==== 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 21-JUL-08 3DVX . COMPND 2 MOLECULE: THIOL:DISULFIDE INTERCHANGE PROTEIN DSBA; . SOURCE 2 ORGANISM_SCIENTIFIC: NEISSERIA MENINGITIDIS MC58; . AUTHOR C.LAFAYE,L.SERRE . 377 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17446.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 279 74.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 4.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 24 6.4 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 . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 31 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 153 40.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 2.1 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 1 0 1 2 0 3 1 0 1 2 2 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 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 . 1 1 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 0 1 1 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 G 0 0 136 0, 0.0 2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-137.1 -2.7 -3.4 12.9 2 1 A Y - 0 0 83 2,-0.0 176,-0.0 173,-0.0 0, 0.0 -0.420 360.0-167.9-148.4 66.7 0.8 -2.0 13.2 3 2 A A - 0 0 65 1,-0.1 2,-0.9 6,-0.0 175,-0.0 -0.187 20.7-129.7 -56.1 144.0 2.4 -1.1 9.8 4 3 A L - 0 0 30 174,-0.1 2,-0.5 5,-0.0 -1,-0.1 -0.803 28.5-179.0-103.3 97.2 6.2 -0.4 9.8 5 4 A T >>> - 0 0 64 -2,-0.9 4,-2.4 1,-0.1 3,-0.9 -0.824 26.6-122.2 -95.6 127.3 6.8 2.9 8.0 6 5 A E B 345S+a 10 0A 105 -2,-0.5 5,-0.2 1,-0.2 250,-0.1 -0.155 95.8 29.3 -62.2 160.2 10.5 4.0 7.7 7 6 A G T 345S+ 0 0 1 3,-2.2 250,-0.3 1,-0.2 -1,-0.2 0.644 125.0 55.2 62.1 14.4 11.5 7.5 9.0 8 7 A E T <45S+ 0 0 70 -3,-0.9 158,-0.4 2,-0.6 -2,-0.2 0.499 121.6 13.1-136.7 -64.1 8.7 6.9 11.5 9 8 A D T <5S+ 0 0 20 -4,-2.4 155,-3.4 1,-0.2 2,-0.3 0.785 132.1 1.4 -90.7 -33.8 9.1 3.7 13.4 10 9 A Y E < -aB 6 163A 14 -5,-0.7 -3,-2.2 153,-0.2 -2,-0.6 -0.954 56.7-133.1-153.1 168.1 12.7 3.0 12.4 11 10 A L E - B 0 162A 25 151,-1.9 151,-3.1 -2,-0.3 2,-0.6 -0.986 27.4-122.5-129.2 135.4 15.8 4.2 10.5 12 11 A V E - B 0 161A 62 -2,-0.4 149,-0.2 149,-0.2 148,-0.1 -0.676 41.7-116.2 -79.2 115.8 17.9 2.0 8.1 13 12 A L - 0 0 23 147,-1.5 -1,-0.1 -2,-0.6 143,-0.0 -0.183 7.6-140.1 -56.6 144.3 21.3 2.2 9.6 14 13 A D S S+ 0 0 134 1,-0.2 -1,-0.1 -3,-0.0 -2,-0.0 0.955 98.4 20.7 -48.6 -60.3 24.1 3.7 7.6 15 14 A K S S- 0 0 109 132,-0.1 -1,-0.2 144,-0.0 -2,-0.0 -0.866 90.5-134.9-132.2 89.7 26.5 1.1 8.7 16 15 A P - 0 0 69 0, 0.0 144,-0.2 0, 0.0 143,-0.1 0.073 13.0-123.5 -47.6 148.9 25.0 -2.2 10.0 17 16 A I - 0 0 2 142,-1.6 2,-0.1 130,-0.0 -4,-0.0 -0.876 31.4-117.2 -98.1 119.9 26.1 -3.9 13.2 18 17 A P - 0 0 88 0, 0.0 141,-0.1 0, 0.0 2,-0.1 -0.339 28.0-125.5 -57.7 129.2 27.2 -7.5 12.5 19 18 A Q - 0 0 43 139,-0.1 3,-0.1 1,-0.1 6,-0.0 -0.390 11.0-127.7 -67.4 151.9 25.0 -10.0 14.4 20 19 A E S S+ 0 0 106 1,-0.2 2,-0.3 -2,-0.1 -1,-0.1 0.378 95.4 43.9 -83.0 6.9 26.8 -12.5 