==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-FEB-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN 12-MAY-10 3MZ9 . COMPND 2 MOLECULE: NICKEL-BINDING PERIPLASMIC PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR C.CAVAZZA,C.BOCHOT,P.ROUSSELOT-PAILLEY,P.CARPENTIER,M.V.CHER . 997 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 39046.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 683 68.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 36 3.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 156 15.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 8 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 87 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 118 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 230 23.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 1 5 2 2 3 2 7 0 2 2 0 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 0 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 PARALLEL BRIDGES PER LADDER . 4 6 2 2 10 2 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 4 2 4 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 A > 0 0 99 0, 0.0 3,-1.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 76.3 18.1 17.3 58.0 2 3 A P T 3 + 0 0 111 0, 0.0 3,-0.0 0, 0.0 0, 0.0 0.243 360.0 62.0 -84.3 11.4 19.4 17.6 54.4 3 4 A D T 3 S+ 0 0 55 187,-0.1 188,-3.6 495,-0.1 189,-1.3 0.126 93.3 72.7-120.1 12.7 19.7 13.8 54.2 4 5 A E E < -a 192 0A 83 -3,-1.1 2,-0.3 187,-0.2 189,-0.2 -0.999 63.3-174.7-125.6 127.2 16.0 13.1 54.7 5 6 A I E -a 193 0A 2 187,-2.4 189,-2.4 -2,-0.4 2,-0.4 -0.892 15.2-148.2-120.9 158.6 13.4 13.8 52.0 6 7 A T E +a 194 0A 37 -2,-0.3 208,-3.8 187,-0.2 209,-1.0 -0.983 26.8 156.6-125.3 129.1 9.7 13.7 51.8 7 8 A T E -a 195 0A 4 187,-3.4 189,-2.6 -2,-0.4 2,-0.3 -0.516 27.8-116.7-133.4-161.1 7.8 12.9 48.6 8 9 A A E -a 196 0A 5 207,-0.4 209,-0.3 187,-0.3 189,-0.2 -0.988 17.5-177.8-149.9 154.3 4.4 11.5 47.5 9 10 A W E -a 197 0A 53 187,-1.9 189,-2.4 -2,-0.3 4,-0.0 -0.967 36.0-121.8-148.3 149.0 2.7 8.6 45.8 10 11 A P S S+ 0 0 50 0, 0.0 2,-0.3 0, 0.0 187,-0.1 0.783 95.6 15.0 -68.5 -23.3 -1.1 8.2 45.1 11 12 A V S S- 0 0 71 187,-0.1 187,-0.1 1,-0.1 160,-0.0 -0.859 94.8 -81.2-136.4 168.8 -1.2 4.9 47.1 12 13 A N - 0 0 21 -2,-0.3 -1,-0.1 1,-0.1 163,-0.1 -0.244 46.4-108.8 -61.9 164.2 0.9 3.0 49.6 13 14 A V - 0 0 0 1,-0.2 12,-2.1 182,-0.1 3,-0.4 0.684 54.2-135.8 -74.5 -12.4 3.8 1.0 48.2 14 15 A G - 0 0 20 10,-0.2 -1,-0.2 1,-0.2 10,-0.1 -0.376 46.8 -41.3 85.1-170.8 1.9 -2.3 49.0 15 16 A P S S- 0 0 76 0, 0.0 -1,-0.2 0, 0.0 9,-0.1 0.678 70.2-129.3 -64.7 -20.5 3.4 -5.5 50.7 16 17 A L + 0 0 0 -3,-0.4 -2,-0.1 1,-0.3 150,-0.1 0.866 41.7 169.1 62.2 42.0 6.6 -5.3 48.6 17 18 A N > - 0 0 5 4,-0.2 3,-1.1 1,-0.1 -1,-0.3 -0.758 29.0-148.0 -71.1 118.7 6.4 -8.9 47.5 18 19 A P T 3 S+ 0 0 0 0, 0.0 121,-0.3 0, 0.0 -1,-0.1 0.693 91.4 48.8 -64.4 -17.6 9.2 -8.9 44.8 19 20 A H T 3 S+ 0 0 3 117,-0.1 2,-0.2 132,-0.1 117,-0.1 0.337 100.8 68.5-110.8 3.6 7.3 -11.5 42.8 20 21 A L < - 0 0 28 -3,-1.1 132,-0.0 1,-0.2 70,-0.0 -0.654 61.2-143.4-120.2 177.0 3.7 -10.2 42.6 21 22 A Y > + 0 0 31 1,-0.4 3,-2.7 -2,-0.2 -1,-0.2 0.260 56.1 54.3-112.2-131.5 1.9 -7.2 40.9 22 23 A T T 3 S+ 0 0 110 1,-0.3 -1,-0.4 -8,-0.1 3,-0.1 -0.173 110.1 22.6 -46.0 137.0 -1.0 -5.0 42.2 23 24 A P T 3 S+ 0 0 76 0, 0.0 -1,-0.3 0, 0.0 2,-0.2 -0.913 105.2 94.6 -91.0 17.0 -1.0 -3.6 44.8 24 25 A N S < S- 0 0 6 -3,-2.7 2,-0.5 -10,-0.1 -10,-0.2 -0.485 71.0-136.2 -65.1 135.8 2.8 -3.6 44.8 25 26 A Q >> - 0 0 44 -12,-2.1 4,-2.0 -2,-0.2 3,-0.8 -0.863 6.1-142.0-100.4 125.5 4.3 -0.5 43.4 26 27 A M H 3> S+ 0 0 41 -2,-0.5 4,-2.6 1,-0.3 5,-0.2 0.822 96.5 57.7 -58.6 -42.3 7.2 -1.1 41.0 27 28 A F H 3> S+ 0 0 4 1,-0.2 4,-0.7 2,-0.2 464,-0.3 0.880 111.1 46.1 -57.1 -35.9 9.4 1.8 42.0 28 29 A A H X> S+ 0 0 0 -3,-0.8 4,-1.4 2,-0.2 3,-0.6 0.891 108.1 52.6 -78.1 -43.1 9.3 0.5 45.6 29 30 A Q H 3X S+ 0 0 0 -4,-2.0 4,-2.9 1,-0.2 3,-0.5 0.929 110.3 52.2 -53.8 -41.9 10.0 -3.1 44.7 30 31 A S H 3< S+ 0 0 18 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.719 103.7 57.5 -67.7 -22.1 13.0 -1.7 42.7 31 32 A M H << S+ 0 0 2 -4,-0.7 133,-1.4 -3,-0.6 -1,-0.2 0.841 120.0 26.5 -72.9 -33.2 14.2 0.2 45.8 32 33 A V H < S+ 0 0 2 -4,-1.4 130,-2.7 -3,-0.5 129,-0.4 0.807 116.7 57.5-101.0 -39.8 14.5 -2.9 48.0 33 34 A Y < - 0 0 1 -4,-2.9 108,-0.1 -5,-0.3 -1,-0.1 -0.758 63.8-157.0-108.2 149.6 15.1 -5.7 45.5 34 35 A E - 0 0 7 106,-0.3 106,-1.1 -2,-0.3 2,-0.1 -0.837 9.2-128.9-127.9 154.9 17.9 -6.2 43.0 35 36 A P - 0 0 3 0, 0.0 14,-1.4 0, 0.0 15,-0.1 -0.469 24.8-116.9 -95.8 167.5 18.5 -8.1 39.7 36 37 A L S S+ 0 0 0 102,-0.4 14,-2.6 96,-0.4 12,-1.5 0.872 106.1 21.2 -64.9 -39.8 21.3 -10.4 38.6 37 38 A V E S-D 47 0B 0 10,-0.2 2,-0.4 11,-0.2 -1,-0.2 -0.967 83.4-131.4-134.3 145.9 22.2 -7.9 35.8 38 39 A K E -D 46 0B 59 8,-2.4 8,-2.3 -2,-0.3 2,-0.2 -0.843 16.1-122.8-111.4 133.2 21.3 -4.2 35.6 39 40 A Y E -D 45 0B 17 -2,-0.4 2,-0.3 94,-0.4 6,-0.2 -0.470 26.7-161.1 -71.0 135.5 19.8 -2.3 32.7 40 41 A Q > - 0 0 28 4,-2.5 3,-2.3 -2,-0.2 445,-0.0 -0.855 32.1-110.1-115.0 155.3 21.7 0.7 31.4 41 42 A A T 3 S+ 0 0 58 -2,-0.3 943,-0.1 1,-0.3 -1,-0.1 0.803 114.3 64.1 -52.7 -30.0 20.5 3.6 29.2 42 43 A D T 3 S- 0 0 29 1,-0.1 -1,-0.3 941,-0.1 942,-0.2 0.478 118.9-105.2 -77.0 -2.1 22.5 2.2 26.2 43 44 A G S < S+ 0 0 25 -3,-2.3 -2,-0.1 1,-0.4 2,-0.1 0.241 87.8 108.8 98.9 -12.5 20.4 -1.0 26.0 44 45 A S - 0 0 34 -5,-0.1 -4,-2.5 85,-0.0 -1,-0.4 -0.372 62.9-130.2 -85.4 169.2 23.0 -3.2 27.5 45 46 A V E -D 39 0B 26 -6,-0.2 -6,-0.2 -2,-0.1 85,-0.1 -0.910 16.1-151.2-115.4 151.8 23.1 -4.8 30.9 46 47 A I E -D 38 0B 51 -8,-2.3 -8,-2.4 -2,-0.3 6,-0.1 -0.787 34.3 -84.5-112.2 160.8 26.0 -4.6 33.4 47 48 A P E +D 37 0B 57 0, 0.0 4,-0.2 0, 0.0 -10,-0.2 -0.366 57.9 151.9 -59.3 145.0 27.0 -7.1 36.0 48 49 A W S S- 0 0 48 -12,-1.5 -11,-0.2 2,-1.4 -12,-0.2 0.107 75.5 -4.8-136.7-102.9 25.1 -6.6 39.3 49 50 A L S S+ 0 0 0 -14,-1.4 18,-2.6 17,-0.1 2,-0.6 0.804 136.6 57.8 -69.1 -27.3 24.4 -9.5 41.7 50 51 A A E S-E 66 0C 0 -14,-2.6 -2,-1.4 16,-0.3 16,-0.3 -0.908 72.1-165.4 -97.1 124.0 26.0 -11.7 39.1 51 52 A K E - 0 0 112 14,-1.8 2,-0.3 -2,-0.6 15,-0.2 0.796 69.2 -6.2 -80.3 -24.8 29.5 -10.5 38.3 52 53 A S E -E 65 0C 54 13,-1.6 13,-2.9 -6,-0.1 2,-0.3 -0.970 61.0-168.2-158.3 171.1 29.8 -12.6 35.1 53 54 A W E -E 64 0C 64 -2,-0.3 2,-0.3 11,-0.3 11,-0.2 -0.991 5.9-166.4-161.2 158.0 28.1 -15.2 32.9 54 55 A T E -E 63 0C 95 9,-1.8 9,-3.0 -2,-0.3 2,-0.3 -0.935 11.4-149.1-139.8 161.2 28.4 -17.6 29.9 55 56 A H E -E 62 0C 93 -2,-0.3 7,-0.2 7,-0.2 4,-0.1 -0.947 21.8-109.9-129.5 156.3 26.0 -19.5 27.8 56 57 A S - 0 0 25 5,-2.7 -1,-0.1 -2,-0.3 7,-0.0 0.162 45.4 -82.8 -68.7-163.6 26.3 -22.9 26.0 57 58 A E S S+ 0 0 169 2,-0.1 2,-0.2 3,-0.0 -2,-0.1 0.853 127.2 45.9 -49.6 -77.1 26.4 -23.4 22.2 58 59 A D S > S- 0 0 76 0, 0.0 2,-1.6 0, 0.0 3,-0.9 -0.285 104.9-120.3 64.5 73.2 