==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION/DNA 09-SEP-10 3OSG . COMPND 2 MOLECULE: MYB21; . SOURCE 2 ORGANISM_SCIENTIFIC: TRICHOMONAS VAGINALIS; . AUTHOR I.JIANG,C.K.TSAI,S.C.CHEN,S.H.WANG,I.AMIRASLANOV,C.F.CHANG,W . 213 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14265.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 147 69.0 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 . 2 0.9 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 . 10 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 23 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 102 47.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.8 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 2 1 0 0 0 0 2 0 1 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 . 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 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 40 A V 0 0 43 0, 0.0 7,-0.3 0, 0.0 9,-0.1 0.000 360.0 360.0 360.0-153.0 1.7 -10.8 10.8 2 41 A Q + 0 0 60 129,-0.7 6,-2.6 10,-0.2 2,-0.5 0.365 360.0 41.8 -30.6 -59.4 1.4 -14.4 9.8 3 42 A V B A 7 0A 34 127,-2.7 4,-0.3 126,-0.3 130,-0.1 -0.837 360.0 360.0-123.2 122.4 4.3 -16.6 11.1 4 43 A N 0 0 145 2,-3.4 4,-0.1 -2,-0.5 3,-0.1 0.527 360.0 360.0 107.9 360.0 6.2 -16.8 14.4 5 ! 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 6 45 A K 0 0 153 0, 0.0 -2,-3.4 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 -54.7 4.1 -21.1 14.6 7 46 A A B -A 3 0A 59 -4,-0.3 -4,-0.3 -3,-0.1 -5,-0.1 -0.608 360.0-104.5 -66.6 127.9 1.4 -18.7 13.5 8 47 A A - 0 0 16 -6,-2.6 -1,-0.1 -2,-0.4 3,-0.1 -0.236 17.8-140.0 -54.5 141.6 2.1 -15.3 15.3 9 48 A K S S+ 0 0 207 1,-0.2 2,-0.4 -5,-0.1 -1,-0.2 0.482 95.9 55.2 -86.1 -3.5 -0.3 -14.7 18.2 10 49 A K S S- 0 0 166 -9,-0.1 2,-0.8 -8,-0.1 -1,-0.2 -0.952 74.2-163.9-124.2 111.9 -0.5 -11.1 17.1 11 50 A Q - 0 0 53 -2,-0.4 2,-0.2 -3,-0.1 -9,-0.0 -0.842 14.6-155.0 -94.6 103.6 -1.5 -10.7 13.5 12 51 A K - 0 0 144 -2,-0.8 2,-0.2 1,-0.1 -10,-0.2 -0.548 20.5-109.9 -78.0 141.0 -0.5 -7.1 12.5 13 52 A F - 0 0 30 -2,-0.2 -1,-0.1 -12,-0.1 0, 0.0 -0.528 32.7-136.3 -66.3 133.3 -2.3 -5.3 9.7 14 53 A T > - 0 0 20 -2,-0.2 4,-2.2 1,-0.1 5,-0.2 -0.427 24.4-107.2 -81.6 165.4 -0.1 -4.8 6.7 15 54 A P H > S+ 0 0 93 0, 0.0 4,-1.9 0, 0.0 -1,-0.1 0.852 123.2 52.1 -62.1 -32.7 0.0 -1.5 4.8 16 55 A E H > S+ 0 0 130 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.919 108.0 48.2 -69.3 -46.4 -1.9 -3.3 2.0 17 56 A E H > S+ 0 0 31 