==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 31-DEC-06 2OEQ . COMPND 2 MOLECULE: PROTEIN OF UNKNOWN FUNCTION, DUF964; . SOURCE 2 ORGANISM_SCIENTIFIC: GEOBACILLUS STEAROTHERMOPHILUS; . AUTHOR Y.KIM,R.WU,F.COLLART,A.JOACHIMIAK,MIDWEST CENTER FOR . 460 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25306.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 419 91.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 0 0.0 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 . 5 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 59 12.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 349 75.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.9 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 1 0 0 0 0 1 1 0 0 1 3 7 0 0 0 0 1 0 2 1 1 0 0 0 0 0 3 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 0 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 . 0 0 0 0 0 0 0 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 . 0 0 0 0 0 0 0 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 3 A E > 0 0 135 0, 0.0 4,-0.5 0, 0.0 407,-0.1 0.000 360.0 360.0 360.0 -57.1 6.4 51.0 23.5 2 4 A P T 4 + 0 0 69 0, 0.0 4,-0.2 0, 0.0 3,-0.1 0.817 360.0 45.6 -73.0 -34.9 3.8 48.7 21.7 3 5 A L T >> S+ 0 0 4 1,-0.1 3,-3.9 2,-0.1 4,-1.1 0.945 91.1 77.6 -76.6 -52.5 4.9 50.0 18.3 4 6 A H H >> S+ 0 0 29 1,-0.3 4,-2.4 2,-0.2 3,-1.3 0.746 88.7 58.9 -25.4 -58.9 8.7 49.9 18.5 5 7 A A H 3X S+ 0 0 72 -4,-0.5 4,-1.3 1,-0.3 -1,-0.3 0.782 106.6 49.5 -47.6 -32.3 8.9 46.1 18.0 6 8 A L H <> S+ 0 0 61 -3,-3.9 4,-1.8 -4,-0.2 -1,-0.3 0.763 108.8 53.8 -76.7 -30.0 7.1 46.6 14.6 7 9 A A H < S+ 0 0 1 -4,-2.8 3,-2.2 1,-0.2 6,-0.4 0.997 110.7 48.5 -59.7 -66.2 14.4 47.1 5.0 15 17 A R H 3< S+ 0 0 73 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.756 115.6 47.0 -46.2 -29.6 18.0 46.3 5.5 16 18 A A H 3< S+ 0 0 67 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.671 86.9 110.9 -91.1 -15.0 17.4 42.8 4.2 17 19 A S S S+ 0 0 104 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.907 112.9 58.4 -50.1 -47.2 16.9 43.3 -2.3 19 21 A P H > S+ 0 0 24 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.903 107.6 44.6 -50.7 -47.8 17.0 47.1 -3.0 20 22 A F H > S+ 0 0 5 -3,-0.5 4,-2.7 -6,-0.4 -2,-0.2 0.865 113.2 50.9 -68.5 -34.6 19.1 47.8 -0.0 21 23 A Q H X S+ 0 0 50 -4,-1.8 4,-4.2 2,-0.2 5,-0.3 0.961 106.8 54.3 -63.9 -51.1 21.5 45.0 -0.7 22 24 A Q H X S+ 0 0 84 -4,-3.2 4,-2.3 1,-0.2 -2,-0.2 0.909 109.4 49.5 -43.6 -53.4 21.8 46.2 -4.3 23 25 A L H X S+ 0 0 1 -4,-2.1 4,-2.2 -5,-0.2 -1,-0.2 0.940 112.3 46.4 -55.4 -53.9 22.8 49.6 -2.7 24 26 A K H >X S+ 0 0 99 -4,-2.7 4,-2.6 1,-0.2 3,-0.6 0.983 109.7 53.4 -53.9 -57.0 25.3 47.9 -0.4 25 27 A R H 3X S+ 0 0 113 -4,-4.2 4,-2.6 1,-0.3 -1,-0.2 0.893 110.9 49.6 -45.5 -39.0 26.7 45.9 -3.4 26 28 A A H 3X S+ 0 0 4 -4,-2.3 4,-1.8 -5,-0.3 -1,-0.3 0.856 105.2 53.8 -71.1 -35.9 27.1 49.2 -5.1 27 29 A Y H < S+ 0 0 0 -4,-1.8 3,-1.8 50,-0.2 7,-0.6 0.961 112.6 53.7 -70.5 -52.2 33.0 51.7 -5.7 31 33 A R H 3< S+ 0 0 78 -4,-3.1 -2,-0.2 1,-0.3 -1,-0.2 0.852 111.1 49.7 -51.2 -36.3 35.0 51.2 -2.5 32 34 A R T 3< S+ 0 0 209 -4,-3.0 2,-0.8 -5,-0.2 -1,-0.3 0.567 94.2 80.4 -81.3 -10.8 36.9 48.3 -4.3 33 35 A D <> - 0 0 36 -3,-1.8 4,-2.6 -4,-0.5 5,-0.3 -0.822 66.7-155.1-104.0 101.7 37.8 50.3 -7.4 34 36 A E T 4 S+ 0 0 161 -2,-0.8 -1,-0.2 1,-0.2 4,-0.2 0.848 95.1 49.7 -35.1 -53.7 40.8 52.5 -6.8 35 37 A T T >> S+ 0 0 75 1,-0.2 4,-1.2 2,-0.2 3,-1.2 0.944 116.3 37.7 -51.9 -63.0 39.7 54.8 -9.6 36 38 A A H 3> S+ 0 0 0 1,-0.3 4,-2.4 2,-0.2 5,-0.2 0.841 107.3 61.5 -61.0 -42.7 36.0 55.2 -8.5 37 39 A Y H 3X S+ 0 0 44 -4,-2.6 4,-0.5 -7,-0.6 -1,-0.3 0.446 103.6 57.6 -68.1 2.9 36.6 55.4 -4.7 38 40 A R H <> S+ 0 0 170 -3,-1.2 4,-2.2 -5,-0.3 3,-0.3 0.865 106.1 42.5 -91.2 -70.6 38.7 58.4 -5.6 39 41 A X H X