4.8-157.6-122.1 138.0 59.9 49.7 37.6 41 42 A Y E -BC 28 50A 12 9,-2.5 9,-3.0 -2,-0.4 2,-0.4 -0.968 10.0-142.8-124.0 122.3 58.8 53.2 38.5 42 43 A L E -BC 27 49A 14 -15,-2.7 -15,-0.9 -2,-0.5 7,-0.3 -0.665 29.1-123.5 -80.9 127.9 61.1 55.9 39.9 43 44 A T > - 0 0 17 5,-3.0 3,-1.4 -2,-0.4 5,-0.2 -0.173 19.1-109.0 -69.8 164.0 59.3 58.0 42.5 44 45 A P T 3 S+ 0 0 99 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.866 121.0 58.9 -60.5 -38.1 58.9 61.8 42.2 45 46 A D T 3 S- 0 0 86 1,-0.1 -2,-0.0 2,-0.0 -3,-0.0 0.628 101.9-142.0 -66.8 -11.2 61.3 62.3 45.1 46 47 A G S < S+ 0 0 31 -3,-1.4 -1,-0.1 2,-0.2 -4,-0.0 0.397 81.5 92.5 66.2 -3.3 63.7 60.4 42.8 47 48 A K S S+ 0 0 163 -43,-0.1 2,-0.3 -42,-0.1 -1,-0.1 0.274 82.7 49.3-103.8 9.4 65.2 58.5 45.8 48 49 A H - 0 0 111 -5,-0.2 -5,-3.0 2,-0.0 2,-0.3 -0.972 59.1-164.7-144.3 157.8 62.9 55.5 45.5 49 50 A A E -C 42 0A 25 -2,-0.3 2,-0.5 -7,-0.3 -7,-0.3 -0.995 11.1-146.0-144.1 142.8 61.7 53.1 42.9 50 51 A I E -C 41 0A 97 -9,-3.0 -9,-2.5 -2,-0.3 2,-0.7 -0.950 2.3-156.8-116.7 125.3 58.8 50.7 42.9 51 52 A S E +C 40 0A 64 -2,-0.5 2,-0.3 -11,-0.2 -11,-0.2 -0.877 56.4 71.2 -97.9 115.8 58.9 47.3 41.1 52 53 A G S S- 0 0 20 -13,-2.1 2,-0.5 -2,-0.7 -13,-0.4 -0.968 80.8 -46.4 174.7-156.6 55.3 46.3 40.4 53 54 A Y - 0 0 116 -2,-0.3 2,-0.4 -15,-0.1 -2,-0.0 -0.932 38.8-147.5-116.7 128.1 52.1 46.7 38.4 54 55 A M - 0 0 42 -2,-0.5 8,-1.4 7,-0.0 9,-1.2 -0.769 13.8-169.4 -94.8 134.0 50.5 50.1 37.7 55 56 A Y B -D 61 0B 144 -2,-0.4 6,-0.2 6,-0.2 2,-0.2 -0.886 9.1-144.3-118.7 150.2 46.7 50.3 37.4 56 57 A N > - 0 0 57 4,-1.4 3,-1.9 -2,-0.3 0, 0.0 -0.473 38.1 -88.3-105.5-179.9 44.6 53.3 36.2 57 58 A E T 3 S+ 0 0 207 1,-0.3 -1,-0.0 -2,-0.2 -2,-0.0 0.826 126.5 56.3 -57.4 -33.3 41.2 54.6 37.2 58 59 A K T 3 S- 0 0 192 2,-0.1 -1,-0.3 1,-0.1 -3,-0.0 0.533 119.2-110.7 -77.9 -5.5 39.5 52.3 34.8 59 60 A G < + 0 0 49 -3,-1.9 2,-0.3 1,-0.3 -2,-0.1 0.565 65.4 150.3 89.0 9.1 41.1 49.3 36.4 60 61 A E - 0 0 87 1,-0.1 2,-1.5 2,-0.0 -4,-1.4 -0.578 50.5-129.4 -77.6 134.4 43.4 48.5 33.5 61 62 A N B > -D 55 0B 16 -2,-0.3 4,-2.4 -6,-0.2 -6,-0.2 -0.701 28.6-175.9 -83.7 92.1 46.7 