==== 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 11-JUL-08 2ZPF . COMPND 2 MOLECULE: NITRILE HYDRATASE SUBUNIT ALPHA; . SOURCE 2 ORGANISM_SCIENTIFIC: RHODOCOCCUS ERYTHROPOLIS; . AUTHOR K.HASHIMOTO,H.SUZUKI,K.TANIGUCHI,T.NOGUCHI,M.YOHDA,M.ODAKA . 407 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16521.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 256 62.9 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 . 45 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 109 26.8 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 2 2 2 1 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 0 218 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 128.7 123.8 12.0 -4.5 2 10 A N + 0 0 103 1,-0.2 2,-0.0 0, 0.0 0, 0.0 0.602 360.0 156.3 64.9 14.8 120.9 13.6 -2.5 3 11 A A - 0 0 80 1,-0.1 -1,-0.2 0, 0.0 260,-0.1 -0.307 48.2-100.6 -72.7 153.2 120.1 10.2 -0.9 4 12 A A - 0 0 62 1,-0.1 -1,-0.1 258,-0.1 2,-0.1 -0.402 41.2-107.8 -65.3 145.0 118.4 9.8 2.4 5 13 A P - 0 0 48 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.465 41.3 -96.2 -70.0 149.7 120.6 8.9 5.4 6 14 A A + 0 0 75 -2,-0.1 2,-0.3 294,-0.0 292,-0.0 -0.492 54.7 178.0 -63.3 133.1 120.4 5.4 6.7 7 15 A Q - 0 0 47 -2,-0.2 293,-0.2 293,-0.1 3,-0.1 -0.995 31.4-121.3-143.7 139.1 117.9 5.3 9.6 8 16 A A - 0 0 8 291,-2.8 5,-0.1 -2,-0.3 290,-0.1 -0.276 62.6 -69.5 -60.7 158.3 116.5 2.7 11.9 9 17 A P > - 0 0 82 0, 0.0 4,-2.0 0, 0.0 3,-0.4 -0.245 46.6-121.1 -52.3 142.4 112.6 2.5 11.8 10 18 A V H > S+ 0 0 34 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.867 111.8 55.7 -57.9 -38.4 111.1 5.6 13.3 11 19 A S H > S+ 0 0 46 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.913 107.8 49.8 -59.6 -41.5 109.2 3.7 15.9 12 20 A D H > S+ 0 0 72 -3,-0.4 4,-1.8 1,-0.2 -1,-0.2 0.889 113.0 46.6 -64.4 -39.1 112.5 2.1 17.1 13 21 A R H X S+ 0 0 7 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.911 112.5 48.9 -68.3 -43.9 114.1 5.6 17.3 14 22 A A H X S+ 0 0 0 -4,-3.0 4,-2.0 2,-0.2 -2,-0.2 0.941 115.0 43.9 -62.7 -46.4 111.2 7.2 19.1 15 23 A W H X S+ 0 0 73 -4,-2.6 4,-3.0 -5,-0.2 -1,-0.2 0.846 109.7 57.7 -69.9 -29.3 111.0 4.4 21.7 16 24 A A H X S+ 0 0 0 -4,-1.8 4,-2.8 -5,-0.2 5,-0.2 0.925 106.3 49.3 -62.1 -44.3 114.9 4.4 22.0 17 25 A L H X S+ 0 0 2 -4,-2.2 4,-1.8 2,-0.2 5,-0.2 0.939 113.2 47.0 -60.7 -46.3 114.7 8.1 23.0 18 26 A F H X S+ 0 0 27 -4,-2.0 4,-3.2 1,-0.2 5,-0.2 0.946 114.5 46.0 -56.6 -52.1 112.0 7.3 25.6 19 27 A R H X S+ 0 0 110 -4,-3.0 4,-2.7 1,-0.2 -2,-0.2 0.866 109.2 54.8 -65.2 -37.4 113.9 4.3 27.0 20 28 A A H < S+ 0 0 4 -4,-2.8 4,-0.3 -5,-0.2 -1,-0.2 0.922 117.2 36.6 -61.4 -43.4 117.2 6.2 27.2 21 29 A L H ><>S+ 0 0 2 -4,-1.8 5,-2.0 -5,-0.2 3,-1.1 0.912 117.7 50.1 -75.7 -44.7 115.6 9.0 29.2 22 30 A D H ><5S+ 0 0 70 -4,-3.2 3,-1.8 1,-0.2 5,-0.2 0.889 105.1 57.7 -61.0 -40.7 113.3 6.7 31.3 23 31 A G T 3<5S+ 0 0 69 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.601 