2,-0.2 4,-3.1 1,-0.2 -1,-0.2 0.867 109.5 55.0 -60.7 -37.4 -4.7 -4.5 4.3 18 57 A D H X S+ 0 0 18 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.936 109.3 46.3 -60.0 -46.7 -4.9 -1.0 5.8 19 58 A E H X S+ 0 0 83 -4,-1.9 4,-1.9 1,-0.2 -2,-0.2 0.962 113.0 50.0 -59.5 -54.4 -5.5 0.3 2.2 20 59 A M H X S+ 0 0 66 -4,-2.9 4,-2.6 1,-0.2 -2,-0.2 0.918 110.8 50.1 -42.0 -53.5 -8.0 -2.5 1.6 21 60 A L H X S+ 0 0 0 -4,-3.1 4,-2.2 1,-0.2 -1,-0.2 0.904 106.9 53.2 -61.8 -44.4 -9.8 -1.6 4.9 22 61 A K H X S+ 0 0 80 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.874 111.7 47.2 -57.2 -39.0 -10.0 2.1 4.1 23 62 A R H X S+ 0 0 147 -4,-1.9 4,-1.6 2,-0.2 -2,-0.2 0.931 109.3 52.7 -66.7 -47.9 -11.6 1.2 0.8 24 63 A A H X S+ 0 0 7 -4,-2.6 4,-3.0 1,-0.2 5,-0.2 0.847 109.9 49.2 -57.9 -36.6 -14.1 -1.2 2.4 25 64 A V H X S+ 0 0 19 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.906 108.3 51.5 -72.3 -41.7 -15.2 1.4 4.8 26 65 A A H < S+ 0 0 93 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.809 120.1 38.9 -58.8 -28.8 -15.7 4.0 2.1 27 66 A Q H < S+ 0 0 140 -4,-1.6 -2,-0.2 2,-0.1 -1,-0.2 0.827 132.6 19.9 -94.4 -37.2 -17.8 1.4 0.4 28 67 A H H >< S- 0 0 64 -4,-3.0 3,-0.7 1,-0.3 -3,-0.2 0.405 86.1-149.8-116.1 0.2 -19.7 -0.3 3.2 29 68 A G T 3< - 0 0 34 -4,-2.5 2,-0.3 -5,-0.2 -1,-0.3 -0.370 69.7 -19.8 60.3-141.9 -19.5 2.3 6.0 30 69 A S T 3 S+ 0 0 93 -4,-0.1 2,-1.2 1,-0.1 -1,-0.2 -0.172 91.8 126.5 -96.2 40.0 -19.5 0.7 9.5 31 70 A D <> + 0 0 75 -3,-0.7 4,-2.6 -2,-0.3 3,-0.2 -0.751 35.6 178.9 -94.4 86.3 -20.9 -2.7 8.5 32 71 A W H > S+ 0 0 36 -2,-1.2 4,-2.9 1,-0.2 -1,-0.2 0.801 71.1 53.7 -71.0 -31.0 -18.1 -4.7 10.0 33 72 A K H > S+ 0 0 175 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.908 113.1 42.7 -67.3 -44.0 -19.3 -8.2 9.2 34 73 A M H > S+ 0 0 93 2,-0.2 4,-0.7 1,-0.2 3,-0.4 0.936 115.2 51.6 -66.9 -44.2 -19.7 -7.4 5.6 35 74 A I H >< S+ 0 0 0 -4,-2.6 3,-1.6 1,-0.2 -2,-0.2 0.955 109.9 48.2 -55.7 -49.9 -16.3 -5.6 5.6 36 75 A A H >< S+ 0 0 8 -4,-2.9 3,-1.7 1,-0.3 6,-0.4 0.735 96.7 72.0 -67.8 -22.9 -14.6 -8.5 7.3 37 76 A A H 3< S+ 0 0 79 -4,-1.3 -1,-0.3 -3,-0.4 -2,-0.2 0.812 93.8 55.9 -59.8 -27.1 -16.0 -11.0 4.8 38 77 A T T << S+ 0 0 63 -3,-1.6 -1,-0.3 -4,-0.7 -2,-0.2 0.523 96.4 73.5 -86.2 -3.2 -13.7 -9.5 2.2 39 78 A F X - 0 0 6 -3,-1.7 3,-1.6 3,-0.3 -1,-0.1 -0.928 68.3-159.5-111.9 108.3 -10.6 -10.2 4.4 40 79 A P T 3 S+ 0 0 121 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.815 92.3 33.8 -60.4 -30.6 -9.8 -14.0 