46.8 34.5 62 63 A L H > S+ 0 0 52 -2,-1.5 4,-2.3 -8,-1.4 -1,-0.2 0.805 78.4 55.7 -60.5 -33.7 48.9 49.2 32.4 63 64 A S H > S+ 0 0 0 -9,-1.2 4,-2.9 2,-0.2 -1,-0.2 0.916 109.6 46.3 -67.2 -41.9 52.1 47.3 33.3 64 65 A N H > S+ 0 0 24 -10,-0.3 4,-2.4 2,-0.2 5,-0.3 0.931 111.6 52.0 -65.1 -44.7 50.6 44.1 31.9 65 66 A T H X S+ 0 0 55 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.906 114.4 43.4 -57.0 -44.3 49.4 46.0 28.8 66 67 A L H X S+ 0 0 34 -4,-2.3 4,-3.2 2,-0.2 5,-0.5 0.923 112.2 51.3 -68.0 -47.4 52.9 47.4 28.2 67 68 A I H X>S+ 0 0 9 -4,-2.9 4,-1.6 1,-0.2 5,-1.3 0.857 114.7 44.3 -59.8 -36.5 54.7 44.1 28.9 68 69 A E H <>S+ 0 0 5 -4,-2.4 5,-4.4 3,-0.2 -1,-0.2 0.894 116.9 44.9 -76.2 -39.7 52.5 42.3 26.5 69 70 A K H <5S+ 0 0 118 -4,-2.1 -2,-0.2 -5,-0.3 -3,-0.2 0.899 125.9 29.8 -70.4 -42.5 52.7 45.0 23.8 70 71 A E H <5S+ 0 0 21 -4,-3.2 -3,-0.2 -5,-0.2 -2,-0.2 0.778 134.6 25.4 -89.7 -31.0 56.4 45.5 24.0 71 72 A I T <5S+ 0 0 27 -4,-1.6 4,-0.4 -5,-0.5 -3,-0.2 0.853 131.6 23.9-102.2 -44.3 57.7 42.1 25.1 72 73 A Y T >>> S+ 0 0 6 0, 0.0 3,-1.5 0, 0.0 4,-0.5 0.832 92.6 79.0 -62.3 -34.0 56.3 41.2 18.7 75 76 A A T <4 S+ 0 0 44 -3,-0.7 3,-0.2 -4,-0.4 4,-0.2 0.861 107.8 21.0 -40.8 -56.5 57.4 37.6 19.4 76 77 A G T 3X S+ 0 0 7 -4,-0.7 4,-2.1 -3,-0.5 -1,-0.3 0.103 89.6 106.3-108.7 24.4 54.9 35.9 17.0 77 78 A R H <> S+ 0 0 87 -3,-1.5 4,-1.6 347,-0.3 -1,-0.2 0.929 87.4 43.7 -65.9 -44.1 54.1 38.7 14.6 78 79 A E H X S+ 0 0 27 -4,-0.5 4,-2.3 -3,-0.2 -1,-0.2 0.872 111.5 54.0 -69.3 -37.6 56.2 37.2 11.9 79 80 A M H > S+ 0 0 3 -4,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.917 107.1 51.3 -62.1 -43.8 54.9 33.7 12.5 80 81 A W H X S+ 0 0 52 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.896 110.6 49.3 -59.5 -42.6 51.3 34.9 12.2 81 82 A Q H X S+ 0 0 42 -4,-1.6 4,-2.3 2,-0.2 -1,-0.2 0.894 107.9 53.1 -64.0 -43.1 52.2 36.5 8.8 82 83 A R H < S+ 0 0 44 -4,-2.3 4,-0.3 2,-0.2 -1,-0.2 0.877 110.3 48.2 -62.2 -37.3 53.9 33.4 7.6 83 84 A M H >< S+ 0 0 0 -4,-2.0 3,-1.4 1,-0.2 -2,-0.2 0.937 111.0 50.5 -67.7 -43.3 50.8 31.4 8.4 84 85 A E H 3< S+ 0 0 92 -4,-2.3 -2,-0.2 1,-0.3 4,-0.2 0.853 