16.5 21 20 A Q > - 0 0 75 3,-0.2 3,-0.6 0, 0.0 -1,-0.2 -0.896 66.3-153.5-150.8 123.4 24.8 -15.2 14.7 22 21 A S T 3 S+ 0 0 95 -2,-0.3 3,-0.0 1,-0.2 -2,-0.0 -0.440 86.5 41.6 -71.5 162.7 24.0 -15.9 11.0 23 22 A G T 3 S+ 0 0 63 -2,-0.1 2,-0.3 1,-0.0 -1,-0.2 0.204 105.9 70.2 84.4 -21.2 20.8 -17.9 10.7 24 23 A K S < S- 0 0 74 -3,-0.6 2,-0.5 33,-0.0 32,-0.3 -0.992 83.9-111.4-132.5 147.2 18.8 -16.1 13.4 25 24 A I E -c 56 0A 5 30,-2.4 32,-2.1 -2,-0.3 2,-0.4 -0.588 35.2-144.6 -75.9 116.9 17.3 -12.6 13.6 26 25 A E E -c 57 0A 1 -2,-0.5 132,-4.3 30,-0.2 2,-0.6 -0.680 11.7-161.6 -88.0 127.0 19.1 -10.5 16.3 27 26 A V E -cD 58 157A 0 30,-2.9 32,-2.9 -2,-0.4 2,-0.4 -0.940 21.9-164.1-100.7 117.1 17.4 -8.0 18.5 28 27 A L E -cD 59 156A 2 128,-2.7 128,-1.9 -2,-0.6 2,-0.5 -0.873 10.8-173.0-110.5 132.1 20.3 -5.8 19.8 29 28 A E E -cD 60 155A 3 30,-2.4 32,-3.0 -2,-0.4 2,-0.3 -0.965 9.0-163.2-127.7 119.8 20.1 -3.4 22.7 30 29 A F E +cD 61 154A 1 124,-2.6 124,-1.3 -2,-0.5 2,-0.3 -0.739 31.8 148.2 -86.4 146.6 22.7 -0.9 23.8 31 30 A F E -c 62 0A 3 30,-1.5 32,-1.9 -2,-0.3 2,-0.3 -0.958 37.4-136.1-163.2 170.0 22.1 0.3 27.4 32 31 A G > - 0 0 0 -2,-0.3 3,-1.2 30,-0.2 7,-0.2 -0.980 20.8-132.5-136.9 152.1 23.8 1.5 30.5 33 32 A Y T 3 S+ 0 0 2 -2,-0.3 64,-0.4 1,-0.2 63,-0.1 0.603 108.6 60.3 -73.9 -12.2 23.0 0.5 34.1 34 33 A F T 3 S+ 0 0 46 62,-0.1 2,-0.7 63,-0.1 -1,-0.2 0.286 82.9 102.3 -96.7 9.9 23.0 4.3 34.9 35 34 A C X> - 0 0 0 -3,-1.2 4,-2.6 1,-0.1 3,-0.9 -0.828 58.5-157.8-108.1 109.7 20.2 5.0 32.5 36 35 A V H 3> S+ 0 0 14 321,-2.8 4,-1.7 -2,-0.7 -1,-0.1 0.798 95.6 51.1 -56.1 -30.3 16.8 5.6 34.0 37 36 A H H 3> S+ 0 0 28 319,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.821 109.9 47.6 -78.8 -32.6 15.1 4.7 30.6 38 37 A C H <> S+ 0 0 0 -3,-0.9 4,-2.2 2,-0.2 -2,-0.2 0.949 111.3 52.9 -67.7 -49.3 17.0 1.4 30.2 39 38 A H H < S+ 0 0 30 -4,-2.6 -2,-0.2 -7,-0.2 -1,-0.2 0.880 114.7 40.3 -47.4 -48.3 16.2 0.5 33.8 40 39 A H H < S+ 0 0 123 -4,-1.7 4,-0.5 -5,-0.3 -1,-0.2 0.865 118.5 46.3 -74.5 -35.6 12.5 1.1 33.1 41 40 A F H X S+ 0 0 1 -4,-2.0 4,-1.6 1,-0.2 -2,-0.2 0.677 94.4 81.5 -80.0 -19.4 12.5 -0.5 29.7 42 41 A D H X S+ 0 0 4 -4,-2.2 4,-2.5 1,-0.2 3,-0.3 0.905 86.0 52.0 -62.2 -50.9 14.4 -3.5 30.8 43 42 A P H > S+ 0 0 75 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.932 113.6 46.7 -48.5 -45.5 11.6 -5.6 32.3 44 43 A L H > S+ 0 0 73 -4,-0.5 4,-1.9 1,-0.2 -2,-0.2 0.805 111.9 50.7 -66.8 -31.2 9.6 -5.1 29.1 45 44 A L H X S+ 0 0 1 -4,-1.6 4,-2.3 -3,-0.3 -1,-0.2 0.880 110.0 47.9 -78.0 -41.6 12.6 -6.0 26.9 46 45 A L H X S+ 0 0 14 -4,-2.5 4,-3.3 2,-0.2 -2,-0.2 0.865 109.3 54.9 -62.6 -39.9 13.5 -9.2 28.7 47 46 A K H X S+ 0 0 160 -4,-1.8 4,-1.3 -5,-0.3 -2,-0.2 0.957 110.5 44.8 -59.8 -50.7 9.8 -10.2 28.5 48 47 A L H X S+ 0 0 6 -4,-1.9 4,-0.5 2,-0.2 3,-0.4 0.906 112.3 54.6 -54.1 -46.1 9.9 -9.8 24.8 49 48 A G H >< S+ 0 0 9 -4,-2.3 3,-1.6 1,-0.2 -2,-0.2 0.956 106.3 49.4 -54.0 -53.5 13.2 -11.6 24.8 50 