==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 09-JUL-05 2CZ0 . COMPND 2 MOLECULE: NITRILE HYDRATASE SUBUNIT ALPHA; . SOURCE 2 ORGANISM_SCIENTIFIC: RHODOCOCCUS ERYTHROPOLIS; . AUTHOR Y.KAWANO,K.HASHIMOTO,M.ODAKA,H.NAKAYAMA,K.TAKIO,I.ENDO, . 408 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16468.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 256 62.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 4.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 28 6.9 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 . 0 0.0 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 . 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 . 22 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 46 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 109 26.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 2.5 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 3 3 2 0 3 2 0 2 0 2 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 1 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 PARALLEL BRIDGES PER LADDER . 3 0 2 1 0 0 1 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 . 1 0 0 0 0 0 1 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 9 A E 0 0 200 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-121.5 123.4 11.2 -4.3 2 10 A N + 0 0 101 1,-0.2 2,-0.1 2,-0.0 0, 0.0 0.728 360.0 147.0 59.0 23.5 121.2 13.7 -2.4 3 11 A A - 0 0 67 1,-0.2 -1,-0.2 3,-0.0 3,-0.1 -0.367 56.1 -85.6 -81.5 162.8 119.6 10.5 -1.0 4 12 A A - 0 0 57 -2,-0.1 -1,-0.2 -3,-0.1 2,-0.1 -0.316 46.3-103.9 -67.5 151.9 118.2 10.2 2.5 5 13 A P - 0 0 49 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.515 44.9 -98.2 -67.2 146.6 120.5 9.3 5.3 6 14 A A + 0 0 79 -2,-0.1 2,-0.3 -3,-0.1 293,-0.0 -0.481 54.8 179.4 -62.2 138.1 120.1 5.7 6.4 7 15 A Q - 0 0 47 -2,-0.1 294,-0.2 294,-0.1 3,-0.1 -0.993 31.4-116.9-146.8 142.0 117.8 5.6 9.5 8 16 A A - 0 0 8 292,-2.7 5,-0.1 -2,-0.3 291,-0.1 -0.263 63.1 -70.4 -61.3 157.5 116.3 3.1 11.9 9 17 A P > - 0 0 82 0, 0.0 4,-2.0 0, 0.0 3,-0.4 -0.219 45.2-122.4 -53.7 140.9 112.5 2.9 11.8 10 18 A V H > S+ 0 0 31 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.858 111.8 57.1 -59.1 -37.8 111.0 6.1 13.3 11 19 A S H > S+ 0 0 47 1,-0.2 4,-2.4 2,-0.2 5,-0.3 0.896 107.6 48.8 -56.7 -40.6 109.1 4.0 15.9 12 20 A D H > S+ 0 0 75 -3,-0.4 4,-1.4 1,-0.2 -1,-0.2 0.891 113.1 47.4 -65.8 -37.8 112.3 2.5 17.0 13 21 A R H X S+ 0 0 7 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.925 111.6 49.2 -68.5 -44.2 114.0 6.0 17.2 14 22 A A H X S+ 0 0 0 -4,-3.0 4,-1.9 1,-0.2 -2,-0.2 0.921 