104.8 53.3 -66.9 -12.0 116.2 4.4 32.2 24 32 A K T < 5S- 0 0 105 -3,-1.1 -1,-0.3 -4,-0.3 -2,-0.2 0.287 117.9-111.1-104.3 6.4 118.0 7.4 33.7 25 33 A G T < 5S+ 0 0 68 -3,-1.8 -3,-0.2 2,-0.1 -2,-0.1 0.636 83.8 122.7 76.3 16.0 115.0 8.3 35.9 26 34 A L < + 0 0 52 -5,-2.0 -4,-0.2 1,-0.1 -3,-0.1 0.551 57.9 66.7 -90.0 -9.8 114.4 11.5 33.9 27 35 A V S S- 0 0 7 -6,-0.4 3,-0.1 -5,-0.2 -1,-0.1 -0.949 84.5-130.2-115.3 111.1 110.7 10.7 33.0 28 36 A P > - 0 0 54 0, 0.0 3,-1.9 0, 0.0 4,-0.3 -0.120 41.8 -78.8 -54.8 155.0 108.3 10.6 35.9 29 37 A D T 3 S+ 0 0 166 1,-0.3 -7,-0.0 2,-0.1 0, 0.0 -0.334 116.4 2.9 -55.5 130.5 105.9 7.6 36.3 30 38 A G T 3> S+ 0 0 45 -3,-0.1 4,-2.1 1,-0.1 -1,-0.3 0.585 93.1 132.0 71.5 11.9 103.0 7.9 33.9 31 39 A Y H <> S+ 0 0 31 -3,-1.9 4,-2.1 2,-0.2 5,-0.2 0.955 72.0 36.0 -64.6 -56.7 104.4 11.1 32.3 32 40 A V H > S+ 0 0 1 -4,-0.3 4,-2.5 1,-0.2 -1,-0.2 0.854 117.2 54.9 -69.1 -31.4 104.1 10.4 28.6 33 41 A E H > S+ 0 0 110 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.885 107.4 50.8 -64.6 -40.9 100.9 8.5 29.1 34 42 A G H X S+ 0 0 33 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.907 111.1 47.2 -63.3 -45.9 99.4 11.6 30.9 35 43 A W H X S+ 0 0 43 -4,-2.1 4,-3.1 2,-0.2 5,-0.2 0.924 108.4 55.3 -62.5 -42.8 100.4 13.9 28.0 36 44 A K H X S+ 0 0 36 -4,-2.5 4,-2.2 1,-0.2 5,-0.2 0.918 108.9 48.4 -55.3 -44.4 99.0 11.4 25.5 37 45 A K H X>S+ 0 0 113 -4,-2.0 4,-2.8 2,-0.2 5,-0.7 0.910 111.8 49.0 -63.8 -44.1 95.6 11.6 27.4 38 46 A T H X>S+ 0 0 37 -4,-2.2 5,-2.4 1,-0.2 4,-1.5 0.947 113.4 47.0 -56.8 -49.8 95.7 15.4 27.4 39 47 A F H <5S+ 0 0 1 -4,-3.1 75,-0.4 1,-0.2 -2,-0.2 0.840 120.9 37.1 -63.1 -36.5 96.5 15.5 23.7 40 48 A E H <5S+ 0 0 75 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.825 131.6 19.9 -86.2 -34.2 93.8 13.1 22.8 41 49 A E H <5S+ 0 0 113 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.2 0.736 126.8 34.7-114.4 -31.1 91.0 13.9 25.2 42 50 A D T <> - 0 0 28 66,-1.5 3,-1.6 -2,-0.5 4,-0.8 -0.983 62.3-130.4-159.6 139.6 89.9 19.7 21.4 45 53 A P H 3> S+ 0 0 24 0, 0.0 4,-2.4 0, 0.0 5,-0.1 0.613 103.2 78.4 -67.3 -9.6 88.3 21.9 18.8 46 54 A R H 3> S+ 0 0 102 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.832 91.5 53.6 -63.8 -30.1 85.0 21.2 20.7 47 55 A R H <> S+ 0 0 49 -3,-1.6 4,-1.9 2,-0.2 -1,-0.2 0.950 108.2 46.6 -68.2 -50.1 86.4 23.8 23.1 48 56 A G H X S+ 0 0 0 63,-1.7 4,-2.3 -4,-0.8 -2,-0.2 0.902 110.9 54.0 -56.2 -41.4 86.8 26.4 20.4 49 57 A A H X S+ 0 0 0 -4,-2.4 4,-2.6 62,-0.2 -1,-0.2 0.883 106.1 52.5 -60.7 -40.4 83.3 25.6 19.1 50 58 A E H X S+ 0 0 51 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.891 109.4 49.4 -60.7 -40.9 81.9 26.2 22.5 51 59 A L H X S+ 0 0 0 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.900 111.9 48.0 -66.9 -41.7 83.6 29.6 22.6 52 60 A V H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.929 110.8 50.2 -64.2 -47.9 82.3 30.5 19.1 53 61 A A