==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 25-JUN-08 3DKS . COMPND 2 MOLECULE: THIOL:DISULFIDE INTERCHANGE PROTEIN DSBA; . SOURCE 2 ORGANISM_SCIENTIFIC: SHIGELLA FLEXNERI; . AUTHOR J.J.PAXMAN,N.A.BORG,J.HORNE,J.ROSSJOHN,P.E.THOMPSON,S.PIEK, . 762 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35601.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 543 71.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 32 4.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 48 6.3 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 . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.5 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 . 27 3.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 66 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 317 41.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 33 4.3 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 1 10 1 4 0 0 4 0 0 8 4 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 4 4 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 A A 0 0 117 0, 0.0 2,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 159.6 1.3 -4.5 -31.6 2 2 A Q - 0 0 164 2,-0.0 2,-0.5 1,-0.0 0, 0.0 -0.716 360.0-160.5 -79.9 125.1 0.5 -2.3 -28.6 3 3 A Y - 0 0 36 -2,-0.5 2,-0.4 4,-0.1 -1,-0.0 -0.943 8.1-172.3-113.4 121.4 3.1 -2.9 -25.9 4 4 A E >>> - 0 0 45 -2,-0.5 3,-1.7 5,-0.0 5,-0.8 -0.942 27.6-119.9-118.8 132.6 2.3 -1.8 -22.3 5 5 A D B 345S+a 9 0A 100 -2,-0.4 5,-0.2 1,-0.3 -2,-0.0 -0.536 107.2 26.7 -63.8 124.7 4.5 -1.8 -19.3 6 6 A G T 345S+ 0 0 47 3,-3.3 -1,-0.3 -2,-0.3 4,-0.1 0.028 118.7 65.5 101.7 -25.3 2.9 -4.1 -16.7 7 7 A K T <45S+ 0 0 32 -3,-1.7 158,-0.4 2,-0.1 -2,-0.1 0.825 118.3 5.0 -88.2 -91.4 1.2 -6.1 -19.5 8 8 A Q T <5S+ 0 0 19 -4,-0.7 154,-2.7 157,-0.1 2,-0.3 0.650 138.1 9.2 -71.8 -17.8 3.7 -8.0 -21.8 9 9 A Y E < -aB 5 161A 21 -5,-0.8 -3,-3.3 152,-0.3 2,-0.3 -0.948 64.7-135.9-151.0 168.3 6.7 -7.0 -19.6 10 10 A T E - B 0 160A 45 150,-2.7 150,-2.8 -2,-0.3 2,-0.6 -0.922 22.4-124.1-126.6 158.1 7.7 -5.3 -16.3 11 11 A T E - B 0 159A 51 -2,-0.3 148,-0.2 148,-0.2 195,-0.1 -0.905 25.8-121.3-109.0 119.9 10.4 -2.7 -15.7 12 12 A L - 0 0 20 146,-2.1 133,-0.0 -2,-0.6 4,-0.0 -0.322 8.5-153.9 -58.3 133.2 13.1 -3.4 -13.1 13 13 A E S S+ 0 0 166 1,-0.3 193,-0.4 193,-0.1 -1,-0.2 0.750 97.5 42.7 -75.0 -27.6 13.2 -0.9 -10.3 14 14 A K S S- 0 0 150 191,-0.1 -1,-0.3 131,-0.1 191,-0.1 -0.743 87.2-162.8-119.7 81.0 16.9 -1.9 -10.0 15 15 A P - 0 0 7 0, 0.0 2,-0.4 0, 0.0 143,-0.2 -0.189 13.4-128.4 -62.1 158.6 18.3 -2.2 -13.5 16 16 A V > - 0 0 19 141,-2.5 3,-0.5 187,-0.1 2,-0.3 -0.931 10.6-144.6-113.4 129.5 21.6 -4.2 -14.0 17 17 A A T 3 S+ 0 0 29 -2,-0.4 140,-0.1 1,-0.2 183,-0.0 -0.749 84.2 19.9 -88.4 140.5 24.6 -2.8 -15.9 18 18 A G T 3 S+ 0 0 70 -2,-0.3 -1,-0.2 1,-0.2 139,-0.1 0.561 87.1 145.9 80.1 9.6 26.7 -5.3 -18.0 19 19 A A < - 0 0 29 -3,-0.5 -1,-0.2 1,-0.1 137,-0.0 -0.412 60.0 -87.4 -73.2 151.8 23.9 -7.9 -18.2 20 20 A P - 0 0 29 0, 0.0 137,-0.5 0, 0.0 136,-0.3 -0.270 37.8-115.7 -54.4 147.9 23.5 -10.0 -21.3 21 21 A Q S S+ 0 0 79 1,-0.3 135,-3.0 135,-0.2 2,-0.4 0.886 106.4 14.7 -51.6 -48.3 21.3 -8.4 -24.0 22 22 A V E S-cD 56 155A 0 33,-0.7 35,-3.0 133,-0.2 2,-0.5 -0.949 81.2-172.3-134.0 112.5 18.7 -11.2 -23.7 23 23 A L E -cD 57 154A 6 131,-3.2 131,-3.2 -2,-0.4 2,-0.4 -0.929 3.2-174.5-118.7 117.2 19.0 -13.3 -20.6 24 24 A E E -cD 58 153A 9 33,-2.8 35,-2.8 -2,-0.5 2,-0.4 -0.879 6.5-159.7-109.3 138.4 16.9 -16.4 -20.0 25 25 A F E +cD 59 152A 0 127,-2.9 127,-1.5 -2,-0.4 2,-0.3 -0.943 20.1 158.0-117.4 142.3 16.9 -18.5 -16.8 26 26 A F E -c 60 0A 6 33,-1.9 35,-2.1 -2,-0.4 2,-0.3 -0.934 29.3-141.7-149.1 169.5 15.8 -22.1 -16.5 27 27 A S > - 0 0 0 -2,-0.3 3,-0.8 33,-0.2 6,-0.1 -0.992 18.4-139.3-134.2 141.8 16.0 -25.4 -14.5 28 28 A F T 3 S+ 0 0 0 -2,-0.3 69,-0.2 1,-0.2 68,-0.1 0.648 107.5 56.8 -68.9 -15.2 16.0 -28.9 -15.9 29 29 A F T 3 S+ 0 0 2 35,-0.1 -1,-0.2 67,-0.1 36,-0.1 0.656 84.5 100.2 -83.5 -21.3 13.7 -29.8 -13.0 30 30 A C <> - 0 0 13 -3,-0.8 4,-2.2 1,-0.1 -3,-0.1 -0.552 58.5-157.5 -81.3 122.3 11.0 -27.2 -13.9 31 31 A P H > S+ 0 0 8 0, 0.0 4,-2.0 0, 0.0 -1,-0.1 0.826 96.5 49.9 -65.9 -32.7 8.0 -28.5 -15.8 32 32 A H H > S+ 0 0 23 2,-0.2 4,-2.9 1,-0.2 5,-0.1 0.848 108.5 52.5 -77.4 -32.8 7.1 -25.1 -17.2 33 33 A C H > S+ 0 0 3 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.907 109.0 51.4 -58.8 -42.8 10.8 -24.7 -18.4 34 34 A Y H X>S+ 0 0 19 -4,-2.2 4,-2.9 2,-0.2 5,-0.8 0.930 110.8 48.0 -57.6 -46.2 10.2 -28.1 -20.0 35 35 A Q H X>S+ 0 0 15 -4,-2.0 5,-3.1 1,-0.2 4,-1.1 0.926 111.3 50.4 -60.9 -49.2 7.1 -26.7 -21.7 36 36 A F H <>S+ 0 0 5 -4,-2.9 6,-2.6 3,-0.2 5,-0.6 0.916 124.4 27.7 -52.9 -47.1 8.9 -23.6 -22.8 37 37 A E H <5S+ 0 0 23 -4,-2.6 -2,-0.2 4,-0.2 -3,-0.2 0.942 128.6 32.2 -88.0 -53.3 11.8 -25.6 -24.4 38 38 A E H <5S+ 0 0 30 -4,-2.9 -3,-0.2 -5,-0.3 -2,-0.1 0.756 133.1 23.3 -82.9 -23.4 10.6 -29.0 -25.5 39 39 A V T << + 0 0 85 -5,-0.6 4,-2.4 -6,-0.4 -4,-0.2 0.919 32.1 169.9 57.8 47.9 10.3 -23.8 -28.4 42 42 A I H > S+ 