S+ 0 0 46 -4,-1.2 4,-2.6 1,-0.2 5,-0.2 0.870 114.2 55.0 -39.9 -52.2 36.0 60.5 -7.4 40 42 A F H X S+ 0 0 15 -4,-2.4 4,-3.1 1,-0.3 -1,-0.2 0.944 108.0 46.5 -49.4 -57.2 33.5 59.5 -4.7 41 43 A A H X S+ 0 0 21 -4,-0.5 4,-2.3 -3,-0.3 -1,-0.3 0.866 111.2 55.0 -57.6 -34.1 35.7 60.7 -1.8 42 44 A N H X S+ 0 0 77 -4,-2.2 4,-2.5 2,-0.2 5,-0.3 0.975 111.4 41.2 -62.2 -56.9 36.2 63.9 -3.8 43 45 A V H X S+ 0 0 11 -4,-2.6 4,-3.0 1,-0.2 5,-0.2 0.962 114.7 54.5 -52.7 -56.3 32.6 64.7 -4.2 44 46 A R H X S+ 0 0 39 -4,-3.1 4,-2.4 -5,-0.2 -1,-0.2 0.852 109.4 47.1 -44.7 -44.9 32.0 63.6 -0.6 45 47 A D H X S+ 0 0 86 -4,-2.3 4,-2.4 -5,-0.2 -1,-0.2 0.929 112.5 46.1 -71.4 -42.6 34.6 66.0 0.6 46 48 A I H X S+ 0 0 14 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.888 114.4 52.0 -68.7 -31.6 33.4 69.1 -1.3 47 49 A Q H X S+ 0 0 66 -4,-3.0 4,-2.7 -5,-0.3 -2,-0.2 0.931 111.2 43.7 -67.7 -46.0 29.9 68.2 -0.2 48 50 A L H X S+ 0 0 89 -4,-2.4 4,-2.4 -5,-0.2 -1,-0.2 0.885 110.6 57.7 -65.2 -38.5 30.7 68.0 3.5 49 51 A R H X S+ 0 0 121 -4,-2.4 4,-1.7 -5,-0.2 -1,-0.2 0.878 111.1 42.3 -60.5 -38.4 32.8 71.1 3.1 50 52 A L H X S+ 0 0 14 -4,-1.8 4,-2.7 2,-0.2 5,-0.2 0.957 110.3 54.7 -72.5 -49.9 29.7 73.0 1.8 51 53 A H H X S+ 0 0 113 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.907 110.6 49.2 -48.1 -46.1 27.3 71.5 4.3 52 54 A E H X S+ 0 0 118 -4,-2.4 4,-1.5 2,-0.2 -1,-0.2 0.917 106.9 50.8 -60.9 -52.4 29.6 72.7 7.0 53 55 A K H <>S+ 0 0 24 -4,-1.7 5,-2.4 1,-0.2 3,-0.3 0.903 113.2 50.8 -53.9 -39.3 30.0 76.3 5.8 54 56 A Q H ><5S+ 0 0 55 -4,-2.7 3,-2.1 3,-0.2 -1,-0.2 0.883 101.5 57.8 -67.7 -39.3 26.3 76.3 5.7 55 57 A X H 3<5S+ 0 0 132 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.794 113.8 41.2 -64.9 -23.3 25.7 75.0 9.2 56 58 A R T 3<5S- 0 0 162 -4,-1.5 -1,-0.3 -3,-0.3 -2,-0.2 0.222 116.0-119.7-105.4 15.9 27.7 78.0 10.4 57 59 A G T < 5 + 0 0 13 -3,-2.1 -3,-0.2 1,-0.2 -4,-0.1 0.544 54.6 163.3 61.8 11.6 26.0 80.3 7.9 58 60 A A < - 0 0 16 -5,-2.4 -1,-0.2 -6,-0.2 2,-0.1 -0.100 44.5 -94.6 -58.4 157.7 29.2 81.2 6.1 59 61 A A - 0 0 23 291,-0.0 2,-0.3 1,-0.0 -1,-0.1 -0.416 33.2-165.8 -72.3 148.8 29.2 82.8 2.7 60 62 A I - 0 0 2 -2,-0.1 148,-0.2 144,-0.1 5,-0.1 -0.806 10.5-153.3-138.7 91.3 29.6 80.5 -0.3 61 63 A L >> - 0 0 94 -2,-0.3 3,-0.9 1,-0.1 4,-0.8 -0.300 33.5-102.3 -67.5 155.6 30.5 82.3 -3.5 62 64 A P H 3> S+ 0 0 33 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.671 115.3 76.6 -46.7 -27.9 29.4 80.7 -6.9 63 65 A D H >> S+ 0 0 106 2,-0.2 4,-2.0 1,-0.2 3,-0.6 0.976 98.7 44.9 -43.4 -69.4 33.0 79.6 -7.4 64 66 A E H <> S+ 0 0 24 -3,-0.9 4,-2.8 1,-0.3 5,-0.2 0.895 112.6 44.7 -43.8 -65.0 32.3 76.9 -4.9 65 67 A I H 3X S+ 0 0 1 -4,-0.8 4,-2.7 1,-0.2 -1,-0.3 0.832 110.3 59.1 -63.0 -20.5 29.0 75.6 -6.0 66 68 A E H X S+ 0 0 106 -4,-2.2 4,-2.2 2,-0.2 3,-1.3 0.999 107.9 46.2 -63.5 -65.1 31.5 70.2 -11.9 71 73 A A H 3X S+ 0 0 6 -4,-3.0 4,-1.6 1,-0.3 -2,-0.2 0.797 109.1 59.2 -46.2 -35.5 32.8 67.4 -9.8 72 74 A X H 3X S+ 0 0 66 -4,-1.8 4,-2.7 -5,-0.3 -1,-0.3 0.874 106.1 43.6 -68.2 -39.6 29.3 65.9 -9.6 73 75 A A H << S+ 0 0 15 -4,-1.6 -2,-0.2 -3,-1.3 -1,-0.2 0.895 112.3 53.8 -72.6 -36.0 28.8 65.5 -13.4 74 76 A L H >X S+ 0 0 60 -4,-2.2 4,-0.7 1,-0.2 3,-0.7 0.840 110.0 51.6 -60.1 -32.5 32.4 64.1 -13.5 75 77 A A H >< S+ 0 0 0 -4,-1.6 3,-1.2 -5,-0.3 -2,-0.2 0.986 101.9 53.6 -65.7 -62.0 31.0 61.8 -10.9 76 78 A Q T 3< S+ 0 0 45 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.371 101.7 74.2 -57.0 13.0 28.0 60.7 -12.9 77 79 A Q T <4 S+ 0 0 117 -3,-0.7 2,-0.5 -5,-0.1 -1,-0.2 0.874 77.9 70.0 -92.9 -49.6 30.8 60.0 -15.4 78 80 A N S XX S- 0 0 21 -3,-1.2 4,-2.0 -4,-0.7 3,-0.5 -0.631 81.6-132.7 -79.1 122.3 32.4 56.8 -14.0 79 81 A E H 3> S+ 0 0 155 -2,-0.5 4,-1.6 1,-0.2 5,-0.2 0.794 101.1 44.2 -38.3 -53.5 30.1 53.7 -14.3 80 82 A K H 3> S+ 0 