H X S+ 0 0 0 -4,-2.6 4,-1.1 2,-0.2 -2,-0.2 0.869 112.2 48.8 -59.4 -38.7 78.7 29.5 20.0 54 62 A R H >X S+ 0 0 59 -4,-2.0 4,-1.4 2,-0.2 3,-0.7 0.950 111.5 48.5 -65.4 -49.8 78.9 31.6 23.2 55 63 A A H 3< S+ 0 0 1 -4,-2.6 7,-0.4 1,-0.2 3,-0.3 0.886 109.5 54.2 -57.6 -39.5 80.2 34.6 21.3 56 64 A W H 3< S+ 0 0 28 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.789 118.8 33.2 -63.6 -30.7 77.4 34.2 18.7 57 65 A T H << S+ 0 0 55 -4,-1.1 -1,-0.2 -3,-0.7 -2,-0.2 0.474 116.8 54.5-107.5 -3.6 74.7 34.2 21.3 58 66 A D X - 0 0 35 -4,-1.4 4,-2.5 -3,-0.3 3,-0.3 -0.869 58.8-167.8-138.8 95.1 76.2 36.6 23.9 59 67 A P H > S+ 0 0 98 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.820 90.2 54.4 -55.5 -34.7 77.2 40.1 22.6 60 68 A E H > S+ 0 0 169 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.917 110.9 44.2 -66.9 -44.1 79.1 40.9 25.9 61 69 A F H > S+ 0 0 5 -3,-0.3 4,-3.3 2,-0.2 5,-0.2 0.892 109.4 57.8 -66.0 -39.8 81.2 37.7 25.6 62 70 A R H X S+ 0 0 67 -4,-2.5 4,-2.1 -7,-0.4 -2,-0.2 0.934 107.8 47.0 -53.9 -47.4 81.8 38.3 21.9 63 71 A Q H X S+ 0 0 100 -4,-2.1 4,-1.1 1,-0.2 5,-0.2 0.889 113.1 48.3 -65.6 -38.2 83.3 41.7 22.8 64 72 A L H >X S+ 0 0 49 -4,-1.9 4,-3.4 2,-0.2 3,-0.6 0.936 110.5 51.4 -63.6 -47.1 85.5 40.2 25.5 65 73 A L H 3< S+ 0 0 0 -4,-3.3 23,-0.7 1,-0.2 -2,-0.2 0.867 113.9 44.3 -58.2 -38.5 86.6 37.4 23.2 66 74 A L H 3< S+ 0 0 39 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.640 122.9 35.3 -83.7 -15.6 87.6 39.9 20.5 67 75 A T H << S+ 0 0 106 -4,-1.1 -2,-0.2 -3,-0.6 -3,-0.2 0.742 136.5 14.2-107.0 -33.9 89.4 42.4 22.9 68 76 A D X + 0 0 75 -4,-3.4 4,-2.1 -5,-0.2 3,-0.2 -0.606 65.7 171.5-143.1 77.0 90.9 40.1 25.5 69 77 A G H > S+ 0 0 3 17,-0.4 4,-2.7 1,-0.2 5,-0.2 0.862 78.6 57.3 -56.7 -40.1 90.9 36.5 24.1 70 78 A T H > S+ 0 0 29 16,-0.9 4,-2.4 1,-0.2 -1,-0.2 0.928 108.6 45.3 -57.8 -48.7 93.0 35.2 26.9 71 79 A A H > S+ 0 0 33 -3,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.901 113.0 50.9 -63.3 -41.9 90.6 36.4 29.6 72 80 A A H X S+ 0 0 0 -4,-2.1 4,-0.6 -8,-0.3 3,-0.4 0.930 113.0 44.8 -60.3 -47.2 87.6 35.0 27.6 73 81 A V H >X>S+ 0 0 0 -4,-2.7 5,-2.0 1,-0.2 3,-1.1 0.879 107.5 59.7 -65.7 -38.4 89.2 31.6 27.2 74 82 A A H ><5S+ 0 0 46 -4,-2.4 3,-0.9 1,-0.2 -1,-0.2 0.811 93.3 66.2 -59.3 -32.7 90.3 31.6 30.9 75 83 A Q H 3<5S+ 0 0 121 -4,-1.4 -1,-0.2 -3,-0.4 -2,-0.2 0.826 107.1 41.1 -58.9 -31.9 86.6 31.9 31.9 76 84 A Y H <<5S- 0 0 51 -3,-1.1 -1,-0.3 -4,-0.6 -2,-0.2 0.493 115.2-118.3 -90.4 -8.4 86.1 28.4 30.5 77 85 A G T <<5S+ 0 0 54 -3,-0.9 -3,-0.2 -4,-0.5 -2,-0.1 0.767 74.4 130.4 74.9 28.4 89.4 27.2 32.0 78 86 A Y < + 0 0 41 -5,-2.0 -4,-0.2 -31,-0.1 2,-0.1 0.256 25.9 117.5-103.7 10.8 90.7 26.4 28.5 79 87 A L + 0 0 65 -6,-0.2 5,-0.2 -5,-0.1 3,-0.0 -0.444 40.2 130.8 -65.7 152.2 94.1 28.1 28.7 80 88 A G B > -A 83 0A 15 3,-1.4 3,-1.8 -2,-0.1 31,-0.1 -0.981 55.3 -24.3-178.6-173.7 97.0 25.7 28.3 81 89 A P T 3 S+ 0 0 38 0, 