4.4 41 80 A N T 3 S+ 0 0 104 2,-0.1 2,-0.4 0, 0.0 -5,-0.0 0.187 106.9 80.8-110.2 17.2 -7.8 -13.8 7.7 42 81 A R < - 0 0 16 -3,-1.6 -3,-0.3 -6,-0.4 2,-0.2 -0.960 56.7-154.3-128.7 141.9 -9.8 -11.0 9.5 43 82 A N > - 0 0 82 -2,-0.4 4,-1.9 1,-0.1 5,-0.2 -0.476 39.4 -95.7-101.4-180.0 -12.9 -10.9 11.6 44 83 A A H > S+ 0 0 23 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.897 122.1 53.5 -63.1 -42.4 -15.3 -8.0 12.3 45 84 A R H > S+ 0 0 151 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.901 107.9 50.1 -59.2 -45.6 -13.7 -7.1 15.6 46 85 A Q H > S+ 0 0 54 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.913 112.7 45.9 -62.6 -42.7 -10.2 -6.9 14.0 47 86 A C H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 5,-0.2 0.923 113.0 49.7 -68.1 -42.6 -11.4 -4.6 11.2 48 87 A R H X S+ 0 0 98 -4,-2.6 4,-2.9 1,-0.2 5,-0.3 0.938 112.6 47.2 -61.3 -45.5 -13.4 -2.4 13.6 49 88 A D H X S+ 0 0 51 -4,-2.5 4,-2.4 2,-0.2 5,-0.3 0.921 111.5 50.0 -63.5 -45.9 -10.5 -2.0 16.0 50 89 A R H X>S+ 0 0 62 -4,-2.1 4,-1.7 -5,-0.2 5,-1.6 0.941 116.4 42.1 -59.3 -46.7 -8.0 -1.2 13.2 51 90 A W H X>S+ 0 0 58 -4,-2.4 5,-2.8 3,-0.2 4,-0.5 0.973 116.5 45.9 -64.1 -52.7 -10.2 1.4 11.7 52 91 A K H <5S+ 0 0 108 -4,-2.9 -2,-0.2 -5,-0.2 -1,-0.2 0.861 125.4 29.1 -62.7 -37.8 -11.4 3.1 14.9 53 92 A N H <5S+ 0 0 10 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.597 136.9 12.5-101.7 -14.3 -7.9 3.3 16.6 54 93 A Y H <5S+ 0 0 79 -4,-1.7 -3,-0.2 -5,-0.3 -2,-0.1 0.692 123.7 36.4-133.0 -34.1 -5.6 3.6 13.6 55 94 A L T < - 0 0 53 -2,-0.2 4,-2.2 -3,-0.1 5,-0.1 -0.509 20.4-113.1 -91.8 161.1 3.6 16.2 23.1 66 105 A A H > S+ 0 0 71 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.815 119.1 56.5 -65.7 -27.8 4.8 17.2 26.6 67 106 A E H > S+ 0 0 142 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.917 106.9 49.0 -67.5 -42.7 1.6 19.2 26.9 68 107 A E H > S+ 0 0 32 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.911 110.1 51.1 -61.8 -44.1 -0.5 16.1 26.2 69 108 A D H X S+ 0 0 30 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.937 109.9 49.8 -57.3 -46.7 1.5 14.0 28.7 70 109 A A H X S+ 0 0 55 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.916 109.3 51.6 -62.0 -44.8 0.9 16.7 31.4 71 110 A L H X S+ 0 0 53 -4,-2.5 4,-3.4 1,-0.2 5,-0.3 0.926 107.5 54.6 -54.9 -43.9 -2.8 16.7 30.6 72 111 A L H X S+ 0 0 0 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.890 106.2 49.3 -61.6 -41.5 -2.8 12.9 31.0 73 112 A V H X S+ 0 0 43 -4,-2.0 