==== 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 2ZPI . 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 . 402 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16181.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 253 62.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 4.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 28 7.0 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 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 43 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 109 27.1 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 14 A A 0 0 122 0, 0.0 2,-0.3 0, 0.0 292,-0.0 0.000 360.0 360.0 360.0 132.3 120.2 5.4 6.4 2 15 A Q - 0 0 54 293,-0.1 293,-0.2 291,-0.0 3,-0.1 -1.000 360.0-115.2-142.6 143.4 117.9 5.3 9.5 3 16 A A - 0 0 8 291,-2.7 5,-0.1 -2,-0.3 289,-0.1 -0.296 64.1 -71.4 -61.0 156.6 116.5 2.8 11.9 4 17 A P > - 0 0 82 0, 0.0 4,-2.0 0, 0.0 3,-0.4 -0.242 45.3-121.4 -51.8 143.0 112.7 2.6 11.8 5 18 A V H > S+ 0 0 33 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.880 111.9 56.6 -59.1 -38.8 111.2 5.8 13.3 6 19 A S H > S+ 0 0 47 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.917 108.1 48.8 -57.1 -43.0 109.2 3.8 15.9 7 20 A D H > S+ 0 0 74 -3,-0.4 4,-1.8 2,-0.2 -1,-0.2 0.883 112.9 47.1 -64.7 -39.1 112.5 2.2 17.1 8 21 A R H X S+ 0 0 7 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.913 112.3 49.1 -68.7 -42.9 114.2 5.7 17.2 9 22 A A H X S+ 0 0 0 -4,-3.1 4,-2.1 2,-0.2 -2,-0.2 0.946 114.9 43.9 -61.7 -48.3 111.2 7.3 19.1 10 23 A W H X S+ 0 0 80 -4,-2.6 4,-3.1 -5,-0.2 -1,-0.2 0.839 110.1 57.1 -67.6 -29.4 111.1 4.4 21.7 11 24 A A H X S+ 0 0 0 -4,-1.8 4,-2.7 -5,-0.2 -1,-0.2 0.914 106.4 49.5 -64.2 -42.5 114.9 4.5 21.9 12 25 A L H X S+ 0 0 2 -4,-2.2 4,-1.8 2,-0.2 5,-0.2 0.945 113.6 46.1 -61.3 -46.4 114.7 8.2 22.9 13 26 A F H X S+ 0 0 32 -4,-2.1 4,-3.1 1,-0.2 5,-0.3 0.939 114.9 46.5 -58.4 -49.2 112.0 7.3 25.5 14 27 A R H X S+ 0 0 120 -4,-3.1 4,-2.6 1,-0.2 -2,-0.2 0.866 109.0 54.5 -66.3 -37.0 114.0 4.4 26.9 15 28 A A H < S+ 0 0 3 -4,-2.7 4,-0.3 -5,-0.2 -1,-0.2 0.909 117.2 36.8 -63.2 -41.3 117.3 6.3 27.0 16 29 A L H ><>S+ 0 0 2 -4,-1.8 5,-2.0 -5,-0.2 3,-1.1 0.908 117.9 48.9 -77.8 -44.5 115.7 9.0 29.1 17 30 A D H ><5S+ 0 0 65 -4,-3.1 3,-1.9 1,-0.3 5,-0.2 0.888 105.8 58.9 -62.3 -39.6 113.4 6.8 31.2 18 31 A G T 3<5S+ 0 0 67 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.616 104.8 51.1 -66.6 -14.1 116.3 4.4 32.0 19 32 A K T < 5S- 0 0 106 -3,-1.1 -1,-0.3 -4,-0.3 -2,-0.2 0.265 118.8-110.5-103.7 6.8 118.1 7.4 33.6 20 33 A G T < 5S+ 0 