49 A K H 3< S+ 0 0 140 -4,-3.3 -1,-0.2 1,-0.3 -2,-0.2 0.761 113.4 47.5 -61.0 -24.5 11.8 -14.6 26.6 51 50 A A H 3< S+ 0 0 78 -4,-1.3 -1,-0.3 -3,-0.4 -2,-0.2 0.406 82.9 120.5 -96.6 0.8 8.8 -14.8 24.1 52 51 A L << - 0 0 26 -3,-1.6 6,-0.1 -4,-0.5 -3,-0.0 -0.359 69.6-111.6 -67.6 141.3 11.0 -14.5 21.0 53 52 A P > - 0 0 62 0, 0.0 3,-1.2 0, 0.0 -1,-0.1 -0.125 34.3 -96.8 -66.8 178.5 10.6 -17.5 18.7 54 53 A S T 3 S+ 0 0 104 1,-0.2 -2,-0.1 3,-0.0 3,-0.0 0.573 121.3 61.3 -74.3 -10.5 13.5 -19.8 18.2 55 54 A D T 3 S+ 0 0 56 -31,-0.1 -30,-2.4 2,-0.0 2,-0.3 0.518 105.7 52.0 -92.4 -5.5 14.7 -18.1 15.0 56 55 A A E < -c 25 0A 7 -3,-1.2 2,-0.3 -32,-0.3 -30,-0.2 -0.873 65.0-175.0-125.5 160.4 15.2 -14.8 16.8 57 56 A Y E -c 26 0A 26 -32,-2.1 -30,-2.9 -2,-0.3 2,-0.4 -0.976 24.0-115.0-150.4 161.1 17.2 -13.8 20.0 58 57 A L E -c 27 0A 29 -2,-0.3 2,-0.4 -32,-0.2 -30,-0.2 -0.837 27.4-179.4 -99.6 139.3 18.0 -10.9 22.3 59 58 A R E -c 28 0A 21 -32,-2.9 -30,-2.4 -2,-0.4 2,-0.4 -0.999 5.2-167.5-135.6 135.5 21.5 -9.5 22.6 60 59 A T E -c 29 0A 15 -2,-0.4 2,-0.4 -32,-0.2 -30,-0.2 -0.979 3.6-172.3-128.7 138.3 22.4 -6.6 24.9 61 60 A E E -c 30 0A 21 -32,-3.0 -30,-1.5 -2,-0.4 2,-0.7 -0.958 20.8-130.8-128.4 146.8 25.6 -4.5 25.0 62 61 A H E -c 31 0A 1 -2,-0.4 -30,-0.2 -32,-0.2 82,-0.1 -0.850 26.1-124.8-106.0 111.5 26.6 -2.0 27.6 63 62 A V - 0 0 2 -32,-1.9 2,-0.5 -2,-0.7 78,-0.2 -0.120 17.1-158.3 -53.1 141.9 27.8 1.4 26.2 64 63 A V + 0 0 2 76,-0.3 81,-0.1 77,-0.2 6,-0.1 -0.965 27.8 153.9-123.5 110.3 31.3 2.6 27.3 65 64 A W S S+ 0 0 36 -2,-0.5 -1,-0.1 1,-0.3 134,-0.1 0.430 70.1 36.0-112.3 -10.6 31.6 6.4 26.9 66 65 A Q S > S- 0 0 30 132,-0.1 3,-4.2 1,-0.1 -1,-0.3 -0.823 75.4-131.7-151.3 109.1 34.3 6.9 29.6 67 66 A P G > S+ 0 0 93 0, 0.0 3,-1.6 0, 0.0 4,-0.3 0.685 105.0 66.6 -16.8 -45.6 37.2 4.6 30.4 68 67 A E G 3 S+ 0 0 123 1,-0.3 3,-0.3 2,-0.1 -4,-0.0 0.723 100.4 50.5 -61.7 -21.3 36.3 4.9 34.2 69 68 A X G X> S+ 0 0 42 -3,-4.2 4,-1.1 1,-0.2 3,-0.6 0.120 71.9 106.9-108.3 21.7 33.0 3.0 33.5 70 69 A L H <> S+ 0 0 43 -3,-1.6 4,-1.3 1,-0.2 -1,-0.2 0.822 73.1 67.2 -64.5 -32.4 34.4 0.0 31.6 71 70 A G H 3> S+ 0 0 13 -3,-0.3 4,-2.1 -4,-0.3 -1,-0.2 0.819 95.9 52.0 -58.7 -35.5 33.7 -2.0 34.8 72 71 A L H <> S+ 0 0 6 -3,-0.6 4,-1.8 2,-0.2 -1,-0.2 0.908 109.1 51.4 -64.4 -40.7 29.9 -1.5 34.3 73 72 A A H X S+ 0 0 0 -4,-1.1 4,-0.9 1,-0.2 -2,-0.2 0.765 111.6 48.4 -63.1 -26.4 30.5 -2.8 30.8 74 73 A R H X S+ 0 0 71 -4,-1.3 4,-2.4 2,-0.2 -2,-0.2 0.796 105.6 55.1 -84.4 -35.0 32.3 -5.7 32.4 75 74 A X H X S+ 0 0 0 -4,-2.1 4,-2.9 2,-0.2 -2,-0.2 0.859 107.4 51.8 -64.3 -35.8 29.6 -6.4 35.0 76 75 A A H X S+ 0 0 10 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.862 107.4 52.4 -68.7 -35.8 27.2 -6.7 32.0 77 76 A A H X S+ 0 0 0 -4,-0.9 4,-3.5 2,-0.2 5,-0.3 0.915 110.4 48.5 -62.1 -46.0 29.6 -9.2 30.5 78 77 A A H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 6,-0.3 0.987 109.1 52.2 -54.2 -62.2 29.5 -11.1 33.7 79 78 A V H <>S+ 