115.3 42.6 -63.6 -44.0 111.1 7.6 19.1 15 23 A W H X S+ 0 0 76 -4,-2.4 4,-3.3 2,-0.2 5,-0.3 0.780 110.1 58.3 -71.5 -27.9 110.9 4.8 21.7 16 24 A A H X S+ 0 0 0 -4,-1.4 4,-2.6 -5,-0.3 -1,-0.2 0.934 106.8 48.3 -65.6 -39.3 114.7 4.8 22.0 17 25 A L H X S+ 0 0 1 -4,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.934 113.4 47.2 -65.1 -44.1 114.5 8.4 22.9 18 26 A F H X S+ 0 0 27 -4,-1.9 4,-3.1 1,-0.2 5,-0.3 0.926 114.6 45.6 -58.2 -53.1 111.8 7.7 25.5 19 27 A R H X S+ 0 0 109 -4,-3.3 4,-2.2 1,-0.2 -2,-0.2 0.844 109.3 55.2 -64.8 -34.6 113.7 4.7 27.0 20 28 A A H < S+ 0 0 3 -4,-2.6 -1,-0.2 -5,-0.3 -2,-0.2 0.938 117.6 35.0 -65.0 -41.5 117.0 6.5 27.1 21 29 A L H ><>S+ 0 0 3 -4,-1.8 5,-2.3 -5,-0.2 3,-1.3 0.893 117.8 51.2 -77.7 -44.1 115.5 9.4 29.2 22 30 A D H ><5S+ 0 0 72 -4,-3.1 3,-1.7 1,-0.3 5,-0.2 0.856 105.3 57.1 -60.4 -38.1 113.1 7.2 31.2 23 31 A G T 3<5S+ 0 0 66 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.498 103.8 53.6 -77.1 -0.9 115.9 4.9 32.2 24 32 A K T < 5S- 0 0 96 -3,-1.3 -1,-0.3 -5,-0.1 -2,-0.2 0.241 118.7-112.4-109.4 6.9 117.8 7.8 33.7 25 33 A G T < 5S+ 0 0 66 -3,-1.7 -3,-0.2 2,-0.1 -2,-0.1 0.728 82.2 125.6 69.1 23.9 114.8 8.7 35.8 26 34 A L < + 0 0 47 -5,-2.3 -4,-0.2 1,-0.1 -3,-0.1 0.462 56.6 68.4 -93.0 -4.8 114.3 11.9 33.8 27 35 A V S S- 0 0 9 -6,-0.3 3,-0.1 -5,-0.2 -1,-0.1 -0.966 85.3-127.2-117.8 111.1 110.6 11.3 32.9 28 36 A P > - 0 0 54 0, 0.0 3,-2.2 0, 0.0 4,-0.3 -0.061 41.3 -83.9 -52.5 148.7 108.1 11.3 35.8 29 37 A D T 3 S+ 0 0 173 1,-0.3 -7,-0.0 2,-0.1 0, 0.0 -0.346 114.3 4.8 -53.0 134.7 105.8 8.3 36.2 30 38 A G T 3> S+ 0 0 42 -3,-0.1 4,-2.8 1,-0.1 -1,-0.3 0.506 94.6 127.8 67.9 8.6 102.8 8.5 33.9 31 39 A Y H <> S+ 0 0 31 -3,-2.2 4,-2.2 2,-0.2 5,-0.2 0.947 73.9 34.3 -68.6 -49.8 104.1 11.7 32.4 32 40 A V H > S+ 0 0 1 -4,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.862 119.0 53.8 -75.7 -29.4 103.9 11.0 28.7 33 41 A E H > S+ 0 0 103 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.932 108.8 50.2 -63.2 -44.2 100.8 8.9 29.2 34 42 A G H X S+ 0 0 28 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.945 112.3 44.8 -60.6 -47.9 99.2 11.8 30.9 35 43 A W H X S+ 0 0 64 -4,-2.2 4,-3.4 1,-0.2 5,-0.2 0.890 107.9 58.7 -68.9 -30.8 100.0 14.3 28.2 36 44 A K H X S+ 0 0 41 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.952 108.4 46.0 -59.2 -43.4 98.9 11.9 25.5 37 45 A K H X>S+ 0 0 108 -4,-2.0 4,-3.0 2,-0.2 5,-0.7 0.926 113.2 49.0 -64.8 -43.2 95.5 11.8 27.1 38 46 A T H X>S+ 0 0 34 -4,-2.3 5,-2.4 1,-0.2 4,-1.5 0.968 112.9 47.7 -59.0 -47.5 95.4 15.6 27.5 39 47 A F H <5S+ 0 