0 67 -3,-1.9 -3,-0.2 2,-0.1 -2,-0.1 0.661 83.5 123.6 76.4 18.6 115.2 8.3 35.8 21 34 A L < + 0 0 42 -5,-2.0 -4,-0.2 1,-0.1 -3,-0.1 0.494 57.5 67.9 -92.2 -4.8 114.5 11.5 33.9 22 35 A V S S- 0 0 8 -6,-0.3 3,-0.1 -5,-0.2 -1,-0.1 -0.947 83.7-130.1-119.1 110.9 110.9 10.8 33.0 23 36 A P > - 0 0 55 0, 0.0 3,-1.9 0, 0.0 4,-0.3 -0.094 40.4 -82.1 -55.4 156.4 108.4 10.7 35.9 24 37 A D T 3 S+ 0 0 167 1,-0.3 -7,-0.0 2,-0.1 0, 0.0 -0.378 115.5 6.1 -60.3 134.5 106.1 7.7 36.2 25 38 A G T 3> S+ 0 0 39 -3,-0.1 4,-2.2 -2,-0.1 -1,-0.3 0.566 93.4 130.3 71.9 10.8 103.0 8.0 33.9 26 39 A Y H <> S+ 0 0 30 -3,-1.9 4,-2.1 2,-0.2 5,-0.2 0.957 72.2 35.3 -65.7 -56.7 104.5 11.2 32.3 27 40 A V H > S+ 0 0 4 -4,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.850 117.5 55.2 -69.1 -30.5 104.2 10.4 28.6 28 41 A E H > S+ 0 0 117 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.897 107.4 50.1 -66.5 -40.8 100.9 8.6 29.2 29 42 A G H X S+ 0 0 36 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.902 111.2 48.0 -63.6 -43.7 99.5 11.7 30.9 30 43 A W H X S+ 0 0 38 -4,-2.1 4,-2.9 2,-0.2 5,-0.2 0.912 108.4 55.0 -63.5 -40.6 100.5 13.9 28.0 31 44 A K H X S+ 0 0 36 -4,-2.4 4,-2.4 1,-0.2 5,-0.2 0.913 108.3 49.0 -58.1 -42.7 99.0 11.5 25.6 32 45 A K H X>S+ 0 0 89 -4,-2.0 4,-2.9 2,-0.2 5,-0.8 0.920 111.3 49.2 -64.6 -43.8 95.7 11.7 27.4 33 46 A T H X>S+ 0 0 37 -4,-2.1 5,-2.6 1,-0.2 4,-1.2 0.938 114.3 45.6 -57.7 -48.0 95.8 15.5 27.4 34 47 A F H <5S+ 0 0 1 -4,-2.9 75,-0.4 1,-0.2 -2,-0.2 0.855 122.0 35.9 -65.0 -38.2 96.6 15.6 23.7 35 48 A E H <5S+ 0 0 78 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.824 132.2 20.1 -86.6 -34.4 93.9 13.0 22.8 36 49 A E H <5S+ 0 0 122 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.741 126.2 35.2-112.7 -32.4 91.1 13.8 25.2 37 50 A D T <> - 0 0 28 66,-1.5 3,-1.6 -2,-0.4 4,-0.8 -0.981 60.8-131.2-160.6 139.3 89.9 19.7 21.4 40 53 A P H 3> S+ 0 0 25 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.642 103.2 78.1 -66.5 -11.3 88.3 21.9 18.7 41 54 A R H 3> S+ 0 0 95 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.823 91.3 53.9 -64.0 -28.4 85.0 21.2 20.6 42 55 A R H <> S+ 0 0 52 -3,-1.6 4,-2.0 2,-0.2 -1,-0.2 0.948 107.7 46.9 -69.4 -49.4 86.3 23.8 23.1 43 56 A G H X S+ 0 0 0 63,-1.6 4,-2.3 -4,-0.8 -2,-0.2 0.898 110.3 55.0 -57.5 -39.8 86.9 26.4 20.4 44 57 A A H X S+ 0 0 0 -4,-2.4 4,-2.6 62,-0.2 -1,-0.2 0.887 105.6 51.8 -61.8 -39.6 83.4 25.6 19.1 45 58 A E H X S+ 0 0 53 -4,-1.7 4,-2.1 2,-0.2 -1,-0.2 0.905 109.6 49.9 -61.3 -42.4 81.9 26.3 22.5 46 59 A L H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.897 