0.0 28,-0.0 0, 0.0 0, 0.0 -0.276 130.4 9.3 -54.0 134.8 100.3 24.7 26.7 82 90 A Q T 3 S+ 0 0 26 27,-0.1 27,-0.8 26,-0.1 25,-0.1 0.782 125.8 71.1 59.7 30.8 100.5 26.5 23.3 83 91 A G B < +A 80 0A 2 -3,-1.8 -3,-1.4 25,-0.2 3,-0.2 -0.099 53.9 112.9-166.9 49.3 97.5 28.5 24.2 84 92 A E S S+ 0 0 144 1,-0.3 2,-0.5 73,-0.3 74,-0.1 0.686 81.2 39.8-100.7 -26.9 98.4 31.0 26.9 85 93 A Y S S- 0 0 18 72,-0.5 74,-2.5 2,-0.0 2,-0.4 -0.947 81.1-170.7-125.6 106.6 98.0 34.2 25.0 86 94 A I E -b 159 0B 3 -2,-0.5 -16,-0.9 72,-0.2 2,-0.4 -0.836 15.3-177.5-108.3 134.9 94.9 34.0 22.8 87 95 A V E -b 160 0B 23 72,-2.0 74,-1.6 -2,-0.4 2,-0.4 -0.994 12.7-155.7-126.4 123.8 93.7 36.4 20.1 88 96 A A E -b 161 0B 6 -23,-0.7 2,-0.5 -2,-0.4 74,-0.2 -0.823 10.6-149.0 -94.0 137.9 90.4 35.7 18.3 89 97 A V E -b 162 0B 6 72,-2.5 74,-3.0 -2,-0.4 2,-0.5 -0.937 11.8-131.9-117.2 130.7 90.0 37.2 14.8 90 98 A E E -b 163 0B 75 -2,-0.5 2,-0.2 72,-0.2 72,-0.1 -0.689 7.8-148.9 -93.5 117.9 86.6 38.3 13.5 91 99 A D - 0 0 9 72,-2.5 5,-0.2 -2,-0.5 -1,-0.0 -0.547 23.9-179.0 -72.0 148.4 85.3 37.3 10.1 92 100 A T B > -C 95 0C 33 3,-2.2 3,-1.4 -2,-0.2 73,-0.1 -0.852 48.0 -86.0-139.9 171.6 83.0 39.9 8.6 93 101 A P T 3 S+ 0 0 91 0, 0.0 3,-0.1 0, 0.0 53,-0.1 0.635 132.5 32.1 -58.5 -10.8 81.0 40.3 5.3 94 102 A T T 3 S+ 0 0 86 1,-0.1 54,-2.7 53,-0.1 2,-0.4 0.287 114.8 64.0-124.6 7.3 84.2 41.7 3.8 95 103 A L E < -Cd 92 148C 21 -3,-1.4 -3,-2.2 52,-0.2 2,-0.5 -0.978 49.3-174.4-142.8 125.7 86.9 39.8 5.6 96 104 A K E - d 0 149C 7 52,-3.1 54,-2.7 -2,-0.4 2,-0.3 -0.984 16.5-155.0-117.7 124.6 87.9 36.1 5.8 97 105 A N E - d 0 150C 1 -2,-0.5 2,-0.3 52,-0.2 54,-0.2 -0.746 11.3-176.9-100.5 145.7 90.7 35.2 8.3 98 106 A V E - d 0 151C 0 52,-2.1 54,-3.1 -2,-0.3 2,-0.4 -0.996 13.0-144.6-143.0 139.7 92.9 32.1 8.0 99 107 A I E + d 0 152C 5 89,-2.4 2,-0.3 -2,-0.3 54,-0.2 -0.844 24.7 156.2-111.5 142.3 95.7 30.8 10.3 100 108 A V E - d 0 153C 0 52,-2.3 54,-3.1 -2,-0.4 2,-0.4 -0.963 36.6-141.4-146.6 162.7 99.0 29.1 9.5 101 109 A C > - 0 0 0 18,-0.4 3,-0.9 -2,-0.3 52,-0.1 -0.867 21.9-179.1-120.7 97.6 102.4 28.5 11.0 102 110 A S T 3 S+ 0 0 0 -2,-0.4 102,-0.7 1,-0.2 -1,-0.1 0.811 79.6 50.8 -67.1 -27.2 104.6 28.9 8.0 103 111 A L T 3 S- 0 0 5 51,-0.1 -1,-0.2 100,-0.1 52,-0.0 0.587 135.3 -38.5 -86.1 -17.0 107.8 28.1 10.0 104 112 A X S < S- 0 0 10 -3,-0.9 -3,-0.2 2,-0.1 21,-0.1 -0.220 91.2 -59.2-169.5 -92.2 106.6 24.9 11.8 105 113 A S + 0 0 6 49,-0.2 -3,-0.1 -5,-0.1 16,-0.0 0.415 55.6 172.4-163.9 7.1 103.0 24.1 13.2 106 114 A X + 0 0 6 48,-0.2 2,-0.3 1,-0.1 48,-0.2 0.116 17.9 158.6 -47.1 126.4 102.2 26.8 15.9 107 115 A T - 0 0 7 -25,-0.1 2,-2.3 52,-0.1 54,-0.1 -0.981 56.2-104.3-152.4 142.8 98.4 26.2 16.8 108 116 A A >> - 0 0 1 52,-0.5 4,-2.2 -2,-0.3 3,-1.1 -0.511 47.2-175.2 -71.9 76.1 96.2 27.1 19.8 109 117 A W H 3> + 0 0 8 -2,-2.3 4,-2.0 -27,-0.8 -1,-0.2 0.811 69.4 53.2 -46.8 -49.6 96.4 23.5 21.0 110 118 A P H 34 