0 0 1 -6,-2.6 4,-2.3 1,-0.2 5,-0.2 0.922 70.0 48.9 -57.1 -50.8 10.3 -20.3 -26.8 43 43 A S H > S+ 0 0 13 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.924 112.8 46.9 -56.7 -51.2 14.1 -19.7 -27.2 44 44 A D H > S+ 0 0 68 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.890 113.9 48.5 -58.5 -43.3 14.2 -20.7 -30.9 45 45 A N H X S+ 0 0 36 -4,-2.4 4,-0.7 2,-0.2 -1,-0.2 0.824 111.6 49.3 -68.8 -32.1 11.1 -18.6 -31.7 46 46 A V H >X S+ 0 0 0 -4,-2.3 3,-0.8 -5,-0.2 4,-0.6 0.917 109.2 52.6 -68.3 -44.9 12.6 -15.6 -29.9 47 47 A K H >< S+ 0 0 143 -4,-2.6 3,-1.1 1,-0.2 -2,-0.2 0.873 102.2 60.2 -57.6 -41.2 15.9 -16.0 -31.8 48 48 A K H 3< S+ 0 0 157 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.798 107.4 45.0 -57.1 -33.7 14.0 -16.0 -35.1 49 49 A K H << S+ 0 0 37 -3,-0.8 -1,-0.3 -4,-0.7 -2,-0.2 0.468 99.2 84.9 -95.3 -3.8 12.7 -12.5 -34.5 50 50 A L S << S- 0 0 17 -3,-1.1 2,-0.1 -4,-0.6 133,-0.1 -0.726 87.1-108.3 -95.8 145.6 15.9 -10.9 -33.3 51 51 A P > - 0 0 67 0, 0.0 3,-2.2 0, 0.0 -2,-0.1 -0.490 36.3-117.5 -59.4 145.9 18.6 -9.4 -35.5 52 52 A E T 3 S+ 0 0 190 1,-0.3 -2,-0.0 -2,-0.1 -3,-0.0 0.674 112.4 70.8 -69.8 -11.5 21.5 -11.9 -35.3 53 53 A G T 3 S+ 0 0 57 1,-0.1 2,-0.8 2,-0.1 -1,-0.3 0.604 82.6 82.1 -71.6 -14.2 23.6 -9.1 -33.7 54 54 A V S < S- 0 0 27 -3,-2.2 2,-0.2 -7,-0.1 -4,-0.1 -0.858 79.3-148.4 -95.8 108.1 21.4 -9.5 -30.6 55 55 A K - 0 0 50 -2,-0.8 -33,-0.7 1,-0.0 2,-0.4 -0.519 1.3-144.2 -79.7 143.0 22.8 -12.4 -28.6 56 56 A M E -c 22 0A 55 -2,-0.2 2,-0.4 -35,-0.1 -33,-0.2 -0.919 14.7-166.3-107.5 133.7 20.7 -14.7 -26.5 57 57 A T E -c 23 0A 38 -35,-3.0 -33,-2.8 -2,-0.4 2,-0.4 -0.942 2.9-166.5-121.4 140.2 22.1 -16.1 -23.2 58 58 A K E -c 24 0A 35 -2,-0.4 2,-0.4 -35,-0.2 -33,-0.2 -0.989 5.8-174.8-133.5 125.7 20.7 -18.9 -21.2 59 59 A Y E -c 25 0A 11 -35,-2.8 -33,-1.9 -2,-0.4 2,-0.2 -0.916 19.6-131.1-120.5 144.9 21.7 -19.8 -17.6 60 60 A H E -c 26 0A 2 -2,-0.4 2,-0.3 -35,-0.2 -33,-0.2 -0.609 21.2-138.5 -87.7 151.6 20.7 -22.7 -15.3 61 61 A V - 0 0 4 -35,-2.1 -33,-0.2 -2,-0.2 3,-0.2 -0.803 7.1-155.3-109.0 153.4 19.5 -22.0 -11.8 62 62 A N S S+ 0 0 44 -2,-0.3 8,-0.2 1,-0.1 7,-0.2 0.478 71.1 94.7-106.3 1.0 20.5 -24.0 -8.7 63 63 A F S S+ 0 0 65 6,-0.1 2,-0.3 2,-0.1 -1,-0.1 0.149 78.0 70.1 -82.1 25.9 17.5 -23.3 -6.4 64 64 A M S S+ 0 0 7 2,-0.2 -36,-0.1 -3,-0.2 -35,-0.1 -0.990 101.4 11.0-144.2 126.5 15.7 -26.5 -7.5 65 65 A G S >> S- 0 0 18 -2,-0.3 3,-1.3 4,-0.1 4,-0.7 0.647 92.9-119.9 80.8 18.6 16.7 -30.1 -6.7 66 66 A G H >> S- 0 0 34 1,-0.2 4,-1.5 2,-0.2 3,-1.0 -0.157 84.0 -3.5 52.4-136.6 19.4 -29.3 -4.0 67 67 A D H 3> S+ 0 0 71 1,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.780 134.8 57.2 -59.3 -31.0 22.9 -30.6 -4.8 68 68 A L H <> S+ 0 0 0 -3,-1.3 4,-2.0 664,-1.2 -1,-0.3 0.826 103.6 54.4 -66.5 -33.1 21.8 -32.2 -8.0 69 69 A G H S+ 0 0 0 -4,-2.7 5,-2.3 2,-0.2 4,-0.8 0.894 114.3 43.4 -54.3 -43.9 27.7 -27.3 -22.2 80 80 A M H <5S+ 0 0 39 -4,-2.5 3,-0.5 3,-0.2 -2,-0.2 0.934 113.7 50.8 -68.9 -46.3 28.3 -23.6 -22.6 81 81 A A H <5S+ 0 0 42 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.854 119.6 36.2 -58.8 -39.0 32.1 -23.9 -22.4 82 82 A L H <5S- 0 0 58 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.498 108.1-122.4 -95.0 -7.5 32.1 -26.7 -25.0 83 83 A G T <5S+ 0 0 54 -4,-0.8 -3,-0.2 -3,-0.5 3,-0.2 0.814 74.5 122.9 70.9 34.4 29.3 -25.2 -27.2 84 84 A V >>< + 0 0 12 -5,-2.3 3,-1.7 -6,-0.2 4,-1.4 0.094 21.1 119.5-116.2 22.0 27.1 -28.3 -27.0 85 85 A E H 3> S+ 0 0 58 -6,-0.6 4,-1.8 1,-0.3 3,-0.3 0.871 76.6 54.7 -52.4 -42.2 23.9 -26.8 -25.5 86 86 A D H 34 S+ 0 0 153 1,-0.2 -1,-0.3 -3,-0.2 4,-0.2 0.599 109.8 48.2 -72.5 -11.4 21.9 -27.8 -28.6 87 87 A K H <4 S+ 0 0 125 -3,-1.7 -1,-0.2 -8,-0.1 -2,-0.2 0.743 119.6 33.0 -93.9 -28.7 23.1 -31.4 -28.2 88 88 A V H X S+ 0 0 0 -4,-1.4 4,-2.0 -3,-0.3 5,-0.2 0.600 94.4 82.4-109.4 -15.9 22.3 -31.9 -24.5 89 89 A T H X S+ 0 0 8 -4,-1.8 4,-2.4 -5,-0.2 5,-0.2 0.931 96.1 43.3 -60.7 -50.2 19.2 -29.8 -23.8 90 90 A V H > S+ 0 0 76 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.966 115.8 45.4 -63.8 -55.6 16.7 -32.4 -25.0 91 91 A P H > S+ 0 0 50 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.826 113.4 52.4 -61.5 -27.1 18.2 -35.5 -23.4 92 92 A L H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 5,-0.3 0.943 112.3 43.3 -70.4 -47.7 18.7 -33.6 -20.1 93 93 A F H X>S+ 0 0 2 -4,-2.4 4,-2.3 -5,-0.2 5,-0.5 0.940 118.5 45.5 -59.9 -47.0 15.1 -32.5 -19.9 94 94 A E H X>S+ 0 0 60 -4,-2.8 5,-2.4 1,-0.2 4,-2.0 0.925 113.8 50.1 -61.5 -44.5 13.9 -36.0 -20.9 95 95 A G H <5S+ 0 0 3 -4,-2.4 7,-2.2 -5,-0.3 6,-1.3 0.856 116.4 38.9 -64.1 -40.0 16.3 -37.7 -18.5 96 96 A V H <5S+ 0 0 0 -4,-2.3 -2,-0.2 4,-0.2 -1,-0.2 0.944 132.7 18.6 -74.9 -47.8 15.3 -35.6 -15.5 97 97 A Q H <5S+ 0 0 12 -4,-2.3 -3,-0.2 -5,-0.3 -2,-0.2 0.720 128.9 29.6-105.2 -27.4 11.6 -35.3 -16.0 98 98 A K T <> S- 0 0 17 630,-0.2 4,-1.2 -3,-0.2 3,-0.8 -0.956 87.5 -81.9-163.8 172.7 22.9 -38.0 -10.1 105 105 A A H 3> S+ 0 0 28 628,-0.3 4,-2.3 -2,-0.3 5,-0.1 0.830 120.4 60.8 -58.7 -35.8 