110.3 50.1 -62.5 -34.2 48.6 34.0 6.6 85 86 A Q T 3< S+ 0 0 135 -4,-2.3 -1,-0.3 -5,-0.1 -2,-0.2 0.463 96.5 93.1 -85.0 -0.6 50.9 33.9 3.5 86 87 A S S < S- 0 0 30 -3,-1.4 2,-1.6 -4,-0.3 -3,-0.0 -0.330 93.7 -93.3 -86.7 172.5 50.7 30.0 3.3 87 88 A H + 0 0 93 96,-0.1 46,-0.4 -2,-0.1 2,-0.2 -0.608 61.2 166.0 -88.3 78.9 48.3 27.9 1.3 88 89 A W - 0 0 59 -2,-1.6 2,-0.4 -4,-0.2 44,-0.2 -0.562 34.8-122.8 -93.7 158.3 45.6 27.4 4.0 89 90 A L E -E 131 0C 11 42,-2.1 42,-2.3 -2,-0.2 2,-0.4 -0.853 25.8-126.1-101.5 135.8 42.1 26.1 3.5 90 91 A L E +E 130 0C 31 -2,-0.4 2,-0.5 40,-0.2 40,-0.2 -0.685 25.6 178.7 -87.9 129.2 39.2 28.2 4.7 91 92 A D E +E 129 0C 4 38,-2.2 38,-2.8 -2,-0.4 2,-0.2 -0.920 61.2 5.7-127.6 100.5 36.5 26.8 7.0 92 93 A G S S- 0 0 28 -2,-0.5 36,-0.2 36,-0.2 2,-0.1 -0.679 107.3 -17.9 121.8-177.3 34.0 29.5 7.8 93 94 A K > - 0 0 116 29,-0.5 3,-1.9 34,-0.3 -2,-0.1 -0.390 50.2-134.7 -66.0 136.1 33.1 33.0 6.8 94 95 A K T 3 S+ 0 0 173 1,-0.3 -1,-0.1 -2,-0.1 34,-0.1 0.793 108.9 46.7 -60.6 -27.4 35.9 35.0 5.0 95 96 A D T 3 S+ 0 0 111 32,-0.1 -1,-0.3 30,-0.0 -2,-0.1 0.223 76.5 141.0-101.0 15.3 35.0 37.9 7.2 96 97 A A < - 0 0 5 -3,-1.9 30,-0.2 1,-0.2 32,-0.2 -0.386 50.8-139.8 -58.1 127.6 34.9 36.0 10.5 97 98 A P S S+ 0 0 109 0, 0.0 2,-0.6 0, 0.0 30,-0.2 0.789 84.9 65.1 -61.9 -30.6 36.5 38.3 13.1 98 99 A V E -f 127 0C 34 28,-2.3 30,-2.5 129,-0.1 2,-0.5 -0.864 69.8-163.4-102.1 119.7 38.4 35.5 14.9 99 100 A I E -f 128 0C 43 -2,-0.6 106,-0.5 28,-0.2 2,-0.4 -0.868 8.3-179.1-103.7 130.0 41.1 33.8 12.9 100 101 A V E -f 129 0C 0 28,-2.2 30,-3.1 -2,-0.5 2,-0.4 -0.994 11.4-155.1-129.8 127.0 42.4 30.4 14.0 101 102 A Y E -fG 130 203C 0 102,-2.7 102,-2.9 -2,-0.4 2,-0.4 -0.805 11.0-170.6-100.7 143.1 45.2 28.5 12.2 102 103 A V E -fG 131 202C 7 28,-2.2 30,-2.7 -2,-0.4 2,-0.7 -0.980 18.0-151.6-138.4 126.4 45.5 24.7 12.5 103 104 A F E +fG 132 201C 0 98,-2.7 98,-1.6 -2,-0.4 2,-0.3 -0.864 36.2 173.1 -92.0 118.0 48.2 22.4 11.3 104 105 A A E -f 133 0C 2 28,-1.3 30,-2.1 -2,-0.7 -2,-0.0 -0.947 29.1-149.8-133.4 154.7 46.5 19.1 10.7 105 106 A D - 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0 