4,-1.3 2,-0.2 -1,-0.2 0.923 115.2 45.7 -65.4 -39.6 -1.3 12.9 34.5 74 113 A Q H X S+ 0 0 104 -4,-2.0 4,-2.1 1,-0.2 3,-0.4 0.947 112.1 49.5 -66.5 -48.5 -3.8 15.6 35.5 75 114 A K H X S+ 0 0 24 -4,-3.4 4,-3.1 1,-0.2 5,-0.3 0.817 109.4 52.5 -63.1 -29.1 -6.8 13.8 34.0 76 115 A I H X S+ 0 0 23 -4,-1.9 4,-1.4 -5,-0.3 -1,-0.2 0.790 107.2 51.6 -77.7 -28.5 -5.8 10.5 35.6 77 116 A Q H < S+ 0 0 168 -4,-1.3 -2,-0.2 -3,-0.4 -1,-0.2 0.874 116.9 42.9 -67.1 -37.2 -5.7 12.2 39.0 78 117 A E H < S+ 0 0 106 -4,-2.1 -2,-0.2 -5,-0.1 -3,-0.2 0.939 132.5 15.0 -72.9 -48.0 -9.2 13.5 38.2 79 118 A Y H < S- 0 0 70 -4,-3.1 -3,-0.2 1,-0.3 -2,-0.1 0.554 87.3-144.6-110.8 -12.5 -10.8 10.4 36.7 80 119 A G < - 0 0 30 -4,-1.4 2,-1.6 -5,-0.3 -1,-0.3 -0.389 69.0 -16.7 72.2-156.5 -8.7 7.4 37.6 81 120 A R S S+ 0 0 176 1,-0.1 2,-1.2 -2,-0.1 -1,-0.2 -0.111 91.3 125.9 -80.5 42.5 -8.4 4.6 35.1 82 121 A Q > + 0 0 99 -2,-1.6 4,-2.4 1,-0.2 3,-0.3 -0.686 32.0 173.3 -98.8 80.0 -11.4 5.6 33.0 83 122 A W H > + 0 0 32 -2,-1.2 4,-2.4 1,-0.2 -1,-0.2 0.829 69.9 53.8 -65.7 -38.4 -9.6 5.7 29.7 84 123 A A H > S+ 0 0 63 2,-0.2 4,-0.6 1,-0.2 -1,-0.2 0.869 112.0 45.9 -64.5 -39.8 -12.6 6.3 27.4 85 124 A I H >4 S+ 0 0 66 -3,-0.3 3,-1.4 1,-0.2 4,-0.5 0.959 113.7 49.1 -62.7 -50.9 -13.7 9.3 29.5 86 125 A I H >< S+ 0 0 0 -4,-2.4 3,-1.5 1,-0.3 -2,-0.2 0.847 102.5 61.4 -59.0 -36.9 -10.1 10.7 29.6 87 126 A A H >< S+ 0 0 11 -4,-2.4 3,-1.8 1,-0.3 6,-0.3 0.697 86.6 75.9 -67.5 -19.3 -9.7 10.2 25.8 88 127 A K T << S+ 0 0 175 -3,-1.4 -1,-0.3 -4,-0.6 -2,-0.2 0.890 93.2 53.0 -54.1 -39.2 -12.5 12.7 25.3 89 128 A F T < S+ 0 0 80 -3,-1.5 -1,-0.3 -4,-0.5 -2,-0.2 0.413 98.4 73.0 -79.9 3.5 -10.0 15.4 26.3 90 129 A F S X S- 0 0 5 -3,-1.8 3,-2.3 3,-0.2 -1,-0.2 -0.784 74.5-149.6-124.3 87.9 -7.5 14.2 23.6 91 130 A P T 3 S+ 0 0 119 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.361 86.6 16.9 -55.3 120.7 -8.5 15.1 20.1 92 131 A G T 3 S+ 0 0 17 1,-0.3 -32,-2.8 -2,-0.2 2,-0.3 0.423 108.9 93.7 97.6 -0.5 -7.1 12.4 17.8 93 132 A R < - 0 0 20 -3,-2.3 -1,-0.3 -6,-0.3 -3,-0.2 -0.947 56.2-157.0-123.7 146.8 -6.4 9.9 20.5 94 133 A T > - 0 0 15 -2,-0.3 4,-2.4 -41,-0.2 3,-0.3 -0.639 40.3 -92.0-115.1 175.6 -8.6 7.0 21.7 95 134 A D H > S+ 0 0 51 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.811 124.8 60.1 -56.7 -31.9 -8.8 5.1 24.9 96 135 A I H > S+ 0 0 42 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.952 109.2 42.1 -60.1 -49.9 -6.3 2.5 23.4 97 136 A H H > S+ 0 0 26 -3,-0.3 4,-2.4 