S+ 0 0 1 0, 0.0 -66,-1.5 0, 0.0 -1,-0.2 0.823 122.3 27.8 -65.7 -26.8 94.0 23.6 23.9 111 119 A I H <4 S+ 0 0 0 -3,-1.1 -63,-1.7 -68,-0.2 -62,-0.2 0.595 132.7 32.4-110.0 -16.8 91.0 25.1 22.0 112 120 A L H < S- 0 0 6 -4,-2.2 -3,-0.2 -65,-0.1 76,-0.1 0.537 104.7-124.0-108.0 -14.8 91.7 23.9 18.4 113 121 A G < - 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0 0 29 4,-0.0 -1,-0.3 3,-0.0 4,-0.1 -0.229 50.2 -16.7 74.7-166.3 91.6 10.2 11.8 223 26 B P - 0 0 82 0, 0.0 3,-0.1 0, 0.0 -183,-0.0 -0.184 67.1-108.3 -67.5 161.8 92.9 9.9 15.3 224 27 B T S S+ 0 0 57 1,-0.2 2,-0.5 -184,-0.1 -184,-0.0 0.931 111.5 35.2 -53.2 -47.8 95.2 12.5 17.0 225 28 B F - 0 0 12 1,-0.1 -1,-0.2 -189,-0.0 3,-0.0 -0.941 64.0-168.3-115.5 128.9 98.0 10.0 16.7 226 29 B H S S+ 0 0 109 -2,-0.5 2,-0.3 -4,-0.1 -1,-0.1 0.427 77.5 35.4 -95.7 -3.2 98.3 7.7 13.7 227 30 B A S > S- 0 0 30 -216,-0.0 3,-1.2 1,-0.0 4,-0.3 -0.976 86.0-112.4-146.6 158.3 101.1 5.5 15.3 228 31 B E T 3 S+ 0 0 138 -2,-0.3 3,-0.2 1,-0.3 -3,-0.0 0.600 113.7 48.1 -70.6 -11.9 101.8 4.4 18.9 229 32 B W T > S+ 0 0 22 1,-0.1 3,-2.2 2,-0.1 -1,-0.3 0.542 81.9 95.8 -98.7 -11.4 105.0 6.5 19.2 230 33 B E T < S+ 0 0 31 -3,-1.2 4,-0.4 1,-0.3 -2,-0.1 0.692 78.3 57.5 -65.6 -20.5 103.6 9.8 17.9 231 34 B H T 3> S+ 0 0 9 -4,-0.3 4,-1.9 -3,-0.2 -1,-0.3 0.617 90.6 79.8 -76.9 -13.6 102.9 11.3 21.3 232 35 B L H <> S+ 0 0 1 -3,-2.2 4,-3.0 1,-0.2 5,-0.3 0.913 82.9 54.8 -66.6 -47.1 106.5 10.8 22.4 233 36 B P H > S+ 0 0 0 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.937 114.7 39.3 -56.1 -47.0 108.2 13.8 20.8 234 37 B Y H > S+ 0 0 5 -4,-0.4 4,-2.3 2,-0.2 -2,-0.2 0.922 117.1 50.1 -66.3 -42.3 105.9 16.4 22.4 235 38 B S H X S+ 0 0 0 -4,-1.9 4,-1.8 1,-0.2 -1,-0.2 0.906 113.9 44.3 -63.9 -40.7 105.7 14.6 25.7 236 39 B L H X S+ 0 0 0 -4,-3.0 4,-2.6 2,-0.2 -1,-0.2 0.791 108.0 58.7 -76.6 -27.4 109.5 14.3 25.9 237 40 B M H X S+ 0 0 11 -4,-1.9 4,-2.8 -5,-0.3 -2,-0.2 0.946 108.2 46.6 -57.5 -49.3 109.9 17.9 24.8 238 41 B F H X>S+ 0 0 21 -4,-2.3 4,-2.9 2,-0.2 5,-1.0 0.871 109.4 53.7 -64.5 -36.0 107.8 18.8 27.9 239 42 B A H X>S+ 0 0 2 -4,-1.8 5,-3.0 3,-0.2 4,-1.1 0.960 112.9 44.8 -58.2 -48.7 110.0 16.5 30.1 240 43 B G H <5S+ 0 0 0 -4,-2.6 6,-2.4 3,-0.2 7,-0.7 0.908 123.1 35.2 -60.8 -44.5 113.0 18.4 28.8 241 44 B V H <5S+ 0 0 42 -4,-2.8 -2,-0.2 4,-0.2 -3,-0.2 0.957 131.2 23.2 -76.3 -53.0 111.5 21.8 29.2 242 45 B A H <5S+ 0 0 68 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.1 0.797 131.4 31.6 -93.2 -34.2 109.4 21.6 32.3 243 46 B E T < - 0 0 16 116,-0.3 4,-1.2 -2,-0.3 3,-0.1 -0.596 33.5-111.4 -97.0 166.0 113.6 25.9 25.9 249 52 B V H > S+ 0 0 32 1,-0.2 4,-2.2 -2,-0.2 3,-0.4 0.889 120.8 60.0 -61.0 -37.4 110.8 25.4 23.4 250 53 B D H > S+ 0 0 21 1,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.885 100.4 54.3 -58.7 -40.0 112.7 27.9 21.2 251 54 B E H > S+ 0 0 15 113,-0.3 4,-2.4 2,-0.2 -1,-0.3 0.823 105.6 53.3 -62.7 -32.3 