111.8 47.9 -62.9 -42.7 83.7 29.7 22.6 47 60 A V H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.932 111.1 49.7 -65.2 -46.9 82.3 30.6 19.2 48 61 A A H X S+ 0 0 0 -4,-2.6 4,-1.2 2,-0.2 -2,-0.2 0.877 111.7 49.4 -61.9 -38.5 78.8 29.6 20.0 49 62 A R H >X S+ 0 0 59 -4,-2.1 4,-1.5 2,-0.2 3,-0.6 0.946 111.6 48.4 -63.1 -48.9 78.9 31.6 23.2 50 63 A A H 3< S+ 0 0 2 -4,-2.5 7,-0.3 1,-0.2 -2,-0.2 0.874 109.5 53.9 -59.3 -37.7 80.2 34.6 21.3 51 64 A W H 3< S+ 0 0 28 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.789 119.4 32.5 -66.3 -28.6 77.5 34.2 18.7 52 65 A T H << S+ 0 0 54 -4,-1.2 -1,-0.2 -3,-0.6 -2,-0.2 0.501 116.9 54.9-108.1 -6.0 74.7 34.2 21.3 53 66 A D X - 0 0 36 -4,-1.5 4,-2.4 -3,-0.1 3,-0.5 -0.844 58.2-168.6-136.5 92.5 76.2 36.6 23.9 54 67 A P H > S+ 0 0 102 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.796 89.8 55.7 -52.9 -32.7 77.2 40.1 22.7 55 68 A E H > S+ 0 0 162 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.925 109.8 44.0 -67.9 -44.5 79.0 40.8 25.9 56 69 A F H > S+ 0 0 5 -3,-0.5 4,-3.4 2,-0.2 5,-0.2 0.882 109.5 57.5 -67.1 -37.7 81.2 37.7 25.7 57 70 A R H X S+ 0 0 79 -4,-2.4 4,-2.3 -7,-0.3 -1,-0.2 0.938 107.1 48.9 -55.6 -46.7 81.8 38.4 22.0 58 71 A Q H X S+ 0 0 125 -4,-1.9 4,-1.2 2,-0.2 5,-0.2 0.914 113.0 46.7 -61.0 -43.9 83.2 41.8 23.0 59 72 A L H >X S+ 0 0 46 -4,-1.9 4,-3.3 1,-0.2 3,-0.6 0.948 111.2 52.1 -62.2 -47.9 85.4 40.2 25.7 60 73 A L H 3< S+ 0 0 0 -4,-3.4 23,-0.7 1,-0.2 -2,-0.2 0.866 113.7 43.6 -57.1 -39.7 86.7 37.4 23.3 61 74 A L H 3< S+ 0 0 46 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.652 122.5 36.5 -83.6 -15.1 87.7 40.0 20.7 62 75 A T H << S+ 0 0 94 -4,-1.2 -2,-0.2 -3,-0.6 -3,-0.2 0.748 136.2 13.6-107.1 -32.2 89.3 42.5 23.1 63 76 A D X + 0 0 74 -4,-3.3 4,-2.0 -5,-0.2 3,-0.3 -0.604 66.1 172.4-143.0 76.4 91.0 40.1 25.6 64 77 A G H > S+ 0 0 5 17,-0.3 4,-2.8 1,-0.2 5,-0.3 0.867 79.0 57.4 -54.7 -40.6 90.9 36.6 24.1 65 78 A T H > S+ 0 0 28 16,-0.8 4,-2.4 1,-0.2 -1,-0.2 0.920 108.1 45.7 -57.3 -46.0 93.1 35.3 27.0 66 79 A A H > S+ 0 0 32 -3,-0.3 4,-1.5 2,-0.2 -1,-0.2 0.891 113.1 50.1 -66.3 -39.8 90.6 36.4 29.6 67 80 A A H X S+ 0 0 0 -4,-2.0 4,-0.8 -8,-0.3 -2,-0.2 0.923 113.5 44.8 -64.8 -46.4 87.6 35.0 27.7 68 81 A V H >X>S+ 0 0 0 -4,-2.8 5,-2.1 1,-0.2 3,-0.9 0.895 109.1 57.2 -65.4 -37.9 89.3 31.6 27.2 69 82 A A H ><5S+ 0 0 46 -4,-2.4 3,-1.1 -5,-0.3 -1,-0.2 0.837 95.5 65.4 -62.6 -31.7 90.4 31.6 30.8 70 83 A Q H 3<5S+ 0 0 126 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.847 106.4 42.3 -59.0 -34.0 86.7 32.0 31.9 71 84 A Y H <<5S- 0 0 49 -3,-0.9 -1,-0.3 -4,-0.8 -2,-0.2 0.494 116.5-117.8 -86.0 -7.5 86.1 28.5 30.4 72 85 A G T <<5S+ 0 0 55 -3,-1.1 -3,-0.2 -4,-0.5 -2,-0.1 0.761 75.5 129.1 76.3 27.3 89.3 27.2 31.9 73 86 A Y < + 0 0 41 -5,-2.1 -4,-0.2 -31,-0.1 2,-0.1 0.273 25.5 116.5-105.3 11.1 90.8 26.5 28.4 74 87 A L + 0 0 65 -6,-0.2 5,-0.2 -5,-0.1 3,-0.0 -0.448 40.9 130.0 -64.7 154.1 94.2 28.1 28.6 75 88 A G B > -A 78 0A 15 3,-1.2 3,-1.8 -2,-0.1 31,-0.1 -0.978 55.6 -20.4 179.2-172.9 97.0 25.6 28.3 76 89 A P T 3 S+ 0 0 40 0, 0.0 28,-0.1 0, 0.0 0, 0.0 -0.253 131.2 6.8 -53.0 132.7 100.2 24.6 26.6 77 90 A Q T 3 S+ 0 0 27 27,-0.1 27,-0.8 26,-0.1 25,-0.1 0.791 125.8 72.7 59.0 31.7 100.6 26.5 23.3 78 91 A G B < +A 75 0A 1 -3,-1.8 -3,-1.2 25,-0.2 3,-0.2 -0.082 53.2 111.3-165.7 50.5 97.5 28.5 24.2 79 92 A E S S+ 0 0 146 1,-0.3 2,-0.4 73,-0.3 74,-0.1 0.636 80.9 41.1-105.5 -21.5 98.4 30.9 27.0 80 93 A Y S S- 0 0 18 72,-0.5 74,-2.6 2,-0.0 2,-0.4 -0.931 80.8-171.9-128.4 104.9 98.0 34.2 25.0 81 94 A I E -b 154 0B 2 -2,-0.4 -16,-0.8 72,-0.2 2,-0.4 -0.831 15.6-176.6-108.4 133.9 95.0 34.0 22.8 82 95 A V E -b 155 0B 25 72,-2.0 74,-1.6 -2,-0.4 2,-0.4 -0.994 12.6-155.0-123.8 125.2 93.8 36.4 20.1 83 96 A A E -b 156 0B 7 -23,-0.7 2,-0.5 -2,-0.4 74,-0.2 -0.824 9.2-151.2 -94.9 137.0 90.5 35.8 18.4 84 97 A V E -b 157 0B 8 72,-2.5 74,-2.9 -2,-0.4 2,-0.5 -0.942 12.1-134.1-117.6 130.6 90.1 37.3 14.9 85 98 A E E -b 158 0B 73 -2,-0.5 2,-0.2 72,-0.2 72,-0.1 -0.699 6.5-147.6 -95.3 118.8 86.7 38.3 13.6 86 99 A D - 0 0 8 72,-2.6 5,-0.2 -2,-0.5 -1,-0.0 -0.528 23.3-177.2 -70.1 149.7 85.4 37.4 10.1 87 100 A T B > -C 90 0C 36 3,-2.0 3,-1.6 -2,-0.2 73,-0.1 -0.855 47.1 -85.8-138.2 173.2 83.0 40.0 8.7 88 101 A P T 3 S+ 0 0 94 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 0.764 132.3 32.5 -53.4 -23.8 81.0 40.3 5.5 89 102 A T T 3 S+ 0 0 89 1,-0.1 54,-2.6 53,-0.1 2,-0.4 0.254 114.7 65.0-116.1 10.9 84.1 41.8 3.8 90 103 A L E < -Cd 87 143C 22 -3,-1.6 -3,-2.0 52,-0.2 2,-0.5 -0.976 49.7-174.5-143.0 126.0 86.9 39.9 5.7 91 104 A K E - d 0 144C 8 52,-3.0 54,-2.7 -2,-0.4 2,-0.3 -0.981 15.9-156.1-118.2 123.6 87.9 36.2 5.9 92 105 A N E - d 0 145C 1 -2,-0.5 2,-0.3 52,-0.2 54,-0.2 -0.740 10.8-176.9 -98.4 145.9 90.7 35.3 8.3 93 106 A V E - d 0 146C 0 52,-2.2 54,-3.1 -2,-0.3 2,-0.4 -0.995 13.0-144.1-141.9 140.5 92.9 32.2 8.0 94 107 A I E + d 0 147C 5 89,-2.4 2,-0.3 -2,-0.3 54,-0.2 -0.850 24.6 156.2-111.3 143.6 95.7 30.9 10.3 95 108 A V E - d 0 148C 0 52,-2.4 54,-3.1 -2,-0.4 2,-0.4 -0.955 36.3-141.4-147.2 163.2 99.0 29.2 9.5 96 109 A C > - 0 0 0 18,-0.4 3,-0.9 -2,-0.3 