23.2 -23.3 21.8 59 60 A G T 3 S+ 0 0 17 1,-0.2 66,-0.3 -2,-0.2 -2,-0.1 -0.098 90.7 95.8 -75.6 40.9 22.1 -20.3 23.8 60 61 A K T 3 S+ 0 0 81 -2,-1.6 61,-3.3 1,-0.2 2,-0.5 0.725 72.6 57.3-102.8 -28.4 19.8 -22.4 26.0 61 62 A T E < - F 0 120C 40 -3,-0.9 -5,-2.7 59,-0.2 2,-0.4 -0.934 65.4-175.6-109.9 123.0 22.0 -23.1 29.1 62 63 A W E -EF 55 119C 29 57,-3.1 57,-3.0 -2,-0.5 2,-0.5 -0.957 9.0-163.1-120.7 138.9 23.3 -20.0 31.0 63 64 A T E -EF 54 118C 22 -9,-3.0 -9,-1.8 -2,-0.4 2,-0.4 -0.972 7.1-162.2-125.9 117.5 25.7 -20.0 33.9 64 65 A F E -EF 53 117C 0 53,-3.6 53,-3.0 -2,-0.5 2,-0.6 -0.831 11.4-147.2 -99.6 134.7 26.1 -17.0 36.2 65 66 A T E -EF 52 116C 34 -13,-2.9 -14,-1.8 -2,-0.4 -13,-1.6 -0.910 27.2-150.5 -96.5 118.1 29.0 -16.4 38.5 66 67 A L E -E 50 0C 1 49,-3.4 -16,-0.3 -2,-0.6 -17,-0.1 -0.587 18.5 -99.2 -93.0 151.1 27.5 -14.5 41.5 67 68 A R - 0 0 70 -18,-2.6 -1,-0.1 -2,-0.2 3,-0.1 -0.260 24.7-152.8 -52.3 150.5 29.2 -12.0 43.9 68 69 A D S S+ 0 0 126 1,-0.1 -1,-0.1 11,-0.1 -19,-0.0 0.302 83.5 63.2-112.5 8.3 30.3 -13.5 47.1 69 70 A D S S+ 0 0 78 8,-0.0 2,-0.4 2,-0.0 -1,-0.1 0.313 72.5 113.9-115.8 7.0 30.0 -10.4 49.3 70 71 A V - 0 0 4 8,-0.3 8,-2.5 -21,-0.1 2,-0.4 -0.663 38.7-175.7 -91.4 131.1 26.3 -9.6 49.2 71 72 A K B -H 77 0D 117 -2,-0.4 113,-0.2 111,-0.3 5,-0.1 -0.944 27.7-118.2-117.3 145.7 24.0 -9.9 52.3 72 73 A F > - 0 0 4 4,-3.0 3,-2.3 -2,-0.4 89,-0.3 -0.366 43.9 -98.8 -64.8 159.1 20.3 -9.4 52.5 73 74 A S T 3 S+ 0 0 26 87,-3.0 88,-0.1 1,-0.3 -1,-0.1 0.695 124.7 59.7 -60.3 -20.1 19.3 -6.5 54.8 74 75 A N T 3 S- 0 0 62 86,-0.2 -1,-0.3 2,-0.1 87,-0.1 0.249 121.8-104.4 -90.8 7.8 18.7 -9.0 57.6 75 76 A G S < S+ 0 0 41 -3,-2.3 -2,-0.1 1,-0.3 -1,-0.0 0.173 79.1 131.2 91.0 -13.7 22.3 -10.2 57.5 76 77 A E - 0 0 75 1,-0.1 -4,-3.0 -5,-0.1 -1,-0.3 -0.356 62.7-100.3 -68.8 148.1 21.6 -13.5 55.7 77 78 A P B -H 71 0D 74 0, 0.0 2,-0.6 0, 0.0 -6,-0.2 -0.422 18.0-139.5 -75.1 144.1 23.7 -14.3 52.7 78 79 A F + 0 0 6 -8,-2.5 -8,-0.3 -2,-0.1 2,-0.3 -0.904 45.5 144.5 -89.9 126.3 22.8 -13.8 49.1 79 80 A D > - 0 0 33 -2,-0.6 4,-2.4 -10,-0.1 36,-0.2 -0.854 66.2 -81.6-148.4-176.6 24.1 -16.9 47.2 80 81 A A H > S+ 0 0 0 34,-2.3 4,-3.0 -2,-0.3 5,-0.2 0.870 126.7 53.9 -63.6 -35.5 23.3 -19.2 44.3 81 82 A E H > S+ 0 0 127 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.945 