1,-0.2 -2,-0.2 0.903 113.1 53.4 -64.9 -42.9 -3.7 5.2 23.0 98 137 A I H X S+ 0 0 0 -4,-2.4 4,-1.6 1,-0.2 -2,-0.2 0.928 110.1 45.9 -60.2 -46.6 -4.4 6.8 26.4 99 138 A K H X S+ 0 0 86 -4,-2.5 4,-1.1 1,-0.2 -1,-0.2 0.874 112.7 50.3 -70.9 -32.6 -3.9 3.5 28.3 100 139 A N H X S+ 0 0 86 -4,-1.9 4,-1.4 -5,-0.2 3,-0.4 0.918 110.1 51.8 -62.3 -42.5 -0.7 2.6 26.4 101 140 A R H X S+ 0 0 47 -4,-2.4 4,-3.0 1,-0.2 -2,-0.2 0.797 100.3 61.6 -68.1 -28.6 0.7 6.1 27.1 102 141 A W H X S+ 0 0 46 -4,-1.6 4,-3.1 2,-0.2 -1,-0.2 0.879 101.5 53.4 -65.0 -36.9 -0.0 5.7 30.8 103 142 A V H X S+ 0 0 82 -4,-1.1 4,-1.0 -3,-0.4 -1,-0.2 0.943 112.9 43.4 -58.4 -47.4 2.4 2.8 30.9 104 143 A T H X S+ 0 0 56 -4,-1.4 4,-1.6 1,-0.2 3,-0.4 0.920 116.4 46.6 -69.7 -43.5 5.1 4.9 29.3 105 144 A I H X S+ 0 0 8 -4,-3.0 4,-2.0 1,-0.2 -2,-0.2 0.923 107.0 56.6 -63.2 -45.1 4.4 7.9 31.5 106 145 A S H <>S+ 0 0 16 -4,-3.1 5,-2.4 1,-0.2 -1,-0.2 0.772 105.6 54.5 -60.5 -23.7 4.2 5.9 34.7 107 146 A N H ><5S+ 0 0 118 -4,-1.0 3,-1.2 -3,-0.4 -1,-0.2 0.911 106.3 49.0 -73.0 -46.5 7.8 4.7 33.8 108 147 A K H 3<5S+ 0 0 142 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.829 110.5 52.0 -59.8 -33.9 9.1 8.3 33.4 109 148 A L T 3<5S- 0 0 99 -4,-2.0 -1,-0.2 -5,-0.1 -2,-0.2 0.474 112.5-120.8 -82.5 -3.1 7.6 9.2 36.8 110 149 A G T < 5 0 0 70 -3,-1.2 -3,-0.2 -5,-0.2 -2,-0.1 0.775 360.0 360.0 66.5 26.3 9.2 6.2 38.4 111 150 A I < 0 0 137 -5,-2.4 -1,-0.2 -6,-0.2 -3,-0.1 -0.429 360.0 360.0 -87.9 360.0 5.9 4.7 39.5 112 !* 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 0.0 113 48 D K 0 0 239 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 41.7 21.3 -21.9 -15.6 114 49 D K - 0 0 185 2,-0.0 2,-1.4 0, 0.0 0, 0.0 -0.907 360.0-163.9-129.2 104.9 21.4 -22.5 -11.9 115 50 D Q - 0 0 73 -2,-0.4 2,-0.1 3,-0.0 3,-0.0 -0.710 14.7-162.8 -84.5 85.4 20.3 -19.4 -10.0 116 51 D K - 0 0 168 -2,-1.4 2,-0.2 1,-0.1 -2,-0.0 -0.489 26.0-105.8 -70.9 145.3 21.6 -20.2 -6.5 117 52 D F - 0 0 27 -2,-0.1 -1,-0.1 33,-0.1 0, 0.0 -0.483 33.3-138.3 -68.0 133.8 20.1 -18.2 -3.7 118 53 D T > - 0 0 52 -2,-0.2 4,-2.5 1,-0.1 5,-0.2 -0.484 25.5-106.4 -84.1 163.5 22.5 -15.5 -2.4 119 54 D P H > S+ 0 0 99 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.876 123.2 52.6 -57.5 -37.7 22.7 -14.9 1.4 120 55 D E H > S+ 0 0 129 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.917 108.9 49.4 -60.5 -47.0 20.9 -11.6 0.9 121 56 D E H > S+ 0 0 27 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.911 107.3 