25.9 -36.3 -11.7 106 106 A S H 3> S+ 0 0 79 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.843 103.0 51.8 -61.3 -34.6 27.2 -39.6 -13.3 107 107 A D H <> S+ 0 0 54 -3,-0.8 4,-1.3 2,-0.2 -1,-0.2 0.846 107.5 52.0 -68.9 -34.5 23.9 -39.9 -15.3 108 108 A I H >X S+ 0 0 0 -4,-1.2 4,-1.6 1,-0.2 3,-0.5 0.951 107.7 53.4 -63.1 -48.8 24.4 -36.3 -16.6 109 109 A R H 3X S+ 0 0 82 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.867 104.4 54.5 -50.5 -44.8 27.9 -37.3 -17.7 110 110 A D H 3X S+ 0 0 84 -4,-1.7 4,-2.5 1,-0.2 -1,-0.2 0.851 103.1 56.6 -63.0 -34.3 26.5 -40.2 -19.6 111 111 A V H S+ 0 0 0 -4,-1.6 5,-2.8 2,-0.2 4,-0.4 0.883 110.9 52.2 -64.2 -40.3 27.2 -35.8 -22.7 113 113 A I H ><5S+ 0 0 57 -4,-2.1 3,-1.2 1,-0.2 -2,-0.2 0.925 110.8 47.0 -60.9 -44.3 29.1 -39.0 -23.7 114 114 A N H 3<5S+ 0 0 122 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.719 107.0 58.6 -70.9 -21.9 26.1 -40.2 -25.8 115 115 A A T 3<5S- 0 0 28 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.510 130.5 -92.3 -82.7 -7.2 25.9 -36.7 -27.3 116 116 A G T < 5S+ 0 0 57 -3,-1.2 2,-0.8 -4,-0.4 -3,-0.2 0.423 87.2 126.0 113.3 1.3 29.5 -37.0 -28.6 117 117 A I < - 0 0 4 -5,-2.8 -1,-0.2 -6,-0.1 -2,-0.2 -0.828 60.2-128.1 -95.8 106.3 31.5 -35.5 -25.8 118 118 A K > - 0 0 153 -2,-0.8 4,-2.7 1,-0.1 3,-0.2 -0.120 17.4-114.9 -54.3 147.9 34.1 -38.0 -24.7 119 119 A G H > S+ 0 0 16 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.864 116.2 47.6 -50.5 -46.2 34.4 -38.9 -21.0 120 120 A E H > S+ 0 0 82 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.850 112.3 50.5 -68.2 -33.7 37.9 -37.4 -20.6 121 121 A E H > S+ 0 0 86 -3,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.887 111.3 48.1 -70.2 -42.4 36.8 -34.2 -22.4 122 122 A Y H X S+ 0 0 5 -4,-2.7 4,-3.3 2,-0.2 -2,-0.2 0.928 112.8 48.2 -59.8 -46.5 33.8 -33.9 -20.2 123 123 A D H X S+ 0 0 60 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.906 109.7 52.1 -66.7 -41.3 35.9 -34.4 -17.0 124 124 A A H < S+ 0 0 64 -4,-2.2 4,-0.4 2,-0.2 3,-0.3 0.965 114.5 43.1 -53.6 -55.9 38.5 -31.9 -18.2 125 125 A A H >< S+ 0 0 9 -4,-2.2 3,-1.9 1,-0.2 6,-0.4 0.936 109.5 57.2 -57.1 -50.6 35.8 -29.3 -18.7 126 126 A W H 3< S+ 0 0 43 -4,-3.3 -1,-0.2 1,-0.3 -2,-0.2 0.855 114.8 38.2 -47.4 -43.8 33.9 -30.2 -15.5 127 127 A N T 3< S+ 0 0 127 -4,-2.1 -1,-0.3 -3,-0.3 -2,-0.2 0.365 95.0 115.7 -92.8 3.6 37.1 -29.4 -13.5 128 128 A S S <> S- 0 0 36 -3,-1.9 4,-1.9 -4,-0.4 5,-0.1 -0.355 70.8-128.1 -76.1 151.7 38.3 -26.4 -15.5 129 129 A F H > S+ 0 0 194 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.841 110.6 60.8 -59.2 -38.3 38.6 -22.8 -14.3 130 130 A V H > S+ 0 0 92 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.920 107.4 44.2 -58.0 -42.2 36.5 -21.7 -17.3 131 131 A V H > S+ 0 0 0 -6,-0.4 4,-2.4 2,-0.2 -2,-0.2 0.890 110.5 53.5 -72.2 -39.3 33.6 -23.9 -16.0 132 132 A K H X S+ 0 0 59 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.890 110.9 48.8 -58.1 -40.4 34.1 -22.7 -12.4 133 133 A S H X S+ 0 0 69 -4,-2.5 4,-2.8 2,-0.2 -2,-0.2 0.924 109.4 51.2 -65.6 -45.1 33.8 -19.1 -13.7 134 134 A L H X S+ 0 0 31 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.855 108.5 52.2 -60.7 -39.9 30.7 -19.9 -15.7 135 135 A V H X S+ 0 0 23 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.965 112.7 44.5 -57.1 -53.8 29.0 -21.4 -12.6 136 136 A A H X S+ 0 0 54 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.876 111.5 54.6 -59.9 -38.1 29.8 -18.3 -10.6 137 137 A Q H X S+ 0 0 91 -4,-2.8 4,-2.3 2,-0.2 -1,-0.2 0.908 109.1 47.3 -60.0 -45.9 28.6 -16.2 -13.6 138 138 A Q H X S+ 0 0 2 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.904 114.5 46.7 -62.9 -44.4 25.2 -18.0 -13.6 139 139 A E H X S+ 0 0 86 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.898 112.6 49.3 -62.0 -46.0 24.8 -17.6 -9.9 140 140 A K H X S+ 0 0 126 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.906 108.9 52.2 -62.6 -45.4 25.8 -13.9 -9.9 141 141 A A H X S+ 0 0 13 -4,-2.3 4,-1.0 2,-0.2 -1,-0.2 0.911 110.3 48.3 -58.5 -46.4 23.3 -13.1 -12.8 142 142 A A H ><>S+ 0 0 16 -4,-1.8 5,-2.4 1,-0.2 3,-0.7 0.927 113.4 47.4 -58.1 -46.6 20.5 -14.7 -10.9 143 143 A A H ><5S+ 0 0 70 -4,-2.2 3,-1.4 1,-0.2 -2,-0.2 0.871 105.1 60.4 -64.9 -36.4 21.4 -12.8 -7.7 144 144 A D H 3<5S+ 0 0 53 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.722 111.9 38.6 -66.0 -23.2 21.7 -9.5 -9.6 145 145 A V T <<5S- 0 0 14 -4,-1.0 -1,-0.3 -3,-0.7 -2,-0.2 0.198 111.8-119.3-108.7 12.9 18.0 -9.7 -10.7 146 146 A Q T < 5 - 0 0 108 -3,-1.4 -3,-0.2 1,-0.2 2,-0.2 0.890 41.7-160.6 50.7 49.4 16.8 -11.1 -7.3 147 147 A L < + 0 0 25 -5,-2.4 -1,-0.2 1,-0.1 3,-0.1 -0.399 29.9 164.0 -71.7 131.2 15.6 -14.3 -9.0 148 148 A R + 0 0 188 1,-0.3 617,-2.1 -2,-0.2 618,-0.3 0.492 62.5 8.9-120.0 -15.8 13.0 -16.4 -7.2 149 149 A G S S- 0 0 4 615,-0.3 -1,-0.3 616,-0.1 -124,-0.1 -0.988 72.8 -81.6-160.4 170.0 11.6 -18.7 -9.9 150 150 A V S S+ 0 0 11 -2,-0.3 -118,-0.1 613,-0.3 -124,-0.1 -0.857 81.8 43.5-133.0 163.5 11.8 -19.9 -13.5 151 151 A P S S+ 0 0 12 0, 0.0 2,-0.3 0, 0.0 -125,-0.2 0.663 75.5 152.8 -69.5 152.5 11.3 -19.7 -16.4 152 152 A A E -D 25 0A 4 -127,-1.5 -127,-2.9 -2,-0.1 2,-0.4 -0.986 25.7-163.8-146.8 149.6 12.3 -16.0 -16.6 153 153 A M E -D 24 0A 1 -2,-0.3 8,-2.8 8,-0.3 2,-0.3 -0.995 3.4-169.5-139.2 132.8 13.7 -13.7 -19.3 154 154 A F E -DE 23 160A 4 -131,-3.2 -131,-3.2 -2,-0.4 2,-0.5 -0.907 9.3-150.3-120.3 143.6 15.3 -10.3 -19.0 155 155 A V E >> S-DE 22 159A 0 4,-2.1 3,-2.5 -2,-0.3 4,-1.8 -0.976 74.9 -19.7-118.7 127.3 16.2 -7.8 -21.7 156 156 A N T 34 S- 0 0 42 -135,-3.0 -135,-0.2 -2,-0.5 -137,-0.1 0.712 108.7 -77.9 55.3 27.1 19.1 -5.4 -21.5 157 157 A G T 34 S+ 0 0 2 -137,-0.5 -141,-2.5 2,-0.2 -1,-0.3 0.650 127.4 82.8 55.8 19.3 19.2 -5.8 -17.7 158 158 A K T <4 S+ 0 0 21 -3,-2.5 -146,-2.1 1,-0.2 2,-0.3 0.695 82.7 40.6-121.8 -33.5 16.2 -3.4 -17.7 159 159 A Y E < -BE 11 155A 44 -4,-1.8 -4,-2.1 -148,-0.2 2,-0.4 -0.906 57.1-150.3-126.3 149.3 13.0 -5.3 -18.4 160 160 A Q E -BE 10 154A 43 -150,-2.8 -150,-2.7 -2,-0.3 -6,-0.2 -0.985 28.5-116.1-119.3 133.6 11.5 -8.7 -17.4 161 161 A L E -B 9 0A 6 -8,-2.8 -152,-0.3 -2,-0.4 -8,-0.3 -0.347 21.3-155.3 -64.2 143.6 9.1 -10.6 -19.7 162 162 A N > + 0 0 18 -154,-2.7 3,-1.6 1,-0.1 -1,-0.1 -0.750 19.3 172.0-125.6 78.7 5.6 -11.0 -18.3 163 163 A P G > S+ 0 0 31 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 0.801 77.4 66.7 -58.6 -29.2 4.0 -14.1 -19.9 164 164 A Q G 3 S+ 0 0 169 1,-0.3 4,-0.1 -3,-0.1 -156,-0.1 0.755 97.2 55.3 -63.1 -24.9 1.0 -13.8 -17.5 165 165 A G G < S+ 0 0 34 -3,-1.6 -1,-0.3 -158,-0.4 2,-0.2 0.271 98.4 84.5 -90.8 10.6 0.1 -10.5 -19.3 166 166 A M S < S- 0 0 12 -3,-1.8 2,-0.7 -159,-0.1 8,-0.1 -0.655 95.1 -84.4-111.6 167.3 -0.0 -12.2 -22.7 167 167 A D + 0 0 47 -2,-0.2 10,-0.2 1,-0.1 3,-0.1 -0.605 45.9 171.8 -76.6 110.6 -2.7 -14.1 -24.5 168 168 A T + 0 0 34 -2,-0.7 -1,-0.1 1,-0.2 3,-0.1 0.170 56.0 85.6-109.8 15.4 -2.5 -17.7 -23.3 169 169 A S S S+ 0 0 120 1,-0.2 2,-0.5 2,-0.0 -1,-0.2 0.861 94.7 41.0 -81.4 -40.5 -5.6 -19.2 -24.9 170 170 A N S > S- 0 0 86 -3,-0.1 4,-2.4 1,-0.1 -1,-0.2 -0.958 70.8-159.0-112.1 121.6 -3.8 -20.0 -28.2 171 171 A M H > S+ 0 0 64 -2,-0.5 4,-2.3 2,-0.2 5,-0.2 0.837 93.4 52.9 -72.0 -35.3 -0.3 -21.4 -27.8 172 172 A D H > S+ 0 0 130 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.882 113.4 45.5 -61.6 -41.9 0.8 -20.4 -31.3 173 173 A V H > S+ 0 0 69 2,-0.2 4,-2.8 1,-0.2 -2,-0.2 0.880 110.3 53.7 -67.6 -42.5 -0.3 -16.9 -30.6 174 174 A F H X S+ 0 0 8 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.934 109.1 48.7 -57.0 -48.8 1.3 -16.9 -27.1 175 175 A V H X S+ 0 0 10 -4,-2.3 4,-2.4 2,-0.2 5,-0.2 0.907 113.3 46.7 -61.2 -44.0 4.7 -17.9 -28.7 176 176 A Q H X S+ 0 0 85 -4,-1.7 4,-2.6 1,-0.2 -1,-0.2 0.917 114.1 48.1 -63.3 -43.9 4.4 -15.2 -31.4 177 177 A Q H X S+ 0 0 47 -4,-2.8 4,-1.7 2,-0.2 -2,-0.2 0.857 112.3 49.5 -64.1 -37.8 3.4 -12.6 -28.8 178 178 A Y H X S+ 0 0 4 -4,-2.6 4,-1.7 2,-0.2 -2,-0.2 0.951 114.8 43.0 -65.3 -52.9 6.3 -13.6 -26.5 179 179 A A H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.870 112.7 52.8 -62.5 -42.1 8.9 -13.4 -29.2 180 180 A D H X S+ 0 0 50 -4,-2.6 4,-2.3 -5,-0.2 -1,-0.2 0.845 107.4 53.5 -62.2 -35.5 7.5 -10.2 -30.6 181 181 A T H X S+ 0 0 0 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.893 107.6 49.2 -65.3 -42.7 7.7 -8.7 -27.1 182 182 A V H X S+ 0 0 0 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.936 111.2 51.3 -61.5 -45.4 11.4 -9.6 -26.8 183 183 A K H X S+ 0 0 71 -4,-2.2 4,-3.1 1,-0.2 -2,-0.2 0.934 110.1 48.6 -52.7 -53.3 12.0 -8.0 -30.2 184 184 A Y H < S+ 0 0 102 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.871 113.5 46.0 -59.2 -42.1 10.3 -4.8 -29.2 185 185 A L H < S+ 0 0 3 -4,-2.2 3,-0.4 1,-0.2 -1,-0.2 0.788 117.1 45.1 -71.7 -30.1 12.2 -4.5 -25.9 186 186 A S H < S+ 0 0 16 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.868 98.2 68.3 -80.3 -39.8 15.5 -5.3 -27.7 187 187 A E < 0 0 123 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.1 0.454 360.0 360.0 -63.7 0.8 15.0 -2.9 -30.7 188 188 A E 0 0 121 -3,-0.4 -1,-0.3 -5,-0.2 -2,-0.1 0.875 360.0 360.0 -61.3 360.0 15.4 -0.1 -28.2 189 !* 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 0.0 190 1 B A 0 0 128 0, 0.0 2,-0.7 0, 0.0 176,-0.0 0.000 360.0 360.0 360.0 -26.0 39.1 2.8 -30.0 191 2 B Q - 0 0 133 2,-0.0 2,-0.5 0, 0.0 0, 0.0 -0.888 360.0-167.4 -98.6 112.0 39.8 0.8 -26.9 192 3 B Y + 0 0 41 -2,-0.7 2,-0.4 4,-0.1 178,-0.0 -0.875 9.3 174.6-108.1 128.1 37.2 1.5 -24.2 193 4 B E >>> - 0 0 111 -2,-0.5 3,-2.1 5,-0.0 5,-0.8 -0.990 37.2-107.7-132.9 138.8 37.5 0.5 -20.6 194 5 B D B 345S+f 198 0B 92 -2,-0.4 5,-0.2 1,-0.2 154,-0.0 -0.403 110.8 30.5 -54.6 133.5 35.6 1.1 -17.4 195 6 B G T 345S+ 0 0 49 3,-2.9 -1,-0.2 1,-0.1 4,-0.2 0.155 117.5 63.0 95.2 -17.3 37.6 3.4 -15.3 196 7 B K T <45S+ 0 0 31 -3,-2.1 158,-0.5 2,-0.4 -2,-0.1 0.770 119.2 2.4-100.4 -89.6 39.2 5.1 -18.3 197 8 B Q T <5S+ 0 0 31 -4,-0.7 154,-2.5 156,-0.1 2,-0.3 0.619 137.6 8.9 -77.9 -14.2 36.8 7.0 -20.7 198 9 B Y E < -fG 194 350B 25 -5,-0.8 -3,-2.9 152,-0.3 -2,-0.4 -0.964 64.4-140.5-156.1 165.0 