109.2 47.5 -62.5 -48.2 20.9 -21.2 46.6 82 83 A A H > S+ 0 0 4 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.923 114.4 47.5 -57.2 -44.2 19.0 -18.1 47.6 83 84 A A H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.940 111.2 50.2 -65.3 -45.7 18.8 -17.0 44.0 84 85 A A H X S+ 0 0 10 -4,-3.0 4,-2.2 1,-0.2 -1,-0.2 0.887 107.9 53.4 -58.8 -40.9 17.6 -20.5 42.8 85 86 A E H X S+ 0 0 59 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.856 107.0 52.9 -62.6 -39.0 14.9 -20.5 45.5 86 87 A N H X S+ 0 0 2 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.925 107.1 50.6 -61.1 -47.5 13.6 -17.2 44.3 87 88 A F H X S+ 0 0 3 -4,-2.1 4,-2.7 1,-0.2 -2,-0.2 0.919 111.1 49.8 -57.7 -43.8 13.4 -18.5 40.7 88 89 A R H X S+ 0 0 74 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.939 109.9 50.4 -57.0 -48.8 11.4 -21.5 42.0 89 90 A A H < S+ 0 0 0 -4,-2.5 62,-0.3 1,-0.2 63,-0.2 0.871 113.3 45.9 -60.8 -39.9 9.1 -19.3 44.0 90 91 A V H >< S+ 0 0 2 -4,-2.4 3,-1.7 1,-0.2 -1,-0.2 0.942 114.5 46.5 -64.9 -49.1 8.4 -17.1 40.9 91 92 A L H >< S+ 0 0 20 -4,-2.7 3,-1.3 1,-0.3 -2,-0.2 0.628 95.9 71.8 -77.8 -11.4 7.9 -20.0 38.5 92 93 A D T 3< S+ 0 0 71 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.650 105.1 43.7 -67.0 -15.9 5.6 -21.8 41.0 93 94 A N T X> S+ 0 0 31 -3,-1.7 3,-1.8 -4,-0.2 4,-0.5 -0.112 79.2 145.2-116.3 33.0 3.2 -19.0 39.9 94 95 A R G X4 + 0 0 90 -3,-1.3 3,-1.4 1,-0.3 -1,-0.1 0.747 61.8 58.5 -47.3 -43.1 4.1 -19.3 36.2 95 96 A Q G >4 S+ 0 0 156 1,-0.3 3,-1.2 2,-0.2 -1,-0.3 0.810 98.5 59.3 -61.1 -31.6 0.7 -18.5 34.8 96 97 A R G <4 S+ 0 0 122 -3,-1.8 -1,-0.3 1,-0.2 3,-0.2 0.682 106.1 50.5 -70.8 -14.9 0.6 -15.1 36.5 97 98 A H G X< S+ 0 0 0 -3,-1.4 3,-2.1 -4,-0.5 6,-0.4 0.149 71.9 117.5-109.0 17.2 3.8 -14.2 34.6 98 99 A A T < + 0 0 26 -3,-1.2 -1,-0.2 1,-0.3 6,-0.1 0.806 66.2 66.4 -54.4 -37.9 2.5 -15.2 31.1 99 100 A W T 3 S+ 0 0 52 -3,-0.2 2,-0.7 -4,-0.2 -1,-0.3 0.776 95.2 65.7 -54.3 -28.0 2.9 -11.7 29.8 100 101 A L S X S- 0 0 1 -3,-2.1 3,-1.8 1,-0.1 4,-0.4 -0.872 74.9-155.4-106.9 109.8 6.7 -12.1 30.2 101 102 A E T >> S+ 0 0 22 -2,-0.7 3,-1.6 1,-0.3 4,-0.8 0.769 88.0 68.6 -62.4 -28.0 8.0 -14.7 27.8 102 103 A L H >> S+ 0 0 0 1,-0.3 4,-1.7 2,-0.2 3,-0.8 0.856 93.8 60.5 -54.1 -36.6 11.1 -15.5 30.0 103 104 A A H <4 S+ 0 0 0 -3,-1.8 -1,-0.3 -6,-0.4 -2,-0.2 0.712 106.5 45.0 -66.6 -22.2 8.6 -17.0 32.5 104 105 A N H <4 S+ 0 0 41 -3,-1.6 -1,-0.2 -4,-0.4 -2,-0.2 0.564 113.0 54.2 -91.4 -9.5 7.5 -19.6 29.8 105 106 A Q H << S+ 0 0 12 -4,-0.8 17,-2.8 -3,-0.8 2,-0.4 0.726 78.1 97.9 -98.6 -31.0 11.1 -20.3 28.8 106 107 A I E < +G 121 0C 3 -4,-1.7 15,-0.3 15,-0.2 3,-0.1 -0.540 37.9 170.6 -71.4 121.2 12.8 -21.3 32.0 107 108 A V E - 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C 0 891M 0 210,-2.8 2,-1.0 -2,-0.5 139,-0.2 -0.881 14.9-123.1-104.6 132.5 24.2 36.6 16.1 753 254 B N > - 0 0 4 137,-2.8 3,-1.4 -2,-0.4 168,-0.2 -0.604 22.8-174.3 -81.3 102.3 27.0 39.2 16.6 754 255 B T T 3 S+ 0 0 2 166,-2.8 -1,-0.2 -2,-1.0 167,-0.1 0.584 82.4 58.0 -71.5 -8.3 25.7 41.7 19.1 755 256 B A T 3 S+ 0 0 59 164,-0.3 2,-0.4 165,-0.2 -1,-0.3 0.314 97.5 68.2-102.7 6.0 28.9 43.8 18.5 756 257 B K S X> S- 0 0 73 -3,-1.4 4,-0.7 164,-0.1 3,-0.6 -0.993 90.7 -75.8-132.7 131.7 28.4 44.4 14.8 757 258 B A T 34 S+ 0 0 73 -2,-0.4 -2,-0.1 1,-0.3 -4,-0.0 -0.358 107.9 10.0 -60.1 141.1 25.8 46.4 12.8 758 259 B P T >4 S+ 0 0 10 0, 0.0 3,-1.8 0, 0.0 -1,-0.3 -0.982 126.8 54.6 -93.0 -0.9 22.9 45.6 12.3 759 260 B T T <4 S+ 0 0 0 -3,-0.6 -2,-0.2 1,-0.3 6,-0.1 0.538 90.4 80.3 -70.8 -3.8 22.8 42.6 14.6 760 261 B N T 3< S+ 0 0 75 -4,-0.7 2,-0.5 -5,-0.1 -1,-0.3 0.714 77.7 87.7 -67.9 -19.7 24.0 44.9 17.4 761 262 B E S <> S- 0 0 41 -3,-1.8 4,-2.1 -5,-0.2 3,-0.5 -0.739 72.3-149.1 -89.0 120.9 20.3 46.0 17.6 762 263 B L H > S+ 0 0 77 -2,-0.5 4,-2.8 1,-0.2 5,-0.2 0.868 98.7 54.8 -50.8 -44.0 18.1 43.9 19.9 763 264 B A H > S+ 0 0 22 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.852 106.8 50.9 -64.5 -33.7 15.1 44.6 17.8 764 265 B V H > S+ 0 0 0 -3,-0.5 4,-2.5 -6,-0.3 -2,-0.2 0.947 111.9 46.9 -66.6 -46.7 16.9 43.3 14.7 765 266 B R H X S+ 0 0 9 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.883 113.2 48.3 -64.0 -43.1 17.9 40.0 16.6 766 267 B E H X S+ 0 0 59 -4,-2.8 4,-1.0 2,-0.2 -1,-0.2 0.930 111.3 51.2 -58.0 -47.5 14.3 39.6 17.9 767 268 B A H >X S+ 0 0 0 -4,-2.3 4,-1.1 1,-0.2 3,-0.7 0.902 108.3 51.5 -58.1 -42.7 13.0 40.1 14.4 768 269 B L H >X S+ 0 0 0 -4,-2.5 4,-0.8 1,-0.2 3,-0.6 0.915 106.1 55.3 -61.8 -39.3 15.4 37.5 13.0 769 270 B N H 3< S+ 0 0 12 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.716 