115.7 25.5 21.3 252 55 B V H X S+ 0 0 2 -4,-1.2 4,-1.9 -3,-0.4 -2,-0.2 0.929 108.8 48.7 -68.3 -44.5 113.4 22.7 20.0 253 56 B R H X S+ 0 0 17 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.953 114.4 46.5 -57.8 -46.2 112.3 24.9 17.1 254 57 B Y H X S+ 0 0 7 -4,-2.5 4,-1.5 1,-0.2 -2,-0.2 0.908 108.0 53.7 -67.1 -40.6 115.9 25.7 16.3 255 58 B V H < S+ 0 0 0 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.886 109.5 49.8 -65.2 -33.0 117.2 22.2 16.5 256 59 B V H >< S+ 0 0 4 -4,-1.9 3,-1.8 1,-0.2 -1,-0.2 0.919 107.8 53.6 -66.5 -41.8 114.5 21.1 14.0 257 60 B E H 3< S+ 0 0 13 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.793 103.0 61.6 -58.6 -26.4 115.6 24.0 11.7 258 61 B R T 3< S+ 0 0 16 -4,-1.5 46,-2.4 -5,-0.2 -1,-0.3 0.440 73.5 119.6 -86.4 -1.4 119.1 22.5 12.0 259 62 B M S < S- 0 0 6 -3,-1.8 44,-0.1 44,-0.3 5,-0.1 -0.367 85.9 -91.1 -55.0 142.0 118.2 19.2 10.4 260 63 B E > - 0 0 49 42,-0.3 4,-2.8 1,-0.1 5,-0.2 -0.340 45.0-116.3 -53.5 137.8 120.3 18.7 7.3 261 64 B P H > S+ 0 0 61 0, 0.0 4,-2.1 0, 0.0 -1,-0.1 0.871 112.5 44.0 -57.4 -44.8 118.1 20.3 4.5 262 65 B R H > S+ 0 0 129 2,-0.2 4,-1.3 1,-0.2 5,-0.1 0.911 114.0 53.0 -63.3 -38.4 117.4 17.2 2.5 263 66 B H H >> S+ 0 0 5 1,-0.2 4,-0.8 2,-0.2 3,-0.6 0.946 108.6 49.7 -59.6 -47.7 116.8 15.3 5.7 264 67 B Y H >< S+ 0 0 5 -4,-2.8 3,-1.0 1,-0.2 -1,-0.2 0.930 109.1 52.8 -54.3 -45.9 114.3 17.9 6.8 265 68 B M H 3< S+ 0 0 85 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.729 113.7 40.4 -71.2 -21.9 112.4 17.7 3.4 266 69 B M H << S+ 0 0 87 -4,-1.3 -1,-0.3 -3,-0.6 -2,-0.2 0.419 96.1 95.0-104.0 0.6 112.0 13.9 3.5 267 70 B T S << S- 0 0 5 -3,-1.0 5,-0.1 -4,-0.8 -4,-0.0 -0.818 74.4-122.6-101.0 125.5 111.1 13.5 7.2 268 71 B P > - 0 0 81 0, 0.0 4,-1.7 0, 0.0 3,-0.4 -0.245 34.4-102.6 -58.3 152.1 107.4 13.5 8.4 269 72 B Y H >> S+ 0 0 21 1,-0.2 4,-1.1 2,-0.2 3,-0.6 0.867 116.2 43.6 -42.3 -62.1 106.5 16.1 11.0 270 73 B Y H 3> S+ 0 0 13 1,-0.3 4,-1.6 2,-0.2 3,-0.3 0.851 110.7 57.1 -64.8 -31.1 106.5 14.0 14.2 271 74 B E H 3> S+ 0 0 17 -3,-0.4 4,-2.5 1,-0.2 -1,-0.3 0.848 98.2 60.7 -67.3 -34.4 109.7 12.3 13.3 272 75 B R H S+ 0 0 0 -4,-2.4 6,-1.9 1,-0.2 5,-1.9 0.873 112.8 43.6 -62.0 -36.5 119.5 15.6 24.7 282 85 B V H ><5S+ 0 0 41 -4,-2.0 3,-1.5 4,-0.2 -2,-0.2 0.936 113.7 49.6 -72.8 -46.1 122.9 14.7 23.2 283 86 B E H 3<5S+ 0 0 89 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.821 109.9 52.0 -61.9 -32.6 124.1 18.3 22.9 284 87 B K T 3<5S- 0 0 88 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.445 115.8-116.5 -84.0 -2.1 123.2 19.0 26.5 285 88 B G T < 5S+ 0 0 65 -3,-1.5 -3,-0.2 2,-0.3 -2,-0.1 0.592 86.0 114.2 79.5 13.0 125.2 15.9 27.6 286 89 B I S - 0 0 70 -2,-0.3 4,-1.7 1,-0.1 5,-0.1 -0.875 18.7-129.2-111.4 152.3 124.9 9.9 24.0 289 92 B Q H > S+ 0 0 71 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.876 109.2 61.7 -64.7 -33.5 124.3 9.1 20.4 290 93 B D H > S+ 0 0 116 