0 0 1 -4,-2.9 5,-2.3 1,-0.2 6,-0.3 0.855 120.1 34.9 -42.1 -46.2 25.7 -11.1 33.9 80 79 A N H ><5S+ 0 0 71 -4,-2.0 3,-2.0 2,-0.2 -1,-0.2 0.930 113.8 53.1 -84.4 -49.4 25.5 -12.4 30.4 81 80 A L H 3<5S+ 0 0 84 -4,-3.5 -2,-0.2 1,-0.3 -1,-0.2 0.848 111.0 53.2 -48.9 -33.1 28.5 -14.8 30.2 82 81 A S T 3<5S- 0 0 11 -4,-2.8 -1,-0.3 -5,-0.3 -2,-0.2 0.527 111.4-121.2 -84.0 -7.0 27.0 -16.3 33.4 83 82 A G T < 5S+ 0 0 58 -3,-2.0 3,-0.2 -5,-0.2 -3,-0.2 0.696 79.3 120.3 72.2 21.7 23.6 -16.9 31.9 84 83 A L >< + 0 0 10 -5,-2.3 4,-3.1 -6,-0.3 5,-0.5 0.113 22.7 115.3-107.6 22.9 22.0 -14.7 34.6 85 84 A K H > S+ 0 0 31 -6,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.976 81.1 45.9 -55.9 -56.6 20.4 -12.0 32.5 86 85 A Y H 4 S+ 0 0 100 1,-0.2 -1,-0.2 -3,-0.2 -2,-0.1 0.757 121.6 39.0 -59.5 -25.9 16.9 -12.9 33.6 87 86 A Q H 4 S+ 0 0 101 -3,-0.3 4,-0.5 -8,-0.1 -1,-0.2 0.920 122.3 33.5 -85.3 -48.5 17.9 -13.2 37.3 88 87 A A H X S+ 0 0 0 -4,-3.1 4,-3.4 1,-0.2 5,-0.2 0.701 92.7 82.5 -93.7 -26.7 20.4 -10.4 37.9 89 88 A N H X S+ 0 0 5 -4,-2.0 4,-2.7 -5,-0.5 5,-0.4 0.943 92.4 48.6 -48.6 -61.8 19.3 -7.4 35.7 90 89 A P H > S+ 0 0 74 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.932 117.2 43.6 -46.8 -52.0 16.7 -6.0 38.0 91 90 A A H > S+ 0 0 22 -4,-0.5 4,-2.7 2,-0.2 -2,-0.2 0.920 114.7 48.7 -57.7 -48.2 19.1 -6.2 40.9 92 91 A V H X S+ 0 0 0 -4,-3.4 4,-2.3 1,-0.2 5,-0.2 0.951 112.0 47.8 -59.5 -53.2 22.1 -4.8 39.0 93 92 A F H X>S+ 0 0 0 -4,-2.7 4,-3.2 1,-0.2 5,-0.7 0.890 112.5 51.4 -51.2 -44.1 20.1 -1.9 37.5 94 93 A K H X>S+ 0 0 78 -4,-2.2 5,-2.5 -5,-0.4 4,-1.6 0.962 108.9 48.4 -59.2 -54.3 18.8 -1.1 41.0 95 94 A A H <5S+ 0 0 0 -4,-2.7 6,-3.3 3,-0.2 -1,-0.2 0.855 120.9 37.5 -56.3 -39.9 22.3 -1.2 42.6 96 95 A V H X5S+ 0 0 13 -4,-2.3 4,-0.7 4,-0.2 -2,-0.2 0.959 128.5 27.3 -79.0 -56.4 23.6 1.2 39.9 97 96 A Y H <5S+ 0 0 42 -4,-3.2 -3,-0.2 -64,-0.4 -2,-0.2 0.911 133.8 27.8 -81.7 -43.7 20.8 3.5 39.2 98 97 A E T < + 0 0 134 1,-0.2 3,-1.3 -3,-0.1 7,-0.3 -0.581 42.1 162.3 -94.5 80.3 29.9 1.4 42.2 103 102 A L T 3 + 0 0 0 -2,-1.6 -1,-0.2 1,-0.3 6,-0.2 0.638 67.4 75.3 -72.6 -15.4 29.8 -2.0 40.5 104 103 A E T 3 S+ 0 0 45 -3,-0.2 2,-0.3 5,-0.1 -1,-0.3 0.803 85.2 81.7 -63.9 -26.2 32.5 -0.9 38.0 105 104 A N S <> S- 0 0 56 -3,-1.3 4,-2.1 1,-0.1 5,-0.1 -0.662 78.0-147.7 -78.1 136.1 34.7 -1.3 41.1 106 105 A R H > S+ 0 0 105 -2,-0.3 4,-1.9 2,-0.2 5,-0.3 0.906 94.4 50.9 -77.6 -44.5 35.7 -4.9 41.6 107 106 A S H > S+ 0 0 76 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.936 115.5 45.5 -55.8 -46.2 36.0 -4.9 45.4 108 107 A V H > S+ 0 0 44 -6,-0.2 4,-2.6 2,-0.2 5,-0.2 0.922 112.4 50.2 -63.3 -47.3 32.5 -3.4 45.6 109 108 A A H X S+ 0 0 0 -4,-2.1 4,-3.4 -7,-0.3 5,-0.3 0.987 109.1 49.3 -55.5 -69.4 31.0 -5.8 43.0 110 109 A G H X S+ 0 0 6 -4,-1.9 4,-1.8 1,-0.2 -1,-0.2 0.774 113.7 48.3 -38.5 -39.9 32.2 -9.0 44.6 111 110 A K H X S+ 0 0 152 -4,-1.4 4,-1.5 -5,-0.3 -1,-0.2 0.960 115.5 41.8 -70.7 -52.6 30.9 -7.8 47.9 