==== 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 10-JUL-08 2ZPE . 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) . 16518.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 258 63.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 19 4.7 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 . 23 5.7 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 26.8 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 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 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 0 215 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 130.4 123.7 12.0 -4.5 2 10 A N + 0 0 103 1,-0.2 2,-0.0 0, 0.0 0, 0.0 0.603 360.0 156.2 63.3 14.5 120.9 13.7 -2.5 3 11 A A - 0 0 81 1,-0.1 -1,-0.2 260,-0.0 260,-0.1 -0.303 48.1-100.5 -72.3 153.2 120.1 10.3 -0.9 4 12 A A - 0 0 59 1,-0.1 -1,-0.1 258,-0.1 2,-0.1 -0.411 41.2-107.4 -65.1 144.7 118.3 9.8 2.4 5 13 A P - 0 0 48 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.452 41.0 -96.0 -70.1 149.3 120.5 8.9 5.4 6 14 A A + 0 0 75 -2,-0.1 2,-0.3 294,-0.0 292,-0.0 -0.483 55.0 177.8 -60.9 132.6 120.3 5.4 6.7 7 15 A Q - 0 0 49 -2,-0.2 293,-0.2 293,-0.1 3,-0.1 -0.995 31.4-121.3-143.8 139.2 117.8 5.3 9.6 8 16 A A - 0 0 8 291,-2.8 5,-0.1 -2,-0.3 290,-0.1 -0.288 62.3 -69.6 -60.9 158.3 116.3 2.7 11.9 9 17 A P > - 0 0 81 0, 0.0 4,-2.0 0, 0.0 3,-0.3 -0.250 46.8-121.3 -52.7 141.5 112.5 2.5 11.8 10 18 A V H > S+ 0 0 34 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.862 111.8 55.8 -57.0 -39.3 111.0 5.6 13.3 11 19 A S H > S+ 0 0 47 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.930 107.8 50.0 -56.6 -45.5 109.1 3.7 15.9 12 20 A D H > S+ 0 0 73 -3,-0.3 4,-1.8 1,-0.2 -1,-0.2 0.890 112.9 46.5 -62.2 -39.7 112.4 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 0.920 112.5 49.0 -67.7 -44.8 114.0 5.6 17.3 14 22 A A H X S+ 0 0 0 -4,-3.1 4,-2.1 1,-0.2 -2,-0.2 0.939 114.8 44.0 -61.9 -45.6 111.1 7.2 19.1 15 23 A W H X S+ 0 0 73 -4,-2.7 4,-3.1 -5,-0.2 -1,-0.2 0.845 109.5 57.9 -70.8 -29.5 110.9 4.4 21.7 16 24 A A H X S+ 0 0 0 -4,-1.8 4,-2.8 -5,-0.3 5,-0.2 0.924 106.2 49.1 -61.9 -44.9 114.7 4.4 22.0 17 25 A L H X S+ 0 0 2 -4,-2.2 4,-1.9 2,-0.2 5,-0.2 0.939 113.3 47.3 -60.0 -46.2 114.5 8.1 23.0 18 26 A F H X S+ 0 0 28 -4,-2.1 4,-3.2 1,-0.2 5,-0.2 0.946 114.4 45.7 -56.9 -52.2 111.8 7.2 25.5 19 27 A R H X S+ 0 0 108 -4,-3.1 4,-2.7 1,-0.2 -2,-0.2 0.867 109.3 54.8 -64.5 -38.2 113.8 4.3 27.0 20 28 A A H < S+ 0 0 4 -4,-2.8 4,-0.2 -5,-0.2 -1,-0.2 0.913 117.2 36.7 -61.3 -42.4 117.1 6.2 27.2 