54.9 -61.1 -41.9 18.1 -13.4 -0.9 122 57 D D H X S+ 0 0 21 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.935 109.1 47.7 -57.0 -45.8 17.9 -16.0 1.9 123 58 D E H X S+ 0 0 82 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.934 111.1 50.7 -57.5 -49.8 17.4 -13.1 4.4 124 59 D M H X S+ 0 0 77 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.880 110.7 51.0 -53.5 -40.0 14.7 -11.6 2.1 125 60 D L H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.914 106.9 51.0 -69.2 -44.3 13.0 -15.0 2.0 126 61 D K H X S+ 0 0 93 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.914 113.4 47.4 -59.5 -42.3 12.9 -15.5 5.8 127 62 D R H X S+ 0 0 169 -4,-2.3 4,-1.8 2,-0.2 -1,-0.2 0.894 110.6 50.5 -64.4 -41.4 11.4 -12.1 6.1 128 63 D A H X S+ 0 0 5 -4,-2.2 4,-3.0 1,-0.2 5,-0.2 0.884 111.3 49.3 -66.5 -38.3 8.8 -12.7 3.4 129 64 D V H X S+ 0 0 5 -4,-2.5 4,-2.4 2,-0.2 -126,-0.3 0.908 107.6 52.9 -68.5 -39.8 7.8 -16.0 5.0 130 65 D A H < S+ 0 0 44 -4,-2.2 -127,-2.7 -5,-0.2 -1,-0.2 0.910 117.4 41.1 -59.5 -36.6 7.4 -14.4 8.4 131 66 D Q H < S+ 0 0 89 -4,-1.8 -129,-0.7 -129,-0.2 -2,-0.2 0.907 130.1 21.3 -79.7 -43.0 5.1 -11.9 6.8 132 67 D H H >< S- 0 0 36 -4,-3.0 3,-1.6 1,-0.3 2,-0.4 0.386 82.7-152.1-113.6 0.5 3.1 -14.1 4.3 133 68 D G T 3< S- 0 0 11 -4,-2.4 -1,-0.3 1,-0.2 -2,-0.1 -0.434 74.7 -16.6 67.7-116.8 3.3 -17.6 5.7 134 69 D S T 3 S+ 0 0 90 -2,-0.4 2,-1.8 1,-0.1 -1,-0.2 0.071 93.1 123.7-115.0 26.6 2.9 -20.0 2.8 135 70 D D <> + 0 0 70 -3,-1.6 4,-2.3 1,-0.2 3,-0.3 -0.617 38.0 179.9 -79.9 83.5 1.5 -17.6 0.2 136 71 D W H > S+ 0 0 39 -2,-1.8 4,-2.6 1,-0.2 -1,-0.2 0.786 72.3 56.8 -64.8 -29.1 4.3 -18.3 -2.2 137 72 D K H > S+ 0 0 172 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.942 110.7 43.4 -66.5 -46.0 3.0 -16.0 -5.0 138 73 D M H 4 S+ 0 0 88 -3,-0.3 4,-0.4 2,-0.2 -2,-0.2 0.903 114.0 52.2 -64.1 -37.5 3.0 -13.0 -2.7 139 74 D I H >< S+ 0 0 0 -4,-2.3 3,-1.8 1,-0.2 4,-0.3 0.949 108.2 50.3 -64.0 -45.5 6.4 -14.1 -1.3 140 75 D A H >< S+ 0 0 10 -4,-2.6 3,-2.2 1,-0.3 6,-0.4 0.850 98.4 68.2 -61.1 -32.6 7.9 -14.4 -4.9 141 76 D A T 3< S+ 0 0 83 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.645 89.3 64.7 -64.5 -12.2 6.6 -10.9 -5.6 142 77 D T T < S+ 0 0 63 -3,-1.8 -1,-0.3 -4,-0.4 -2,-0.2 0.637 95.5 71.5 -84.2 -9.4 9.1 -9.5 -3.2 143 78 D F X - 0 0 13 -3,-2.2 3,-0.5 -4,-0.3 -1,-0.0 -0.882 66.7-154.2-110.5 133.7 11.9 -10.7 -5.4 144 79 D P T 3 S+ 0 0 129 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.757 99.3 