0 70 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.853 113.1 49.5 -68.8 -39.3 30.4 52.4 -10.8 81 83 A L H <> S+ 0 0 2 -3,-0.5 4,-2.1 1,-0.2 -1,-0.2 0.797 107.2 60.2 -70.6 -27.2 30.1 55.7 -9.1 82 84 A A H X S+ 0 0 14 -4,-2.0 4,-3.4 2,-0.2 -2,-0.2 0.954 103.0 45.4 -67.0 -51.5 27.0 56.4 -11.1 83 85 A R H X S+ 0 0 116 -4,-1.6 4,-4.2 2,-0.2 5,-0.3 0.873 110.6 56.7 -62.8 -32.7 24.9 53.5 -10.0 84 86 A L H X S+ 0 0 4 -4,-1.2 4,-3.6 2,-0.2 5,-0.2 0.979 111.8 41.0 -60.1 -56.4 25.8 54.2 -6.4 85 87 A X H X S+ 0 0 37 -4,-2.1 4,-2.4 2,-0.2 5,-0.3 0.950 116.9 50.5 -55.8 -49.7 24.5 57.8 -6.7 86 88 A A H X S+ 0 0 3 -4,-3.4 4,-2.0 1,-0.2 -2,-0.2 0.962 116.1 40.0 -55.1 -52.6 21.6 56.6 -8.6 87 89 A L H X S+ 0 0 15 -4,-4.2 4,-1.9 1,-0.2 5,-0.2 0.873 111.9 56.6 -66.4 -36.1 20.7 53.9 -6.1 88 90 A E H X S+ 0 0 35 -4,-3.6 4,-3.3 -5,-0.3 -1,-0.2 0.916 109.3 45.8 -61.8 -41.7 21.5 56.1 -3.1 89 91 A Q H X S+ 0 0 53 -4,-2.4 4,-3.9 -5,-0.2 5,-0.4 0.935 112.3 50.3 -67.3 -43.0 19.0 58.7 -4.3 90 92 A Q H X S+ 0 0 12 -4,-2.0 4,-1.4 -5,-0.3 -1,-0.2 0.828 115.0 44.4 -65.3 -27.5 16.3 56.1 -5.0 91 93 A X H X S+ 0 0 2 -4,-1.9 4,-2.7 -5,-0.2 5,-0.3 0.932 113.2 52.5 -78.9 -45.8 16.9 54.7 -1.5 92 94 A S H X S+ 0 0 49 -4,-3.3 4,-1.1 -5,-0.2 -2,-0.2 0.925 116.2 36.6 -56.0 -49.8 16.9 58.1 -0.1 93 95 A I H X S+ 0 0 17 -4,-3.9 4,-1.2 1,-0.2 -1,-0.2 0.873 114.9 57.1 -77.2 -25.4 13.6 59.2 -1.6 94 96 A T H X S+ 0 0 2 -4,-1.4 4,-1.5 -5,-0.4 3,-0.3 0.915 108.2 43.6 -69.6 -41.1 12.0 55.7 -1.2 95 97 A I H X S+ 0 0 5 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.837 107.6 62.7 -74.5 -21.1 12.5 55.5 2.5 96 98 A A H X S+ 0 0 30 -4,-1.1 4,-1.2 -5,-0.3 -1,-0.2 0.843 105.3 46.6 -65.4 -32.8 11.4 59.1 2.7 97 99 A E H X S+ 0 0 1 -4,-1.2 4,-2.4 -3,-0.3 -1,-0.2 0.827 105.6 58.3 -77.3 -30.9 8.1 57.8 1.3 98 100 A V H X S+ 0 0 5 -4,-1.5 4,-1.4 1,-0.2 -2,-0.2 0.976 106.0 50.7 -60.0 -53.1 8.0 55.0 3.8 99 101 A Q H X S+ 0 0 51 -4,-2.5 4,-1.2 1,-0.2 -1,-0.2 0.837 108.1 51.7 -50.7 -41.2 8.2 57.5 6.6 100 102 A Q H >X S+ 0 0 80 -4,-1.2 4,-0.7 1,-0.2 3,-0.5 0.933 107.5 53.7 -64.7 -44.2 5.2 59.5 5.0 101 103 A I H 3< S+ 0 0 8 -4,-2.4 3,-0.3 1,-0.2 -1,-0.2 0.785 104.4 54.8 -59.6 -30.3 3.2 56.3 4.8 102 104 A A H 3< S+ 0 0 2 -4,-1.4 4,-0.3 1,-0.2 -1,-0.2 0.822 103.8 54.1 -75.4 -29.8 3.7 55.7 8.5 103 105 A X H XX S+ 0 0 48 -4,-1.2 4,-1.6 -3,-0.5 3,-0.8 0.635 88.3 89.9 -75.5 -12.4 2.4 59.1 9.4 104 106 A K H >X S+ 0 0 74 -4,-0.7 4,-2.8 -3,-0.3 3,-1.1 0.936 76.7 56.1 -51.5 -61.0 -0.7 58.1 7.4 105 107 A P H 3> S+ 0 0 0 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.830 109.7 48.9 -42.1 -36.5 -2.8 56.6 10.2 106 108 A L H <> S+ 0 0 6 -3,-0.8 4,-1.9 -4,-0.3 -2,-0.2 0.864 108.8 50.5 -76.0 -34.5 -2.4 59.8 12.1 107 109 A E H < S+ 0 0 91 -4,-1.9 3,-3.1 1,-0.2 -1,-0.2 0.947 104.0 57.3 -59.9 -49.9 -7.2 64.1 11.8 111 113 A R H 3< S+ 0 0 174 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.942 96.4 66.8 -43.3 -54.2 -9.3 64.0 8.7 112 114 A S T 3< 0 0 73 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.656 360.0 360.0 -44.0 -22.6 -12.0 62.5 10.9 113 115 A F < 0 0 47 -3,-3.1 -3,-0.1 -4,-0.4 -2,-0.0 0.154 360.0 360.0-123.9 360.0 -12.3 65.8 12.7 114 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 115 3 B E > 0 0 64 0, 0.0 4,-0.7 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 118.7 3.3 94.1 12.2 116 4 B P H > + 0 0 88 0, 0.0 4,-0.5 0, 0.0 3,-0.3 0.891 360.0 35.5 -63.2 -49.5 6.5 95.8 13.6 117 5 B L H > S+ 0 0 5 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.514 95.6 88.2 -88.3 -4.0 9.1 93.9 11.6 118 6 B H H > S+ 0 0 50 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.945 87.1 51.1 -58.3 -49.3 7.0 93.7 8.5 119 7 B A H X S+ 0 0 64 -4,-0.7 4,-2.0 -3,-0.3 -1,-0.2 0.969 110.6 49.8 -49.8 -56.3 8.2 97.0 7.2 120 8 B L H X S+ 0 0 60 -4,-0.5 4,-1.9 1,-0.2 -1,-0.2 0.879 107.3 57.3 -48.8 -45.0 11.8 95.7 7.8 121 9 B A H X S+ 0 0 1 -4,-2.5 4,-2.2 1,-0.2 3,-0.5 0.955 103.2 49.5 -54.2 -57.9 10.9 92.6 5.9 122 10 B R H X S+ 0 0 133 -4,-2.3 4,-2.6 1,-0.3 -1,-0.2 0.899 107.9 56.0 -53.4 -38.1 9.8 94.2 2.7 123 11 B Q H X S+ 0 0 108 -4,-2.0 4,-2.5 -5,-0.2 -1,-0.3 0.924 105.6 50.8 -60.2 -41.6 13.0 96.2 2.8 124 12 B L H X S+ 0 0 13 -4,-1.9 4,-2.9 -3,-0.5 -1,-0.2 0.917 110.2 50.9 -60.2 -43.5 15.1 93.0 2.9 125 13 B E H X S+ 0 0 32 -4,-2.2 4,-3.0 2,-0.2 5,-0.4 0.930 109.0 50.1 -57.3 -50.1 13.1 91.7 -0.1 126 14 B Q H X S+ 0 0 116 -4,-2.6 4,-2.9 1,-0.2 -2,-0.2 0.967 114.0 45.0 -54.6 -55.5 13.8 94.8 -2.1 127 15 B A H X S+ 0 0 28 -4,-2.5 4,-1.6 1,-0.2 -1,-0.2 0.888 112.2 53.9 -55.3 -44.2 17.5 94.6 -1.3 128 16 B I H >< S+ 0 0 1 -4,-2.9 3,-0.8 1,-0.2 6,-0.3 0.976 114.2 36.9 -60.3 -58.1 17.5 90.9 -2.0 129 17 B R H 3< S+ 0 0 73 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.879 117.9 53.7 -66.2 -30.2 16.0 91.1 -5.5 130 18 B A H 3< S+ 0 0 63 -4,-2.9 -1,-0.2 -5,-0.4 -2,-0.2 0.699 88.4 111.6 -72.3 -20.6 17.9 94.3 -6.2 131 19 B S S S+ 0 0 104 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.897 115.5 47.8 -47.5 -49.3 24.1 92.1 -7.7 133 21 B P H > S+ 0 0 27 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.917 111.2 49.1 -63.9 -41.0 23.9 88.4 -7.1 134 22 B F H > S+ 0 0 7 -6,-0.3 4,-2.0 1,-0.2 -2,-0.2 0.885 110.9 53.1 -64.1 -35.2 20.2 88.3 -7.6 135 23 B Q H X S+ 0 0 40 -4,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.873 108.4 47.8 -65.3 -40.6 20.6 90.3 -10.8 136 24 B Q H X S+ 0 0 83 -4,-2.1 4,-3.0 2,-0.2 -1,-0.2 0.812 107.2 56.3 -72.0 -28.7 23.2 87.9 -12.3 137 25 B L H X S+ 0 0 1 -4,-1.8 4,-2.0 -5,-0.2 -2,-0.2 0.957 109.8 47.0 -65.2 -45.6 21.0 84.9 -11.4 138 26 B K H X S+ 0 0 87 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.952 111.5 51.2 -56.2 -50.5 18.4 86.8 -13.5 139 27 B R H X S+ 0 0 115 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.936 110.0 49.2 -49.8 -54.1 21.0 87.4 -16.2 140 28 B A H X S+ 0 0 9 -4,-3.0 4,-0.7 1,-0.3 -1,-0.2 0.841 109.3 51.5 -58.3 -35.9 21.9 83.7 -16.3 141 29 B Y H >X S+ 0 0 8 -4,-2.0 4,-2.1 -5,-0.2 3,-0.7 0.901 108.9 53.5 -70.3 -34.4 18.3 82.7 -16.5 142 30 B E H 3X S+ 0 0 72 -4,-2.4 4,-1.7 1,-0.2 -2,-0.2 0.911 102.5 55.2 -64.9 -45.7 18.0 85.1 -19.5 143 31 B D H 3< S+ 0 0 72 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.688 112.0 44.5 -64.7 -14.5 20.9 83.7 -21.4 144 32 B V H X< S+ 0 0 0 -3,-0.7 3,-1.6 -4,-0.7 7,-0.4 0.841 108.2 55.6 -93.8 -39.6 19.2 80.2 -21.3 145 33 B R H 3< S+ 0 0 117 -4,-2.1 -2,-0.2 1,-0.3 -3,-0.1 0.783 114.9 42.1 -60.2 -28.5 15.7 81.4 -22.1 146 34 B R T 3< S+ 0 0 178 -4,-1.7 2,-0.5 -5,-0.2 -1,-0.3 0.221 99.5 81.1-106.7 14.7 17.2 83.0 -25.2 147 35 B D <> - 0 0 44 -3,-1.6 4,-2.9 1,-0.1 5,-0.3 -0.947 66.4-151.3-123.9 112.5 19.5 80.1 -26.3 148 36 B E H > S+ 0 0 169 -2,-0.5 4,-1.4 1,-0.2 5,-0.2 0.836 92.1 48.2 -45.9 -51.8 17.8 77.2 -28.1 149 37 B T H > S+ 0 0 76 1,-0.2 4,-2.3 2,-0.2 3,-0.5 0.980 118.1 38.4 -58.0 -60.1 20.2 74.5 -27.0 150 38 B A H > S+ 0 0 0 1,-0.2 4,-4.1 2,-0.2 5,-0.2 0.863 114.2 52.9 -61.7 -39.9 20.2 75.3 -23.3 151 39 B Y H X S+ 0 0 81 -4,-2.9 4,-1.9 -7,-0.4 -1,-0.2 0.789 110.0 51.0 -69.4 -23.1 16.5 76.2 -23.1 152 40 B R H X S+ 0 0 149 -4,-1.4 4,-2.2 -3,-0.5 -2,-0.2 0.942 115.3 41.0 -73.8 -48.3 15.7 72.9 -24.7 153 41 B X H X S+ 0 0 30 -4,-2.3 4,-2.9 2,-0.2 5,-0.3 0.947 116.0 51.2 -61.2 -51.2 17.9 71.1 -22.2 154 42 B F H X S+ 0 0 13 -4,-4.1 4,-2.4 1,-0.2 5,-0.2 0.899 108.9 49.6 -55.3 -46.7 16.6 73.3 -19.3 155 43 B A H X S+ 0 0 18 -4,-1.9 4,-1.8 -5,-0.2 -1,-0.2 0.980 113.0 49.6 -56.9 -51.4 13.0 72.6 -20.2 156 44 B N H >X S+ 0 0 83 -4,-2.2 4,-2.1 1,-0.2 3,-0.7 0.945 114.3 40.0 -52.6 -61.7 13.7 68.9 -20.3 157 45 B V H 3X S+ 0 0 11 -4,-2.9 4,-2.6 