0 0 -2,-0.3 3,-0.3 28,-0.2 30,-0.1 -0.867 27.2-122.4-118.2 150.1 69.3 55.4 12.1 337 107 B P S S+ 0 0 1 0, 0.0 2,-1.1 0, 0.0 -1,-0.1 0.861 108.1 53.2 -62.0 -36.2 71.8 58.0 10.8 338 108 B F S S+ 0 0 73 31,-0.1 34,-0.1 4,-0.0 59,-0.0 -0.660 80.9 114.2-102.7 78.5 70.3 60.7 13.0 339 109 B a >> - 0 0 9 -2,-1.1 4,-1.6 -3,-0.3 3,-1.0 -0.761 44.7-168.0-150.7 97.5 70.5 59.0 16.4 340 110 B P H 3> S+ 0 0 86 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.889 93.3 52.6 -52.6 -43.2 72.7 60.3 19.2 341 111 B Y H 3> S+ 0 0 118 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.751 102.0 58.6 -68.2 -23.7 72.2 57.1 21.2 342 112 B a H <> S+ 0 0 4 -3,-1.0 4,-2.2 2,-0.2 -1,-0.2 0.935 109.8 44.6 -67.8 -43.4 73.2 54.9 18.3 343 113 B E H X S+ 0 0 33 -4,-1.6 4,-1.9 2,-0.2 -2,-0.2 0.865 112.8 50.9 -67.3 -37.0 76.5 56.7 18.2 344 114 B Q H X S+ 0 0 90 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.902 111.4 46.9 -69.0 -40.2 76.9 56.5 22.0 345 115 B F H X S+ 0 0 4 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.892 108.4 56.8 -66.6 -37.5 76.2 52.8 22.0 346 116 B W H X S+ 0 0 30 -4,-2.2 4,-0.7 1,-0.2 -2,-0.2 0.928 109.3 46.6 -57.1 -43.1 78.7 52.4 19.2 347 117 B Q H >< S+ 0 0 115 -4,-1.9 3,-1.0 1,-0.2 -2,-0.2 0.906 107.4 56.3 -65.4 -43.4 81.2 54.1 21.5 348 118 B Q H 3< S+ 0 0 47 -4,-2.2 4,-0.3 1,-0.2 -1,-0.2 0.844 105.8 52.6 -57.4 -37.1 80.3 51.9 24.5 349 119 B A H >X S+ 0 0 0 -4,-2.0 4,-2.5 1,-0.2 3,-1.1 0.666 79.9 95.4 -76.3 -17.6 81.0 48.8 22.4 350 120 B R H S+ 0 0 26 -3,-1.1 5,-1.6 -4,-0.3 6,-1.6 0.844 119.7 48.2 -81.5 -37.5 84.8 44.5 23.1 353 123 B V H ><5S+ 0 0 4 -4,-2.5 3,-1.3 1,-0.2 -29,-0.5 0.911 110.5 50.3 -70.9 -42.4 84.6 45.1 19.3 354 124 B D T 3<5S+ 0 0 120 -4,-3.1 -1,-0.2 -5,-0.3 -2,-0.2 0.475 109.4 53.3 -76.5 -0.5 88.2 46.2 19.0 355 125 B S T < 5S- 0 0 62 -3,-0.5 -1,-0.3 -5,-0.2 -2,-0.2 0.327 113.7-114.8-111.5 1.6 89.4 43.2 21.0 356 126 B G T < 5S+ 0 0 17 -3,-1.3 -3,-0.2 2,-0.2 -2,-0.1 0.523 87.9 111.0 78.6 6.4 87.6 40.7 18.7 357 127 B K S S- 0 0 123 1,-0.1 3,-1.8 0, 0.0 -1,-0.1 -0.839 79.9-105.2-124.3 161.6 64.3 62.2 10.5 370 140 B P T 3 S+ 0 0 131 0, 0.0 