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.909 105.0 44.6 -56.0 -48.0 125.8 5.7 21.1 291 94 B E H > S+ 0 0 41 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.883 112.1 52.6 -70.3 -34.7 123.1 4.7 23.5 292 95 B L H X S+ 0 0 0 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.930 113.7 43.1 -61.9 -45.3 120.4 6.0 21.3 293 96 B E H X>S+ 0 0 64 -4,-2.7 4,-1.7 2,-0.2 5,-1.5 0.878 112.9 52.7 -70.9 -35.9 121.7 3.9 18.4 294 97 B S H <5S+ 0 0 81 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.937 114.7 41.4 -62.3 -46.1 122.2 0.9 20.6 295 98 B L H <5S+ 0 0 65 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.870 115.9 50.1 -70.2 -37.2 118.7 1.1 21.9 296 99 B A H <5S- 0 0 4 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.742 103.9-131.8 -71.7 -23.7 117.3 1.9 18.4 297 100 B G T <5S+ 0 0 70 -4,-1.7 -3,-0.2 1,-0.2 -4,-0.1 0.754 75.9 21.7 75.4 26.1 119.2 -1.1 16.9 298 101 B G S - 0 0 90 -2,-0.2 3,-2.1 1,-0.1 29,-0.3 -0.813 34.0 -83.7-115.6 155.1 101.5 51.9 18.9 322 125 B V T 3 S+ 0 0 99 -2,-0.3 29,-0.2 1,-0.2 3,-0.1 -0.330 117.0 24.1 -54.1 126.8 98.4 50.5 17.0 323 126 B G T 3 S+ 0 0 49 27,-2.9 -1,-0.2 1,-0.4 2,-0.1 0.159 90.8 128.5 101.5 -16.8 98.2 52.2 13.6 324 127 B Q < - 0 0 86 -3,-2.1 26,-2.5 26,-0.1 2,-0.4 -0.432 59.6-122.2 -72.6 143.5 101.9 53.1 13.4 325 128 B R E +F 349 0C 163 24,-0.2 83,-1.9 -2,-0.1 2,-0.3 -0.754 35.3 179.4 -88.8 131.5 103.9 52.1 10.3 326 129 B V E -FG 348 407C 1 22,-2.8 22,-2.6 -2,-0.4 2,-0.4 -0.915 20.5-143.6-129.6 154.8 106.9 49.9 10.8 327 130 B R E -FG 347 406C 99 79,-2.8 79,-1.9 -2,-0.3 2,-0.5 -0.948 26.3-117.7-114.9 141.5 109.6 48.3 8.7 328 131 B V E - G 0 405C 1 18,-2.4 17,-1.1 -2,-0.4 77,-0.2 -0.666 45.4-100.7 -76.1 124.5 111.0 44.9 9.4 329 132 B R - 0 0 39 75,-2.7 2,-1.9 -2,-0.5 16,-0.3 -0.179 25.9-125.8 -50.1 132.5 114.8 45.3 10.1 330 133 B D + 0 0 114 14,-0.2 2,-0.3 15,-0.1 -1,-0.2 -0.571 63.2 137.0 -81.5 73.9 116.8 44.4 7.0 331 134 B E - 0 0 67 -2,-1.9 2,-0.5 73,-0.1 14,-0.0 -0.910 48.6-143.2-128.1 150.4 119.0 42.0 9.0 332 135 B Y - 0 0 151 -2,-0.3 -2,-0.0 12,-0.0 0, 0.0 -0.974 16.3-174.0-119.1 121.5 120.4 38.5 8.4 333 136 B V - 0 0 15 -2,-0.5 -134,-0.1 2,-0.1 4,-0.1 -0.966 13.4-165.4-120.2 114.8 120.6 36.2 11.4 334 137 B P S S+ 0 0 88 0, 0.0 -27,-0.2 0, 0.0 -1,-0.1 0.762 76.2 54.2 -74.3 -24.2 122.3 32.8 10.9 335 138 B G S S- 0 0 0 1,-0.2 -2,-0.1 -28,-0.1 27,-0.1 -0.034 112.3 -35.1 -89.4-159.7 120.9 31.3 14.1 336 139 B H + 0 0 0 26,-0.2 2,-0.3 25,-0.2 -1,-0.2 -0.299 63.3 163.1 -65.4 137.5 117.3 31.1 15.3 337 140 B I - 0 0 15 -139,-0.1 23,-0.0 -3,-0.1 -4,-0.0 -0.964 36.9-143.4-153.3 141.8 115.0 33.9 14.4 338 141 B R S S+ 0 0 4 -2,-0.3 63,-0.2 2,-0.1 66,-0.1 -0.224 71.7 102.4-100.4 42.7 111.2 34.2 14.3 339 142 B M - 0 0 7 61,-0.1 2,-0.2 -236,-0.0 5,-0.1 -0.960 66.6-141.2-124.2 111.4 111.0 36.4 11.2 340 143 B P > - 0 0 0 0, 0.0 3,-2.0 0, 0.0 4,-0.4 -0.510 24.0-120.8 -68.7 