112 111 A W H X S+ 0 0 23 -4,-2.6 4,-1.1 -3,-0.3 3,-0.4 0.933 113.3 54.5 -54.4 -50.9 27.4 -6.8 46.6 113 112 A A H >< S+ 0 0 1 -4,-3.4 3,-0.5 1,-0.3 8,-0.2 0.899 112.4 42.3 -55.8 -44.1 27.3 -9.9 44.4 114 113 A L H 3< S+ 0 0 108 -4,-1.8 -1,-0.3 -5,-0.3 -2,-0.2 0.708 109.8 57.6 -78.8 -20.5 27.9 -12.2 47.4 115 114 A S H 3< S+ 0 0 58 -4,-1.5 -1,-0.2 -3,-0.4 -2,-0.2 0.624 90.1 103.1 -79.1 -15.8 25.5 -10.2 49.6 116 115 A Q << - 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0 0 1 -2,-1.0 2,-0.4 -32,-0.9 78,-0.2 0.155 17.7-152.3 -31.6 137.1 14.0 16.6 12.4 255 63 B V + 0 0 3 76,-0.4 81,-0.2 77,-0.1 -1,-0.1 -0.993 33.1 148.1-117.6 132.7 13.1 15.5 8.9 256 64 B W + 0 0 39 -2,-0.4 -248,-0.1 1,-0.3 -1,-0.1 0.485 66.9 45.8-134.5 -31.8 13.5 11.7 8.2 257 65 B Q S > S- 0 0 16 -250,-0.3 3,-3.3 -249,-0.0 -1,-0.3 -0.988 82.4-126.8-121.9 121.5 10.8 11.0 5.6 258 66 B P T 3 S+ 0 0 103 0, 0.0 3,-0.2 0, 0.0 4,-0.1 0.417 109.2 61.1 -39.8 -1.9 10.3 13.4 2.7 259 67 B E T 3 S+ 0 0 134 1,-0.1 4,-0.1 2,-0.1 3,-0.1 0.237 89.0 68.6-112.1 11.3 6.6 13.7 3.7 260 68 B X <> + 0 0 0 -3,-3.3 4,-1.1 2,-0.1 -1,-0.1 0.129 68.7 94.4-112.2 18.2 7.3 15.1 7.1 261 69 B L H > S+ 0 0 38 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.887 73.9 69.5 -68.9 -41.1 8.6 18.4 5.7 262 70 B G H > S+ 0 0 15 1,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.878 101.3 45.1 -38.4 -48.9 5.1 19.7 6.2 263 71 B L H > S+ 0 0 4 2,-0.2 4,-1.5 1,-0.2 -1,-0.3 0.883 109.5 54.5 -68.7 -38.5 5.7 19.5 9.9 264 72 B A H X S+ 0 0 0 -4,-1.1 4,-2.8 2,-0.2 -2,-0.2 0.855 107.5 51.4 -62.0 -35.1 9.1 21.1 9.6 265 73 B R H X S+ 0 0 56 -4,-2.9 4,-4.0 2,-0.2 -1,-0.2 0.907 107.3 51.9 -67.3 -41.4 7.4 24.0 7.8 266 74 B X H X S+ 0 0 0 -4,-1.8 4,-2.1 -5,-0.3 -2,-0.2 0.778 111.2 48.5 -64.1 -26.3 4.9 24.2 10.7 267 75 B A H X S+ 0 0 3 -4,-1.5 4,-2.3 2,-0.2 -2,-0.2 0.892 112.0 48.6 -76.4 -44.0 8.0 24.4 12.9 268 76 B A H X S+ 0 0 0 -4,-2.8 4,-3.5 2,-0.2 5,-0.3 0.971 114.6 45.5 -54.5 -57.6 9.4 27.0 10.6 269 77 B A H X S+ 0 0 0 -4,-4.0 4,-4.2 1,-0.2 6,-0.3 0.949 111.9 49.9 -52.0 -58.7 6.1 29.0 10.8 270 78 B V H <>S+ 0 0 0 -4,-2.1 5,-1.1 1,-0.2 6,-0.6 0.900 117.2 43.1 -49.6 -44.6 5.7 28.6 14.5 271 79 B N H ><5S+ 0 0 76 -4,-2.3 3,-1.4 2,-0.2 -2,-0.2 0.962 118.0 42.0 -67.9 -55.2 9.2 29.9 15.0 272 80 B L H 3<5S+ 0 0 75 -4,-3.5 -2,-0.2 1,-0.3 -3,-0.2 0.914 110.9 58.1 -55.8 -44.6 9.1 32.7 12.5 273 81 B S T 3<5S- 0 0 10 -4,-4.2 -1,-0.3 -5,-0.3 -2,-0.2 0.559 106.3-131.1 -66.7 -8.3 5.7 33.7 13.6 274 82 B G T < 5S+ 0 0 60 -3,-1.4 3,-0.4 -4,-0.3 -3,-0.2 0.498 78.0 112.8 71.9 6.4 7.1 34.2 17.1 275 83 B L >>< + 0 0 12 -5,-1.1 4,-3.6 -6,-0.3 3,-1.7 0.126 27.4 116.1 -98.1 16.3 4.3 32.0 18.6 276 84 B K H 3> S+ 0 0 25 -6,-0.6 4,-1.3 1,-0.3 -1,-0.2 0.847 75.4 54.7 -59.8 -33.1 6.2 29.0 19.7 277 85 B Y H 34 S+ 0 0 100 -3,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.703 123.0 27.4 -70.3 -17.9 5.4 29.6 23.4 278 86 B Q H <4 S+ 0 0 113 -3,-1.7 4,-0.4 2,-0.1 -2,-0.2 0.630 122.8 46.7-118.4 -27.9 1.6 29.6 22.6 279 87 B A H X S+ 0 0 0 -4,-3.6 4,-3.1 2,-0.1 5,-0.2 0.844 96.3 77.2 -82.8 -37.4 1.3 27.5 19.5 280 88 B N H X S+ 0 0 6 -4,-1.3 4,-3.2 -5,-0.4 5,-0.3 0.873 93.3 42.5 -44.7 -66.4 3.5 24.6 20.8 281 89 B P H > S+ 0 0 67 0, 0.0 4,-3.0 0, 0.0 -1,-0.2 0.933 120.2 45.0 -54.0 -45.5 1.2 22.7 23.2 282 90 B A H > S+ 0 0 28 -4,-0.4 4,-1.4 2,-0.2 -2,-0.2 0.878 114.0 49.1 -63.1 -39.0 -1.7 23.1 20.8 283 91 B V H X S+ 0 0 0 -4,-3.1 4,-1.9 2,-0.2 -1,-0.2 0.940 114.5 45.5 -66.9 -46.4 0.4 22.0 17.7 284 92 B F H X>S+ 0 0 2 -4,-3.2 4,-2.2 -5,-0.2 5,-0.6 0.952 110.9 51.9 -57.2 -54.5 1.8 19.0 19.6 285 93 B K H <>S+ 0 0 96 -4,-3.0 5,-2.7 -5,-0.3 4,-0.4 0.828 110.1 51.5 -53.3 -32.4 -1.6 18.0 20.9 286 94 B A H <5S+ 0 0 0 -4,-1.4 6,-3.0 -5,-0.2 -1,-0.2 0.878 117.4 35.8 -77.4 -39.6 -2.9 18.1 17.4 287 95 B V H X5S+ 0 0 19 -4,-1.9 4,-0.8 -3,-0.3 -2,-0.2 0.983 128.4 28.3 -76.9 -62.0 -0.2 16.0 15.8 288 96 B Y T <5S+ 0 0 57 -4,-2.2 -3,-0.2 -64,-0.5 -2,-0.1 0.929 132.9 25.7 -73.7 -50.1 0.5 13.4 18.5 289 97 B E T 4 + 0 0 149 -2,-0.3 3,-1.1 1,-0.2 7,-0.3 -0.607 44.5 158.6 -94.5 86.1 -2.3 16.0 9.7 294 102 B L T 3 + 0 0 0 -2,-1.4 -1,-0.2 1,-0.3 -28,-0.2 0.431 67.0 86.0 -82.0 0.2 -0.6 19.3 9.6 295 103 B E T 3 S+ 0 0 67 -3,-0.1 2,-0.5 1,-0.1 -1,-0.3 0.916 84.4 67.3 -54.6 -41.6 1.8 17.3 7.4 296 104 B N S <> S- 0 0 69 -3,-1.1 4,-2.3 1,-0.1 -1,-0.1 -0.727 83.2-143.8 -92.6 122.5 -0.7 18.5 4.8 297 105 B R H > S+ 0 0 123 -2,-0.5 4,-2.5 1,-0.2 5,-0.2 0.834 95.3 54.0 -54.7 -50.6 -0.9 22.2 4.1 298 106 B S H > S+ 0 0 59 1,-0.2 4,-2.3 2,-0.2 3,-0.4 0.969 112.4 44.9 -46.5 -64.0 -4.6 22.6 3.5 299 107 B V H > S+ 0 0 53 1,-0.2 4,-2.2 2,-0.2 5,-0.3 0.894 109.0 56.9 -46.3 -51.8 -5.4 21.0 6.9 300 108 B A H X S+ 0 0 0 -4,-2.3 4,-3.7 -7,-0.3 -1,-0.2 0.916 110.9 43.8 -49.3 -49.2 -2.7 23.0 8.6 301 109 B G H X S+ 0 0 7 -4,-2.5 4,-2.7 -3,-0.4 5,-0.3 0.960 113.6 47.0 -62.9 -55.9 -4.3 26.3 7.4 302 110 B K H X S+ 0 0 164 -4,-2.3 4,-0.6 1,-0.2 -1,-0.2 0.728 118.1 46.3 -60.0 -23.6 -7.9 25.4 8.2 303 111 B W H >X S+ 0 0 20 -4,-2.2 4,-1.8 -5,-0.3 3,-0.6 0.932 108.5 53.8 -77.6 -55.3 -6.6 24.2 11.6 304 112 B A H 3< S+ 0 0 0 -4,-3.7 3,-0.2 1,-0.3 -2,-0.2 0.862 112.3 44.0 -47.2 -46.2 -4.5 27.3 12.2 305 113 B L H 3< S+ 0 0 110 -4,-2.7 -1,-0.3 1,-0.2 -2,-0.2 0.823 108.8 58.4 -71.7 -30.6 -7.5 29.6 11.7 306 114 B S H << S+ 0 0 65 -4,-0.6 -1,-0.2 -3,-0.6 -2,-0.2 0.813 85.5 105.5 -67.8 -29.3 -9.8 27.3 13.8 307 115 B Q < - 0 0 38 -4,-1.8 -3,-0.0 -3,-0.2 -4,-0.0 -0.036 49.5-170.1 -55.2 159.2 -7.5 27.7 16.8 308 116 B K S S+ 0 0 182 4,-0.0 -1,-0.1 0, 0.0 3,-0.1 0.154 70.3 70.3-138.2 10.5 -8.6 29.9 19.6 309 117 B G S S+ 0 0 54 1,-0.3 2,-0.3 2,-0.0 3,-0.1 0.445 107.1 5.6-116.7 -2.9 -5.5 30.2 21.8 310 118 B F S S- 0 0 21 1,-0.2 -1,-0.3 -31,-0.0 -35,-0.0 -0.950 88.4 -82.5-171.9 166.7 -3.2 32.3 19.6 311 119 B D + 0 0 93 -2,-0.3 -1,-0.2 1,-0.2 -2,-0.0 0.933 42.1 170.2 -50.1 -82.1 -3.3 34.3 16.4 312 120 