21 29 A L H ><>S+ 0 0 1 -4,-1.9 5,-2.0 -5,-0.2 3,-1.1 0.914 117.8 49.4 -76.7 -45.3 115.5 9.0 29.2 22 30 A D H ><5S+ 0 0 71 -4,-3.2 3,-1.9 1,-0.2 5,-0.2 0.887 105.2 58.6 -60.3 -40.5 113.2 6.7 31.3 23 31 A G T 3<5S+ 0 0 68 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.597 104.6 52.7 -66.6 -12.1 116.0 4.4 32.1 24 32 A K T < 5S- 0 0 104 -3,-1.1 -1,-0.3 -4,-0.2 -2,-0.2 0.264 118.1-110.6-105.4 7.0 117.8 7.4 33.7 25 33 A G T < 5S+ 0 0 68 -3,-1.9 -3,-0.2 2,-0.1 -2,-0.1 0.638 84.3 122.6 76.1 16.1 114.9 8.3 35.9 26 34 A L < + 0 0 51 -5,-2.0 -4,-0.2 1,-0.1 -3,-0.1 0.540 58.0 66.7 -90.3 -9.2 114.2 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 -0.951 84.3-130.8-116.4 110.0 110.6 10.7 33.0 28 36 A P > - 0 0 52 0, 0.0 3,-2.0 0, 0.0 4,-0.3 -0.132 41.6 -79.3 -54.6 154.2 108.1 10.6 35.9 29 37 A D T 3 S+ 0 0 168 1,-0.3 -7,-0.0 2,-0.1 0, 0.0 -0.328 116.3 3.5 -56.3 131.3 105.8 7.6 36.2 30 38 A G T 3> S+ 0 0 45 -3,-0.1 4,-2.1 1,-0.1 -1,-0.3 0.585 93.2 131.4 71.5 12.4 102.9 7.9 33.9 31 39 A Y H <> S+ 0 0 31 -3,-2.0 4,-2.1 2,-0.2 5,-0.2 0.962 72.4 35.8 -65.7 -56.8 104.2 11.1 32.3 32 40 A V H > S+ 0 0 2 -4,-0.3 4,-2.5 1,-0.2 -1,-0.2 0.860 117.5 54.9 -68.2 -32.2 104.0 10.4 28.6 33 41 A E H > S+ 0 0 112 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.888 107.3 50.6 -64.2 -40.4 100.8 8.5 29.1 34 42 A G H X S+ 0 0 34 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.896 111.2 47.4 -65.1 -43.7 99.3 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 0.921 108.3 55.4 -63.9 -42.0 100.3 13.9 28.0 36 44 A K H X S+ 0 0 36 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.918 108.9 48.2 -55.8 -44.3 98.9 11.4 25.5 37 45 A K H X>S+ 0 0 115 -4,-2.0 4,-2.9 2,-0.2 5,-0.7 0.905 111.8 49.1 -63.6 -44.0 95.5 11.6 27.4 38 46 A T H X>S+ 0 0 37 -4,-2.1 5,-2.4 1,-0.2 4,-1.5 0.944 113.1 47.2 -57.6 -49.4 95.6 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 0.851 121.2 36.7 -62.4 -37.4 96.4 15.6 23.7 40 48 A E H <5S+ 0 0 75 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.845 131.5 20.6 -84.8 -35.8 93.7 13.1 22.8 41 49 A E H <5S+ 0 0 115 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.738 127.0 33.6-112.5 -31.2 90.9 13.9 25.2 42 50 A D T <> - 0 0 27 66,-1.5 3,-1.6 -2,-0.5 4,-0.8 -0.984 62.6-130.6-160.0 139.4 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 0.618 103.2 78.2 -67.5 -9.6 88.2 21.9 18.8 46 54 A R H 3> S+ 0 0 105 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.828 91.4 53.6 -62.9 -30.6 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 0.949 