33.8 6.2 -18.5 199 10 B T E - G 0 349B 48 150,-2.5 150,-2.7 -2,-0.3 2,-0.5 -0.885 22.4-118.8-128.1 162.9 32.7 4.8 -15.1 200 11 B T E - G 0 348B 56 -2,-0.3 148,-0.2 148,-0.2 2,-0.1 -0.896 26.2-119.4-109.1 129.7 29.8 2.6 -14.1 201 12 B L - 0 0 28 146,-2.5 -184,-0.2 -2,-0.5 133,-0.0 -0.419 10.6-140.4 -64.4 133.3 27.1 3.7 -11.6 202 13 B E S S+ 0 0 201 1,-0.3 -1,-0.1 -2,-0.1 -185,-0.1 0.935 101.4 31.8 -55.5 -46.9 26.9 1.5 -8.4 203 14 B K S S- 0 0 163 130,-0.1 -1,-0.3 -187,-0.1 -187,-0.1 -0.858 88.9-145.4-115.2 93.8 23.1 1.9 -8.7 204 15 B P - 0 0 22 0, 0.0 2,-0.5 0, 0.0 143,-0.2 -0.243 22.9-117.1 -53.9 145.5 21.9 2.2 -12.3 205 16 B V > - 0 0 18 141,-3.1 3,-0.8 -191,-0.1 2,-0.3 -0.756 17.9-134.2 -95.4 127.6 18.9 4.5 -12.8 206 17 B A T 3 S+ 0 0 35 -2,-0.5 140,-0.1 -193,-0.4 -193,-0.1 -0.579 87.5 9.8 -75.2 137.3 15.6 3.1 -14.0 207 18 B G T 3 S+ 0 0 80 -2,-0.3 -1,-0.2 1,-0.2 139,-0.1 0.584 88.3 158.2 73.4 12.4 13.8 5.2 -16.7 208 19 B A < - 0 0 29 -3,-0.8 -1,-0.2 137,-0.2 137,-0.0 -0.292 48.3 -96.0 -66.8 150.4 16.9 7.5 -17.3 209 20 B P - 0 0 30 0, 0.0 137,-0.5 0, 0.0 136,-0.4 -0.257 33.6-114.2 -61.9 157.0 17.3 9.4 -20.6 210 21 B Q S S+ 0 0 52 1,-0.3 135,-2.4 135,-0.2 2,-0.4 0.922 104.6 12.4 -59.2 -49.1 19.5 7.8 -23.2 211 22 B V E S-hI 245 344B 1 33,-0.7 35,-2.5 133,-0.2 2,-0.5 -0.966 78.9-173.6-134.4 115.1 22.1 10.6 -23.0 212 23 B L E -hI 246 343B 7 131,-3.1 131,-2.5 -2,-0.4 2,-0.4 -0.933 4.7-172.9-123.8 114.7 21.9 13.0 -20.1 213 24 B E E -hI 247 342B 7 33,-3.1 35,-2.8 -2,-0.5 2,-0.4 -0.846 6.9-159.5-102.7 134.8 24.0 16.1 -19.6 214 25 B F E +hI 248 341B 0 127,-2.8 127,-1.5 -2,-0.4 2,-0.3 -0.914 21.2 158.2-110.5 143.2 23.9 18.2 -16.5 215 26 B F E -h 249 0B 5 33,-1.9 35,-1.8 -2,-0.4 2,-0.3 -0.946 29.1-141.8-150.3 168.7 25.1 21.9 -16.4 216 27 B S > - 0 0 0 -2,-0.3 3,-1.0 33,-0.2 6,-0.1 -0.995 18.6-138.1-133.9 142.7 24.9 25.2 -14.5 217 28 B F T 3 S+ 0 0 1 -2,-0.3 69,-0.2 1,-0.2 68,-0.1 0.638 108.9 56.5 -67.3 -14.0 24.9 28.7 -16.0 218 29 B F T 3 S+ 0 0 1 35,-0.1 -1,-0.2 67,-0.1 36,-0.1 0.636 85.0 100.8 -85.4 -19.5 27.2 29.6 -13.2 219 30 B C <> - 0 0 9 -3,-1.0 4,-2.0 1,-0.1 -3,-0.1 -0.565 57.1-159.2 -83.7 122.3 29.8 27.0 -14.1 220 31 B P H > S+ 0 0 7 0, 0.0 4,-2.1 0, 0.0 -1,-0.1 0.836 95.7 50.2 -68.0 -32.5 32.9 28.2 -16.0 221 32 B H H > S+ 0 0 23 2,-0.2 4,-2.6 1,-0.2 5,-0.1 0.848 108.9 52.4 -75.4 -31.5 33.7 24.7 -17.3 222 33 B C H > S+ 0 0 5 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.898 108.2 51.4 -62.6 -41.7 30.1 24.3 -18.5 223 34 B Y H X>S+ 0 0 24 -4,-2.0 4,-3.2 2,-0.2 5,-0.6 0.928 111.1 48.4 -58.6 -47.4 30.5 27.7 -20.3 224 35 B Q H X>S+ 0 0 14 -4,-2.1 5,-2.9 1,-0.2 4,-1.5 0.908 110.1 51.7 -56.0 -47.5 33.7 26.2 -21.9 225 36 B F H <>S+ 0 0 5 -4,-2.6 6,-2.7 3,-0.2 5,-0.5 0.881 121.6 31.9 -58.3 -42.5 31.8 23.0 -22.9 226 37 B E H <5S+ 0 0 31 -4,-2.3 -2,-0.2 4,-0.2 -3,-0.2 0.936 127.7 31.6 -83.9 -52.2 29.1 25.0 -24.6 227 38 B E H <5S+ 0 0 35 -4,-3.2 -3,-0.2 -5,-0.2 -2,-0.1 0.737 133.1 20.4 -87.6 -24.3 30.7 28.1 -26.0 228 39 B V T << + 0 0 79 -5,-0.5 4,-2.2 -6,-0.5 -4,-0.2 0.943 28.8 171.4 53.3 51.6 30.6 22.7 -28.3 231 42 B I H > S+ 0 0 1 -6,-2.7 4,-2.6 1,-0.2 5,-0.2 0.922 70.4 49.8 -56.8 -50.4 30.5 19.3 -26.5 232 43 B S H > S+ 0 0 15 -7,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.896 111.9 47.7 -59.4 -44.3 26.7 18.8 -27.0 233 44 B D H > S+ 0 0 83 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.916 114.7 46.0 -62.2 -45.6 26.8 19.5 -30.8 234 45 B N H X S+ 0 0 51 -4,-2.2 4,-0.7 2,-0.2 -2,-0.2 0.855 113.3 48.5 -68.5 -37.5 29.8 17.2 -31.3 235 46 B V H >X S+ 0 0 1 -4,-2.6 3,-1.1 -5,-0.2 4,-0.5 0.938 111.5 51.5 -63.0 -48.0 28.3 14.4 -29.3 236 47 B K H >< S+ 0 0 150 -4,-2.6 3,-1.1 1,-0.2 -2,-0.2 0.881 102.8 59.2 -57.2 -43.1 25.0 14.8 -31.2 237 48 B K H 3< S+ 0 0 168 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.733 112.1 39.6 -57.8 -26.8 26.8 14.6 -34.6 238 49 B K H << S+ 0 0 68 -3,-1.1 -1,-0.2 -4,-0.7 -2,-0.2 0.373 88.5 115.9-109.5 2.5 28.1 11.1 -33.8 239 50 B L << - 0 0 20 -3,-1.1 3,-0.1 -4,-0.5 133,-0.1 -0.421 69.8-106.1 -72.5 146.3 25.1 9.6 -32.0 240 51 B P > - 0 0 36 0, 0.0 3,-1.2 0, 0.0 -1,-0.1 -0.196 49.7 -79.8 -60.7 162.2 23.2 6.6 -33.5 241 52 B E T 3 S+ 0 0 188 1,-0.2 3,-0.1 3,-0.0 0, 0.0 -0.387 116.4 23.4 -63.6 141.9 19.8 7.1 -35.1 242 53 B G T 3 S+ 0 0 72 1,-0.2 2,-0.6 -3,-0.1 -1,-0.2 0.584 91.5 119.5 76.9 11.2 16.9 7.3 -32.7 243 54 B V < - 0 0 30 -3,-1.2 2,-0.2 -7,-0.1 -1,-0.2 -0.948 45.3-166.0-108.7 117.2 19.1 8.5 -29.8 244 55 B K - 0 0 150 -2,-0.6 -33,-0.7 -3,-0.1 2,-0.4 -0.667 14.7-125.8-101.2 158.6 18.2 11.9 -28.4 245 56 B M E -h 211 0B 49 -2,-0.2 2,-0.4 -35,-0.1 -33,-0.2 -0.835 18.6-162.7-105.8 143.1 20.1 14.1 -26.1 246 57 B T E -h 212 0B 23 -35,-2.5 -33,-3.1 -2,-0.4 2,-0.4 -0.973 2.9-168.8-126.7 136.4 18.8 15.6 -22.8 247 58 B K E -h 213 0B 38 -2,-0.4 2,-0.4 -35,-0.2 -33,-0.2 -0.983 5.2-175.6-133.7 124.2 20.2 18.5 -20.9 248 59 B Y E -h 214 0B 8 -35,-2.8 -33,-1.9 -2,-0.4 2,-0.2 -0.915 19.5-132.4-120.5 143.4 19.2 19.5 -17.4 249 60 B H E -h 215 