==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 08-NOV-07 2ZCF . COMPND 2 MOLECULE: NITRILE HYDRATASE SUBUNIT ALPHA; . SOURCE 2 ORGANISM_SCIENTIFIC: RHODOCOCCUS ERYTHROPOLIS; . AUTHOR H.TAKARADA,Y.KAWANO,K.HASHIMOTO,H.NAKAYAMA,S.UEDA,M.YOHDA, . 410 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16614.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 260 63.4 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 6.8 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 . 1 0.2 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 . 24 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 47 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 109 26.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 2.4 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 2 2 2 2 2 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 8 A T > 0 0 167 0, 0.0 3,-2.1 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 166.7 124.8 8.6 -4.2 2 9 A E T 3 + 0 0 168 1,-0.3 0, 0.0 0, 0.0 0, 0.0 -0.353 360.0 1.6 -55.3 131.3 124.5 12.3 -4.6 3 10 A N T 3 S+ 0 0 97 1,-0.2 -1,-0.3 -2,-0.0 2,-0.1 0.609 96.0 153.1 63.3 18.0 121.7 13.8 -2.5 4 11 A A < - 0 0 53 -3,-2.1 -1,-0.2 1,-0.1 260,-0.1 -0.349 50.2-100.8 -75.6 156.1 120.8 10.4 -1.1 5 12 A A - 0 0 59 1,-0.1 -1,-0.1 -2,-0.1 2,-0.1 -0.477 40.2-107.4 -74.4 148.6 119.2 10.0 2.3 6 13 A P - 0 0 50 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.403 41.4 -93.2 -71.4 152.8 121.5 9.0 5.3 7 14 A A + 0 0 76 -2,-0.1 2,-0.3 295,-0.0 293,-0.0 -0.482 54.6 177.0 -64.4 137.2 121.3 5.5 6.7 8 15 A Q - 0 0 46 -2,-0.1 294,-0.2 294,-0.1 3,-0.1 -0.986 31.6-122.3-145.4 137.9 118.8 5.4 9.6 9 16 A A - 0 0 8 292,-2.9 5,-0.1 -2,-0.3 291,-0.1 -0.237 63.2 -67.9 -62.5 162.4 117.4 2.8 11.9 10 17 A P > - 0 0 82 0, 0.0 4,-2.0 0, 0.0 3,-0.3 -0.265 47.1-122.6 -52.8 138.5 113.6 2.6 11.8 11 18 A V H > S+ 0 0 31 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.878 111.3 55.7 -58.9 -36.6 112.1 5.8 13.3 12 19 A S H > S+ 0 0 46 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.927 107.9 49.4 -62.1 -41.0 110.1 3.8 15.9 13 20 A D H > S+ 0 0 76 -3,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.907 113.2 46.5 -62.3 -40.1 113.4 2.2 17.1 14 21 A R H X S+ 0 0 7 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.940 112.6 48.7 -68.5 -45.3 115.1 5.6 17.3 15 22 A A H X S+ 0 0 0 -4,-3.2 4,-2.0 1,-0.2 -2,-0.2 0.920 114.6 44.9 -59.9 -44.9 112.2 7.3 19.1 16 23 A W H X S+ 0 0 78 -4,-2.7 4,-2.9 -5,-0.2 -1,-0.2 0.821 109.7 56.4 -71.1 -30.4 111.9 4.5 21.7 17 24 A A H X S+ 0 0 0 -4,-1.9 4,-2.8 -5,-0.3 -1,-0.2 0.907 106.0 50.9 -62.6 -42.7 115.7 4.5 22.1 18 25 A L H X S+ 0 0 1 -4,-2.2 4,-1.8 1,-0.2 5,-0.2 0.942 112.6 46.8 -56.9 -47.5 115.6 8.2 23.0 19 26 A F H X S+ 0 0 26 -4,-2.0 4,-3.2 1,-0.2 5,-0.2 0.937 114.5 45.2 -58.5 -52.8 112.9 7.4 25.6 20 27 A R H X S+ 0 0 112 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.852 108.7 56.3 -64.1 -34.9 114.8 4.4 27.0 21 28 A A H < S+ 0 0 4 -4,-2.8 4,-0.3 -5,-0.2 -1,-0.2 0.932 117.1 35.6 -62.6 -41.8 118.1 6.3 27.1 22 29 A L