1,-0.2 5,-0.3 0.901 112.1 58.7 -59.6 -37.4 15.6 68.5 -17.0 158 46 B R H 3X S+ 0 0 48 -4,-2.4 4,-0.8 -5,-0.3 -1,-0.2 0.837 109.2 44.8 -59.5 -32.9 13.1 70.9 -15.3 159 47 B D H S+ 0 0 56 -4,-2.8 5,-2.2 1,-0.2 -2,-0.2 0.807 109.4 50.3 -57.3 -34.8 5.6 61.2 -7.9 168 56 B Q H <5S+ 0 0 65 -4,-2.1 3,-0.4 3,-0.2 -1,-0.2 0.838 107.8 51.1 -75.6 -33.4 7.1 61.6 -4.4 169 57 B X H <5S+ 0 0 116 -4,-1.3 -2,-0.2 -3,-0.4 -1,-0.2 0.951 113.3 46.7 -62.8 -50.4 4.3 63.8 -3.1 170 58 B R T <5S- 0 0 159 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.501 114.1-127.9 -70.2 -2.5 1.9 61.2 -4.4 171 59 B G T 5 + 0 0 17 -3,-0.4 -3,-0.2 -5,-0.2 -4,-0.1 0.619 52.2 160.1 65.0 11.9 4.1 58.7 -2.7 172 60 B A < - 0 0 29 -5,-2.2 -1,-0.2 -6,-0.2 -75,-0.0 -0.208 46.4 -95.3 -62.8 155.1 4.4 56.7 -5.9 173 61 B A - 0 0 38 -3,-0.1 2,-0.3 1,-0.0 -1,-0.1 -0.311 31.8-158.6 -69.4 158.3 7.2 54.3 -6.5 174 62 B I - 0 0 3 -84,-0.1 -80,-0.1 -3,-0.1 -81,-0.1 -0.776 7.7-154.1-142.0 92.3 10.3 55.5 -8.3 175 63 B L > - 0 0 96 -2,-0.3 4,-1.4 1,-0.1 3,-0.2 -0.115 33.9-103.7 -62.1 164.3 12.5 52.8 -9.8 176 64 B P H > S+ 0 0 33 0, 0.0 4,-3.6 0, 0.0 5,-0.2 0.754 113.2 76.7 -61.9 -25.2 16.2 53.4 -10.4 177 65 B D H > S+ 0 0 109 2,-0.2 4,-3.2 1,-0.2 3,-0.5 0.971 98.9 40.6 -43.1 -72.8 15.5 53.9 -14.1 178 66 B E H > S+ 0 0 34 1,-0.3 4,-3.1 -3,-0.2 5,-0.3 0.925 116.7 50.1 -44.6 -55.7 14.1 57.4 -13.6 179 67 B I H X S+ 0 0 0 -4,-1.4 4,-2.1 2,-0.2 -1,-0.3 0.862 117.0 40.3 -57.6 -36.5 16.8 58.1 -11.1 180 68 B E H X S+ 0 0 83 -4,-3.6 4,-2.5 -3,-0.5 -2,-0.2 0.988 117.9 46.3 -69.9 -63.5 19.5 57.0 -13.5 181 69 B Q H X S+ 0 0 108 -4,-3.2 4,-1.5 1,-0.2 -2,-0.2 0.809 114.7 51.5 -48.0 -33.4 17.9 58.5 -16.6 182 70 B A H X S+ 0 0 3 -4,-3.1 4,-2.4 -5,-0.5 -1,-0.2 0.964 110.0 44.3 -73.7 -49.7 17.4 61.6 -14.6 183 71 B Q H X S+ 0 0 27 -4,-2.1 4,-1.6 -5,-0.3 -2,-0.2 0.780 106.0 64.0 -64.7 -25.3 20.9 62.0 -13.3 184 72 B K H X S+ 0 0 136 -4,-2.5 4,-1.7 2,-0.2 -1,-0.2 0.961 109.5 40.7 -57.8 -52.5 22.1 61.2 -16.9 185 73 B A H X S+ 0 0 13 -4,-1.5 4,-3.2 2,-0.2 5,-0.3 0.936 108.9 55.3 -61.7 -56.2 20.4 64.4 -17.9 186 74 B X H X S+ 0 0 73 -4,-2.4 4,-1.4 1,-0.3 -1,-0.2 0.839 112.6 48.9 -48.8 -31.2 21.4 66.6 -15.0 187 75 B A H X S+ 0 0 15 -4,-1.6 4,-0.6 -5,-0.2 -1,-0.3 0.868 108.0 49.9 -76.4 -39.4 24.9 65.5 -16.1 188 76 B L H >< S+ 0 0 115 -4,-1.7 3,-1.3 -3,-0.2 4,-0.4 0.932 110.5 54.1 -63.4 -42.2 24.4 66.4 -19.7 189 77 B A H >< S+ 0 0 0 -4,-3.2 3,-1.9 1,-0.3 -2,-0.2 0.867 97.6 60.0 -60.2 -40.9 23.1 69.7 -18.5 190 78 B Q H 3< S+ 0 0 39 -4,-1.4 -1,-0.3 1,-0.3 -2,-0.2 0.735 97.9 64.9 -63.1 -14.0 26.2 70.5 -16.5 191 79 B Q T << S+ 0 0 139 -3,-1.3 2,-0.9 -4,-0.6 -1,-0.3 0.711 83.9 81.5 -80.8 -18.7 28.0 70.2 -19.8 192 80 B N S <> S- 0 0 25 -3,-1.9 4,-2.6 -4,-0.4 5,-0.3 -0.780 71.4-152.2 -91.8 106.4 26.2 73.3 -21.3 193 81 B E H > S+ 0 0 174 -2,-0.9 4,-1.3 1,-0.2 5,-0.2 0.846 93.7 51.7 -42.0 -48.1 28.0 76.4 -20.0 194 82 B K H >> S+ 0 0 68 1,-0.2 4,-1.7 2,-0.2 3,-0.8 0.972 117.8 35.0 -54.8 -61.5 24.9 78.5 -20.3 195 83 B L H 3> S+ 0 0 2 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.658 111.6 63.5 -68.3 -20.6 22.7 76.1 -18.2 196 84 B A H 3X S+ 0 0 17 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.763 105.3 46.0 -74.2 -29.0 25.6 75.2 -16.0 197 85 B R H X S+ 0 0 34 -4,-2.6 3,-1.2 1,-0.2 4,-0.9 0.966 110.8 47.2 -57.9 -52.8 16.6 82.9 7.0 214 102 B Q H 3X S+ 0 0 111 -4,-2.3 4,-1.4 1,-0.3 3,-0.4 0.829 105.2 57.7 -61.1 -35.4 18.6 81.1 9.8 215 103 B I H 3< S+ 0 0 25 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.799 102.1 60.1 -66.6 -20.6 20.5 84.2 10.8 216 104 B A H << S+ 0 0 5 -3,-1.2 4,-0.4 -4,-1.0 -1,-0.2 0.866 103.0 46.6 -74.5 -35.4 17.1 85.7 11.4 217 105 B X H >X S+ 0 0 37 -4,-0.9 4,-2.2 -3,-0.4 3,-1.0 0.787 90.2 94.7 -74.2 -24.6 16.0 83.1 14.0 218 106 B K H 3X S+ 0 