0B 2 -2,-0.4 2,-0.3 -35,-0.2 -33,-0.2 -0.594 24.9-131.5 -85.3 153.6 20.2 22.5 -15.2 250 61 B V - 0 0 3 -35,-1.8 3,-0.3 -2,-0.2 -33,-0.2 -0.807 7.8-150.8-111.8 153.9 21.3 21.9 -11.6 251 62 B N S S+ 0 0 36 -2,-0.3 8,-0.2 1,-0.2 7,-0.2 0.743 76.3 86.0 -83.7 -31.7 20.3 23.7 -8.3 252 63 B F S S+ 0 0 69 6,-0.1 2,-0.4 2,-0.1 -1,-0.2 0.325 78.7 67.5 -76.8 8.8 23.4 23.3 -6.2 253 64 B M S S+ 0 0 5 -3,-0.3 -36,-0.1 2,-0.1 -35,-0.1 -0.993 102.5 13.9-122.6 133.2 25.2 26.4 -7.5 254 65 B G S >> S- 0 0 18 -2,-0.4 3,-1.2 4,-0.1 4,-0.8 0.606 92.9-121.3 86.2 15.4 24.1 30.0 -6.8 255 66 B G H >> S- 0 0 33 1,-0.3 4,-1.5 2,-0.2 3,-0.5 -0.207 83.4 -4.9 57.6-134.1 21.6 29.4 -4.1 256 67 B D H 3> S+ 0 0 78 1,-0.3 4,-2.1 2,-0.2 -1,-0.3 0.826 135.6 57.1 -65.2 -31.3 18.0 30.6 -4.8 257 68 B L H <> S+ 0 0 0 288,-1.3 4,-2.2 -3,-1.2 -1,-0.3 0.826 103.1 55.7 -65.6 -32.3 19.1 32.2 -8.1 258 69 B G H S+ 0 0 0 -4,-2.6 5,-2.5 1,-0.2 4,-0.8 0.884 112.8 45.9 -56.6 -41.4 13.2 27.0 -22.2 269 80 B M H <5S+ 0 0 36 -4,-2.3 3,-0.5 3,-0.2 -2,-0.2 0.943 112.4 49.3 -66.0 -50.5 12.6 23.2 -22.6 270 81 B A H <5S+ 0 0 44 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.850 119.6 38.2 -56.5 -39.9 8.7 23.5 -22.4 271 82 B L H <5S- 0 0 77 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.563 107.6-125.6 -88.8 -8.9 8.8 26.3 -25.1 272 83 B G T <5S+ 0 0 51 -4,-0.8 -3,-0.2 -3,-0.5 3,-0.2 0.851 72.3 125.0 65.7 38.4 11.6 24.6 -27.1 273 84 B V >>< + 0 0 12 -5,-2.5 4,-1.5 -6,-0.2 3,-1.3 0.119 20.4 120.0-115.6 22.0 13.8 27.8 -27.1 274 85 B E H 3> S+ 0 0 57 -6,-0.6 4,-1.9 1,-0.3 3,-0.2 0.856 75.9 54.1 -52.3 -41.4 17.0 26.4 -25.6 275 86 B D H 34 S+ 0 0 158 1,-0.2 4,-0.3 -3,-0.2 -1,-0.3 0.704 109.1 48.9 -70.3 -22.0 19.0 27.4 -28.7 276 87 B K H <4 S+ 0 0 125 -3,-1.3 -1,-0.2 -8,-0.1 -2,-0.2 0.746 120.7 31.5 -84.8 -29.2 17.8 31.0 -28.4 277 88 B V H X S+ 0 0 0 -4,-1.5 4,-2.0 -3,-0.2 5,-0.2 0.636 94.3 83.0-109.0 -15.7 18.6 31.5 -24.7 278 89 B T H X S+ 0 0 7 -4,-1.9 4,-2.2 -5,-0.2 5,-0.2 0.926 96.8 42.3 -60.2 -50.7 21.6 29.4 -23.8 279 90 B V H > S+ 0 0 67 -4,-0.3 4,-2.7 1,-0.2 5,-0.3 0.967 115.4 47.7 -64.1 -54.4 24.3 31.8 -25.1 280 91 B P H > S+ 0 0 49 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.798 112.3 51.5 -59.4 -25.0 22.7 35.0 -23.6 281 92 B L H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 5,-0.2 0.937 111.3 45.3 -74.9 -46.2 22.2 33.3 -20.3 282 93 B F H X>S+ 0 0 2 -4,-2.2 4,-2.5 -5,-0.2 5,-0.6 0.929 118.0 45.1 -57.6 -46.5 25.8 32.1 -20.0 283 94 B E H X>S+ 0 0 59 -4,-2.7 5,-2.2 -5,-0.2 4,-1.8 0.931 113.4 49.8 -63.8 -46.0 27.0 35.6 -21.1 284 95 B G H <5S+ 0 0 3 -4,-2.1 7,-2.0 -5,-0.3 6,-1.2 0.872 117.9 38.5 -61.0 -40.6 24.6 37.4 -18.7 285 96 B V H <5S+ 0 0 0 -4,-2.4 -2,-0.2 4,-0.2 -1,-0.2 0.943 133.1 17.1 -75.9 -48.0 25.6 35.3 -15.7 286 97 B Q H <5S+ 0 0 8 -4,-2.5 -3,-0.2 -5,-0.2 -2,-0.2 0.709 129.3 30.7-104.1 -27.6 29.3 35.0 -16.2 287 98 B K T <> S- 0 0 15 254,-0.2 4,-1.4 255,-0.1 3,-0.9 -0.957 87.2 -82.2-164.0 171.3 18.0 37.9 -10.3 294 105 B A H 3> S+ 0 0 29 252,-0.4 4,-2.1 -2,-0.3 5,-0.1 0.810 121.1 59.8 -55.4 -37.1 15.0 36.1 -11.8 295 106 B S H 3> S+ 0 0 80 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.828 103.4 51.6 -65.7 -30.7 13.8 39.4 -13.4 296 107 B D H <> S+ 0 0 53 -3,-0.9 4,-1.4 2,-0.2 -1,-0.2 0.851 107.4 52.9 -70.7 -36.1 17.0 39.7 -15.4 297 108 B I H X S+ 0 0 0 -4,-1.4 4,-1.7 1,-0.2 3,-0.3 0.933 107.7 51.7 -60.1 -46.8 16.6 36.1 -16.6 298 109 B R H X S+ 0 0 82 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.874 105.6 55.2 -56.0 -42.6 13.1 37.0 -17.8 299 110 B D H X S+ 0 0 85 -4,-1.5 4,-2.2 1,-0.2 -1,-0.2 0.841 103.9 54.5 -63.3 -34.5 14.5 40.0 -19.7 300 111 B V H X S+ 0 0 20 -4,-1.4 4,-1.2 -3,-0.3 -1,-0.2 0.895 109.4 47.4 -64.3 -44.0 16.9 37.7 -21.6 301 112 B F H <>S+ 0 0 0 -4,-1.7 5,-2.9 2,-0.2 4,-0.3 0.885 110.9 51.9 -61.8 -42.6 14.0 35.6 -22.8 302 113 B I H ><5S+ 0 0 55 -4,-2.3 3,-1.2 1,-0.2 -2,-0.2 0.925 111.0 47.4 -59.3 -43.7 12.0 38.7 -23.8 303 114 B N H 3<5S+ 0 0 121 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.714 106.9 58.0 -72.5 -21.1 15.0 39.9 -25.9 304 115 B A T 3<5S- 0 0 29 -4,-1.2 -1,-0.3 2,-0.2 -2,-0.2 0.438 130.9 -90.9 -85.5 -2.5 15.4 36.4 -27.4 305 116 B G T < 5S+ 0 0 60 -3,-1.2 2,-0.8 -4,-0.3 -3,-0.2 0.470 88.9 124.2 108.1 3.4 11.8 36.6 -28.7 306 117 B I < - 0 0 8 -5,-2.9 -1,-0.2 -6,-0.1 -2,-0.2 -0.853 60.5-131.0 -97.9 106.1 9.7 35.1 -25.9 307 118 B K >> - 0 0 126 -2,-0.8 4,-2.6 1,-0.1 3,-0.5 -0.182 17.0-115.1 -57.5 146.6 7.1 37.7 -24.9 308 119 B G H 3> S+ 0 0 14 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.824 115.7 51.7 -49.7 -41.6 6.8 38.5 -21.2 309 120 B E H 3> S+ 0 0 66 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.873 111.4 46.8 -65.7 -40.0 3.2 37.1 -21.1 310 121 B E H <> S+ 0 0 99 -3,-0.5 4,-2.3 2,-0.2 -2,-0.2 0.868 113.4 49.5 -69.2 -40.5 4.3 33.8 -22.7 311 122 B Y H X S+ 0 0 5 -4,-2.6 4,-3.2 2,-0.2 -2,-0.2 0.935 111.8 47.3 -62.9 -47.7 7.3 33.6 -20.4 312 123 B D H X S+ 0 0 60 -4,-2.6 4,-1.9 2,-0.2 -2,-0.2 0.891 111.2 51.3 -63.7 -42.0 