H ><>S+ 0 0 2 -4,-1.8 5,-2.0 -5,-0.2 3,-1.2 0.915 117.4 50.8 -76.2 -45.4 116.5 9.0 29.3 23 30 A D H ><5S+ 0 0 70 -4,-3.2 3,-1.6 1,-0.3 -2,-0.2 0.856 104.5 58.1 -63.6 -35.7 114.2 6.8 31.3 24 31 A G T 3<5S+ 0 0 66 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.637 103.0 54.4 -72.1 -10.6 117.0 4.4 32.3 25 32 A K T < 5S- 0 0 99 -3,-1.2 -1,-0.3 -4,-0.3 -2,-0.2 0.290 118.3-111.9-100.1 6.0 118.9 7.4 33.8 26 33 A G T < 5S+ 0 0 67 -3,-1.6 -3,-0.2 2,-0.1 -2,-0.1 0.621 83.7 123.5 75.2 15.9 115.9 8.3 36.0 27 34 A L < + 0 0 50 -5,-2.0 -4,-0.2 1,-0.1 -3,-0.1 0.527 56.8 67.5 -89.1 -7.7 115.4 11.5 34.1 28 35 A V S S- 0 0 6 -6,-0.3 3,-0.1 -5,-0.2 -1,-0.1 -0.951 84.6-129.0-114.6 109.8 111.7 10.8 33.1 29 36 A P > - 0 0 52 0, 0.0 3,-2.3 0, 0.0 4,-0.3 -0.004 43.0 -75.1 -54.1 154.7 109.2 10.8 36.0 30 37 A D T 3 S- 0 0 166 1,-0.3 -7,-0.0 2,-0.1 0, 0.0 -0.381 116.0 -3.7 -50.2 129.5 106.8 7.9 36.3 31 38 A G T 3> S+ 0 0 44 -3,-0.1 4,-2.1 1,-0.1 -1,-0.3 0.555 92.7 136.1 59.0 19.2 104.1 8.0 33.7 32 39 A Y H <> S+ 0 0 32 -3,-2.3 4,-1.8 1,-0.2 5,-0.1 0.946 72.7 36.8 -65.3 -49.9 105.4 11.4 32.4 33 40 A V H > S+ 0 0 1 -4,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.824 115.5 55.1 -74.3 -25.6 105.1 10.7 28.7 34 41 A E H > S+ 0 0 106 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.890 107.2 52.3 -67.7 -38.5 101.9 8.7 29.1 35 42 A G H X S+ 0 0 22 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.906 109.8 46.9 -63.4 -46.7 100.4 11.7 30.9 36 43 A W H X S+ 0 0 40 -4,-1.8 4,-3.2 2,-0.2 5,-0.2 0.919 108.4 56.3 -62.9 -42.8 101.4 14.1 28.1 37 44 A K H X S+ 0 0 43 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.940 109.4 47.0 -52.5 -44.5 99.9 11.6 25.5 38 45 A K H X>S+ 0 0 99 -4,-2.2 4,-3.1 2,-0.2 5,-0.6 0.932 111.6 49.4 -67.0 -42.4 96.6 11.8 27.3 39 46 A T H X>S+ 0 0 35 -4,-2.3 5,-2.4 1,-0.2 4,-1.8 0.954 113.0 48.2 -56.2 -47.2 96.7 15.6 27.5 40 47 A F H <5S+ 0 0 1 -4,-3.2 75,-0.4 1,-0.2 -1,-0.2 0.843 120.3 36.8 -63.9 -36.3 97.4 15.8 23.8 41 48 A E H <5S+ 0 0 74 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.811 131.1 21.8 -87.3 -32.3 94.7 13.3 22.9 42 49 A E H <5S+ 0 0 113 -4,-3.1 -3,-0.2 -5,-0.2 -2,-0.2 0.772 125.3 35.2-111.8 -33.5 91.9 14.2 25.3 43 50 A D T <> - 0 0 4 66,-1.5 3,-1.7 -2,-0.7 4,-0.8 -0.993 61.2-131.3-156.7 140.6 90.7 19.9 21.4 46 53 A P H 3> S+ 0 0 34 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.631 102.7 78.1 -68.7 -10.0 89.0 22.0 18.8 47 54 A R H 3> S+ 0 0 165 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.839 91.1 53.7 -63.9 -29.6 85.8 21.3 20.7 48 55 A R H <> S+ 0 0 48 -3,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.944 108.4 46.6 -68.3 -48.9 87.0 24.0 23.2 49 56 A G H X S+ 0 0 0 63,-1.6 4,-2.3 -4,-0.8 -2,-0.2 0.899 110.2 54.6 -60.0 -35.0 87.5 26.6 20.5 50 57 A A H X S+ 0 0 3 -4,-2.2 4,-2.6 62,-0.2 -1,-0.2 0.898 106.8 51.4 -63.9 -39.9 84.1 25.7 19.1 51 58 A E H X S+ 0 0 52 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.887 110.2 49.4 -60.8 -43.8 82.6 26.4 22.6 52 59 A L H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.914 