108.1 46.5 -69.1 -49.5 86.3 23.8 23.1 48 56 A G H X S+ 0 0 0 63,-1.7 4,-2.2 -4,-0.8 -2,-0.2 0.895 111.0 54.2 -57.5 -40.0 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 0.881 106.2 52.0 -60.9 -39.8 83.3 25.6 19.1 50 58 A E H X S+ 0 0 54 -4,-1.8 4,-1.9 1,-0.2 -1,-0.2 0.890 109.6 49.7 -62.8 -40.3 81.8 26.2 22.5 51 59 A L H X S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.898 111.7 47.9 -66.5 -41.4 83.5 29.6 22.6 52 60 A V H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.932 110.8 50.2 -65.1 -47.7 82.2 30.5 19.1 53 61 A A H X S+ 0 0 0 -4,-2.6 4,-1.1 2,-0.2 -1,-0.2 0.863 112.0 48.8 -59.2 -39.4 78.6 29.5 20.0 54 62 A R H >X S+ 0 0 57 -4,-1.9 4,-1.3 2,-0.2 3,-0.7 0.948 111.5 48.5 -64.7 -49.6 78.8 31.6 23.2 55 63 A A H 3< S+ 0 0 2 -4,-2.5 3,-0.4 1,-0.2 7,-0.4 0.891 109.5 54.1 -57.1 -40.0 80.1 34.6 21.2 56 64 A W H 3< S+ 0 0 29 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.778 118.8 32.9 -64.4 -29.2 77.3 34.2 18.6 57 65 A T H << S+ 0 0 56 -4,-1.1 -1,-0.2 -3,-0.7 -2,-0.2 0.451 116.7 55.0-109.2 -2.6 74.6 34.2 21.3 58 66 A D X - 0 0 41 -4,-1.3 4,-2.4 -3,-0.4 3,-0.2 -0.870 58.8-167.9-139.2 94.9 76.1 36.6 23.9 59 67 A P H > S+ 0 0 105 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.823 89.9 54.2 -55.1 -35.3 77.1 40.1 22.6 60 68 A E H > S+ 0 0 166 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.919 110.6 44.6 -67.0 -44.5 79.0 40.9 25.8 61 69 A F H > S+ 0 0 5 -3,-0.2 4,-3.4 2,-0.2 5,-0.2 0.883 109.6 57.1 -65.7 -38.5 81.1 37.7 25.6 62 70 A R H X S+ 0 0 76 -4,-2.4 4,-2.1 -7,-0.4 -2,-0.2 0.931 107.5 48.1 -56.1 -46.5 81.7 38.3 21.9 63 71 A Q H X S+ 0 0 116 -4,-2.0 4,-1.1 2,-0.2 -1,-0.2 0.896 113.3 47.4 -62.5 -42.1 83.2 41.7 22.8 64 72 A L H >X S+ 0 0 47 -4,-1.9 4,-3.4 2,-0.2 3,-0.6 0.936 110.4 52.0 -63.2 -47.8 85.4 40.2 25.5 65 73 A L H 3< S+ 0 0 0 -4,-3.4 23,-0.7 1,-0.2 -2,-0.2 0.873 113.8 44.0 -56.2 -40.0 86.5 37.4 23.2 66 74 A L H 3< S+ 0 0 41 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.645 122.6 35.9 -83.4 -15.4 87.6 39.9 20.5 67 75 A T H << S+ 0 0 93 -4,-1.1 -2,-0.2 -3,-0.6 -3,-0.2 0.752 136.3 13.6-107.1 -34.5 89.3 42.4 22.9 68 76 A D X + 0 0 76 -4,-3.4 4,-2.0 -5,-0.2 3,-0.2 -0.620 65.9 172.2-142.8 78.4 90.9 40.1 25.4 69 77 A G H > S+ 0 0 3 17,-0.4 4,-2.7 1,-0.2 5,-0.2 0.861 78.6 57.5 -57.5 -39.8 90.8 36.5 24.1 70 78 A T H > S+ 0 0 29 16,-0.9 4,-2.5 1,-0.2 -1,-0.2 0.933 108.2 45.7 -57.5 -48.6 92.9 35.2 26.9 71 79 A A H > S+ 0 0 32 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.897 113.0 50.6 -62.7 -41.6 90.5 36.4 29.6 72 80 A