5.2 34.2 -17.3 313 124 B A H X S+ 0 0 64 -4,-2.0 4,-0.6 2,-0.2 3,-0.2 0.955 114.3 43.9 -56.7 -53.7 2.5 31.7 -18.4 314 125 B A H >< S+ 0 0 9 -4,-2.3 3,-1.6 1,-0.2 6,-0.4 0.937 109.5 56.9 -55.7 -50.3 5.2 29.1 -18.9 315 126 B W H 3< S+ 0 0 46 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.859 114.7 38.3 -49.4 -41.4 7.0 30.0 -15.6 316 127 B N H 3< S+ 0 0 128 -4,-1.9 -1,-0.3 -3,-0.2 -2,-0.2 0.433 94.1 117.0 -92.9 -0.2 3.7 29.3 -13.6 317 128 B S S S+ 0 0 193 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.879 110.1 59.8 -60.4 -38.9 2.3 22.7 -14.3 319 130 B V H > S+ 0 0 90 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.886 106.6 46.3 -58.5 -42.4 4.5 21.4 -17.1 320 131 B V H > S+ 0 0 0 -6,-0.4 4,-2.2 2,-0.2 -1,-0.2 0.901 110.1 52.9 -66.7 -41.3 7.3 23.7 -15.9 321 132 B K H X S+ 0 0 58 -4,-1.9 4,-2.0 1,-0.2 -2,-0.2 0.894 111.0 48.6 -59.6 -40.4 6.8 22.6 -12.3 322 133 B S H X S+ 0 0 70 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.923 110.3 50.2 -62.5 -46.6 7.0 18.9 -13.6 323 134 B L H X S+ 0 0 28 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.818 108.1 53.6 -64.8 -33.0 10.2 19.7 -15.5 324 135 B V H X S+ 0 0 22 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.959 112.2 43.3 -64.3 -50.6 11.8 21.3 -12.4 325 136 B A H X S+ 0 0 53 -4,-2.0 4,-3.1 1,-0.2 -2,-0.2 0.865 111.5 56.1 -61.1 -38.8 11.1 18.2 -10.3 326 137 B Q H X S+ 0 0 90 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.915 108.5 46.8 -57.7 -47.5 12.3 16.0 -13.2 327 138 B Q H X S+ 0 0 3 -4,-2.1 4,-1.6 2,-0.2 -2,-0.2 0.911 114.6 47.2 -61.4 -44.4 15.7 17.9 -13.3 328 139 B E H X S+ 0 0 81 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.911 111.7 49.5 -64.2 -47.3 16.0 17.6 -9.5 329 140 B K H X S+ 0 0 129 -4,-3.1 4,-2.6 1,-0.2 -2,-0.2 0.923 108.9 52.8 -58.1 -47.8 15.1 13.9 -9.4 330 141 B A H X S+ 0 0 14 -4,-2.3 4,-1.0 1,-0.2 -1,-0.2 0.873 110.2 47.4 -56.7 -43.2 17.6 13.0 -12.2 331 142 B A H <>S+ 0 0 14 -4,-1.6 5,-2.6 2,-0.2 3,-0.3 0.899 113.6 47.4 -65.9 -43.7 20.5 14.8 -10.3 332 143 B A H ><5S+ 0 0 72 -4,-2.2 3,-1.6 1,-0.2 -2,-0.2 0.888 106.2 59.5 -64.1 -38.2 19.6 13.1 -7.0 333 144 B D H 3<5S+ 0 0 63 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.774 111.8 39.2 -63.5 -29.2 19.3 9.6 -8.8 334 145 B V T 3<5S- 0 0 14 -4,-1.0 -1,-0.3 -3,-0.3 -2,-0.2 0.217 111.6-119.7-104.2 13.5 22.9 9.9 -9.9 335 146 B Q T < 5 - 0 0 138 -3,-1.6 -3,-0.2 1,-0.2 2,-0.2 0.889 41.7-162.7 50.5 49.4 24.2 11.4 -6.6 336 147 B L < + 0 0 25 -5,-2.6 -1,-0.2 1,-0.1 3,-0.1 -0.404 30.5 160.3 -74.7 129.7 25.4 14.5 -8.5 337 148 B R + 0 0 183 1,-0.3 419,-2.7 -2,-0.2 420,-0.4 0.475 63.7 17.2-121.2 -10.6 27.9 16.8 -6.7 338 149 B G S S- 0 0 3 417,-0.3 -1,-0.3 418,-0.1 -124,-0.1 -0.969 74.3 -88.0-157.9 164.8 29.4 18.7 -9.6 339 150 B V S S+ 0 0 14 415,-0.3 415,-0.2 -2,-0.3 -118,-0.2 -0.906 80.0 43.4-136.0 164.4 29.1 19.8 -13.3 340 151 B P S S+ 0 0 13 0, 0.0 2,-0.3 0, 0.0 -125,-0.2 0.642 75.2 152.6 -70.0 159.4 29.5 19.4 -16.2 341 152 B A E -I 214 0B 4 -127,-1.5 -127,-2.8 -2,-0.1 2,-0.4 -0.985 26.7-161.6-152.4 153.0 28.5 15.7 -16.2 342 153 B M E -I 213 0B 0 -2,-0.3 8,-2.4 8,-0.3 2,-0.4 -0.996 4.2-170.1-143.1 136.6 27.1 13.2 -18.7 343 154 B F E -IJ 212 349B 3 -131,-2.5 -131,-3.1 -2,-0.4 2,-0.5 -0.966 11.6-147.1-129.2 139.2 25.4 9.9 -18.2 344 155 B V E >> S-IJ 211 348B 0 4,-3.0 3,-2.1 -2,-0.4 4,-1.9 -0.938 76.4 -21.9-113.1 124.4 24.4 7.2 -20.7 345 156 B N T 34 S- 0 0 42 -135,-2.4 -137,-0.2 -2,-0.5 -135,-0.2 0.703 111.5 -72.7 52.7 29.6 21.3 5.1 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S+ 0 0 1 -4,-1.7 4,-1.8 2,-0.2 -2,-0.2 0.909 111.7 47.1 -63.5 -41.2 -8.8 -28.1 -2.1 638 74 D Q H X S+ 0 0 29 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.881 110.9 51.4 -67.3 -37.7 -12.5 -29.0 -2.8 639 75 D A H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.880 107.5 52.8 -65.9 -37.1 -11.5 -31.1 -5.8 640 76 D W H X S+ 0 0 5 -4,-2.2 4,-2.7 2,-0.2 -1,-0.2 0.890 106.0 53.8 -66.2 -38.6 -9.0 -33.0 -3.7 641 77 D A H X S+ 0 0 0 -4,-1.8 4,-3.1 2,-0.2 -2,-0.2 0.933 109.2 48.8 -54.6 -49.3 -11.8 -33.7 -1.2 642 78 D V H X S+ 0 0 0 -4,-2.0 4,-3.0 2,-0.2 5,-0.3 0.939 109.7 52.1 -54.8 -49.5 -13.9 -35.1 -4.2 643 79 D A H X>S+ 0 0 0 -4,-2.7 5,-2.2 1,-0.2 4,-1.3 0.899 113.3 44.1 -54.9 -45.7 -10.8 -37.2 -5.2 644 80 D M H <5S+ 0 0 35 -4,-2.7 -1,-0.2 3,-0.2 -2,-0.2 0.895 113.4 50.2 -65.7 -43.1 -10.6 -38.6 -1.6 645 81 D A H <5S+ 0 0 44 -4,-3.1 -2,-0.2 1,-0.2 -1,-0.2 0.872 119.5 37.2 -63.7 -39.2 -14.4 -39.1 -1.4 646 82 D L H <5S- 0 0 46 -4,-3.0 -1,-0.2 -5,-0.2 -2,-0.2 0.610 106.6-126.6 -88.7 -14.1 -14.4 -41.0 -4.7 647 83 D G T <5S+ 0 0 54 -4,-1.3 -3,-0.2 -5,-0.3 3,-0.2 0.845 71.4 125.1 72.8 35.2 -11.0 -42.7 -4.1 648 84 D V >>< + 0 0 11 -5,-2.2 3,-1.5 -6,-0.2 4,-1.3 0.041 18.9 123.1-116.1 25.1 -9.6 -41.5 -7.4 649 85 D E H 3> S+ 0 0 57 -6,-0.5 4,-1.9 1,-0.3 3,-0.3 0.856 74.9 54.9 -52.3 -41.9 -6.4 -39.7 -6.2 650 86 D D H 34 S+ 0 0 156 1,-0.2 -1,-0.3 -3,-0.2 4,-0.2 0.640 108.2 50.1 -70.4 -16.9 -4.2 -41.9 -8.4 651 87 D K H <4 S+ 0 0 123 -3,-1.5 -1,-0.2 -8,-0.1 -2,-0.2 0.750 119.6 30.9 -89.9 -27.5 -6.2 -40.9 -11.5 652 88 D V H X S+ 0 0 0 -4,-1.3 4,-2.3 -3,-0.3 5,-0.3 0.610 94.1 82.6-112.3 -16.0 -6.2 -37.1 -11.1 653 89 D T H X S+ 0 0 8 -4,-1.9 4,-2.8 -5,-0.2 5,-0.2 0.957 97.0 43.5 -57.0 -56.0 -2.9 -36.2 -9.3 654 90 D V H > S+ 0 0 65 -4,-0.2 4,-3.0 1,-0.2 5,-0.3 0.964 116.5 44.4 -57.4 -58.3 -0.7 -36.2 -12.5 655 91 D P H > S+ 0 0 48 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.856 115.1 49.8 -60.3 -32.3 -3.2 -34.4 -14.8 656 92 D L H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 5,-0.2 0.940 114.0 44.8 -67.6 -47.7 -4.0 -31.8 -12.1 657 93 D F H X>S+ 0 0 1 -4,-2.8 4,-2.3 -5,-0.3 5,-0.5 0.922 117.8 44.0 -58.3 -47.5 -0.2 -31.1 -11.4 658 94 D E H X>S+ 0 0 62 -4,-3.0 5,-2.3 -5,-0.2 4,-1.6 0.913 113.3 52.1 -67.0 -39.9 0.6 -31.0 -15.1 659 95 D G H <5S+ 0 0 6 -4,-2.5 7,-2.0 -5,-0.3 6,-0.7 0.865 116.3 38.1 -63.9 -40.5 -2.5 -28.8 -15.9 660 96 D V H <5S+ 0 0 15 -4,-2.2 -2,-0.2 4,-0.2 -1,-0.2 0.934 133.8 18.2 -74.2 -46.2 -1.7 -26.2 -13.2 661 97 D Q H <5S+ 0 0 17 -4,-2.3 -3,-0.2 -5,-0.2 -2,-0.2 0.773 127.4 35.5-106.8 -32.4 2.1 -26.1 -13.6 662 98 D K T < S- 0 0 47 1,-0.1 4,-1.4 -36,-0.1 3,-0.2 -0.905 84.5 -97.9-146.8 170.9 -11.0 -22.4 -13.3 669 105 D A H > S+ 0 0 38 -2,-0.3 4,-2.2 1,-0.2 5,-0.1 0.837 121.4 59.4 -59.5 -35.0 -13.3 -24.9 -11.5 670 106 D S H > S+ 0 0 74 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.873 102.3 51.5 -63.3 -40.8 -14.5 -26.0 -14.9 671 107 D D H > S+ 0 0 42 -3,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.867 108.4 52.3 -62.7 -38.8 -10.9 -27.0 -16.0 672 108 D I H X S+ 0 0 0 -4,-1.4 4,-1.3 1,-0.2 3,-0.4 0.938 107.1 52.4 -62.2 -47.3 -10.6 -29.0 -12.8 673 109 D R H X S+ 0 0 78 -4,-2.2 4,-1.9 1,-0.2 3,-0.3 0.880 103.6 58.2 -55.8 -41.7 -13.9 -30.8 -13.6 674 110 D D H X S+ 0 0 76 -4,-1.8 4,-2.9 1,-0.2 -1,-0.2 0.871 101.0 55.6 -56.6 -41.8 -12.6 -31.7 -17.1 675 111 D V H X S+ 0 0 17 -4,-1.3 4,-1.0 -3,-0.4 -1,-0.2 0.885 107.0 49.3 -60.2 -41.8 -9.6 -33.5 -15.6 676 112 D F H <>S+ 0 0 0 -4,-1.3 5,-2.1 -3,-0.3 -1,-0.2 0.904 112.5 47.8 -65.4 -41.2 -11.9 -35.8 -13.6 677 113 D I H ><5S+ 0 0 58 -4,-1.9 3,-2.3 1,-0.2 -2,-0.2 0.962 110.8 49.7 -63.6 -53.1 -14.0 -36.6 -16.6 678 114 D N H 3<5S+ 0 0 139 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.714 104.7 62.3 -57.4 -21.5 -11.0 -37.4 -18.8 679 115 D A T 3<5S- 0 0 26 -4,-1.0 -1,-0.3 -5,-0.2 -2,-0.2 0.441 124.7-101.1 -87.3 -1.1 -9.8 -39.6 -16.0 680 116 D G T < 5S+ 0 0 67 -3,-2.3 2,-0.5 1,-0.3 -3,-0.2 0.508 77.1 137.8 97.0 7.0 -12.8 -41.9 -16.3 681 117 D I < - 0 0 7 -5,-2.1 -1,-0.3 1,-0.1 -2,-0.1 -0.769 59.7-110.4 -87.8 124.2 -14.9 -40.5 -13.4 682 118 D K > - 0 0 54 -2,-0.5 4,-1.8 1,-0.1 -1,-0.1 -0.143 16.3-129.5 -55.8 145.6 -18.5 -40.1 -14.3 683 119 D G H > S+ 0 0 25 1,-0.2 4,-1.4 2,-0.2 5,-0.1 0.808 108.8 47.5 -67.9 -34.5 -19.9 -36.6 -14.6 684 120 D E H > S+ 0 0 84 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.787 109.2 56.8 -75.2 -30.8 -22.9 -37.1 -12.3 685 121 D E H > S+ 0 0 84 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.921 107.6 47.2 -61.4 -48.4 -20.6 -38.7 -9.8 686 122 D Y H X S+ 0 0 6 -4,-1.8 4,-3.2 2,-0.2 -2,-0.2 0.860 113.0 46.4 -64.8 -42.6 -18.4 -35.6 -9.7 687 123 D D H X S+ 0 0 66 -4,-1.4 4,-1.8 2,-0.2 -1,-0.2 0.873 112.6 49.5 -73.9 -37.6 -21.2 -33.1 -9.2 688 124 D A H < S+ 0 0 67 -4,-1.8 4,-0.3 2,-0.2 -2,-0.2 0.903 116.1 44.4 -61.3 -43.7 -22.9 -35.2 -6.6 689 125 D A H >< S+ 0 0 8 -4,-2.1 3,-1.8 2,-0.2 6,-0.4 0.960 109.5 55.8 -65.4 -51.4 -19.6 -35.4 -4.8 690 126 D W H 3< S+ 0 0 43 -4,-3.2 -2,-0.2 1,-0.3 -1,-0.2 0.865 115.5 36.7 -47.2 -47.8 -18.7 -31.7 -5.2 691 127 D N T 3< S+ 0 0 126 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.358 96.0 116.9 -92.0 4.9 -21.9 -30.5 -3.6 692 128 D S S <> S- 0 0 32 -3,-1.8 4,-2.0 -4,-0.3 5,-0.1 -0.340 71.1-128.1 -78.0 152.2 -22.1 -33.3 -0.9 693 129 D F H > S+ 0 0 180 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.840 111.3 62.0 -59.7 -37.0 -21.9 -32.9 2.9 694 130 D V H > S+ 0 0 91 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.910 107.1 43.6 -56.4 -42.6 -19.1 -35.6 2.8 695 131 D V H > S+ 0 0 0 -6,-0.4 4,-2.6 2,-0.2 -2,-0.2 0.887 110.8 54.0 -72.3 -39.0 -17.0 -33.2 0.7 696 132 D K H X S+ 0 0 145 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.923 111.8 46.7 -55.3 -44.7 -17.9 -30.2 2.9 697 133 D S H X S+ 0 0 69 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.884 111.1 51.2 -63.9 -41.2 -16.7 -32.3 5.8 698 134 D L H X S+ 0 0 23 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.858 107.8 51.9 -69.4 -37.0 -13.5 -33.3 4.0 699 135 D V H X S+ 0 0 21 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.952 112.9 45.0 -59.4 -51.7 -12.7 -29.7 3.1 700 136 D A H X S+ 0 0 51 -4,-2.0 4,-3.0 1,-0.2 -2,-0.2 0.891 110.2 56.1 -59.8 -41.6 -13.0 -28.6 6.8 701 137 D Q H X S+ 0 0 85 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.902 108.4 46.8 -54.6 -47.3 -11.0 -31.7 7.8 702 138 D Q H X S+ 0 0 1 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