111.2 48.2 -64.6 -41.3 84.3 29.7 22.6 53 60 A V H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.942 111.6 49.7 -63.5 -49.6 83.0 30.7 19.1 54 61 A A H X S+ 0 0 0 -4,-2.6 4,-0.9 2,-0.2 -1,-0.2 0.848 111.6 49.3 -59.2 -36.7 79.4 29.6 20.0 55 62 A R H >X S+ 0 0 58 -4,-2.2 4,-1.4 1,-0.2 3,-1.2 0.957 111.8 48.4 -68.1 -49.1 79.5 31.7 23.2 56 63 A A H 3< S+ 0 0 2 -4,-2.6 7,-0.3 1,-0.3 3,-0.3 0.890 107.6 56.4 -55.9 -39.6 80.8 34.7 21.3 57 64 A W H 3< S+ 0 0 19 -4,-2.6 -1,-0.3 1,-0.2 -2,-0.2 0.787 118.6 32.0 -64.6 -24.2 78.1 34.3 18.7 58 65 A T H << S+ 0 0 55 -3,-1.2 -1,-0.2 -4,-0.9 -2,-0.2 0.403 116.0 55.2-115.8 1.2 75.4 34.5 21.3 59 66 A D >X - 0 0 37 -4,-1.4 4,-2.7 -3,-0.3 3,-0.5 -0.813 58.5-167.2-137.7 98.4 76.9 36.8 23.9 60 67 A P H 3> S+ 0 0 103 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.861 90.0 54.2 -56.0 -36.0 78.0 40.2 22.7 61 68 A E H 3> S+ 0 0 164 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.902 111.2 43.8 -68.3 -37.8 79.9 41.0 25.9 62 69 A F H <> S+ 0 0 4 -3,-0.5 4,-3.2 2,-0.2 -1,-0.2 0.924 110.4 56.6 -70.0 -41.6 81.9 37.8 25.7 63 70 A R H X S+ 0 0 69 -4,-2.7 4,-2.4 -7,-0.3 5,-0.2 0.954 108.5 47.9 -51.2 -51.5 82.5 38.4 21.9 64 71 A Q H X S+ 0 0 123 -4,-2.6 4,-1.4 -5,-0.2 5,-0.3 0.899 112.2 48.2 -59.2 -37.2 84.0 41.7 22.8 65 72 A L H X S+ 0 0 47 -4,-1.6 4,-3.3 -5,-0.2 8,-0.3 0.950 110.5 51.6 -67.5 -44.0 86.2 40.2 25.5 66 73 A L H < S+ 0 0 0 -4,-3.2 23,-0.7 1,-0.2 -2,-0.2 0.902 113.0 45.3 -58.9 -39.3 87.4 37.4 23.2 67 74 A L H < S+ 0 0 43 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.691 122.8 35.1 -79.9 -20.7 88.3 40.0 20.5 68 75 A T H < S+ 0 0 94 -4,-1.4 -2,-0.2 -3,-0.3 -3,-0.2 0.730 137.5 11.8-102.2 -30.9 90.1 42.4 23.0 69 76 A D X + 0 0 77 -4,-3.3 4,-2.0 -5,-0.3 3,-0.4 -0.560 65.1 173.0-145.9 74.8 91.7 40.1 25.5 70 77 A G H > S+ 0 0 3 17,-0.5 4,-2.8 1,-0.2 5,-0.2 0.858 79.2 58.8 -57.1 -40.4 91.5 36.5 24.2 71 78 A T H > S+ 0 0 30 16,-0.9 4,-2.4 1,-0.2 -1,-0.2 0.918 107.1 47.9 -51.6 -50.1 93.6 35.2 27.1 72 79 A A H > S+ 0 0 34 -3,-0.4 4,-1.5 2,-0.2 -2,-0.2 0.888 112.0 48.5 -60.2 -46.6 91.1 36.5 29.6 73 80 A A H X S+ 0 0 0 -4,-2.0 4,-0.8 -8,-0.3 3,-0.4 0.940 113.9 46.2 -58.3 -48.5 88.1 35.0 27.7 74 81 A V H ><>S+ 0 0 0 -4,-2.8 5,-2.1 1,-0.2 3,-0.9 0.884 107.3 57.9 -63.8 -36.7 89.8 31.6 27.4 75 82 A A H ><5S+ 0 0 45 -4,-2.4 3,-1.1 1,-0.3 -1,-0.2 0.823 94.5 65.9 -65.5 -29.2 90.8 31.7 31.0 76 83 A Q H 3<5S+ 0 0 117 -4,-1.5 -1,-0.3 -3,-0.4 -2,-0.2 0.843 107.2 41.9 -57.6 -36.5 87.2 32.0 32.0 77 84 A Y T <<5S- 0 0 51 -3,-0.9 -1,-0.3 -4,-0.8 -2,-0.2 0.461 115.7-116.9 -86.4 -7.5 86.7 28.5 30.6 78 85 A G T < 5S+ 0 0 55 -3,-1.1 -3,-0.2 -4,-0.5 -2,-0.1 0.737 75.8 127.9 78.6 26.1 89.9 27.2 32.1 79 86 A Y < + 0 0 41 -5,-2.1 -4,-0.2 -31,-0.1 -5,-0.1 0.239 25.2 119.1-106.3 15.6 91.4 26.5 28.7 80 87 A L + 0 0 55 -6,-0.2 5,-0.2 -5,-0.1 -9,-0.0 -0.398 38.3 127.8 -63.9 154.1 94.8 28.2 28.9 81 88 A G B > -A 84 0A 7 3,-1.0 3,-1.7 -2,-0.0 31,-0.1 -0.988 57.3 -22.0 178.1-173.4 97.8 25.8 28.5 82 89 A P T 3 S+ 0 0 43 0, 0.0 28,-0.0 0, 0.0 0, 0.0 -0.286 131.6 8.7 -53.4 132.3 101.0 25.1 26.7 83 90 A N T 3 S+ 0 0 38 27,-0.1 27,-0.6 26,-0.1 25,-0.0 0.806 125.1 73.5 59.1 34.6 101.1 26.9 23.4 84 91 A G B < +A 81 0A 2 -3,-1.7 -3,-1.0 25,-0.2 3,-0.2 0.071 54.9 105.6-167.3 43.0 98.0 28.7 24.5 85 92 A E S S+ 0 0 113 1,-0.2 2,-0.5 73,-0.2 74,-0.1 0.689 84.4 40.6 -98.8 -27.8 99.0 31.2 27.1 86 93 A Y S S- 0 0 18 72,-0.5 74,-2.4 2,-0.0 2,-0.4 -0.923 81.5-173.3-125.8 96.4 98.7 34.4 25.1 87 94 A I E -b 160 0B 3 -2,-0.5 -16,-0.9 72,-0.2 -17,-0.5 -0.787 13.7-177.4-101.6 130.0 95.6 34.1 22.9 88 95 A V E -b 161 0B 23 72,-2.4 74,-1.7 -2,-0.4 2,-0.4 -0.988 11.2-157.1-123.5 123.6 94.4 36.5 20.2 89 96 A A E -b 162 0B 5 -23,-0.7 2,-0.4 -2,-0.4 74,-0.2 -0.820 9.1-152.4 -92.5 135.9 91.1 35.8 18.4 90 97 A V E -b 163 0B 8 72,-2.4 74,-3.1 -2,-0.4 2,-0.5 -0.943 12.8-132.3-118.6 132.2 90.8 37.4 14.9 91 98 A E E -b 164 0B 79 -2,-0.4 2,-0.2 72,-0.2 72,-0.1 -0.712 6.5-145.9 -95.1 117.6 87.4 38.3 13.6 92 99 A D - 0 0 7 72,-2.5 5,-0.2 -2,-0.5 98,-0.0 -0.506 25.2-179.2 -67.1 149.1 86.1 37.4 10.1 93 100 A T B > -C 96 0C 32 3,-2.2 3,-1.6 -2,-0.2 73,-0.1 -0.871 47.7 -86.0-140.9 170.8 83.8 40.1 8.6 94 101 A P T 3 S+ 0 0 89 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 0.705 131.7 33.8 -59.8 -9.8 81.9 40.4 5.4 95 102 A T T 3 S+ 0 0 85 1,-0.2 54,-2.3 53,-0.1 2,-0.4 0.273 114.7 60.9-126.0 15.5 85.0 41.9 3.8 96 103 A L E < -Cd 93 149C 21 -3,-1.6 -3,-2.2 52,-0.2 2,-0.5 -0.964 50.4-172.9-147.5 127.6 87.8 40.0 5.7 97 104 A K E - d 0 150C 8 52,-3.0 54,-2.8 -2,-0.4 2,-0.3 -0.986 17.3-154.1-119.3 121.5 88.7 36.3 5.9 98 105 A N E - d 0 151C 1 -2,-0.5 2,-0.3 52,-0.2 54,-0.2 -0.763 11.7-176.2 -98.6 145.0 91.5 35.3 8.4 99 106 A V E - d 0 152C 0 52,-2.3 54,-3.4 -2,-0.3 2,-0.4 -0.991 12.4-144.6-142.6 141.0 93.8 32.3 8.1 100 107 A I E + d 0 153C 5 89,-2.1 2,-0.3 -2,-0.3 54,-0.2 -0.865 24.7 155.5-113.8 142.2 96.5 31.0 10.4 101 108 A V E - d 0 154C 0 52,-2.3 54,-3.1 -2,-0.4 2,-0.4 -0.964 37.3-141.3-146.4 166.0 99.8 29.3 9.7 102 109 A C > - 0 0 0 18,-0.4 3,-0.9 -2,-0.3 52,-0.1 -0.867 22.1-178.9-122.3 93.1 103.2 28.7 11.1 103 110 A S T 3 S+ 0 0 0 -2,-0.4 103,-0.7 1,-0.2 104,-0.1 0.824 80.3 50.1 -64.7 -26.3 105.4 29.0 8.1 104 111 A L T 3 S- 0 0 4 51,-0.2 -1,-0.2 101,-0.1 52,-0.0 0.588 135.5 -37.8 -88.0 -10.4 108.6 28.2 10.1 105 112 A X S < S- 0 0 10 -3,-0.9 -3,-0.2 2,-0.1 21,-0.1 -0.169 89.4 -61.3-173.2 -91.1 107.3 25.0 11.9 106 113 A S + 0 0 6 49,-0.2 -3,-0.1 -5,-0.1 -4,-0.0 0.371 55.2 170.8-164.7 4.9 103.8 24.3 13.2 107 114 A X + 0 0 9 48,-0.3 2,-0.3 -6,-0.0 48,-0.2 0.038 16.0 161.2 -44.3 129.5 102.9 26.8 15.9 108 115 A T - 0 0 7 52,-0.1 2,-2.3 8,-0.0 54,-0.1 -0.979 54.3-102.1-154.8 142.7 99.3 26.4 16.9 109 116 A A >> - 0 0 1 52,-0.5 4,-2.1 -2,-0.3 3,-1.1 -0.524 48.7-175.7 -72.0 75.0 96.9 27.3 19.8 110 117 A W H 3> + 0 0 12 -2,-2.3 4,-2.2 -27,-0.6 -1,-0.2 0.822 67.7 52.3 -46.8 -52.1 97.1 23.7 21.1 111 118 A P H 34 S+ 0 0 1 0, 0.0 -66,-1.5 0, 0.0 -1,-0.3 0.789 122.4 28.0 -68.0 -22.3 94.7 23.8 24.0 112 119 A I H <4 S+ 0 0 1 -3,-1.1 -63,-1.6 -68,-0.2 -62,-0.2 0.554 132.8 32.2-112.7 -10.0 