141.1 110.0 34.6 8.0 341 144 B A G > S+ 0 0 33 1,-0.3 3,-1.5 2,-0.2 -142,-0.0 0.757 103.4 76.0 -59.7 -27.7 112.1 36.0 5.1 342 145 B Y G 3 S+ 0 0 22 1,-0.3 -1,-0.3 -137,-0.2 -136,-0.0 0.713 101.0 42.6 -58.1 -21.0 109.1 37.1 3.1 343 146 B C G X S+ 0 0 0 -3,-2.0 3,-2.2 3,-0.1 -15,-0.4 0.521 80.5 124.9-103.7 -4.5 108.7 40.1 5.5 344 147 B R T < S+ 0 0 36 -3,-1.5 -14,-0.2 -4,-0.4 -15,-0.1 -0.313 88.7 1.4 -57.4 129.2 112.4 41.1 5.8 345 148 B G T 3 S+ 0 0 16 -17,-1.1 -1,-0.3 -16,-0.3 2,-0.2 0.461 105.0 129.6 74.9 1.7 112.7 44.8 4.9 346 149 B R < - 0 0 105 -3,-2.2 -18,-2.4 -17,-0.1 2,-0.4 -0.503 53.0-126.5 -94.3 159.6 109.0 45.2 4.3 347 150 B V E +F 327 0C 18 -20,-0.2 35,-0.4 -2,-0.2 2,-0.3 -0.858 35.8 148.9-111.9 136.4 106.6 47.8 5.6 348 151 B G E -F 326 0C 6 -22,-2.6 -22,-2.8 -2,-0.4 2,-0.4 -0.870 39.7 -98.5-149.4-175.6 103.3 47.2 7.5 349 152 B T E -FH 325 380C 38 31,-2.2 31,-3.0 -2,-0.3 2,-0.4 -0.913 33.0-114.8-117.9 137.0 101.0 48.7 10.1 350 153 B I E + H 0 379C 1 -26,-2.5 -27,-2.9 -2,-0.4 29,-0.2 -0.561 33.9 169.1 -69.2 121.6 100.7 47.7 13.8 351 154 B S E + 0 0 52 27,-3.2 2,-0.3 -2,-0.4 -1,-0.2 0.571 68.5 11.5-104.6 -15.6 97.3 46.1 14.6 352 155 B H E - H 0 378C 46 26,-0.9 26,-1.9 -31,-0.1 2,-0.5 -0.956 51.8-157.4-161.6 137.3 98.2 44.8 18.1 353 156 B R E - H 0 377C 88 -2,-0.3 24,-0.2 24,-0.2 -31,-0.1 -0.997 38.8-116.6-113.1 126.1 100.9 45.2 20.8 354 157 B T - 0 0 6 22,-2.7 -2,-0.0 -2,-0.5 -269,-0.0 -0.236 7.0-143.3 -63.3 148.4 101.0 42.2 23.1 355 158 B T S S+ 0 0 109 20,-0.1 2,-0.3 2,-0.0 -1,-0.1 0.404 86.0 59.1 -90.4 0.5 100.2 42.9 26.8 356 159 B E S S- 0 0 112 20,-0.1 20,-0.4 18,-0.0 2,-0.3 -0.814 74.4-142.1-121.7 165.2 102.8 40.2 27.7 357 160 B K - 0 0 113 -2,-0.3 -2,-0.0 18,-0.2 16,-0.0 -0.947 14.4-170.5-129.8 149.9 106.5 40.0 27.0 358 161 B W B -J 374 0D 41 16,-2.8 16,-2.2 -2,-0.3 -201,-0.0 -0.936 35.1 -80.8-137.6 160.0 108.7 37.0 26.2 359 162 B P - 0 0 49 0, 0.0 13,-0.2 0, 0.0 14,-0.2 -0.295 55.5 -99.2 -59.6 141.8 112.4 36.1 25.8 360 163 B F >> - 0 0 0 11,-2.4 4,-2.4 1,-0.1 3,-1.7 -0.467 29.1-141.3 -63.2 121.0 113.9 37.1 22.4 361 164 B P H 3> S+ 0 0 1 0, 0.0 4,-2.4 0, 0.0 -25,-0.2 0.829 96.6 64.2 -58.3 -32.8 114.0 33.9 20.3 362 165 B D H 34 S+ 0 0 1 1,-0.2 -51,-1.7 2,-0.2 -26,-0.2 0.659 115.4 32.0 -67.4 -17.6 117.4 34.6 18.8 363 166 B A H X4>S+ 0 0 0 -3,-1.7 5,-2.2 -53,-0.2 3,-1.8 0.808 121.7 43.2-100.0 -55.1 118.9 34.3 22.2 364 167 B I H ><5S+ 0 0 36 -4,-2.4 3,-1.7 1,-0.3 -116,-0.3 0.808 104.0 67.3 -69.1 -25.4 116.7 31.8 24.1 365 168 B G T 3<5S+ 0 0 1 -4,-2.4 -1,-0.3 -5,-0.3 -3,-0.1 0.600 106.9 41.9 -66.4 -11.5 116.7 29.5 21.0 366 169 B H T < 5S- 0 0 34 -3,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.216 120.0-110.2-113.5 8.3 120.4 29.1 21.6 367 170 B G T < 5 + 0 0 41 -3,-1.7 -3,-0.2 1,-0.2 -2,-0.1 0.740 62.7 162.2 68.9 25.1 120.1 28.7 25.4 368 171 B R < - 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