0 78 -4,-1.4 4,-1.7 1,-0.3 -1,-0.2 0.765 82.3 46.4 -36.1 -48.1 19.4 83.6 15.6 219 107 B P H 3> S+ 0 0 2 0, 0.0 4,-1.7 0, 0.0 -1,-0.3 0.887 115.9 43.2 -70.6 -37.1 18.3 86.3 18.1 220 108 B L H <> S+ 0 0 12 -3,-1.0 4,-2.7 -4,-0.4 3,-0.4 0.985 116.5 45.7 -70.7 -55.7 15.2 84.5 19.3 221 109 B E H X S+ 0 0 51 -4,-2.2 4,-1.2 1,-0.2 5,-0.2 0.863 112.1 54.7 -53.0 -39.3 16.9 81.0 19.6 222 110 B E H X S+ 0 0 50 -4,-1.7 4,-1.6 -5,-0.4 5,-0.4 0.912 111.1 43.5 -60.3 -45.6 19.8 82.7 21.3 223 111 B L H X S+ 0 0 12 -4,-1.7 4,-1.8 -3,-0.4 5,-0.3 0.934 110.9 54.1 -67.2 -46.6 17.5 84.2 23.9 224 112 B H H < S+ 0 0 98 -4,-2.7 -1,-0.2 2,-0.2 -2,-0.2 0.723 121.6 31.8 -61.3 -23.0 15.5 81.1 24.4 225 113 B R H >< S+ 0 0 139 -4,-1.2 3,-0.7 -5,-0.3 -2,-0.2 0.848 125.9 31.8 -96.7 -75.2 18.7 79.2 25.1 226 114 B S H 3< S+ 0 0 100 -4,-1.6 -3,-0.2 -5,-0.2 -2,-0.2 0.589 95.5 84.6 -64.7 -13.5 21.3 81.4 26.8 227 115 B F T 3< 0 0 28 -4,-1.8 -1,-0.2 -5,-0.4 -3,-0.1 0.880 360.0 360.0 -65.6 -37.4 19.1 83.8 28.8 228 116 B X < 0 0 54 -3,-0.7 -2,-0.1 -5,-0.3 -3,-0.1 0.880 360.0 360.0 -93.6 360.0 18.6 81.7 32.0 229 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 230 2 C S 0 0 152 0, 0.0 3,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 127.2 5.2 46.4 -6.3 231 3 C E > - 0 0 32 1,-0.2 4,-1.9 2,-0.0 3,-0.4 -0.526 360.0-132.0 -66.7 119.1 8.4 47.8 -4.8 232 4 C P H > S+ 0 0 59 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.850 103.7 50.9 -40.8 -47.0 9.2 45.7 -1.7 233 5 C L H > S+ 0 0 1 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.934 106.2 53.6 -62.1 -46.4 9.7 48.6 0.5 234 6 C H H > S+ 0 0 24 -3,-0.4 4,-2.3 1,-0.2 5,-0.2 0.931 111.5 46.9 -50.8 -50.7 6.4 50.3 -0.4 235 7 C A H X S+ 0 0 43 -4,-1.9 4,-2.5 1,-0.2 -1,-0.2 0.924 109.0 53.0 -59.7 -46.0 4.6 47.1 0.4 236 8 C L H X S+ 0 0 57 -4,-2.6 4,-2.6 -5,-0.3 -1,-0.2 0.900 110.6 49.9 -57.1 -38.5 6.4 46.7 3.7 237 9 C A H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.3 -1,-0.2 0.867 107.5 50.1 -68.1 -40.4 5.4 50.3 4.5 238 10 C R H X S+ 0 0 111 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.902 111.1 53.2 -64.7 -35.0 1.7 49.8 3.7 239 11 C Q H X S+ 0 0 130 -4,-2.5 4,-2.0 -5,-0.2 -2,-0.3 0.964 106.9 50.6 -59.8 -52.0 2.0 46.8 5.9 240 12 C L H X S+ 0 0 11 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.901 108.0 54.5 -53.2 -43.8 3.4 49.0 8.7 241 13 C E H X S+ 0 0 20 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.972 108.2 46.4 -54.6 -60.7 0.5 51.3 8.2 242 14 C Q H X S+ 0 0 91 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.815 110.0 54.4 -53.8 -34.4 -2.1 48.7 8.7 243 15 C A H X S+ 0 0 29 -4,-2.0 4,-1.6 2,-0.2 -1,-0.2 0.939 108.5 48.7 -67.7 -44.9 -0.4 47.3 11.8 244 16 C I H < S+ 0 0 1 -4,-2.3 3,-0.4 2,-0.2 6,-0.4 0.946 111.0 51.2 -58.8 -47.3 -0.4 50.7 13.4 245 17 C R H < S+ 0 0 83 -4,-2.5 6,-0.2 1,-0.3 -2,-0.2 0.948 114.3 42.1 -54.9 -50.3 -4.1 51.1 12.6 246 18 C A H < S+ 0 0 78 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.698 94.8 108.9 -72.7 -15.3 -4.9 47.8 14.2 247 19 C S S X S- 0 0 18 -4,-1.6 4,-1.4 -3,-0.4 5,-0.1 0.009 79.4-115.2 -56.1 169.2 -2.6 48.4 17.1 248 20 C E H > S+ 0 0 134 1,-0.2 4,-2.6 2,-0.2 5,-0.1 0.932 109.7 53.8 -75.3 -45.8 -4.0 49.1 20.6 249 21 C P H > S+ 0 0 26 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.770 107.0 52.7 -60.5 -27.4 -2.7 52.7 21.0 250 22 C F H > S+ 0 0 0 -6,-0.4 4,-3.9 2,-0.2 5,-0.2 0.973 111.2 45.9 -71.2 -53.1 -4.3 53.8 17.8 251 23 C Q H X S+ 0 0 70 -4,-1.4 4,-2.9 2,-0.2 5,-0.3 0.852 109.0 55.5 -55.8 -37.1 -7.6 52.4 18.9 252 24 C Q H X S+ 0 0 50 -4,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.990 114.1 42.2 -57.6 -52.5 -7.1 54.1 22.3 253 25 C L H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.941 112.0 52.2 -56.7 -54.0 -6.7 57.3 20.2 254 26 C K H X S+ 0 0 48 -4,-3.9 