91.7 25.2 22.0 113 120 A L H < S- 0 0 5 -4,-2.1 -3,-0.2 -65,-0.1 76,-0.1 0.515 105.1-124.3-110.5 -15.7 92.4 24.0 18.5 114 121 A G < - 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0 0 32 -107,-0.1 -1,-0.3 4,-0.0 4,-0.1 -0.199 50.4 -23.2 74.8-168.0 92.7 10.4 11.8 225 26 B P - 0 0 86 0, 0.0 -184,-0.0 0, 0.0 3,-0.0 -0.314 67.8-104.4 -75.5 163.6 93.8 10.2 15.4 226 27 B T S S+ 0 0 55 1,-0.1 2,-0.5 -185,-0.1 -185,-0.0 0.914 113.4 35.8 -47.5 -50.1 96.1 12.7 17.1 227 28 B F - 0 0 11 1,-0.1 -1,-0.1 -190,-0.0 3,-0.0 -0.931 64.1-169.6-111.7 129.2 99.0 10.3 16.8 228 29 B H S S+ 0 0 100 -2,-0.5 2,-0.3 -4,-0.1 -1,-0.1 0.334 76.6 38.0-100.8 4.3 99.3 8.0 13.8 229 30 B A S > S- 0 0 29 1,-0.0 3,-1.5 -217,-0.0 4,-0.3 -0.986 85.4-115.9-147.0 154.5 102.0 5.8 15.3 230 31 B E T 3 S+ 0 0 132 -2,-0.3 3,-0.2 1,-0.3 4,-0.0 0.661 113.4 49.3 -70.5 -10.2 102.6 4.6 18.8 231 32 B W T > S+ 0 0 21 1,-0.1 3,-1.9 2,-0.1 -1,-0.3 0.545 82.3 94.3 -94.5 -8.2 105.9 6.6 19.1 232 33 B E T < S+ 0 0 31 -3,-1.5 4,-0.5 1,-0.3 -1,-0.1 0.702 77.6 58.2 -71.7 -17.0 104.6 10.0 17.9 233 34 B H T 3> S+ 0 0 11 -4,-0.3 4,-2.0 -3,-0.2 -1,-0.3 0.642 90.0 79.0 -77.9 -12.3 103.8 11.4 21.3 234 35 B L H <> S+ 0 0 1 -3,-1.9 4,-2.9 1,-0.2 5,-0.4 0.938 83.5 55.8 -68.9 -46.5 107.4 10.9 22.4 235 36 B P H > S+ 0 0 0 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.950 114.7 38.1 -56.6 -43.9 109.1 13.9 20.8 236 37 B Y H > S+ 0 0 4 -4,-0.5 4,-2.2 2,-0.2 -2,-0.2 0.915 117.7 50.6 -69.9 -39.0 106.8 16.6 22.3 237 38 B S H X S+ 0 0 0 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.899 113.5 44.8 -64.6 -39.8 106.7 14.7 25.7 238 39 B L H X S+ 0 0 0 -4,-2.9 4,-2.6 -5,-0.3 -1,-0.2 0.835 108.0 58.3 -77.1 -24.1 110.4 14.4 25.8 239 40 B M H X S+ 0 0 15 -4,-1.8 4,-2.3 -5,-0.4 -2,-0.2 0.956 108.7 45.6 -63.0 -43.6 110.8 18.0 24.8 240 41 B F H X>S+ 0 0 31 -4,-2.2 4,-3.2 1,-0.2 5,-0.8 0.889 109.9 54.6 -69.9 -34.9 108.8 19.0 27.8 241 42 B A H X>S+ 0 0 3 -4,-2.3 5,-2.9 1,-0.2 4,-1.4 0.953 110.9 45.9 -57.8 -48.4 110.8 16.7 29.9 242 43 B G H <5S+ 0 0 0 -4,-2.6 6,-2.6 3,-0.2 7,-0.8 0.884 120.9 37.8 -60.7 -39.8 114.0 18.4 28.7 243 44 B V H <5S+ 0 0 44 -4,-2.3 -2,-0.2 4,-0.2 -3,-0.2 0.960 130.1 23.8 -78.3 -51.8 112.5 21.9 29.3 244 45 B A H <5S+ 0 0 67 -4,-3.2 -3,-0.2 -5,-0.2 -2,-0.1 0.770 132.4 28.5 -93.2 -31.0 110.5 21.6 32.5 245 46 B E T < - 0 0 18 116,-0.3 4,-1.2 -2,-0.3 3,-0.2 -0.614 33.8-111.1 -98.4 165.1 114.6 26.0 26.0 251 52 B V H >> S+ 0 0 49 1,-0.2 4,-2.0 -2,-0.2 3,-0.6 0.911 120.7 59.1 -59.8 -36.6 111.8 25.5 23.5 252 53 B D H 3> S+ 0 0 21 1,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.883 99.8 55.3 -62.4 -37.9 113.6 28.0 21.3 253 54 B E H 3> S+ 0 0 14 113,-0.3 4,-2.4 1,-0.2 -1,-0.3 0.815 105.5 53.6 -64.0 -30.5 116.7 25.6 21.3 254 55 B V H < S+ 0 0 5 -4,-1.8 3,-1.9 1,-0.2 -1,-0.2 0.913 107.5 52.8 -70.8 -42.4 115.4 21.3 14.0 259 60 B E H 3< S+ 0 0 13 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.810 103.3 61.4 -59.1 -26.3 116.5 24.2 11.7 260 61 B R T 3< S+ 0 0 14 -4,-1.7 46,-2.6 -5,-0.2 -1,-0.3 0.412 74.0 120.1 -84.3 1.3 