0 0 -4,-3.4 75,-0.4 1,-0.2 -1,-0.2 0.860 119.6 39.9 -60.4 -36.9 96.4 16.0 23.9 40 48 A E H <5S+ 0 0 74 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.777 130.8 18.7 -82.2 -31.7 93.8 13.5 22.7 41 49 A E H <5S+ 0 0 107 -4,-3.0 -3,-0.2 -5,-0.2 -2,-0.2 0.802 125.8 35.0-115.7 -38.5 90.9 14.4 24.9 42 50 A D T <> - 0 0 10 66,-1.3 3,-1.5 -2,-0.9 4,-0.8 -0.997 63.0-131.9-149.9 141.7 89.8 20.1 21.4 45 53 A P H 3> S+ 0 0 32 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.639 102.8 78.1 -69.0 -10.8 88.1 22.3 18.7 46 54 A R H 3> S+ 0 0 174 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.822 91.4 55.2 -64.3 -28.7 84.9 21.6 20.6 47 55 A R H <> S+ 0 0 43 -3,-1.5 4,-2.2 2,-0.2 -1,-0.2 0.942 107.2 44.9 -65.9 -50.6 86.2 24.2 23.0 48 56 A G H X S+ 0 0 0 63,-1.5 4,-2.4 -4,-0.8 -2,-0.2 0.904 110.8 56.5 -64.7 -31.2 86.7 26.9 20.4 49 57 A A H X S+ 0 0 4 -4,-2.2 4,-2.5 62,-0.2 -1,-0.2 0.879 105.4 50.8 -60.8 -39.1 83.2 26.0 19.0 50 58 A E H X S+ 0 0 53 -4,-1.6 4,-2.2 2,-0.2 5,-0.2 0.901 110.3 50.6 -61.9 -42.5 81.7 26.6 22.5 51 59 A L H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.919 111.4 46.9 -65.3 -40.4 83.5 30.0 22.5 52 60 A V H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.914 110.8 50.8 -68.2 -41.5 82.1 30.9 19.1 53 61 A A H X S+ 0 0 0 -4,-2.5 4,-1.1 2,-0.2 -2,-0.2 0.870 111.5 49.2 -65.0 -35.7 78.6 29.9 19.9 54 62 A R H >X S+ 0 0 63 -4,-2.2 4,-1.3 2,-0.2 3,-0.7 0.940 111.3 48.8 -68.6 -43.1 78.8 32.0 23.1 55 63 A A H >< S+ 0 0 2 -4,-2.3 3,-0.6 1,-0.3 7,-0.4 0.943 109.0 53.9 -62.0 -41.3 80.1 35.0 21.2 56 64 A W H 3< S+ 0 0 21 -4,-2.6 -1,-0.3 1,-0.2 -2,-0.2 0.788 118.5 34.0 -58.5 -30.7 77.3 34.6 18.6 57 65 A T H << S+ 0 0 63 -4,-1.1 -1,-0.2 -3,-0.7 -2,-0.2 0.426 116.3 53.5-111.5 1.1 74.6 34.7 21.2 58 66 A D XX - 0 0 36 -4,-1.3 4,-2.6 -3,-0.6 3,-0.6 -0.819 57.7-166.6-141.6 96.0 76.1 37.1 23.8 59 67 A P H 3> S+ 0 0 99 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.825 91.5 54.9 -57.3 -31.7 77.2 40.6 22.7 60 68 A E H 3> S+ 0 0 160 2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.927 110.4 44.5 -70.0 -38.3 79.0 41.2 25.9 61 69 A F H <> S+ 0 0 5 -3,-0.6 4,-3.1 -7,-0.2 5,-0.2 0.927 110.8 55.2 -69.8 -39.0 81.0 38.0 25.6 62 70 A R H X S+ 0 0 65 -4,-2.6 4,-2.2 -7,-0.4 -2,-0.2 0.934 107.6 50.2 -56.0 -48.9 81.7 38.8 21.9 63 71 A Q H X S+ 0 0 121 -4,-2.5 4,-0.9 -5,-0.2 5,-0.2 0.918 112.8 45.5 -57.5 -44.5 83.1 42.1 23.0 64 72 A L H >X S+ 0 0 47 -4,-1.9 4,-3.7 1,-0.2 3,-0.9 0.949 110.8 52.7 -62.3 -51.7 85.4 40.6 25.6 65 73 A L H 3< S+ 0 0 0 -4,-3.1 23,-0.7 1,-0.2 -1,-0.2 0.859 112.8 45.5 -52.5 -39.0 86.6 37.8 23.3 66 74 A L H 3< S+ 0 0 49 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.630 123.2 33.4 -84.8 -12.9 87.5 40.4 20.6 67 75 A T H << S+ 0 0 92 -4,-0.9 -2,-0.2 -3,-0.9 -3,-0.2 0.674 137.5 14.7-112.9 -30.7 89.3 42.8 23.0 68 76 A D X + 0 0 72 -4,-3.7 4,-2.0 -5,-0.2 3,-0.2 -0.558 65.3 169.6-143.4 79.6 90.8 40.4 25.5 69 77 A G H > S+ 0 0 3 17,-0.4 4,-3.0 1,-0.2 5,-0.3 0.854 77.3 58.3 -60.0 -38.3 90.7 36.9 24.2 70 78 A T H > S+ 0 0 29 16,-0.8 4,-2.5 1,-0.2 -1,-0.2 0.956 108.4 44.9 -56.4 -47.9 92.9 35.5 26.9 71 79 A A H > S+ 0 0 34 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.895 113.0 51.2 -67.8 -37.2 90.5 36.7 29.6 72 80 A A H >X S+ 0 0 0 -4,-2.0 4,-0.6 -8,-0.3 3,-0.5 0.931 112.5 45.5 -62.8 -47.7 87.5 35.4 27.7 73 81 A V H >X>S+ 0 0 0 -4,-3.0 5,-2.0 1,-0.2 3,-1.0 0.886 107.8 57.9 -65.8 -36.4 89.1 31.9 27.2 74 82 A A H ><5S+ 0 0 45 -4,-2.5 3,-0.8 -5,-0.3 -1,-0.2 0.780 93.1 67.4 -66.8 -24.6 90.2 31.8 30.8 75 83 A Q H <<5S+ 0 0 125 -4,-1.2 -1,-0.3 -3,-0.5 -2,-0.2 0.837 106.3 42.6 -62.5 -28.5 86.6 32.2 31.9 76 84 A Y H <<5S- 0 0 49 -3,-1.0 -1,-0.3 -4,-0.6 -2,-0.2 0.516 116.8-117.5 -88.3 -10.0 86.0 28.8 30.5 77 85 A G T <<5S+ 0 0 56 -3,-0.8 -3,-0.2 -4,-0.5 -2,-0.1 0.770 75.2 128.7 78.6 25.9 89.2 27.5 31.9 78 86 A Y < + 0 0 38 -5,-2.0 -4,-0.2 -31,-0.1 2,-0.1 0.263 25.0 118.1-106.9 15.7 90.7 26.7 28.5 79 87 A L + 0 0 68 -6,-0.2 5,-0.2 -5,-0.1 3,-0.0 -0.489 38.8 133.3 -68.1 150.4 94.2 28.5 28.6 80 88 A G B > -A 83 0A 13 3,-1.3 3,-1.8 -2,-0.1 29,-0.1 -0.974 56.5 -31.1-175.0-176.8 97.1 26.0 28.2 81 89 A P T 3 S+ 0 0 39 0, 0.0 28,-0.1 0, 0.0 0, 0.0 -0.256 131.1 14.8 -52.6 140.4 100.4 25.2 26.5 82 90 A Q T 3 S+ 0 0 31 27,-0.1 27,-0.7 26,-0.1 25,-0.1 0.762 126.1 67.9 61.2 24.2 100.4 26.8 23.0 83 91 A G B < +A 80 0A 1 -3,-1.8 -3,-1.3 25,-0.2 3,-0.2 -0.004 55.1 112.9-163.5 52.9 97.4 28.8 24.2 84 92 A E S S+ 0 0 128 1,-0.3 2,-0.5 73,-0.3 74,-0.1 0.696 81.5 38.3-101.9 -25.2 98.4 31.3 26.8 85 93 A Y S S- 0 0 16 72,-0.4 74,-2.4 2,-0.0 2,-0.4 -0.941 80.9-168.6-128.2 105.3 97.9 34.6 25.0 86 94 A I E -b 159 0B 4 -2,-0.5 -16,-0.8 72,-0.2 -17,-0.4 -0.823 16.4-177.0-108.0 135.9 94.8 34.4 22.8 87 95 A V E -b 160 0B 26 72,-2.2 74,-1.6 -2,-0.4 2,-0.4 -0.992 12.6-156.1-124.7 124.3 93.6 36.8 20.1 88 96 A A E -b 161 0B 7 -23,-0.7 2,-0.5 -2,-0.4 74,-0.2 -0.822 11.0-152.9 -93.6 130.9 90.2 36.1 18.4 89 97 A V E -b 162 0B 8 72,-2.6 74,-2.9 -2,-0.4 2,-0.5 -0.934 12.5-133.6-114.7 131.5 90.0 37.6 14.9 90 98 A E E -b 163 0B 76 -2,-0.5 2,-0.1 72,-0.2 72,-0.1 -0.725 5.8-144.2 -96.6 125.2 86.5 38.5 13.6 91 