A H X S+ 0 0 0 -4,-2.0 4,-0.6 -8,-0.3 3,-0.4 0.930 113.1 44.9 -62.1 -47.2 87.5 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 0.879 107.6 59.5 -64.4 -39.0 89.1 31.6 27.2 74 82 A A H ><5S+ 0 0 46 -4,-2.5 3,-0.9 1,-0.2 -1,-0.2 0.807 93.5 66.2 -60.1 -31.4 90.2 31.6 30.9 75 83 A Q H 3<5S+ 0 0 122 -4,-1.3 -1,-0.2 -3,-0.4 -2,-0.2 0.831 107.1 41.1 -59.2 -32.6 86.5 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 0.493 115.3-118.8 -89.4 -7.7 86.0 28.4 30.5 77 85 A G T <<5S+ 0 0 55 -3,-0.9 -3,-0.2 -4,-0.5 -2,-0.1 0.772 74.1 130.6 73.4 28.9 89.3 27.2 32.0 78 86 A Y < + 0 0 41 -5,-2.0 -4,-0.2 -31,-0.1 2,-0.1 0.245 25.5 118.1-103.5 12.3 90.7 26.4 28.5 79 87 A L + 0 0 66 -6,-0.2 5,-0.2 -5,-0.1 3,-0.0 -0.461 39.8 131.7 -67.7 151.5 94.1 28.2 28.7 80 88 A G B > -A 83 0A 16 3,-1.3 3,-1.7 -2,-0.1 31,-0.1 -0.979 55.1 -25.9-176.3-173.1 96.9 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 -0.286 130.4 10.0 -54.4 134.9 100.2 24.8 26.6 82 90 A Q T 3 S+ 0 0 25 27,-0.1 27,-0.8 26,-0.1 25,-0.1 0.788 125.9 70.7 60.1 30.8 100.5 26.5 23.2 83 91 A G B < +A 80 0A 2 -3,-1.7 -3,-1.3 25,-0.2 3,-0.2 -0.077 54.1 112.3-167.6 48.6 97.4 28.5 24.2 84 92 A E S S+ 0 0 143 1,-0.3 2,-0.5 73,-0.3 74,-0.1 0.700 81.0 40.5-100.9 -27.5 98.3 31.0 26.9 85 93 A Y E S-b 158 0B 18 72,-0.5 74,-2.5 2,-0.0 2,-0.4 -0.950 81.1-170.5-125.2 106.1 97.9 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 -0.837 15.6-178.3-108.3 133.7 94.8 34.0 22.8 87 95 A V E -b 160 0B 24 72,-2.0 74,-1.6 -2,-0.4 2,-0.4 -0.996 12.7-156.3-125.5 124.6 93.6 36.4 20.0 88 96 A A E -b 161 0B 6 -23,-0.7 2,-0.4 -2,-0.4 74,-0.2 -0.833 10.9-148.5 -95.2 138.6 90.3 35.7 18.3 89 97 A V E -b 162 0B 6 72,-2.5 74,-2.9 -2,-0.4 2,-0.5 -0.940 11.9-130.8-117.5 131.3 90.0 37.2 14.8 90 98 A E E -b 163 0B 70 -2,-0.4 2,-0.2 72,-0.2 72,-0.1 -0.677 8.4-149.5 -91.9 116.8 86.6 38.3 13.5 91 99 A D - 0 0 8 72,-2.5 5,-0.2 -2,-0.5 -1,-0.0 -0.550 24.2-178.9 -70.9 148.7 85.2 37.3 10.1 92 100 A T B > -C 95 0C 37 3,-2.2 3,-1.5 -2,-0.2 73,-0.1 -0.869 47.7 -86.3-140.7 170.8 82.9 39.9 8.5 93 101 A P T 3 S+ 0 0 89 0, 0.0 3,-0.1 0, 0.0 53,-0.1 0.678 132.5 32.3 -56.0 -15.1 80.9 40.3 5.3 94 102 A T T 3 S+ 0 0 89 1,-0.1 54,-2.7 53,-0.1 2,-0.4 0.290 115.2 63.2-121.5 7.6 84.1 41.7 3.7 95 103 A L E < -Cd 92 148C 21 -3,-1.5 -3,-2.2 52,-0.2 2,-0.5 -0.981 49.0-174.2-143.6 127.4 86.8 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 -0.986 16.4-154.9-119.5 124.5 87.8 36.1 5.8 97 105 A N E - d 0 150C 2 -2,-0.5 2,-0.3 52,-0.2 54,-0.2 -0.752 11.1-176.5 -99.7 145.7 90.6 35.2 