B G S > S+ 0 0 0 1,-0.1 4,-1.5 -39,-0.1 -1,-0.2 0.276 71.3 80.0 81.8 -18.9 -2.7 31.6 13.7 313 121 B K H > S+ 0 0 136 2,-0.2 4,-1.7 3,-0.1 -1,-0.1 0.866 100.8 41.3 -69.5 -49.1 -3.6 34.3 11.2 314 122 B K H > S+ 0 0 61 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.944 112.8 54.1 -57.5 -51.4 -0.0 35.3 11.9 315 123 B L H > S+ 0 0 0 1,-0.3 4,-4.0 2,-0.2 -1,-0.2 0.939 108.9 46.8 -51.6 -53.6 1.1 31.7 11.9 316 124 B X H X S+ 0 0 13 -4,-1.5 4,-2.5 2,-0.2 -1,-0.3 0.830 110.5 54.9 -61.6 -31.5 -0.3 31.0 8.5 317 125 B R H < S+ 0 0 161 -4,-1.7 4,-0.2 2,-0.2 -2,-0.2 0.992 113.7 39.3 -61.6 -59.2 1.3 34.2 7.3 318 126 B A H >< S+ 0 0 17 -4,-2.9 3,-2.1 1,-0.2 6,-0.5 0.932 114.4 57.9 -52.9 -44.6 4.7 33.1 8.5 319 127 B Y H 3< S+ 0 0 6 -4,-4.0 -1,-0.2 -5,-0.3 -2,-0.2 0.900 105.1 47.5 -53.1 -47.6 3.8 29.6 7.3 320 128 B D T 3< S+ 0 0 85 -4,-2.5 -1,-0.3 -3,-0.2 -2,-0.2 0.333 93.8 111.8 -80.9 10.9 3.2 30.7 3.7 321 129 B S S <> S- 0 0 19 -3,-2.1 4,-2.2 -4,-0.2 5,-0.2 -0.440 76.4-125.3 -86.2 158.1 6.5 32.7 3.7 322 130 B P H > S+ 0 0 103 0, 0.0 4,-1.0 0, 0.0 -1,-0.1 0.775 115.1 58.1 -71.0 -26.4 9.7 31.9 1.6 323 131 B E H >> S+ 0 0 116 2,-0.2 4,-2.9 3,-0.1 3,-0.6 0.965 106.3 47.9 -59.9 -54.8 11.5 32.0 4.9 324 132 B A H 3> S+ 0 0 0 -6,-0.5 4,-1.9 1,-0.3 3,-0.2 0.952 110.5 49.3 -50.7 -60.7 9.2 29.2 6.2 325 133 B A H 3X S+ 0 0 38 -4,-2.2 4,-1.2 1,-0.2 -1,-0.3 0.754 114.7 47.5 -53.9 -26.6 9.6 27.0 3.1 326 134 B A H S+ 0 0 5 -4,-1.9 5,-1.7 -5,-0.3 4,-0.5 0.995 115.4 31.6 -58.6 -65.8 19.1 16.0 10.1 336 144 B E H ><5S+ 0 0 131 -4,-1.7 3,-1.2 1,-0.2 -2,-0.2 0.941 120.9 52.2 -58.0 -52.0 21.0 14.1 7.4 337 145 B Q H 3<5S+ 0 0 80 -4,-3.0 -1,-0.2 -5,-0.3 -2,-0.2 0.901 119.9 33.4 -54.5 -43.2 24.1 16.2 7.6 338 146 B Y H 3<5S- 0 0 37 -4,-2.3 -1,-0.3 -5,-0.3 -2,-0.2 0.196 104.6-119.3-108.0 17.7 24.4 15.8 11.4 339 147 B R T <<5 + 0 0 61 -3,-1.2 2,-0.6 -4,-0.5 -3,-0.2 0.870 43.5 173.8 51.5 44.7 23.1 12.3 11.9 340 148 B I < + 0 0 11 -5,-1.7 -1,-0.2 -6,-0.3 3,-0.1 -0.782 10.3 155.6 -76.6 119.9 20.2 13.3 14.1 341 149 B D + 0 0 28 -2,-0.6 2,-0.3 1,-0.2 -1,-0.1 0.090 52.6 41.1-140.3 26.3 18.3 10.0 14.6 342 150 B S S S- 0 0 26 -178,-0.1 -1,-0.2 -177,-0.0 -121,-0.1 -0.918 80.2 -97.9-168.1 146.0 16.4 10.3 17.8 343 151 B T S S+ 0 0 15 -2,-0.3 -115,-0.2 1,-0.2 -114,-0.2 -0.973 91.9 30.4-131.6 146.2 14.4 12.9 19.5 344 152 B P S S+ 0 0 8 0, 0.0 2,-0.4 0, 0.0 -1,-0.2 0.457 71.5 170.3 -84.9 145.1 14.7 14.9 21.5 345 153 B T E -H 221 0B 4 -124,-1.7 -124,-2.5 -2,-0.1 2,-0.6 -0.967 14.7-161.0-111.5 131.1 18.4 15.5 20.9 346 154 B V E -H 220 0B 0 -2,-0.4 8,-3.7 8,-0.4 2,-0.6 -0.912 10.4-178.3-124.3 109.7 19.8 18.5 22.8 347 155 B I E -HI 219 353B 2 -128,-1.7 -128,-2.9 -2,-0.6 2,-1.2 -0.904 18.7-147.2-101.7 123.4 23.1 20.1 21.7 348 156 B V S > S- 0 0 0 4,-3.3 3,-0.6 -2,-0.6 4,-0.4 -0.687 72.3 -28.2 -95.4 80.7 24.3 23.0 23.9 349 157 B G T 3 S- 0 0 6 -2,-1.2 -1,-0.1 1,-0.3 -131,-0.0 0.872 112.5 -56.6 51.4 88.5 26.0 25.4 21.5 