29.5 -71.1 -19.5 12.8 -9.2 -8.8 145 80 D N T 3 S+ 0 0 97 -5,-0.1 2,-0.4 2,-0.0 -4,-0.1 0.095 103.7 80.8-131.8 23.7 14.2 -12.5 -9.9 146 81 D R < - 0 0 20 -3,-0.5 -3,-0.3 -6,-0.4 2,-0.2 -0.989 52.5-154.2-135.8 143.9 12.4 -15.4 -8.2 147 82 D N > - 0 0 84 -2,-0.4 4,-2.0 -6,-0.0 5,-0.2 -0.532 40.5 -92.8-104.1 177.3 9.1 -17.2 -8.7 148 83 D A H > S+ 0 0 24 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.844 122.5 52.9 -58.3 -39.0 6.9 -19.1 -6.3 149 84 D R H > S+ 0 0 163 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.920 108.1 48.5 -64.3 -48.0 8.5 -22.4 -7.0 150 85 D Q H > S+ 0 0 45 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.908 114.9 46.7 -59.2 -42.0 12.0 -21.2 -6.3 151 86 D C H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 5,-0.2 0.940 112.1 48.4 -67.4 -50.7 10.9 -19.6 -3.1 152 87 D R H X S+ 0 0 99 -4,-2.6 4,-3.0 1,-0.2 5,-0.2 0.928 114.2 47.6 -55.2 -49.4 8.9 -22.7 -1.8 153 88 D D H X S+ 0 0 52 -4,-2.6 4,-2.2 1,-0.2 5,-0.3 0.923 112.0 48.0 -60.6 -47.6 11.8 -25.0 -2.6 154 89 D R H X>S+ 0 0 61 -4,-2.4 4,-1.5 -5,-0.2 5,-1.4 0.902 117.8 42.4 -60.7 -43.1 14.5 -22.8 -1.0 155 90 D W H X>S+ 0 0 47 -4,-2.5 5,-2.3 3,-0.2 4,-0.8 0.977 115.7 47.4 -64.2 -55.3 12.4 -22.5 2.2 156 91 D K H <5S+ 0 0 116 -4,-3.0 -2,-0.2 -5,-0.2 -1,-0.2 0.823 124.5 29.5 -59.3 -35.9 11.2 -26.1 2.4 157 92 D N H <5S+ 0 0 10 -4,-2.2 -1,-0.2 -5,-0.2 41,-0.2 0.619 135.6 10.9-105.9 -12.0 14.7 -27.6 1.9 158 93 D Y H <5S+ 0 0 80 -4,-1.5 -3,-0.2 -5,-0.3 -2,-0.1 0.651 122.9 39.6-139.5 -28.3 17.2 -25.1 3.3 159 94 D L T < - 0 0 64 -3,-0.1 4,-2.2 1,-0.1 5,-0.2 -0.583 21.7-113.8 -92.9 162.7 26.2 -38.7 11.5 170 105 D A H > S+ 0 0 76 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.901 119.9 58.7 -63.0 -40.1 27.3 -42.3 11.1 171 106 D E H > S+ 0 0 144 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.968 107.3 47.4 -46.0 -57.5 24.0 -43.2 12.9 172 107 D E H > S+ 0 0 30 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.854 111.6 48.6 -55.7 -42.5 22.2 -41.4 10.0 173 108 D D H X S+ 0 0 22 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.917 111.3 51.8 -64.3 -40.9 24.2 -43.1 7.3 174 109 D A H X S+ 0 0 61 -4,-2.9 4,-1.8 2,-0.2 -2,-0.2 0.927 110.8 46.4 -60.9 -48.5 23.5 -46.5 8.9 175 110 D L H X S+ 0 0 52 -4,-2.6 4,-2.8 1,-0.2 -1,-0.2 0.915 111.2 53.7 -58.7 -44.2 19.8 -45.9 9.1 176 111 D L H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.892 104.8 53.1 -62.0 -41.3 19.8 -44.7 5.5 177 112 D V H X S+ 0 0 36 -4,-2.4 4,-0.9 2,-0.2 -1,-0.2 0.915 112.7 45.8 -60.8 -40.7 21.6 -47.9 4.3 178 113 D Q H >X S+ 0 0 98 -4,-1.8 4,-2.3 1,-0.2 3,-1.3 0.983 111.1 50.8 -62.6 -57.6 18.9 -50.0 6.0 179 114 D K H 3X S+ 0 0 19 -4,-2.8 4,-3.3 1,-0.3 5,-0.4 0.820 106.3 55.3 -51.2 -38.6 15.9 -47.9 4.7 180 115 D I H 3X S+ 0 0 20 -4,-2.2 4,-1.1 2,-0.2 -1,-0.3 0.783 109.1 47.2 -70.6 -27.3 17.1 -48.1 1.1 181 116 D Q H << S+ 0 0 155 -3,-1.3 -2,-0.2 -4,-0.9 -1,-0.2 0.929 118.2 42.9 -72.4 -46.4 17.2 -51.9 1.3 182 117 D E H < S+ 0 0 115 -4,-2.3 -2,-0.2 1,-0.2 -3,-0.2 0.854 132.9 17.3 -66.3 -41.1 13.7 -51.9 2.8 183 118 D Y H < S- 0 0 67 -4,-3.3 -3,-0.2 1,-0.2 -1,-0.2 0.523 88.9-147.0-113.0 -8.4 12.1 -49.2 0.6 184 119 D G < - 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0 0 21 -3,-1.7 -3,-0.2 -6,-0.3 -1,-0.2 -0.973 54.3-161.3-122.6 140.2 16.3 -34.0 6.5 198 133 D T >> - 0 0 21 -2,-0.4 4,-2.2 -41,-0.2 3,-0.5 -0.585 42.3 -91.3-108.8 175.1 14.1 -33.8 3.4 199 134 D D H 3> S+ 0 0 50 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.839 124.8 59.5 -56.9 -34.9 14.0 -36.0 0.3 200 135 D I H 3> S+ 0 0 43 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.928 108.8 43.5 -58.0 -46.1 16.5 -33.8 -1.5 201 136 D H H <> S+ 0 0 21 -3,-0.5 4,-2.5 2,-0.2 -2,-0.2 0.868 115.4 48.4 -67.8 -38.2 19.0 -34.4 1.3 202 137 D I H X S+ 0 0 0 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.940 110.5 51.1 -67.7 -47.4 18.3 -38.1 1.4 203 138 D K H X S+ 0 0 77 -4,-3.2 4,-0.8 1,-0.2 -2,-0.2 0.911 115.6 42.8 -51.2 -47.8 18.6 -38.3 -2.4 204 139 D N H >X S+ 0 0 84 -4,-2.1 4,-1.3 -5,-0.2 3,-0.5 0.892 109.7 55.0 -70.8 -40.4 21.9 -36.6 -2.3 205 140 D R H 3X S+ 0 0 49 -4,-2.5 4,-2.8 1,-0.2 5,-0.2 0.857 100.2 61.8 -66.4 -32.4 23.4 -38.4 0.7 206 141 D W H 3X S+ 0 0 36 -4,-2.0 4,-3.3 1,-0.2 -1,-0.2 0.862 99.1 54.9 -61.2 -37.5 22.7 -41.7 -1.0 207 142 D V H X>S+ 0 0 15 -4,-3.3 5,-2.2 -5,-0.2 4,-1.1 0.891 109.3 47.0 -51.4 -44.3 26.9 -45.3 -2.4 211 146 D N H ><5S+ 0 0 121 -4,-1.7 3,-0.7 1,-0.2 -2,-0.2 0.943 107.9 53.2 -65.3 -48.7 30.4 -44.1 -3.2 212 147 D K T 3<5S+ 0 0 128 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.282 115.3 43.4 -76.6 16.2 31.9 -44.9 0.2 213 148 D L T <45S- 0 0 94 -3,-0.9 -1,-0.3 -5,-0.1 -2,-0.2 0.454 111.3-121.1-124.8 -20.6 30.5 -48.4 -0.1 214 149 D G T <<5 0 0 65 -4,-1.1 -3,-0.2 -3,-0.7 -4,-0.1 0.865 360.0 360.0 81.0 41.2 31.5 -49.0 -3.7 215 150 D I < 0 0 138 -5,-2.2 -1,-0.2 -6,-0.1 -3,-0.0 -0.656 360.0 360.0 -80.6 360.0 28.2 -49.7 -5.4