8.3 98 106 A V E - d 0 151C 0 52,-2.2 54,-3.0 -2,-0.3 2,-0.3 -0.994 12.7-144.8-142.3 139.8 92.9 32.1 7.9 99 107 A I E + d 0 152C 5 89,-2.3 2,-0.3 -2,-0.3 54,-0.2 -0.851 24.8 155.7-111.8 142.9 95.6 30.8 10.3 100 108 A V E - d 0 153C 1 52,-2.3 54,-3.1 -2,-0.3 2,-0.4 -0.962 37.1-140.6-147.3 163.9 98.9 29.1 9.5 101 109 A C > - 0 0 0 18,-0.4 3,-0.9 -2,-0.3 52,-0.1 -0.868 21.8-179.0-121.5 97.7 102.3 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 0.818 79.9 50.8 -67.2 -27.0 104.5 28.9 8.0 103 111 A L T 3 S- 0 0 4 51,-0.1 -1,-0.2 100,-0.1 52,-0.0 0.599 135.3 -38.6 -86.6 -15.8 107.7 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 -0.213 91.1 -59.1-171.0 -92.8 106.5 24.9 11.8 105 113 A S + 0 0 6 49,-0.2 -3,-0.1 -5,-0.1 16,-0.0 0.402 55.7 172.4-162.4 6.3 102.9 24.1 13.2 106 114 A X + 0 0 6 48,-0.2 2,-0.3 1,-0.0 48,-0.2 0.105 17.9 158.9 -46.5 127.0 102.1 26.8 15.8 107 115 A T - 0 0 8 -25,-0.1 2,-2.3 52,-0.1 54,-0.1 -0.982 56.1-104.2-152.3 143.0 98.4 26.2 16.8 108 116 A A >> - 0 0 1 52,-0.5 4,-2.3 -2,-0.3 3,-1.1 -0.512 47.2-175.2 -72.0 75.4 96.1 27.1 19.7 109 117 A W H 3> + 0 0 9 -2,-2.3 4,-2.0 -27,-0.8 -1,-0.2 0.809 69.6 52.6 -45.5 -50.5 96.3 23.5 21.0 110 118 A P H 34 S+ 0 0 0 0, 0.0 -66,-1.5 0, 0.0 -1,-0.2 0.824 122.5 28.1 -65.8 -26.8 93.9 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 0.596 132.8 31.8-110.1 -16.6 91.0 25.1 22.0 112 120 A L H < S- 0 0 6 -4,-2.3 -3,-0.2 -65,-0.1 76,-0.1 0.528 104.7-123.9-109.5 -13.9 91.6 23.9 18.4 113 121 A G < - 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0 0 40 -3,-2.1 2,-0.3 1,-0.1 -1,-0.2 -0.407 61.9 -90.5 -65.6 147.7 87.2 15.5 5.9 220 23 B D - 0 0 152 1,-0.2 -1,-0.1 -3,-0.1 -3,-0.0 -0.459 37.7-169.3 -61.7 121.1 87.9 12.9 8.6 221 24 B I - 0 0 65 1,-0.3 -104,-0.2 -2,-0.3 -1,-0.2 0.354 32.8-134.8 -95.0 4.1 91.5 13.5 9.8 222 25 B G - 0 0 29 4,-0.0 -1,-0.3 3,-0.0 4,-0.1 -0.205 51.1 -16.5 71.7-165.2 91.5 10.2 11.8 223 26 B P - 0 0 80 0, 0.0 3,-0.1 0, 0.0 -183,-0.0 -0.175 67.1-108.2 -68.3 162.9 92.8 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 0.932 111.5 35.7 -53.2 -48.1 95.1 12.5 17.0 225 28 B F - 0 0 11 1,-0.1 -1,-0.2 -189,-0.0 3,-0.0 -0.938 64.0-168.3-115.0 128.9 97.9 10.0 16.7 226 29 B H S S+ 0 0 108 -2,-0.5 2,-0.3 -4,-0.1 -1,-0.1 0.454 77.4 34.9 -95.6 -4.1 98.3 7.7 13.7 227 30 B A S > S- 0 0 30 -216,-0.0 3,-1.3 1,-0.0 4,-0.3 -0.976 85.9-112.4-146.0 157.7 101.0 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 0.613 113.9 48.5 -69.8 -11.9 101.7 4.4 18.8 229 32 B W T > S+ 0 0 22 1,-0.1 3,-2.2 2,-0.1 -1,-0.3 0.546 82.0 95.5 -98.1 -11.6 104.9 6.5 19.2 230 33 B E T < S+ 0 0 32 -3,-1.3 4,-0.4 1,-0.3 -2,-0.1 0.689 78.1 57.5 -65.9 -20.9 103.6 9.8 17.9 231 34 B H T 3> S+ 0 0 10 -4,-0.3 4,-1.9 -3,-0.2 -1,-0.3 0.622 90.5 80.1 -77.1 -13.1 102.8 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 0.907 82.7 54.7 -66.9 -46.7 106.4 10.8 22.4 233 36 B P H > S+ 0 0 0 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.938 114.7 39.4 -56.4 -46.7 108.1 13.8 20.8 234 37 B Y H > S+ 0 0 4 -4,-0.4 4,-2.4 2,-0.2 -2,-0.2 0.925 117.3 49.9 -66.0 -42.7 105.8 16.4 22.4 235 38 B S H X S+ 0 0 0 -4,-1.9 4,-1.9 1,-0.2 -1,-0.2 0.907 114.0 44.4 -64.0 -41.0 105.6 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 0.799 108.3 58.2 -75.9 -27.3 109.4 14.3 25.9 237 40 B M H X S+ 0 0 11 -4,-2.0 4,-2.9 -5,-0.3 -2,-0.2 0.947 108.4 46.7 -58.7 -48.3 109.8 17.9 24.8 238 41 B F H X>S+ 0 0 20 -4,-2.4 4,-2.9 2,-0.2 5,-1.0 0.884 109.5 53.3 -64.9 -37.4 107.7 18.8 27.9 239 42 B A H X>S+ 0 0 2 -4,-1.9 5,-2.9 3,-0.2 4,-1.2 0.959 113.1 45.0 -57.0 -48.6 109.8 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 0.907 123.4 34.5 -60.9 -44.0 112.9 18.4 28.8 241 44 B V H <5S+ 0 0 42 -4,-2.9 -2,-0.2 4,-0.2 -3,-0.2 0.961 131.1 24.4 -77.2 -54.1 111.4 21.8 29.2 242 45 B A H <5S+ 0 0 69 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.1 0.783 131.6 30.5 -91.0 -33.3 109.2 21.6 32.3 243 46 B E T < - 0 0 19 116,-0.3 4,-1.1 -2,-0.3 3,-0.1 -0.596 33.6-111.3 -97.1 165.1 113.5 25.9 25.9 249 52 B V H >> S+ 0 0 33 1,-0.2 4,-2.2 -2,-0.2 3,-0.5 0.893 120.8 59.7 -59.9 -38.1 110.7 25.4 23.4 250 53 B D H 3> S+ 0 0 21 1,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.888 100.1 54.9 -58.9 -40.2 112.6 27.9 21.2 251 54 B E H 3> S+ 0 0 15 113,-0.3 4,-2.5 2,-0.2 -1,-0.3 0.823 105.3 53.6 -61.2 -33.0 115.6 25.5 21.3 252 55 B V H < S+ 0 0 5 -4,-1.9 3,-1.8 1,-0.2 -1,-0.2 0.921 107.7 53.8 -67.3 -41.2 114.4 21.1 14.0 257 60 B E H 3< S+ 0 0 12 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.788 102.9 61.3 -57.8 -27.0 115.6 24.0 11.7 258 61 B R T 3< S+ 0 0 15 -4,-1.5 46,-2.4 -5,-0.1 -1,-0.3 0.443 73.3 119.6 -87.1 -1.0 119.1 22.5 12.0 259 62 B M S < S- 0 0 5 -3,-1.8 44,-0.1 44,-0.3 5,-0.1 -0.365 86.0 -91.1 -55.0 141.8 118.1 19.2 10.4 260 63 B E > - 0 0 48 42,-0.3 4,-2.9 1,-0.1 5,-0.2 -0.329 45.3-116.0 -53.0 138.0 120.2 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 0.871 112.4 44.0 -57.3 -44.5 118.0 20.3 4.5 262 65 B R H > S+ 0 0 126 2,-0.2 4,-1.3 1,-0.2 5,-0.1 0.910 113.9 53.2 -64.7 -37.9 117.3 