350 158 B G E 3 S+F 208 0B 10 -142,-0.6 -142,-3.2 1,-0.1 -1,-0.3 -0.685 128.2 40.9-127.4 41.4 27.0 23.8 19.3 351 159 B K E < S+ 0 0 58 -3,-0.6 -147,-1.7 -144,-0.2 2,-0.6 0.464 86.5 85.8-136.8 -14.9 29.3 21.0 20.4 352 160 B Y E -F 203 0B 5 -4,-0.4 -4,-3.3 -149,-0.2 2,-0.5 -0.892 56.1-160.9-104.6 119.6 27.8 19.5 23.6 353 161 B R E -FI 202 347B 25 -151,-2.3 -151,-2.4 -2,-0.6 -6,-0.2 -0.865 21.1-127.3-102.4 121.4 25.2 16.7 23.2 354 162 B V E -F 201 0B 2 -8,-3.7 2,-0.5 -2,-0.5 -8,-0.4 -0.381 12.9-153.6 -73.2 141.6 23.1 16.1 26.2 355 163 B I - 0 0 8 -155,-1.8 2,-1.2 -2,-0.1 3,-0.2 -0.968 0.3-160.6-114.6 116.0 22.7 12.7 27.8 356 164 B F > + 0 0 22 -2,-0.5 3,-1.6 1,-0.2 -319,-0.2 -0.403 31.2 152.9 -91.4 57.4 19.4 12.2 29.6 357 165 B N T 3 S+ 0 0 14 -2,-1.2 -321,-2.8 -158,-0.4 -1,-0.2 0.513 77.5 37.7 -74.0 -1.0 20.5 9.2 31.7 358 166 B N T 3 S- 0 0 76 1,-0.4 4,-0.4 -323,-0.2 -1,-0.3 -0.195 128.2 -64.6-140.3 52.1 18.1 10.2 34.4 359 167 B G <> - 0 0 4 -3,-1.6 4,-0.7 2,-0.2 -1,-0.4 0.318 43.7 -94.4 94.3 148.8 15.1 11.4 32.5 360 168 B F T >4 S+ 0 0 30 1,-0.2 3,-0.9 2,-0.2 4,-0.4 0.871 125.9 59.9 -64.9 -34.4 14.2 14.3 30.2 361 169 B D T >4 S+ 0 0 112 1,-0.2 3,-0.9 2,-0.2 4,-0.4 0.896 102.6 53.8 -54.6 -38.9 13.0 16.2 33.2 362 170 B G T 3> S+ 0 0 22 -4,-0.4 4,-1.0 -3,-0.3 3,-0.4 0.717 93.7 73.3 -68.9 -20.1 16.6 15.8 34.6 363 171 B G H S+ 0 0 34 -3,-0.9 4,-2.2 -4,-0.4 -1,-0.2 0.934 101.4 49.5 -65.0 -43.5 17.0 21.0 32.1 365 173 B H H > S+ 0 0 106 -4,-0.4 4,-1.5 -3,-0.4 -2,-0.2 0.901 112.3 47.3 -58.1 -44.0 19.5 21.0 35.0 366 174 B T H X S+ 0 0 11 -4,-1.0 4,-1.6 2,-0.2 -2,-0.2 0.907 109.1 53.0 -69.5 -39.6 22.3 19.6 32.7 367 175 B I H X S+ 0 0 0 -4,-2.6 4,-2.0 1,-0.2 3,-0.2 0.924 107.6 53.9 -59.1 -40.9 21.5 22.1 30.0 368 176 B K H X S+ 0 0 107 -4,-2.2 4,-1.0 1,-0.2 -1,-0.2 0.840 108.2 47.7 -63.4 -34.1 21.8 24.8 32.6 369 177 B E H X S+ 0 0 79 -4,-1.5 4,-2.0 1,-0.2 -1,-0.2 0.751 109.1 56.1 -77.3 -21.1 25.3 23.5 33.6 370 178 B L H X S+ 0 0 0 -4,-1.6 4,-2.3 -3,-0.2 5,-0.2 0.834 101.8 52.9 -79.8 -33.0 26.2 23.4 29.9 371 179 B V H X S+ 0 0 14 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.846 110.4 51.6 -67.4 -29.9 25.4 27.0 29.3 372 180 B A H X S+ 0 0 37 -4,-1.0 4,-2.1 -5,-0.2 5,-0.3 0.929 106.4 53.4 -66.5 -47.2 27.8 27.6 32.3 373 181 B K H X S+ 0 0 66 -4,-2.0 4,-2.2 1,-0.2 5,-0.3 0.975 113.1 41.5 -49.8 -63.1 30.5 25.5 30.6 374 182 B V H X S+ 0 0 6 -4,-2.3 4,-4.2 1,-0.2 -1,-0.2 0.925 108.7 63.7 -53.9 -46.9 30.4 27.5 27.4 375 183 B R H < S+ 0 0 108 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.916 115.7 27.0 -38.1 -71.9 30.1 30.7 29.5 376 184 B E H < S+ 0 0 173 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.988 122.5 52.4 -57.7 -65.3 33.6 30.2 31.1 377 185 B E H < 0 0 106 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.865 360.0 360.0 -31.9 -56.8 35.1 28.2 28.3 378 186 B R < 0 0 147 -4,-4.2 -1,-0.3 -5,-0.3 -2,-0.2 0.261 360.0 360.0 -78.7 360.0 34.1 30.9 25.8