111.3 44.4 -66.0 -21.8 14.2 35.1 15.6 770 271 B Y H << S+ 0 0 33 -4,-1.0 40,-2.9 -3,-0.7 -1,-0.2 0.622 103.9 68.2 -90.6 -16.6 10.6 35.6 14.4 771 272 B A H << S+ 0 0 1 -4,-1.1 2,-0.4 -3,-0.6 -2,-0.2 0.679 78.1 84.7 -82.5 -24.1 11.5 35.4 10.7 772 273 B V < - 0 0 2 -4,-0.8 2,-1.4 36,-0.1 3,-0.2 -0.708 65.4-145.0 -90.4 127.9 12.5 31.7 10.3 773 274 B N > - 0 0 44 -2,-0.4 4,-2.4 1,-0.2 5,-0.2 -0.744 24.3-179.6 -84.5 88.9 9.9 29.0 9.6 774 275 B K H > S+ 0 0 13 -2,-1.4 4,-2.5 2,-0.2 5,-0.2 0.877 75.8 55.9 -62.9 -42.0 11.9 26.4 11.6 775 276 B K H > S+ 0 0 130 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.956 113.1 41.4 -54.2 -52.4 9.3 23.6 10.9 776 277 B S H > S+ 0 0 45 1,-0.2 4,-2.3 2,-0.2 5,-0.3 0.860 111.1 56.5 -65.5 -38.1 9.6 24.1 7.2 777 278 B L H X>S+ 0 0 0 -4,-2.4 4,-3.3 1,-0.2 5,-0.7 0.922 109.2 47.0 -58.3 -44.3 13.4 24.5 7.4 778 279 B I H X5S+ 0 0 5 -4,-2.5 6,-2.7 1,-0.2 4,-1.2 0.902 112.2 49.3 -68.5 -40.0 13.6 21.1 9.0 779 280 B D H <5S+ 0 0 89 -4,-2.2 -1,-0.2 4,-0.3 -2,-0.2 0.868 122.2 34.0 -62.6 -36.0 11.2 19.5 6.4 780 281 B N H <5S+ 0 0 116 -4,-2.3 -2,-0.2 3,-0.2 -3,-0.2 0.883 130.6 26.9 -90.8 -45.8 13.3 20.9 3.6 781 282 B A H <5S+ 0 0 13 -4,-3.3 -56,-0.3 -5,-0.3 -3,-0.2 0.758 134.6 31.4 -89.5 -27.6 16.9 20.9 4.7 782 283 B L S >< - 0 0 14 -2,-0.4 3,-2.2 1,-0.1 6,-0.2 -0.274 33.2-109.1 -55.5 150.7 16.3 22.0 25.2 795 296 B P T 3 S+ 0 0 53 0, 0.0 -554,-0.5 0, 0.0 5,-0.2 0.752 117.5 65.1 -55.9 -27.0 14.0 21.9 28.3 796 297 B S T 3 S+ 0 0 36 -556,-0.1 -553,-0.2 4,-0.1 5,-0.1 0.578 79.2 103.2 -73.5 -11.1 15.4 18.3 29.0 797 298 B V S X S- 0 0 27 -3,-2.2 3,-2.2 1,-0.1 4,-0.3 -0.489 90.1 -90.0 -71.1 139.6 19.0 19.7 29.6 798 299 B P T 3 S+ 0 0 50 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.239 110.1 3.6 -50.4 134.4 20.0 19.9 33.3 799 300 B Y T 3 S+ 0 0 22 -560,-0.1 -3,-0.1 1,-0.1 -2,-0.1 0.409 109.6 97.7 73.1 2.3 19.1 23.3 34.8 800 301 B A < + 0 0 8 -3,-2.2 2,-1.6 -5,-0.2 3,-0.2 0.345 38.7 103.9-110.4 3.2 17.4 24.4 31.6 801 302 B N + 0 0 18 -562,-0.4 -562,-0.3 -4,-0.3 -1,-0.1 -0.642 41.7 138.8 -86.2 85.5 13.7 23.8 32.2 802 303 B L - 0 0 12 -2,-1.6 -1,-0.2 -564,-0.1 -562,-0.0 0.403 67.6-117.0-112.6 -3.7 12.9 27.5 32.8 803 304 B G - 0 0 24 -3,-0.2 -2,-0.1 1,-0.2 -570,-0.1 0.817 46.9-177.8 