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 0.946 108.5 49.6 -59.4 -47.8 116.7 15.3 5.7 264 67 B Y H >< S+ 0 0 4 -4,-2.9 3,-1.0 1,-0.2 -1,-0.2 0.931 108.8 53.6 -53.7 -46.9 114.2 17.9 6.8 265 68 B M H 3< S+ 0 0 77 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.726 113.7 39.8 -68.8 -24.0 112.4 17.7 3.4 266 69 B M H << S+ 0 0 92 -4,-1.3 -1,-0.3 -3,-0.6 -2,-0.2 0.418 96.0 95.5-105.1 3.7 111.8 14.0 3.5 267 70 B T S << S- 0 0 5 -3,-1.0 5,-0.1 -4,-0.8 -4,-0.0 -0.814 74.1-122.3-101.3 125.5 111.0 13.6 7.2 268 71 B P > - 0 0 81 0, 0.0 4,-1.7 0, 0.0 3,-0.4 -0.253 34.2-103.0 -58.5 152.2 107.3 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 0.870 116.3 43.5 -42.9 -61.8 106.4 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 56.9 -65.4 -31.1 106.4 14.1 14.2 271 74 B E H 3> S+ 0 0 17 -3,-0.4 4,-2.5 1,-0.2 -1,-0.3 0.847 98.2 61.0 -66.5 -34.7 109.6 12.3 13.3 272 75 B R H S+ 0 0 0 -4,-2.4 6,-2.0 1,-0.2 5,-1.8 0.868 112.9 43.6 -62.1 -35.7 119.4 15.6 24.7 282 85 B V H ><5S+ 0 0 41 -4,-1.9 3,-1.4 4,-0.2 -2,-0.2 0.937 113.7 49.8 -73.9 -45.6 122.8 14.7 23.2 283 86 B E H 3<5S+ 0 0 88 -4,-3.1 -2,-0.2 1,-0.3 -1,-0.2 0.828 110.1 51.0 -60.5 -34.1 124.0 18.3 22.9 284 87 B K T 3<5S- 0 0 84 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.459 115.9-116.2 -83.7 -2.7 123.0 19.0 26.5 285 88 B G T < 5S+ 0 0 63 -3,-1.4 -3,-0.2 2,-0.3 -2,-0.1 0.581 85.7 114.9 80.8 12.0 125.0 15.9 27.6 286 89 B I S - 0 0 70 -2,-0.3 4,-1.8 1,-0.1 5,-0.1 -0.874 18.8-128.9-111.7 152.8 124.7 9.9 24.0 289 92 B Q H > S+ 0 0 72 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.873 109.3 61.5 -65.1 -33.3 124.2 9.1 20.3 290 93 B D H > S+ 0 0 118 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.914 104.9 44.8 -56.2 -48.5 125.7 5.7 21.1 291 94 B E H > S+ 0 0 40 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.894 111.9 52.7 -70.0 -35.2 123.0 4.7 23.5 292 95 B L H X S+ 0 0 0 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.931 113.6 43.1 -61.0 -45.5 120.3 6.0 21.2 293 96 B E H X>S+ 0 0 65 -4,-2.6 4,-1.7 2,-0.2 5,-1.5 0.878 113.1 52.2 -70.4 -35.8 121.6 3.9 18.3 294 97 B S H <5S+ 0 0 81 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.941 114.8 41.7 -62.6 -46.1 122.1 0.9 20.6 295 98 B L H <5S+ 0 0 63 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.873 116.2 49.3 -69.6 -38.0 118.6 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 0.736 103.9-131.8 -72.2 -23.0 117.2 1.9 18.4 297 100 B G T <5S+ 0 0 69 -4,-1.7 -3,-0.2 1,-0.2 -4,-0.1 0.763 75.8 23.3 74.7 26.8 119.1 -1.1 16.9 298 101 B G S - 0 0 