4,-0.3 0, 0.0 -1,-0.1 0.833 123.2 42.3 -51.8 -35.5 63.1 63.4 7.0 371 141 B E T 3> S+ 0 0 85 1,-0.2 4,-2.5 2,-0.1 5,-0.3 0.469 86.9 97.0 -93.4 -0.7 66.6 62.9 5.7 372 142 B S H <> S+ 0 0 0 -3,-1.8 4,-2.8 1,-0.2 5,-0.3 0.918 82.4 50.8 -54.2 -48.4 67.2 59.5 7.5 373 143 B P H > S+ 0 0 48 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.928 114.0 42.1 -56.8 -49.6 66.2 57.4 4.4 374 144 B A H > S+ 0 0 25 -4,-0.3 4,-2.5 2,-0.2 -2,-0.2 0.884 115.9 49.5 -66.9 -39.4 68.5 59.2 1.9 375 145 B T H X S+ 0 0 9 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.932 111.7 47.5 -66.8 -45.1 71.4 59.3 4.4 376 146 B A H X S+ 0 0 0 -4,-2.8 4,-2.0 -5,-0.3 -1,-0.2 0.913 114.1 49.2 -61.3 -40.7 71.1 55.6 5.2 377 147 B A H X S+ 0 0 2 -4,-2.1 4,-1.8 -5,-0.3 -2,-0.2 0.890 106.4 55.0 -64.7 -41.7 70.9 54.9 1.5 378 148 B A H X S+ 0 0 7 -4,-2.5 4,-1.1 1,-0.2 -1,-0.2 0.886 108.8 48.9 -59.6 -39.1 74.0 57.1 0.8 379 149 B I H >< S+ 0 0 0 -4,-2.0 3,-0.5 1,-0.2 -1,-0.2 0.917 112.0 47.8 -67.0 -42.7 75.9 55.0 3.3 380 150 B L H 3< S+ 0 0 21 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.759 110.4 54.6 -68.1 -24.8 74.7 51.8 1.7 381 151 B A H 3< S+ 0 0 45 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.704 86.8 104.8 -82.3 -21.5 75.7 53.2 -1.7 382 152 B S S << S- 0 0 32 -4,-1.1 4,-0.1 -3,-0.5 -3,-0.0 -0.052 86.1-107.3 -58.7 162.2 79.3 54.0 -0.8 383 153 B K S S+ 0 0 220 1,-0.3 -1,-0.1 2,-0.1 -4,-0.0 0.857 116.5 22.9 -59.5 -38.1 82.2 51.9 -2.0 384 154 B D S > S- 0 0 81 1,-0.1 4,-2.7 -5,-0.1 -1,-0.3 -0.748 72.7-178.9-132.2 83.5 82.7 50.4 1.5 385 155 B P H > S+ 0 0 28 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.876 82.0 51.3 -49.3 -48.5 79.4 50.7 3.4 386 156 B A H > S+ 0 0 25 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.915 112.9 45.3 -58.8 -45.5 80.7 49.1 6.6 387 157 B K H > S+ 0 0 122 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.900 112.6 51.3 -66.0 -41.0 83.7 51.4 6.7 388 158 B T H X S+ 0 0 17 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.880 109.1 50.9 -64.7 -36.4 81.5 54.4 5.9 389 159 B W H X S+ 0 0 5 -4,-2.5 4,-2.6 -5,-0.2 5,-0.2 0.897 108.6 52.0 -67.8 -39.1 79.1 53.5 8.7 390 160 B Q H X S+ 0 0 39 -4,-2.0 4,-2.7 1,-0.2 -2,-0.2 0.922 111.9 45.6 -62.0 -44.1 82.0 53.2 11.1 391 161 B Q H X S+ 0 0 87 -4,-2.3 4,-2.0 2,-0.2 6,-0.2 0.884 111.7 53.1 -66.4 -38.6 83.3 56.6 10.2 392 162 B Y H <>S+ 0 0 8 -4,-2.3 5,-2.9 2,-0.2 6,-0.3 0.951 114.6 39.9 -61.3 -49.9 79.8 58.0 10.4 393 163 B E H ><5S+ 0 0 6 -4,-2.6 3,-1.7 1,-0.2 -2,-0.2 0.935 115.2 51.9 -64.6 -47.3 79.2 56.7 14.0 394 164 B A H 3<5S+ 0 0 58 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.816 109.2 50.3 -60.0 -33.6 82.8 57.5 15.1 395 165 B S T ><5S- 0 0 45 -4,-2.0 3,-0.9 -5,-0.2 -1,-0.3 0.372 115.1-114.7 -87.5 5.2 82.4 61.1 13.9 396 166 B G T < 5S- 0 0 41 -3,-1.7 -3,-0.2 1,-0.2 -2,-0.1 0.814 74.9 -52.7 67.2 28.7 79.1 61.6 15.7 397 167 B G T 3 - 0 0 22 -2,-0.6 4,-2.4 1,-0.1 5,-0.2 -0.162 19.5-109.5 -65.4 164.0 68.0 53.0 -5.6 409 179 B T H > S+ 0 0 111 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.920 120.3 49.3 -60.6 -44.4 65.6 50.2 -5.8 410 180 B E H > S+ 0 0 133 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.925 112.0 48.0 -61.3 -46.2 68.0 47.8 -4.0 411 181 B Q H > S+ 0 0 31 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.872 108.9 53.4 -62.8 -39.1 68.6 50.4 -1.2 412 182 B M H X S+ 0 0 107 -4,-2.4 4,-2.9 1,-0.2 -1,-0.2 0.924 108.5 51.0 -62.5 -42.9 64.9 51.0 -0.8 413 183 B K H X S+ 0 0 131 -4,-2.1 4,-3.1 2,-0.2 5,-0.2 0.917 110.6 48.4 -60.2 -46.1 64.4 47.2 -0.4 414 184 B V H X S+ 0 0 24 -4,-2.1 4,-2.7 2,-0.2 5,-0.2 0.950 115.1 43.2 -60.3 -52.0 67.1 47.0 2.3 415 185 B L H X S+ 0 0 9 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.915 116.7 48.4 -60.7 -43.8 65.8 49.9 4.3 416 186 B S H X S+ 0 0 66 -4,-2.9 4,-2.0 -5,-0.2 -2,-0.2 0.920 113.1 46.3 -63.2 -46.9 62.2 48.7 3.9 417 187 B D H X S+ 0 0 66 -4,-3.1 4,-2.4 -5,-0.2 -2,-0.2 0.922 113.8 48.1 -62.9 -44.8 63.0 45.1 4.9 418 188 B N H X S+ 0 0 2 -4,-2.7 4,-2.2 -5,-0.2 -1,-0.2 0.867 111.0 52.7 -63.2 -36.6 65.1 46.2 7.9 419 189 B E H X S+ 0 0 45 -4,-2.2 4,-2.3 -5,-0.2 -1,-0.2 0.875 109.5 47.4 -67.3 -38.3 62.2 48.6 8.9 420 190 B K H X S+ 0 0 90 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.920 