120.0 22.7 12.0 261 62 B M S < S- 0 0 5 -3,-1.9 44,-0.1 44,-0.3 5,-0.1 -0.356 85.7 -90.7 -57.2 143.4 119.1 19.5 10.4 262 63 B E > - 0 0 48 42,-0.3 4,-2.9 1,-0.1 5,-0.2 -0.353 45.5-116.7 -52.1 135.3 121.1 18.9 7.3 263 64 B P H > S+ 0 0 61 0, 0.0 4,-2.0 0, 0.0 -1,-0.1 0.870 112.2 43.2 -55.8 -45.4 118.9 20.5 4.6 264 65 B R H > S+ 0 0 129 2,-0.2 4,-1.3 1,-0.2 5,-0.1 0.911 113.3 54.2 -65.6 -38.1 118.2 17.4 2.5 265 66 B H H >> S+ 0 0 6 1,-0.2 4,-0.7 2,-0.2 3,-0.7 0.934 108.0 50.3 -57.6 -46.1 117.6 15.4 5.7 266 67 B Y H >< S+ 0 0 3 -4,-2.9 3,-1.1 1,-0.2 -1,-0.2 0.921 108.2 53.1 -55.4 -49.3 115.1 18.1 6.8 267 68 B M H 3< S+ 0 0 74 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.735 113.6 39.6 -67.8 -23.7 113.2 17.9 3.5 268 69 B M H << S+ 0 0 89 -4,-1.3 -1,-0.3 -3,-0.7 -2,-0.2 0.357 96.5 95.6-104.9 8.3 112.7 14.1 3.5 269 70 B T S << S- 0 0 4 -3,-1.1 5,-0.1 -4,-0.7 -4,-0.0 -0.818 75.1-121.2-102.7 127.7 111.9 13.7 7.2 270 71 B P > - 0 0 81 0, 0.0 4,-1.8 0, 0.0 3,-0.4 -0.272 33.7-105.3 -59.0 151.4 108.3 13.6 8.5 271 72 B Y H >> S+ 0 0 24 1,-0.2 4,-1.3 2,-0.2 3,-0.5 0.896 116.0 44.7 -44.9 -58.4 107.4 16.3 11.1 272 73 B Y H 3> S+ 0 0 12 1,-0.3 4,-1.6 2,-0.2 -1,-0.2 0.879 110.6 55.9 -67.2 -29.8 107.4 14.3 14.3 273 74 B E H 3> S+ 0 0 16 -3,-0.4 4,-2.6 1,-0.2 -1,-0.3 0.856 98.9 60.9 -68.0 -30.2 110.6 12.5 13.3 274 75 B R H S+ 0 0 0 -4,-2.6 5,-2.1 2,-0.2 6,-2.0 0.871 112.9 42.5 -60.6 -35.7 120.5 15.6 24.7 284 85 B V H ><5S+ 0 0 39 -4,-2.0 3,-1.8 4,-0.2 -2,-0.2 0.962 114.7 49.5 -71.9 -48.2 123.8 14.8 23.1 285 86 B E H 3<5S+ 0 0 88 -4,-3.3 -2,-0.2 1,-0.3 -3,-0.2 0.850 110.1 50.4 -58.9 -37.9 125.0 18.4 22.8 286 87 B K T 3<5S- 0 0 87 -4,-2.9 -1,-0.3 -5,-0.2 -2,-0.2 0.428 116.8-114.9 -80.9 -1.5 124.0 19.2 26.5 287 88 B G T < 5S+ 0 0 64 -3,-1.8 -3,-0.2 2,-0.3 -2,-0.1 0.609 85.8 115.3 82.2 14.9 126.0 16.1 27.6 288 89 B I S - 0 0 69 -2,-0.3 4,-1.9 1,-0.1 5,-0.1 -0.859 18.6-128.9-112.4 157.2 125.7 10.0 23.9 291 92 B Q H > S+ 0 0 72 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.885 109.5 59.8 -66.3 -32.5 125.2 9.2 20.3 292 93 B D H > S+ 0 0 116 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.921 105.3 45.4 -62.8 -42.1 126.8 5.8 21.0 293 94 B E H > S+ 0 0 42 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.909 112.0 52.7 -72.7 -33.9 124.2 4.8 23.5 294 95 B L H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.914 112.7 43.9 -60.7 -42.8 121.4 6.1 21.2 295 96 B E H X>S+ 0 0 65 -4,-2.6 5,-1.6 2,-0.2 4,-1.5 0.879 112.9 52.7 -71.9 -34.6 122.6 4.0 18.3 296 97 B S H <5S+ 0 0 81 -4,-2.6 3,-0.2 -5,-0.2 -2,-0.2 0.942 114.3 41.6 -60.9 -47.7 123.2 1.0 20.6 297 98 B L H <5S+ 0 0 64 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.897 116.5 49.0 -66.2 -40.7 119.6 1.2 21.9 298 99 B A H <5S- 0 0 5 -4,-2.4 -1,-0.2 2,-0.2 -2,-0.2 0.663 103.7-130.8 -73.9 -19.4 118.2 1.9 18.4 299 100 B G T <5S+ 0 0 69 -4,-1.5 -3,-0.2 -3,-0.2 -4,-0.1 0.753 76.6 23.2 74.0 26.4 120.1 -1.0 16.8 300 101 B G S - 0 0 94 -2,-0.2 3,-2.2 1,-0.1 29,-0.3 -0.832 34.2 -84.0-115.2 153.9 102.3 52.0 19.0 324 125 B V T 3 S+ 0 