90 -2,-0.2 3,-2.1 1,-0.1 29,-0.3 -0.806 33.3 -83.7-115.5 156.0 101.4 51.9 18.9 322 125 B V T 3 S+ 0 0 98 -2,-0.3 29,-0.2 1,-0.2 3,-0.1 -0.328 116.5 23.9 -54.4 128.3 98.4 50.5 17.0 323 126 B G T 3 S+ 0 0 49 27,-3.0 -1,-0.2 1,-0.4 2,-0.1 0.179 90.8 129.0 99.5 -15.8 98.1 52.2 13.6 324 127 B Q < - 0 0 82 -3,-2.1 26,-2.4 26,-0.1 2,-0.5 -0.439 59.6-122.3 -73.3 145.5 101.8 53.1 13.3 325 128 B R E -F 349 0C 163 24,-0.2 83,-2.0 -2,-0.1 2,-0.3 -0.786 35.7-179.7 -92.1 126.7 103.8 52.1 10.2 326 129 B V E -FG 348 407C 1 22,-2.8 22,-2.7 -2,-0.5 2,-0.4 -0.883 20.6-142.8-126.2 155.0 106.8 49.9 10.8 327 130 B R E -FG 347 406C 84 79,-2.8 79,-2.0 -2,-0.3 2,-0.5 -0.915 25.2-119.5-112.1 142.5 109.5 48.3 8.7 328 131 B V E - G 0 405C 1 18,-2.2 17,-1.1 -2,-0.4 77,-0.2 -0.735 45.5-101.2 -79.1 124.9 111.0 44.8 9.4 329 132 B R - 0 0 38 75,-2.8 2,-1.9 -2,-0.5 16,-0.3 -0.172 25.2-125.7 -51.1 133.7 114.7 45.3 10.1 330 133 B D + 0 0 113 14,-0.2 2,-0.3 15,-0.1 -1,-0.2 -0.570 63.5 136.2 -83.3 73.6 116.8 44.4 7.0 331 134 B E - 0 0 69 -2,-1.9 2,-0.5 73,-0.1 14,-0.0 -0.908 48.8-143.5-127.6 150.0 119.0 42.0 9.0 332 135 B Y - 0 0 152 -2,-0.3 -2,-0.0 12,-0.0 0, 0.0 -0.977 16.2-173.4-119.0 121.6 120.3 38.5 8.4 333 136 B V - 0 0 14 -2,-0.5 -134,-0.1 2,-0.1 -25,-0.0 -0.963 13.3-165.1-119.8 115.1 120.5 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 0.767 76.1 53.6 -74.6 -23.9 122.2 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 -0.034 112.2 -34.2 -89.9-159.0 120.8 31.3 14.1 336 139 B H + 0 0 0 26,-0.2 2,-0.3 25,-0.1 -1,-0.2 -0.292 63.2 162.5 -65.4 137.6 117.2 31.1 15.3 337 140 B I - 0 0 13 -139,-0.1 23,-0.0 -3,-0.1 -4,-0.0 -0.961 36.9-143.8-153.3 142.4 114.9 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 -0.233 71.8 102.3-101.3 42.1 111.0 34.2 14.3 339 142 B M - 0 0 8 61,-0.1 2,-0.2 59,-0.0 5,-0.1 -0.964 66.6-141.4-123.4 112.1 110.9 36.3 11.2 340 143 B P > - 0 0 0 0, 0.0 3,-1.9 0, 0.0 4,-0.4 -0.513 23.7-120.8 -69.5 142.2 110.0 34.6 8.0 341 144 B A G > S+ 0 0 33 1,-0.3 3,-1.4 2,-0.2 -142,-0.0 0.749 103.4 76.1 -60.7 -27.2 112.0 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 0.717 101.2 42.7 -58.2 -20.6 109.0 37.1 3.1 343 146 B C G X S+ 0 0 0 -3,-1.9 3,-2.2 3,-0.1 -15,-0.4 0.520 80.4 124.8-103.5 -4.2 108.7 40.1 5.5 344 147 B R T < S+ 0 0 35 -3,-1.4 -14,-0.2 -4,-0.4 -15,-0.1 -0.310 88.8 1.4 -57.9 129.4 112.3 41.1 5.8 345 148 B G T 3 S+ 0 0 27 -17,-1.1 -1,-0.3 -16,-0.3 2,-0.2 0.469 104.9 129.5 75.4 1.7 112.7 44.8 4.9 346 149 B R < - 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