99 A D - 0 0 7 72,-2.6 5,-0.2 -2,-0.5 98,-0.0 -0.466 24.6-178.4 -73.1 151.9 85.2 37.7 10.1 92 100 A T B > -C 95 0C 37 3,-2.3 3,-1.7 -2,-0.1 73,-0.1 -0.882 47.5 -86.5-142.1 171.1 82.9 40.3 8.6 93 101 A P T 3 S+ 0 0 92 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 0.721 131.8 32.1 -59.1 -12.7 81.0 40.7 5.3 94 102 A T T 3 S+ 0 0 89 1,-0.2 54,-2.4 53,-0.1 2,-0.4 0.301 114.8 63.1-123.0 13.1 84.2 42.1 3.8 95 103 A L E < -Cd 92 148C 21 -3,-1.7 -3,-2.3 52,-0.2 2,-0.5 -0.972 50.4-174.8-141.4 126.1 86.9 40.3 5.7 96 104 A K E - d 0 149C 8 52,-3.2 54,-2.7 -2,-0.4 2,-0.3 -0.990 16.4-154.7-118.2 125.1 87.9 36.6 5.9 97 105 A N E - d 0 150C 1 -2,-0.5 2,-0.3 52,-0.2 54,-0.2 -0.746 11.9-177.8 -98.6 147.2 90.6 35.6 8.3 98 106 A V E - d 0 151C 0 52,-2.2 54,-3.0 -2,-0.3 2,-0.3 -0.992 13.1-144.6-141.4 141.8 92.9 32.6 8.0 99 107 A I E + d 0 152C 4 89,-2.2 2,-0.3 -2,-0.3 54,-0.2 -0.852 24.1 156.3-112.0 143.7 95.6 31.3 10.4 100 108 A V E - d 0 153C 0 52,-2.3 54,-3.4 -2,-0.3 2,-0.5 -0.976 36.7-140.7-149.0 164.3 98.9 29.5 9.6 101 109 A C > - 0 0 0 18,-0.3 3,-0.9 -2,-0.3 24,-0.1 -0.842 21.8-178.7-122.2 95.1 102.4 28.9 11.1 102 110 A S T 3 S+ 0 0 0 -2,-0.5 103,-0.7 1,-0.2 -1,-0.1 0.787 79.8 51.3 -66.1 -26.1 104.6 29.3 8.1 103 111 A L T 3 S- 0 0 5 51,-0.2 -1,-0.2 101,-0.1 52,-0.1 0.610 135.1 -39.5 -88.3 -12.0 107.7 28.5 10.1 104 112 A X S < S- 0 0 8 -3,-0.9 -3,-0.2 2,-0.1 21,-0.1 -0.158 89.6 -59.9-173.1 -86.2 106.4 25.3 11.8 105 113 A S + 0 0 2 49,-0.2 -3,-0.1 -5,-0.1 -4,-0.1 0.385 54.9 169.3-169.0 4.2 103.0 24.5 13.2 106 114 A X + 0 0 3 48,-0.3 2,-0.3 -6,-0.1 48,-0.2 0.026 14.7 158.1 -45.5 131.2 102.0 27.0 15.9 107 115 A T - 0 0 5 52,-0.1 2,-2.0 -25,-0.1 54,-0.1 -0.966 56.0 -98.6-152.4 147.0 98.3 26.6 16.8 108 116 A A >>> - 0 0 1 52,-0.6 4,-2.4 -2,-0.3 3,-1.2 -0.526 48.1-174.9 -75.7 81.4 96.1 27.5 19.7 109 117 A W H 3>5 + 0 0 7 -2,-2.0 4,-1.9 -27,-0.7 -1,-0.2 0.845 69.6 53.1 -49.2 -52.4 96.2 23.8 21.0 110 118 A P H 345S+ 0 0 1 0, 0.0 -66,-1.3 0, 0.0 -1,-0.3 0.786 122.9 26.5 -67.2 -22.1 93.8 24.0 23.9 111 119 A I H <45S+ 0 0 1 -3,-1.2 -63,-1.5 -68,-0.2 -62,-0.2 0.580 133.1 32.3-115.6 -13.4 90.9 25.4 21.9 112 120 A L H <5S- 0 0 4 -4,-2.4 -3,-0.2 -65,-0.1 76,-0.1 0.504 105.5-124.8-107.6 -13.0 91.5 24.3 18.4 113 121 A G << - 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0 0 32 -107,-0.1 -1,-0.3 4,-0.0 4,-0.1 -0.302 50.4 -21.4 83.2-169.1 91.7 10.7 11.8 224 26 B P - 0 0 86 0, 0.0 3,-0.1 0, 0.0 -184,-0.0 -0.232 68.0-106.6 -65.6 162.7 92.8 10.3 15.4 225 27 B T S S+ 0 0 56 1,-0.2 2,-0.5 -185,-0.1 -185,-0.0 0.940 112.7 36.6 -54.6 -46.5 95.1 13.0 17.0 226 28 B F - 0 0 11 1,-0.1 -1,-0.2 -190,-0.0 3,-0.1 -0.916 65.6-168.4-111.2 130.0 98.0 10.5 16.8 227 29 B H S S+ 0 0 104 -2,-0.5 2,-0.3 1,-0.1 -1,-0.1 0.537 75.7 35.5-101.0 -0.6 98.2 8.2 13.8 228 30 B A S > S- 0 0 31 -217,-0.0 3,-1.5 1,-0.0 4,-0.3 -0.977 85.8-112.4-144.9 156.7 100.9 6.0 15.3 229 31 B E T 3 S+ 0 0 145 -2,-0.3 3,-0.2 1,-0.3 4,-0.0 0.665 114.3 48.1 -68.5 -15.4 101.6 4.8 18.8 230 32 B W T > S+ 0 0 22 1,-0.1 3,-2.2 2,-0.1 -1,-0.3 0.579 82.9 93.9 -92.9 -9.0 104.9 6.8 19.1 231 33 B E T < S+ 0 0 34 -3,-1.5 4,-0.5 1,-0.3 -1,-0.1 0.694 78.5 58.6 -69.6 -17.6 103.6 10.2 17.9 232 34 B H T 3> S+ 0 0 10 -4,-0.3 4,-1.9 -3,-0.2 -1,-0.3 0.598 89.8 79.2 -77.5 -10.8 102.7 11.6 21.3 233 35 B L H <> S+ 0 0 1 -3,-2.2 4,-3.0 1,-0.2 5,-0.4 0.908 83.7 54.6 -72.0 -43.4 106.4 11.2 22.4 234 36 B P H > S+ 0 0 0 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.952 114.9 39.7 -58.5 -42.1 108.1 14.2 20.8 235 37 B Y H > S+ 0 0 3 -4,-0.5 4,-2.4 1,-0.2 -2,-0.2 0.934 118.7 47.2 -72.9 -38.4 105.7 16.8 22.3 236 38 B S H X S+ 0 0 0 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.907 114.7 44.9 -67.7 -41.4 105.6 15.0 25.7 237 39 B L H X S+ 0 0 0 -4,-3.0 4,-2.8 2,-0.2 -1,-0.2 0.817 110.8 55.6 -72.9 -31.5 109.3 14.6 25.9 238 40 B M H X S+ 0 0 15 -4,-1.9 4,-2.5 -5,-0.4 5,-0.2 0.951 107.7 48.6 -57.0 -47.2 109.8 18.2 24.8 239 41 B F H X>S+ 0 0 33 -4,-2.4 4,-3.1 2,-0.2 5,-0.8 0.923 111.0 51.2 -59.0 -44.4 107.5 19.2 27.7 240 42 B A H X>S+ 0 0 3 -4,-2.2 5,-2.9 1,-0.2 4,-1.7 0.972 111.3 47.8 -57.0 -52.2 109.7 17.0 30.0 241 43 B G H <5S+ 0 0 0 -4,-2.8 6,-2.3 3,-0.2 7,-0.9 0.890 120.2 36.6 -57.9 -41.8 112.8 18.7 28.7 242 44 B V H <5S+ 0 0 47 -4,-2.5 -2,-0.2 4,-0.2 -1,-0.2 0.949 131.1 22.7 -76.4 -51.2 111.5 22.2 29.1 243 45 B A H <5S+ 0 0 71 -4,-3.1 -3,-0.2 -5,-0.2 -2,-0.2 0.764 130.3 33.5 -99.0 -26.8 109.4 22.1 32.2 244 46 B E T < - 0 0 17 116,-0.3 4,-1.2 -2,-0.3 3,-0.2 -0.578 35.0-110.3 -93.1 163.1 113.6 26.4 25.9 250 52 B V H > S+ 0 0 59 1,-0.2 4,-2.1 2,-0.2 3,-0.3 0.868 120.9 60.0 -58.3 -35.3 110.8 25.9 23.4 251 53 B D H > S+ 0 0 19 1,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.877 100.3 53.6 -63.7 -37.5 112.7 28.3 21.2 252 54 B E H > S+ 0 0 18 113,-0.3 4,-2.3 -3,-0.2 -1,-0.3 0.815 106.4 53.9 -63.1 -33.6 115.8 26.0 21.2 253 55 B V H X S+ 0 0 2 -4,-1.2 4,-1.8 -3,-0.3 -2,-0.2 0.929 108.6 48.1 -67.7 -43.5 113.5 23.2 20.0 254 56 B R H X S+ 0 0 18 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.957 114.4 47.3 -59.9 -46.1 112.3 25.3 17.0 255 57 B Y H X S+ 0 0 7 -4,-2.5 4,-1.5 1,-0.2 -2,-0.2 0.905 107.7 53.5 -66.7 -38.7 116.0 26.2 16.2 256 58 B V H < S+ 0 0 0 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.882 110.0 48.8 -66.3 -32.5 117.3 22.6 16.4 257 59 B V H >< S+ 0 0 4 -4,-1.8 3,-1.8 1,-0.2 -1,-0.2 0.910 108.0 54.2 -69.3 -39.8 114.6 21.5 13.9 258 60 B E H 3< S+ 0 0 12 -4,-2.2 -55,-0.2 1,-0.3 -2,-0.2 0.808 103.0 61.7 -57.2 -28.9 115.6 24.5 11.7 259 61 B R T 3< S+ 0 0 15 -4,-1.5 46,-2.3 -5,-0.2 -1,-0.3 0.437 73.4 118.3 -84.6 -1.9 119.1 22.9 12.0 260 62 B M S < S- 0 0 5 -3,-1.8 44,-0.1 44,-0.3 5,-0.0 -0.424 86.2 -91.0 -57.3 142.4 118.2 19.6 10.3 261 63 B E > - 0 0 55 42,-0.3 4,-2.8 1,-0.1 3,-0.3 -0.322 44.4-115.3 -54.8 138.3 120.3 19.2 7.2 262 64 B P H > S+ 0 0 61 0, 0.0 4,-2.0 0, 0.0 -1,-0.1 0.860 113.4 44.7 -55.0 -43.7 118.0 20.7 4.5 263 65 B R H > S+ 0 0 115 1,-0.2 4,-1.1 2,-0.2 5,-0.1 0.881 113.6 52.2 -67.8 -34.9 117.4 17.5 2.5 264 66 B H H >> S+ 0 0 5 -3,-0.3 3,-0.6 1,-0.2 4,-0.6 0.938 109.4 49.6 -63.5 -46.2 116.7 15.6 5.8 265 67 B Y H >< S+ 0 0 3 -4,-2.8 3,-1.0 1,-0.2 -2,-0.2 0.915 109.1 53.1 -53.7 -47.2 114.2 18.3 6.8 266 68 B M H 3< S+ 0 0 74 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.2 0.744 113.5 40.0 -69.7 -22.9 112.4 18.1 3.5 267 69 B M H << S+ 0 0 87 -4,-1.1 -1,-0.2 -3,-0.6 -2,-0.2 0.385 96.2 94.7-105.0 4.9 111.9 14.3 3.5 268 70 B T S << S- 0 0 5 -3,-1.0 5,-0.1 -4,-0.6 -4,-0.0 -0.837 74.9-121.4-103.6 128.6 111.0 13.9 7.2 269 71 B P > - 0 0 82 0, 0.0 4,-1.8 0, 0.0 3,-0.4 -0.224 33.8-103.6 -59.0 151.8 107.4 13.9 8.5 270 72 B Y H >> S+ 0 0 21 1,-0.2 4,-1.2 2,-0.2 3,-0.5 0.873 116.3 44.1 -43.3 -61.4 106.4 16.5 11.1 271 73 B Y H 3> S+ 0 0 12 1,-0.3 4,-1.5 2,-0.2 -1,-0.2 0.869 111.4 55.3 -64.5 -31.7 106.4 14.5 14.3 272 74 B E H 3> S+ 0 0 17 -3,-0.4 4,-2.6 1,-0.2 -1,-0.3 0.849 98.4 62.2 -66.8 -33.1 109.7 12.7 13.3 273 75 B R H S+ 0 0 1 -4,-2.6 6,-2.0 1,-0.2 5,-1.9 0.858 112.4 43.0 -60.8 -33.3 119.5 15.9 24.6 283 85 B V H ><5S+ 0 0 40 -4,-2.0 3,-1.9 -5,-0.2 -2,-0.2 0.947 113.8 49.9 -74.6 -46.0 122.9 15.0 23.2 284 86 B E H 3<5S+ 0 0 89 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.835 109.5 52.0 -60.6 -32.2 124.1 18.6 22.8 285 87 B K T 3<5S- 0 0 88 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.367 117.1-114.0 -87.5 2.9 123.2 19.4 26.4 286 88 B G T < 5S+ 0 0 65 -3,-1.9 -3,-0.2 2,-0.3 -2,-0.1 0.562 87.0 112.6 78.9 16.3 125.2 16.3 27.6 287 89 B I S - 0 0 72 -2,-0.3 4,-1.8 1,-0.1 5,-0.1 -0.846 19.7-126.5-109.4 156.9 124.8 10.2 24.0 290 92 B Q H > S+ 0 0 73 -2,-0.3 4,-2.8 1,-0.2 5,-0.3 0.880 109.5 61.0 -67.9 -31.1 124.3 9.4 20.3 291 93 B D H > S+ 0 0 116 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.913 105.1 45.3 -59.9 -42.5 125.7 5.9 21.0 292 94 B E H > S+ 0 0 40 2,-0.2 4,-2.4 1,-0.2 5,-0.3 0.893 112.1 51.9 -75.4 -31.2 123.0 5.1 23.5 293 95 B L H X S+ 0 0 0 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.929 114.5 43.4 -62.8 -43.3 120.3 6.5 21.2 294 96 B E H X>S+ 0 0 64 -4,-2.8 4,-1.6 2,-0.2 5,-1.5 0.903 112.5 52.3 -73.2 -34.9 121.5 4.3 18.3 295 97 B S H <5S+ 0 0 81 -4,-2.7 -2,-0.2 -5,-0.3 -1,-0.2 0.937 113.8 43.2 -62.2 -43.4 122.0 1.3 20.5 296 98 B L H <5S+ 0 0 61 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.819 115.5 48.9 -72.0 -33.2 118.5 1.4 21.8 297 99 B A H <5S- 0 0 4 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.2 0.742 103.8-131.9 -79.5 -17.1 117.1 2.2 18.4 298 100 B G T <5S+ 0 0 69 -4,-1.6 -3,-0.2 1,-0.2 -4,-0.1 0.782 76.2 26.6 76.5 29.3 119.0 -0.7 16.8 299 101 B G S - 0 0 94 -2,-0.2 3,-2.4 1,-0.1 29,-0.3 -0.829 34.5 -81.6-116.3 153.7 101.5 52.3 18.9 323 125 B V T 3 S+ 0 0 96 -2,-0.3 29,-0.2 1,-0.3 3,-0.1 -0.301 117.2 25.0 -51.3 131.3 98.5 50.9 17.1 324 126 B G T 3 S+ 0 0 50 27,-2.8 -1,-0.3 1,-0.3 28,-0.1 0.196 89.1 128.4 93.3 -12.1 98.3 52.7 13.7 325 127 B Q < - 0 0 67 -3,-2.4 26,-2.5 26,-0.1 2,-0.4 -0.449 59.4-123.5 -75.1 154.3 102.0 53.5 13.4 326 128 B R E +F 350 0C 153 24,-0.2 83,-1.7 -3,-0.1 2,-0.3 -0.816 35.7 179.3 -95.6 133.4 103.8 52.5 10.2 327 129 B V E -FG 349 408C 1 22,-2.6 22,-2.8 -2,-0.4 2,-0.4 -0.925 21.4-142.5-132.4 156.1 106.9 50.4 10.8 328 130 B R E -FG 348 407C 84 79,-2.4 79,-1.8 -2,-0.3 2,-0.5 -0.947 26.1-118.8-114.7 140.1 109.6 48.7 8.7 329 131 B V E - G 0 406C 0 18,-2.4 17,-0.7 -2,-0.4 77,-0.2 -0.674 45.5-101.0 -74.5 125.6 111.0 45.3 9.5 330 132 B R - 0 0 37 75,-2.6 2,-2.0 -2,-0.5 16,-0.4 -0.204 26.2-125.3 -51.1 133.5 114.7 45.8 10.0 331 133 B D + 0 0 111 14,-0.2 2,-0.3 15,-0.1 -1,-0.1 -0.564 63.1 137.1 -85.5 76.8 116.7 44.8 7.0 332 134 B E - 0 0 66 -2,-2.0 2,-0.5 73,-0.1 14,-0.0 -0.911 48.1-143.2-125.9 151.2 118.9 42.4 8.9 333 135 B Y - 0 0 150 -2,-0.3 -2,-0.0 12,-0.0 0, 0.0 -0.983 16.1-173.3-118.4 122.8 120.3 38.9 8.3 334 136 B V - 0 0 14 -2,-0.5 -134,-0.1 2,-0.1 4,-0.1 -0.977 13.2-165.0-117.8 116.6 120.6 36.6 11.3 335 137 B P S S+ 0 0 90 0, 0.0 -27,-0.2 0, 0.0 3,-0.1 0.743 76.2 54.4 -76.7 -20.8 122.3 33.2 10.8 336 138 B G S S- 0 0 0 1,-0.2 -2,-0.1 -28,-0.1 27,-0.1 -0.052 112.2 -36.3 -92.9-158.7 120.9 31.8 14.1 337 139 B H + 0 0 0 26,-0.2 2,-0.3 25,-0.1 -1,-0.2 -0.305 63.1 161.2 -65.4 142.1 117.3 31.6 15.2 338 140 B I - 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