61.7 33.3 9.7 28.1 30.9 804 305 B L - 0 0 37 1,-0.1 -1,-0.2 -572,-0.1 -14,-0.0 -0.339 32.8-105.6 -60.5 143.6 11.4 30.5 28.6 805 306 B K - 0 0 167 1,-0.1 -1,-0.1 -2,-0.0 2,-0.1 -0.610 33.8-134.1 -78.7 117.1 9.0 32.1 26.0 806 307 B P - 0 0 49 0, 0.0 2,-0.7 0, 0.0 -15,-0.1 -0.396 4.9-137.0 -66.7 145.5 9.5 30.7 22.5 807 308 B S - 0 0 27 -17,-0.3 3,-0.1 -38,-0.1 -2,-0.0 -0.921 30.8-163.1 -99.8 103.7 9.7 33.0 19.5 808 309 B Q - 0 0 106 -2,-0.7 2,-0.7 1,-0.1 -36,-0.1 -0.127 35.8 -72.4 -77.6 173.2 7.5 31.3 16.9 809 310 B Y + 0 0 111 -38,-0.1 -38,-0.2 1,-0.1 -1,-0.1 -0.609 69.9 144.9 -69.3 114.1 7.4 31.9 13.1 810 311 B D > + 0 0 51 -40,-2.9 4,-2.2 -2,-0.7 5,-0.1 -0.602 24.2 178.8-155.5 82.9 5.7 35.3 12.8 811 312 B P H > S+ 0 0 29 0, 0.0 4,-3.0 0, 0.0 5,-0.2 0.809 86.3 58.6 -61.0 -28.3 6.9 37.5 9.9 812 313 B Q H > S+ 0 0 130 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.952 106.9 45.2 -63.6 -51.4 4.2 40.1 11.0 813 314 B K H > S+ 0 0 105 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.903 114.9 50.8 -54.1 -43.8 5.7 40.4 14.5 814 315 B A H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.946 110.9 45.6 -60.2 -53.1 9.2 40.5 12.8 815 316 B K H X S+ 0 0 66 -4,-3.0 4,-2.2 1,-0.2 -1,-0.2 0.876 113.7 51.0 -56.5 -40.5 8.2 43.3 10.4 816 317 B A H X S+ 0 0 38 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.873 108.9 50.5 -68.0 -40.3 6.5 45.3 13.2 817 318 B L H X S+ 0 0 46 -4,-2.4 4,-1.4 -5,-0.2 -1,-0.2 0.894 111.5 48.8 -61.8 -40.7 9.6 45.0 15.4 818 319 B L H <>S+ 0 0 0 -4,-2.1 5,-2.9 2,-0.2 4,-0.2 0.872 109.9 50.5 -69.6 -39.7 11.8 46.3 12.6 819 320 B E H ><5S+ 0 0 81 -4,-2.2 3,-2.1 3,-0.2 -2,-0.2 0.953 108.4 52.6 -59.0 -50.6 9.4 49.2 11.9 820 321 B K H 3<5S+ 0 0 165 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.846 108.6 52.5 -52.1 -36.5 9.4 50.2 15.6 821 322 B A T 3<5S- 0 0 24 -4,-1.4 -1,-0.3 -5,-0.1 -2,-0.2 0.445 124.8-102.0 -82.2 -3.8 13.3 50.1 15.4 822 323 B G T < 5S+ 0 0 34 -3,-2.1 2,-0.9 -4,-0.2 -3,-0.2 0.625 78.2 135.2 91.7 14.9 13.4 52.5 12.4 823 324 B W < + 0 0 9 -5,-2.9 2,-0.3 -6,-0.1 -1,-0.2 -0.830 33.0 169.8 -96.2 97.5 14.0 49.9 9.7 824 325 B T B -G 833 0N 64 9,-2.0 9,-2.6 -2,-0.9 7,-0.0 -0.781 36.6-114.2-114.9 152.7 11.6 50.9 7.0 825 326 B L - 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