4,-2.3 1,-0.2 -1,-0.2 0.936 114.1 44.2 -51.0 -48.1 -9.5 56.6 17.9 255 27 C R H X S+ 0 0 126 -4,-2.9 4,-1.8 2,-0.2 -1,-0.2 0.862 107.9 58.6 -66.2 -32.5 -11.8 56.0 20.9 256 28 C A H X S+ 0 0 2 -4,-2.6 4,-1.6 -5,-0.3 3,-0.3 0.951 108.4 45.9 -60.3 -46.7 -10.4 59.1 22.6 257 29 C Y H X S+ 0 0 10 -4,-2.5 4,-1.5 1,-0.2 5,-0.2 0.954 106.4 59.5 -56.5 -52.1 -11.6 61.1 19.6 258 30 C E H X S+ 0 0 76 -4,-2.3 4,-1.0 -5,-0.2 -1,-0.2 0.844 107.3 49.7 -44.2 -41.9 -15.0 59.3 19.7 259 31 C D H >X S+ 0 0 56 -4,-1.8 3,-2.6 -3,-0.3 4,-1.2 0.999 110.5 42.4 -61.4 -76.4 -15.4 60.6 23.2 260 32 C V H 3< S+ 0 0 0 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.638 114.6 58.5 -49.4 -12.2 -14.7 64.3 22.9 261 33 C R H 3< S+ 0 0 126 -4,-1.5 -1,-0.3 -5,-0.3 -2,-0.2 0.756 109.6 39.0 -90.9 -24.8 -16.7 64.0 19.7 262 34 C R H << S+ 0 0 168 -3,-2.6 2,-0.9 -4,-1.0 -2,-0.2 0.413 95.7 87.4-103.8 -1.6 -19.9 62.8 21.4 263 35 C D X - 0 0 36 -4,-1.2 4,-2.7 1,-0.2 5,-0.3 -0.865 67.9-154.1 -99.0 103.3 -19.7 65.0 24.5 264 36 C E H > S+ 0 0 157 -2,-0.9 4,-1.3 1,-0.2 -1,-0.2 0.820 92.4 50.9 -46.9 -33.3 -21.4 68.2 23.5 265 37 C T H > S+ 0 0 89 2,-0.2 4,-1.5 1,-0.2 3,-0.3 0.982 114.5 37.2 -69.4 -60.4 -19.3 70.0 26.1 266 38 C A H > S+ 0 0 0 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 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-7.1 62.4 27.4 314 86 C L H 3X S+ 0 0 4 -4,-2.4 4,-3.3 1,-0.3 5,-0.3 0.972 109.8 55.0 -54.2 -63.0 -7.4 63.0 23.7 315 87 C X H 3X S+ 0 0 29 -4,-3.8 4,-0.8 2,-0.2 -1,-0.3 0.739 116.1 41.8 -44.1 -27.3 -4.8 65.9 23.6 316 88 C A H XX S+ 0 0 4 -4,-2.4 4,-2.5 -3,-0.7 3,-1.7 0.942 113.0 45.2 -87.8 -70.5 -2.4 63.5 25.2 317 89 C L H 3X S+ 0 0 25 -4,-2.3 4,-3.1 1,-0.3 5,-0.3 0.894 113.8 57.6 -34.7 -48.8 -2.9 60.2 23.4 318 90 C E H 3X S+ 0 0 40 -4,-3.3 4,-1.3 -5,-0.4 -1,-0.3 0.877 110.4 40.3 -50.6 -45.6 -2.9 62.4 20.3 319 91 C Q H X S+ 0 0 24 -4,-2.5 4,-3.0 2,-0.2 3,-1.2 0.957 107.0 55.2 -64.8 -45.9 2.2 60.6 22.3 321 93 C X H 3X S+ 0 0 2 -4,-3.1 4,-2.8 -5,-0.3 -1,-0.2 0.901 107.3 52.5 -49.7 -45.8 1.0 58.8 19.1 322 94 C S H 3X S+ 0 0 31 -4,-1.3 4,-1.6 -5,-0.3 -1,-0.3 0.715 110.9 44.0 -66.1 -27.2 2.7 61.4 17.1 323 95 C I H X S+ 0 0 0 -4,-2.8 4,-2.6 1,-0.2 3,-0.8 0.941 108.3 55.3 -52.6 -53.2 5.3 57.5 15.0 326 98 C A H 3X S+ 0 0 25 -4,-1.6 4,-1.4 1,-0.3 -1,-0.2 0.906 109.6 50.8 -46.7 -42.5 8.1 60.1 14.5 327 99 C E H 3X S+ 0 0 3 -4,-2.2 4,-1.5 -3,-0.2 -1,-0.3 0.822 107.0 52.5 -64.0 -36.0 10.2 57.5 16.3 328 100 C V H < S+ 0 0 74 -4,-1.4 3,-0.5 -5,-0.3 4,-0.4 0.888 104.8 49.7 -67.6 -38.1 13.4 57.4 12.5 331 103 C I H >< S+ 0 0 14 -4,-1.5 3,-1.9 -3,-0.4 -2,-0.2 0.911 103.1 60.1 -68.4 -37.1 14.1 53.7 12.7 332 104 C A H 3< S+ 0 0 1 -4,-2.0 4,-0.4 1,-0.3 -1,-0.3 0.793 102.8 55.2 -59.7 -24.4 13.1 53.3 9.1 333 105 C X T S+ 0 0 79 -3,-1.9 4,-4.6 -4,-0.4 5,-0.4 0.961 81.6 55.5 -61.9 -54.7 18.7 53.7 10.2 335 107 C P H > S+ 0 0 2 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.903 119.5 35.6 -44.8 -45.0 19.8 51.3 7.5 336 108 C L H > S+ 0 0 2 -4,-0.4 4,-2.3 2,-0.2 -2,-0.2 0.800 117.2 52.9 -77.8 -30.9 20.4 54.3 5.2 337 109 C E H X S+ 0 0 106 -4,-2.3 4,-1.6 2,-0.2 -3,-0.2 0.897 110.5 49.2 -67.5 -42.1 21.7 56.4 8.1 338 110 C E H X S+ 0 0 76 -4,-4.6 4,-1.3 2,-0.2 -2,-0.2 0.901 113.4 45.1 -65.1 -43.8 24.1 53.6 9.0 339 111 C L H X S+ 0 0 13 -4,-1.7 4,-1.5 -5,-0.4 -2,-0.2 0.893 107.1 58.5 -68.1 -40.5 25.3 53.3 5.4 340 112 C H H < S+ 0 0 58 -4,-2.3 3,-0.3 1,-0.2 4,-0.3 0.888 103.3 55.0 -54.7 -40.1 25.6 57.1 5.0 341 113 C R H >< S+ 0 0 187 -4,-1.6 3,-2.3 1,-0.2 -1,-0.2 0.916 102.7 54.6 -58.8 -45.6 28.0 56.9 8.0 342 114 C S H >< S+ 0 0 49 -4,-1.3 3,-3.0 1,-0.3 4,-0.3 0.795 91.2 72.5 -61.3 -28.4 30.2 54.4 6.2 343 115 C F T 3< S+ 0 0 19 -4,-1.5 -1,-0.3 -3,-0.3 -2,-0.2 0.748 88.1 65.7 -59.0 -17.7 30.5 56.8 3.2 344 116 C X T < S+ 0 0 89 -3,-2.3 -1,-0.3 -4,-0.3 -2,-0.2 0.409 79.1 92.7 -82.5 2.6 32.7 58.7 5.7 345 117 C E < 0 0 112 -3,-3.0 -1,-0.2 -4,-0.0 -2,-0.1 0.990 360.0 360.0 -58.3 -70.9 35.2 55.8 5.6 346 118 C G 0 0 64 -4,-0.3 -308,-0.0 -3,-0.2 -3,-0.0 0.774 360.0 360.0 27.1 360.0 37.5 56.8 2.8 347 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 348 1 D X 0 0 204 0, 0.0 6,-0.1 0, 0.0 -290,-0.0 0.000 360.0 360.0 360.0 -27.3 33.6 88.4 3.7 349 2 D S + 0 0 111 4,-0.0 5,-0.1 5,-0.0 0, 0.0 0.780 360.0 125.3 -95.5 -27.0 32.2 90.5 0.9 350 3 D E > - 0 0 30 1,-0.1 4,-1.4 3,-0.1 5,-0.1 -0.014 52.7-147.0 -34.0 130.7 28.9 88.7 -0.1 351 4 D P H > S+ 0 0 58 0, 0.0 4,-3.1 0, 0.0 5,-0.2 0.853 93.7 55.9 -74.0 -40.1 26.2 91.4 0.2 352 5 D L H > S+ 0 0 2 2,-0.2 4,-2.5 1,-0.2 5,-0.1 0.879 106.0 53.9 -62.8 -36.6 23.4 89.1 1.3 353 6 D H H > S+ 0 0 46 2,-0.2 4,-2.3 1,-0.2 3,-0.3 0.982 111.6 42.5 -59.1 -59.9 25.5 88.0 4.1 354 7 D A H X S+ 0 0 32 -4,-1.4 4,-2.4 1,-0.3 -2,-0.2 0.875 112.1 55.8 -53.3 -42.8 26.1 91.6 5.3 355 8 D L H X S+ 0 0 53 -4,-3.1 4,-2.1 1,-0.2 -1,-0.3 0.913 106.5 50.8 -58.3 -42.2 22.5 92.3 4.7 356 9 D A H X S+ 0 0 1 -4,-2.5 4,-2.9 -3,-0.3 -2,-0.2 0.945 106.1 53.4 -60.5 -50.2 21.6 89.4 7.0 357 10 D R H X S+ 0 0 135 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.923 108.5 52.6 -50.9 -44.8 23.9 90.6 9.8 358 11 D Q H X S+ 0 0 131 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.942 108.5 49.3 -56.7 -47.5 22.0 93.9 9.5 359 12 D L H X S+ 0 0 13 -4,-2.1 4,-2.8 2,-0.2 5,-0.4 0.935 105.1 57.5 -58.9 -48.6 18.7 92.2 9.9 360 13 D E H X S+ 0 0 29 -4,-2.9 4,-2.9 1,-0.3 -1,-0.2 0.945 111.3 43.0 -46.4 -54.1 19.9 90.2 12.9 361 14 D Q H X S+ 0 0 106 -4,-2.1 4,-2.5 1,-0.2 -1,-0.3 0.820 111.2 55.8 -63.5 -31.8 20.6 93.5 14.6 362 15 D A H X S+ 0 0 25 -4,-2.1 4,-1.6 2,-0.2 -2,-0.2 0.967 111.9 40.9 -66.4 -51.2 17.4 95.1 13.4 363 16 D I H >< S+ 0 0 3 -4,-2.8 3,-0.8 1,-0.2 6,-0.3 0.956 113.8 56.2 -58.5 -50.1 15.2 92.4 14.9 364 17 D R H 3< S+ 0 0 58 -4,-2.9 -1,-0.2 -5,-0.4 -2,-0.2 0.897 115.6 35.3 -51.6 -43.0 17.4 92.4 18.0 365 18 D A H 3< S+ 0 0 72 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.602 92.3 118.1 -92.1 -5.2 16.9 96.1 18.5 366 19 D S S XX S- 0 0 17 -4,-1.6 4,-1.7 -3,-0.8 3,-0.6 -0.127 75.1-113.3 -57.2 155.6 13.3 96.3 17.4 367 20 D E H 3> S+ 0 0 137 1,-0.2 4,-1.3 2,-0.2 -1,-0.1 0.881 114.1 51.1 -58.3 -45.3 10.5 97.3 19.8 368 21 D P H 3> S+ 0 0 27 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.781 107.1 53.9 -68.8 -21.8 8.8 94.0 19.9 369 22 D F H <> S+ 0 0 2 -3,-0.6 4,-2.6 -6,-0.3 5,-0.2 0.907 105.7 52.5 -76.1 -41.1 12.0 92.1 20.7 370 23 D Q H X S+ 0 0 69 -4,-1.7 4,-1.9 1,-0.2 -1,-0.2 0.828 106.4 54.7 -62.9 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D I H X S+ 0 0 3 -4,-0.9 4,-0.6 1,-0.2 -2,-0.2 0.647 112.0 62.0 -64.2 -8.6 3.9 63.0 27.9 415 68 D E H >X S+ 0 0 85 -4,-1.6 3,-0.9 -5,-0.3 4,-0.6 0.977 109.5 31.5 -77.8 -69.7 1.1 63.2 30.5 416 69 D Q H >> S+ 0 0 87 -5,-0.4 3,-4.1 1,-0.3 4,-3.5 0.942 113.6 61.5 -53.7 -53.4 2.7 65.2 33.2 417 70 D A H 3X S+ 0 0 12 -4,-2.5 4,-1.9 1,-0.3 -1,-0.3 0.874 104.5 51.8 -40.3 -39.6 4.7 67.2 30.7 418 71 D Q H << S+ 0 0 15 -3,-0.9 -1,-0.3 -4,-0.6 -2,-0.2 0.643 114.1 42.8 -73.6 -14.2 1.3 68.3 29.4 419 72 D K H XX S+ 0 0 133 -3,-4.1 3,-2.1 -4,-0.6 4,-1.1 0.860 106.3 61.0 -89.6 -55.6 0.4 69.2 33.0 420 73 D A H 3< S+ 0 0 21 -4,-3.5 -2,-0.2 1,-0.3 -28,-0.2 0.851 107.1 46.6 -35.6 -49.6 3.8 70.9 33.6 421 74 D X T >X S+ 0 0 57 -4,-1.9 4,-2.5 -5,-0.3 3,-0.9 0.801 107.2 64.9 -65.6 -30.7 2.9 73.2 30.8 422 75 D A H X> S+ 0 0 28 -3,-2.1 4,-1.1 1,-0.2 3,-0.7 0.991 102.2 38.4 -59.8 -72.4 -0.5 73.6 32.4 423 76 D L H 3< S+ 0 0 126 -4,-1.1 4,-0.3 1,-0.3 -1,-0.2 0.205 119.6 54.6 -71.8 27.0 0.2 75.3 35.8 424 77 D A H <4 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