0 98 -2,-0.3 29,-0.2 1,-0.3 3,-0.1 -0.256 117.2 26.0 -50.7 135.7 99.3 50.6 17.2 325 126 B G T 3 S+ 0 0 53 27,-2.8 -1,-0.3 1,-0.3 2,-0.1 0.200 89.8 129.7 91.4 -15.1 99.1 52.3 13.8 326 127 B Q < - 0 0 84 -3,-2.2 26,-2.4 26,-0.1 2,-0.4 -0.467 59.0-122.7 -75.3 148.2 102.8 53.2 13.5 327 128 B R E +F 351 0C 155 24,-0.2 83,-2.1 -2,-0.1 2,-0.3 -0.739 36.4 178.6 -87.6 133.7 104.7 52.3 10.3 328 129 B V E -FG 350 409C 1 22,-3.0 22,-2.3 -2,-0.4 2,-0.4 -0.935 21.7-141.7-135.2 157.4 107.8 50.1 10.9 329 130 B R E -FG 349 408C 76 79,-2.7 79,-1.8 -2,-0.3 2,-0.5 -0.954 25.5-119.6-114.4 139.9 110.4 48.4 8.8 330 131 B V E - G 0 407C 0 18,-2.5 17,-1.1 -2,-0.4 77,-0.3 -0.665 46.0-100.9 -74.7 126.4 111.8 45.0 9.5 331 132 B R - 0 0 41 75,-2.8 2,-1.9 -2,-0.5 16,-0.3 -0.214 25.8-126.7 -51.1 131.5 115.6 45.5 10.2 332 133 B D + 0 0 112 14,-0.2 2,-0.3 15,-0.1 -1,-0.2 -0.591 63.0 136.1 -81.6 74.1 117.6 44.5 7.1 333 134 B E - 0 0 68 -2,-1.9 2,-0.5 73,-0.1 14,-0.0 -0.910 49.6-142.4-126.7 150.7 119.8 42.2 9.0 334 135 B Y - 0 0 150 -2,-0.3 -2,-0.0 12,-0.0 -3,-0.0 -0.985 16.7-171.9-117.9 121.7 121.2 38.7 8.4 335 136 B V - 0 0 13 -2,-0.5 -134,-0.1 2,-0.1 4,-0.1 -0.980 11.6-165.8-115.4 115.6 121.3 36.3 11.4 336 137 B P S S+ 0 0 87 0, 0.0 -27,-0.2 0, 0.0 -26,-0.1 0.773 75.6 51.6 -75.4 -26.5 123.1 33.0 10.9 337 138 B G S S- 0 0 0 1,-0.2 -2,-0.1 -28,-0.1 27,-0.1 -0.006 113.4 -33.9 -91.5-155.8 121.7 31.5 14.1 338 139 B H + 0 0 0 26,-0.2 2,-0.3 25,-0.1 -1,-0.2 -0.324 62.6 161.2 -69.3 142.2 118.2 31.3 15.3 339 140 B I - 0 0 14 -139,-0.1 2,-0.1 -3,-0.1 23,-0.0 -0.974 37.0-142.4-154.8 142.4 115.8 34.1 14.4 340 141 B R S S+ 0 0 3 -2,-0.3 63,-0.2 2,-0.1 -184,-0.1 -0.233 72.4 102.5-104.2 46.9 111.9 34.3 14.4 341 142 B M - 0 0 7 61,-0.1 2,-0.1 -2,-0.1 5,-0.1 -0.941 67.5-140.4-125.0 108.9 111.8 36.5 11.3 342 143 B P > - 0 0 0 0, 0.0 3,-2.0 0, 0.0 4,-0.4 -0.492 24.2-120.1 -68.8 142.8 110.8 34.7 8.0 343 144 B A G > S+ 0 0 33 1,-0.3 3,-1.3 2,-0.2 -142,-0.0 0.739 103.1 76.6 -63.9 -23.8 112.9 36.1 5.2 344 145 B Y G 3 S+ 0 0 24 1,-0.3 -1,-0.3 -137,-0.2 -136,-0.0 0.722 100.8 42.3 -56.7 -22.8 109.9 37.3 3.2 345 146 B C G X S+ 0 0 0 -3,-2.0 3,-2.3 2,-0.1 -15,-0.4 0.549 80.7 125.2-104.5 -3.8 109.5 40.2 5.5 346 147 B R T < S+ 0 0 34 -3,-1.3 -14,-0.2 -4,-0.4 -15,-0.1 -0.290 88.6 1.6 -54.9 129.8 113.2 41.2 5.9 347 148 B G T 3 S+ 0 0 28 -17,-1.1 -1,-0.3 -16,-0.3 2,-0.2 0.501 104.7 127.3 75.5 1.2 113.5 44.9 5.0 348 149 B R < - 0 0 106 -3,-2.3 -18,-2.5 -17,-0.1 2,-0.4 -0.588 54.3-125.9 -98.2 158.5 109.8 45.3 4.3 349 150 B V E +F 329 0C 22 -20,-0.2 35,-0.4 -2,-0.2 2,-0.2 -0.855 36.0 150.4-107.9 137.9 107.4 47.9 5.8 350 151 B G E -F 328 0C 0 -22,-2.3 -22,-3.0 -2,-0.4 2,-0.4 -0.816 38.7-101.4-147.2-174.0 104.2 47.3 7.6 351 152 B T E -FH 327 382C 35 31,-2.1 31,-2.9 -2,-0.2 2,-0.4 -0.916 32.1-113.0-120.8 144.6 101.9 48.8 10.3 352 153 B I E + H 0 381C 2 -26,-2.4 -27,-2.8 -2,-0.4 29,-0.2 -0.546 33.3 169.3 -75.8 124.9 101.5 47.8 13.9 353 154 B S E + 0 0 53 27,-3.2 2,-0.3 -2,-0.4 -1,-0.2 0.623 69.5 12.0-107.1 -11.9 98.1 46.3 14.7 354 155 B H E - H 