112.4 49.4 -68.5 -43.4 59.6 45.8 8.8 421 191 B L H X S+ 0 0 13 -4,-2.4 4,-1.4 2,-0.2 -2,-0.2 0.900 111.5 50.4 -61.0 -41.9 61.9 43.5 10.8 422 192 B M H <>S+ 0 0 2 -4,-2.2 5,-1.1 1,-0.2 3,-0.3 0.929 111.8 46.8 -62.5 -46.1 62.4 46.3 13.3 423 193 B D H ><5S+ 0 0 66 -4,-2.3 3,-1.8 1,-0.2 -2,-0.2 0.874 106.3 58.0 -65.1 -37.5 58.7 46.8 13.6 424 194 B D H 3<5S+ 0 0 11 -4,-2.7 -347,-0.3 1,-0.3 -1,-0.2 0.857 103.5 55.2 -59.9 -33.0 58.0 43.1 13.9 425 195 B L T 3<5S- 0 0 12 -4,-1.4 -1,-0.3 -3,-0.3 -2,-0.2 0.437 115.2-118.8 -81.3 0.4 60.3 43.3 17.0 426 196 B G T < 5S+ 0 0 9 -3,-1.8 2,-0.6 1,-0.1 -3,-0.2 0.401 75.0 111.8 82.9 -1.6 58.2 46.0 18.6 427 197 B A < + 0 0 1 -5,-1.1 -2,-0.1 1,-0.1 -1,-0.1 -0.921 32.3 176.0-113.0 119.2 60.6 48.9 18.9 428 198 B N + 0 0 110 -2,-0.6 2,-0.3 -5,-0.1 -1,-0.1 0.241 64.5 81.6 -98.8 12.2 60.1 52.0 16.7 429 199 B V S S- 0 0 86 2,-0.1 18,-0.1 18,-0.0 -95,-0.1 -0.899 80.8 -97.1-117.9 146.3 63.0 53.8 18.4 430 200 B T S S+ 0 0 8 -2,-0.3 -89,-0.2 1,-0.1 -88,-0.2 -0.851 95.3 43.6-113.6 150.3 66.8 53.4 17.6 431 201 B P + 0 0 0 0, 0.0 16,-2.4 0, 0.0 2,-0.6 0.524 68.1 177.8 -78.4 145.5 69.1 52.0 18.6 432 202 B A E -OP 334 446F 0 -98,-1.7 -98,-2.5 14,-0.2 2,-0.4 -0.961 15.4-162.2-114.3 107.7 67.1 48.7 18.9 433 203 B I E -OP 333 445F 0 12,-3.6 12,-2.0 -2,-0.6 2,-0.4 -0.784 9.6-171.4-100.3 134.6 69.6 46.1 20.1 434 204 B Y E +OP 332 444F 4 -102,-2.9 -102,-2.5 -2,-0.4 2,-0.3 -0.981 12.1 158.1-129.6 133.9 69.2 42.3 19.9 435 205 B Y E -OP 331 443F 13 8,-1.8 8,-3.3 -2,-0.4 2,-0.4 -0.942 37.3-106.8-145.4 164.1 71.3 39.6 21.3 436 206 B M E - P 0 442F 52 -106,-0.5 6,-0.2 -2,-0.3 2,-0.1 -0.784 27.8-133.8-100.8 139.5 70.9 35.9 22.3 437 207 B S > - 0 0 16 4,-2.9 3,-2.5 -2,-0.4 -1,-0.0 -0.427 28.3-109.5 -83.3 163.5 70.7 34.7 25.9 438 208 B K T 3 S+ 0 0 187 1,-0.3 -1,-0.1 2,-0.2 -2,-0.0 0.717 123.9 61.7 -64.3 -18.1 72.7 31.7 27.1 439 209 B E T 3 S- 0 0 101 2,-0.2 -1,-0.3 -140,-0.0 3,-0.1 0.330 122.2-111.7 -88.2 5.4 69.2 30.1 27.3 440 210 B N S < S+ 0 0 97 -3,-2.5 2,-0.4 1,-0.3 -2,-0.2 0.840 75.1 133.6 66.6 34.5 69.0 30.6 23.5 441 211 B T - 0 0 5 -134,-0.1 -4,-2.9 -133,-0.0 2,-0.4 -0.913 62.1-108.2-116.7 145.1 66.3 33.2 23.8 442 212 B L E -P 436 0F 33 -2,-0.4 2,-0.3 -139,-0.3 -6,-0.2 -0.583 36.1-167.0 -75.3 123.0 66.2 36.6 22.0 443 213 B Q E -P 435 0F 23 -8,-3.3 -8,-1.8 -2,-0.4 2,-0.3 -0.784 2.8-152.7-109.7 154.8 66.8 39.5 24.3 444 214 B Q E -P 434 0F 20 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.929 14.7-178.7-130.9 151.2 66.2 43.2 23.5 445 215 B A E -P 433 0F 2 -12,-2.0 -12,-3.6 -2,-0.3 2,-0.4 -0.978 10.0-166.4-145.8 133.6 67.6 46.6 24.6 446 216 B V E -P 432 0F 15 -429,-2.5 -427,-0.3 -2,-0.3 -14,-0.2 -0.987 55.1 -2.3-127.7 134.1 66.4 50.0 23.3 447 217 B G S S- 0 0 11 -16,-2.4 -14,-0.1 -2,-0.4 -2,-0.0 -0.514 117.1 -14.4 87.9-159.6 68.1 53.3 23.7 448 218 B L S S- 0 0 65 -2,-0.2 -2,-0.1 1,-0.0 -106,-0.1 -0.708 73.3-133.8 -85.0 112.5 71.3 53.8 25.6 449 219 B P - 0 0 11 0, 0.0 -432,-0.1 0, 0.0 -2,-0.1 -0.300 14.8-129.3 -63.4 142.5 72.1 50.7 27.7 450 220 B D > - 0 0 25 -434,-0.1 4,-2.6 1,-0.1 5,-0.2 -0.240 40.9 -84.3 -80.4-178.7 73.2 51.2 31.3 451 221 B Q H > S+ 0 0 95 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.885 127.3 45.2 -56.8 -44.9 76.3 49.5 32.6 452 222 B K H > S+ 0 0 48 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.955 114.7 46.6 -66.0 -49.8 74.7 46.2 33.5 453 223 B T H > S+ 0 0 3 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.913 112.3 52.2 -58.8 -42.6 72.7 45.9 30.3 454 224 B L H X S+ 0 0 7 -4,-2.6 4,-2.7 1,-0.2 6,-0.3 0.937 108.7 49.0 -58.4 -50.4 75.8 46.8 28.2 455 225 B N H <>S+ 0 0 43 -4,-2.1 5,-2.5 -5,-0.2 -1,-0.2 0.885 113.3 47.6 -57.5 -41.3 77.9 44.1 29.9 456 226 B I H ><5S+ 0 0 60 -4,-2.1 3,-1.8 3,-0.2 -1,-0.2 0.928 110.6 50.6 -67.7 -45.1 75.2 41.5 29.3 457 227 B I H 3<5S+ 0 0 2 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.925 109.6 52.2 -56.9 -44.3 74.8 42.5 25.7 458 228 B M T 3<5S- 0 0 3 -4,-2.7 -1,-0.3 -5,-0.2 -2,-0.2 0.402 115.5-117.3 -74.2 3.4 78.5 42.2 25.2 459 229 B G T < 5 0 0 53 -3,-1.8 -3,-0.2 1,-0.2 -2,-0.1 0.641 360.0 360.0 69.0 11.8 78.5 38.7 26.7 460 230 B N < 0 0 115 -5,-2.5 -1,-0.2 -6,-0.3 -108,-0.0 -0.306 360.0 360.0 -81.3 360.0 80.7 40.2 29.5