52,-0.1 -0.856 21.9-179.5-121.3 95.9 102.4 28.6 11.0 97 110 A S T 3 S+ 0 0 0 -2,-0.4 102,-0.7 1,-0.2 -1,-0.1 0.824 79.3 51.8 -67.2 -25.6 104.7 28.9 8.0 98 111 A L T 3 S- 0 0 4 51,-0.2 -1,-0.2 100,-0.1 52,-0.1 0.605 135.3 -39.6 -86.2 -16.9 107.8 28.3 10.0 99 112 A X S < S- 0 0 9 -3,-0.9 -3,-0.2 2,-0.1 21,-0.1 -0.225 90.3 -59.8-170.3 -90.2 106.6 25.0 11.8 100 113 A S + 0 0 5 49,-0.2 -3,-0.1 -5,-0.1 16,-0.0 0.408 54.8 172.2-164.8 9.1 103.0 24.2 13.2 101 114 A X + 0 0 6 48,-0.2 2,-0.3 1,-0.0 48,-0.2 0.076 16.5 160.1 -49.3 129.5 102.2 26.8 15.9 102 115 A T - 0 0 6 -25,-0.1 2,-2.2 52,-0.1 54,-0.1 -0.983 54.9-104.1-152.4 143.6 98.5 26.2 16.8 103 116 A A >> - 0 0 1 52,-0.5 4,-2.2 -2,-0.3 3,-1.1 -0.513 47.4-175.4 -73.2 76.0 96.2 27.1 19.8 104 117 A W H 3> + 0 0 10 -2,-2.2 4,-2.2 -27,-0.8 -1,-0.2 0.822 68.9 53.1 -46.9 -49.6 96.4 23.5 21.0 105 118 A P H 34 S+ 0 0 1 0, 0.0 -66,-1.5 0, 0.0 -1,-0.2 0.828 122.4 27.9 -65.9 -26.7 93.9 23.6 23.9 106 119 A I H <4 S+ 0 0 0 -3,-1.1 -63,-1.6 -68,-0.2 -62,-0.2 0.591 132.5 32.4-109.9 -16.0 91.0 25.1 21.9 107 120 A L H < S- 0 0 5 -4,-2.2 -3,-0.2 1,-0.1 76,-0.1 0.541 104.6-123.5-108.1 -15.0 91.7 23.9 18.4 108 121 A G < - 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0 0 18 116,-0.3 4,-1.1 -2,-0.3 3,-0.2 -0.576 34.4-110.4 -95.4 166.9 113.6 26.0 25.9 244 52 B V H > S+ 0 0 29 1,-0.2 4,-2.2 2,-0.2 3,-0.5 0.889 120.9 60.7 -62.0 -35.9 110.8 25.4 23.4 245 53 B D H > S+ 0 0 14 1,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.882 99.5 54.7 -59.5 -39.2 112.7 27.9 21.2 246 54 B E H > S+ 0 0 14 113,-0.3 4,-2.5 2,-0.2 -1,-0.3 0.834 105.5 53.6 -63.3 -32.0 115.7 25.6 21.2 247 55 B V H X S+ 0 0 3 -4,-1.1 4,-1.9 -3,-0.5 -2,-0.2 0.931 108.4 48.6 -67.3 -44.8 113.4 22.8 19.9 248 56 B R H X S+ 0 0 13 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.948 114.4 46.6 -57.8 -46.1 112.3 25.0 17.0 249 57 B Y H X S+ 0 0 6 -4,-2.5 4,-1.4 1,-0.2 -2,-0.2 0.906 108.0 53.6 -67.1 -40.9 115.9 25.8 16.2 250 58 B V H < S+ 0 0 0 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.880 109.8 49.6 -65.1 -32.6 117.3 22.3 16.4 251 59 B V H >< S+ 0 0 4 -4,-1.9 3,-1.8 1,-0.2 -1,-0.2 0.911 107.6 53.8 -67.4 -41.2 114.6 21.2 14.0 252 60 B E H 3< S+ 0 0 11 -4,-2.1 -55,-0.2 1,-0.3 -1,-0.2 0.781 102.9 61.6 -58.2 -27.3 115.6 24.1 11.7 253 61 B R T 3< S+ 0 0 16 -4,-1.4 46,-2.3 -5,-0.1 -1,-0.3 0.417 72.9 120.9 -87.0 0.2 119.1 22.7 11.9 254 62 B M S < S- 0 0 5 -3,-1.8 44,-0.1 44,-0.3 5,-0.1 -0.357 85.5 -90.8 -54.5 140.7 118.2 19.3 10.3 255 63 B E > - 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