0 380C 47 26,-0.9 26,-2.1 -31,-0.1 2,-0.5 -0.955 51.1-158.1-161.1 139.3 99.1 45.0 18.3 355 156 B R E - H 0 379C 88 -2,-0.3 24,-0.2 24,-0.2 -31,-0.1 -0.986 39.0-116.7-114.6 124.2 101.8 45.3 20.9 356 157 B T - 0 0 5 22,-2.9 -2,-0.0 -2,-0.5 -270,-0.0 -0.255 7.1-143.3 -64.8 149.9 101.8 42.4 23.3 357 158 B T S S+ 0 0 112 20,-0.1 2,-0.3 2,-0.0 -1,-0.2 0.374 85.4 59.8 -89.9 6.4 101.1 43.1 26.9 358 159 B E S S- 0 0 112 20,-0.1 20,-0.4 18,-0.0 2,-0.3 -0.840 74.6-141.6-124.5 162.9 103.6 40.4 27.9 359 160 B K - 0 0 114 -2,-0.3 -2,-0.0 18,-0.2 16,-0.0 -0.944 14.5-170.7-130.0 152.7 107.3 40.1 27.2 360 161 B W B -J 376 0D 39 16,-2.8 16,-2.5 -2,-0.3 -202,-0.0 -0.936 34.8 -81.6-140.2 159.1 109.5 37.1 26.3 361 162 B P - 0 0 52 0, 0.0 13,-0.2 0, 0.0 14,-0.2 -0.256 55.3-100.0 -61.1 140.3 113.2 36.2 25.9 362 163 B F >> - 0 0 0 11,-2.3 4,-2.4 1,-0.1 3,-1.6 -0.457 28.2-141.1 -62.1 122.3 114.7 37.2 22.5 363 164 B P H 3> S+ 0 0 1 0, 0.0 4,-2.6 0, 0.0 -1,-0.1 0.825 96.9 64.5 -58.3 -32.7 114.8 34.0 20.4 364 165 B D H 34 S+ 0 0 0 2,-0.2 -51,-1.7 1,-0.2 -26,-0.2 0.651 115.7 31.1 -69.0 -13.7 118.1 34.8 18.8 365 166 B A H X4>S+ 0 0 0 -3,-1.6 5,-2.1 -53,-0.2 3,-1.9 0.819 122.3 43.3-102.1 -56.8 119.7 34.5 22.3 366 167 B I H ><5S+ 0 0 36 -4,-2.4 3,-1.6 1,-0.3 -116,-0.3 0.819 104.7 67.2 -65.7 -26.1 117.5 31.9 24.2 367 168 B G T 3<5S+ 0 0 1 -4,-2.6 -1,-0.3 -5,-0.4 -3,-0.1 0.576 107.0 41.3 -66.3 -10.3 117.5 29.7 21.0 368 169 B H T < 5S- 0 0 32 -3,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.226 120.0-108.4-115.9 9.4 121.3 29.3 21.7 369 170 B G T < 5 + 0 0 40 -3,-1.6 -3,-0.2 1,-0.2 -2,-0.1 0.736 64.1 160.1 73.3 21.9 121.0 28.9 25.5 370 171 B R < - 0 0 66 -5,-2.1 3,-0.4 -57,-0.1 -1,-0.2 -0.346 45.8-136.3 -79.2 162.1 122.5 32.3 26.1 371 172 B N S S+ 0 0 161 1,-0.2 3,-0.2 2,-0.1 -1,-0.1 0.274 93.7 68.7 -95.9 2.6 122.1 34.3 29.4 372 173 B D + 0 0 49 1,-0.1 -57,-2.4 -10,-0.1 -1,-0.2 -0.092 55.5 114.7-119.1 32.2 121.5 37.6 27.6 373 174 B A + 0 0 6 -3,-0.4 -11,-2.3 -59,-0.2 -1,-0.1 0.659 46.7 177.0 -75.8 -13.6 118.1 37.1 26.0 374 175 B G - 0 0 57 -3,-0.2 2,-0.3 -13,-0.2 -1,-0.2 -0.091 36.4 -77.3 46.5-138.6 116.4 39.7 28.2 375 176 B E + 0 0 125 -14,-0.2 -1,-0.1 2,-0.0 -16,-0.0 -0.955 46.2 172.5-159.4 144.4 112.8 40.3 27.4 376 177 B E B -J 360 0D 6 -16,-2.5 -16,-2.8 -2,-0.3 2,-0.1 -0.994 28.6-120.1-143.7 152.0 110.8 42.1 24.7 377 178 B P - 0 0 9 0, 0.0 27,-2.1 0, 0.0 2,-0.3 -0.428 30.3-130.9 -79.4 167.8 107.3 42.4 23.6 378 179 B T E - I 0 403C 0 -20,-0.4 -22,-2.9 25,-0.2 2,-0.4 -0.780 12.3-140.2-117.8 167.5 106.3 41.4 20.1 379 180 B Y E -HI 355 402C 0 23,-2.2 23,-2.7 -2,-0.3 2,-0.9 -0.990 13.2-131.9-130.2 132.9 104.3 43.2 17.5 380 181 B H E -HI 354 401C 4 -26,-2.1 -27,-3.2 -2,-0.4 -26,-0.9 -0.756 33.9-165.9 -77.8 110.5 101.6 42.1 15.1 381 182 B V E -HI 352 400C 0 19,-3.1 19,-2.4 -2,-0.9 2,-0.6 -0.926 6.8-150.4-106.8 120.3 102.9 43.7 11.9 382 183 B K E -HI 351 399C 71 -31,-2.9 -31,-2.1 -2,-0.6 2,-0.4 -0.805 14.6-174.2 -91.6 123.0 100.6 43.9 9.0 383 184 B F E - 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