==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 16-NOV-04 1Y10 . COMPND 2 MOLECULE: HYPOTHETICAL PROTEIN RV1264/MT1302; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR I.TEWS,F.FINDEISEN,I.SINNING,A.SCHULTZ,J.E.SCHULTZ,J.U.LINDE . 1436 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 56125.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1053 73.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 1.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 185 12.9 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 . 2 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 0.6 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 . 63 4.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 131 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 617 43.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 26 1.8 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 2 4 4 4 7 0 5 0 3 0 1 4 4 1 3 0 0 0 0 0 0 0 0 0 0 1 7 RESIDUES PER ALPHA HELIX . 0 0 4 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 . 4 2 3 5 5 4 2 1 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 4 0 0 0 0 2 2 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 D > 0 0 70 0, 0.0 3,-0.6 0, 0.0 15,-0.0 0.000 360.0 360.0 360.0 -44.6 25.3 47.9 22.3 2 15 A D G > + 0 0 145 1,-0.2 3,-0.6 2,-0.1 0, 0.0 0.486 360.0 74.3 -79.0 -4.5 21.6 47.0 22.5 3 16 A L G 3 S+ 0 0 22 1,-0.2 -1,-0.2 2,-0.0 16,-0.1 0.020 78.6 73.8 -95.9 22.5 21.7 49.4 25.6 4 17 A L G X S- 0 0 18 -3,-0.6 3,-1.4 1,-0.2 -1,-0.2 0.252 82.0-155.5-120.3 2.6 21.9 52.5 23.5 5 18 A G T < - 0 0 51 -3,-0.6 -1,-0.2 1,-0.2 -2,-0.0 -0.008 57.4 -36.7 57.2-154.8 18.3 52.7 22.2 6 19 A D T 3 S+ 0 0 137 2,-0.0 -1,-0.2 6,-0.0 6,-0.1 0.246 100.0 136.8 -84.0 15.0 17.3 54.5 19.0 7 20 A L < + 0 0 17 -3,-1.4 2,-0.3 4,-0.1 542,-0.1 -0.256 27.1 174.3 -71.7 148.5 20.0 57.1 19.9 8 21 A G > + 0 0 52 541,-0.0 3,-0.5 4,-0.0 4,-0.4 -0.948 40.5 13.1-142.6 165.3 22.4 58.6 17.4 9 22 A G T 3> S- 0 0 61 -2,-0.3 4,-1.8 1,-0.2 5,-0.2 -0.358 120.4 -12.6 77.9-149.5 25.1 61.3 17.2 10 23 A T H 3> S+ 0 0 117 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.937 137.3 56.0 -49.7 -50.6 26.6 63.1 20.3 11 24 A A H <> S+ 0 0 16 -3,-0.5 4,-2.2 1,-0.2 -1,-0.2 0.867 105.4 49.2 -52.0 -46.8 23.8 61.6 22.4 12 25 A R H > S+ 0 0 100 -4,-0.4 4,-2.0 2,-0.2 -1,-0.2 0.895 113.0 47.0 -64.1 -41.2 24.6 58.0 21.5 13 26 A A H X S+ 0 0 60 -4,-1.8 4,-1.4 2,-0.2 -2,-0.2 0.853 111.3 51.5 -66.7 -38.8 28.3 58.4 22.2 14 27 A E H X S+ 0 0 64 -4,-2.5 4,-1.5 -5,-0.2 -2,-0.2 0.903 110.7 48.9 -64.3 -40.6 27.5 60.1 25.5 15 28 A R H X S+ 0 0 9 -4,-2.2 4,-3.0 -5,-0.2 -2,-0.2 0.869 105.7 57.0 -66.2 -40.1 25.2 57.2 26.5 16 29 A A H X S+ 0 0 41 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.852 108.2 47.1 -60.4 -39.1 27.8 54.6 25.6 17 30 A K H X S+ 0 0 133 -4,-1.4 4,-1.8 2,-0.2 -1,-0.2 0.835 111.8 51.2 -73.3 -33.1 30.3 56.1 28.0 18 31 A L H X S+ 0 0 0 -4,-1.5 4,-2.1 2,-0.2 -2,-0.2 0.939 111.3 47.0 -64.2 -48.3 27.5 56.3 30.6 19 32 A V H X S+ 0 0 7 -4,-3.0 4,-3.5 1,-0.2 5,-0.2 0.902 110.0 53.8 -61.4 -43.5 26.7 52.5 30.1 20 33 A E H X S+ 0 0 114 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.930 109.1 48.2 -55.0 -49.7 30.4 51.6 30.3 21 34 A W H X S+ 0 0 10 -4,-1.8 4,-0.8 2,-0.2 -1,-0.2 0.882 114.9 46.0 -59.1 -39.6 30.7 53.4 33.6 22 35 A L H ><>S+ 0 0 0 -4,-2.1 5,-2.3 2,-0.2 3,-0.6 0.928 112.9 49.0 -68.1 -48.9 27.6 51.6 34.9 23 36 A L H ><5S+ 0 0 73 -4,-3.5 3,-1.0 1,-0.2 -2,-0.2 0.875 109.0 52.8 -57.3 -41.5 28.7 48.2 33.6 24 37 A E H 3<5S+ 0 0 113 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.667 105.0 53.6 -77.8 -14.2 32.2 48.5 35.1 25 38 A Q T <<5S- 0 0 3 -4,-0.8 1113,-2.6 -3,-0.6 -1,-0.3 0.516 129.7 -94.2 -91.7 -5.4 30.9 49.3 38.6 26 39 A G T < 5S+ 0 0 29 -3,-1.0 2,-0.3 -4,-0.4 -3,-0.2 0.475 75.0 144.6 108.3 7.3 28.7 46.1 38.4 27 40 A I < - 0 0 4 -5,-2.3 -1,-0.4 -6,-0.2 -2,-0.1 -0.621 47.5-125.6 -73.6 134.5 25.3 47.3 37.2 28 41 A T > - 0 0 18 -2,-0.3 4,-1.6 1,-0.1 3,-0.1 -0.398 10.8-117.6 -82.6 154.5 23.9 44.6 34.9 29 42 A P H > S+ 0 0 46 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.859 115.3 56.4 -54.0 -41.4 22.6 45.0 31.3 30 43 A D H > S+ 0 0 31 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.872 106.6 49.4 -59.9 -43.2 19.1 43.9 32.4 31 44 A E H 4 S+ 0 0 23 2,-0.2 4,-0.5 1,-0.2 -1,-0.2 0.876 110.8 50.0 -62.3 -40.0 19.0 46.8 35.0 32 45 A I H >< S+ 0 0 7 -4,-1.6 3,-0.8 1,-0.2 -2,-0.2 0.898 111.4 47.9 -66.9 -42.2 20.2 49.3 32.3 33 46 A R H 3< S+ 0 0 123 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.832 109.5 53.2 -65.3 -36.6 17.5 48.1 29.9 34 47 A A T 3< S+ 0 0 80 -4,-2.0 2,-0.5 1,-0.2 -1,-0.2 0.582 105.6 62.4 -73.8 -11.3 14.8 48.3 32.6 35 48 A T S < S- 0 0 16 -3,-0.8 -1,-0.2 -4,-0.5 6,-0.1 -0.884 78.3-151.2-124.0 98.7 15.8 52.0 33.3 36 49 A N S S+ 0 0 67 -2,-0.5 509,-0.1 1,-0.2 517,-0.1 -0.911 89.1 16.3-117.9 110.7 15.4 54.4 30.5 37 50 A P S S- 0 0 4 0, 0.0 3,-0.4 0, 0.0 -1,-0.2 0.604 78.7-162.3 -84.7 163.1 17.4 56.6 30.7 38 51 A P > + 0 0 3 0, 0.0 3,-1.3 0, 0.0 4,-0.4 0.064 53.8 120.5 -92.6 24.8 19.9 55.0 33.2 39 52 A L T 3 S+ 0 0 4 1,-0.3 3,-0.2 2,-0.1 4,-0.2 0.813 84.3 27.6 -59.0 -38.6 21.4 58.4 34.0 40 53 A L T 3> S+ 0 0 18 -3,-0.4 4,-2.6 1,-0.1 -1,-0.3 0.066 84.5 114.3-114.9 20.1 20.6 58.2 37.8 41 54 A L T <4 S+ 0 0 3 -3,-1.3 4,-0.5 1,-0.2 -1,-0.1 0.908 86.7 39.2 -57.9 -40.5 20.6 54.5 38.1 42 55 A A T 4 S+ 0 0 2 -4,-0.4 4,-0.4 -3,-0.2 3,-0.3 0.842 117.5 49.3 -77.6 -33.0 23.7 54.8 40.4 43 56 A T T >4 S+ 0 0 0 1,-0.2 3,-1.0 2,-0.2 4,-0.3 0.825 100.1 62.3 -76.4 -35.2 22.5 57.9 42.2 44 57 A R G ><>S+ 0 0 20 -4,-2.6 5,-2.5 1,-0.3 3,-1.0 0.726 89.5 70.2 -70.6 -21.7 18.9 56.7 43.1 45 58 A H G > 5S+ 0 0 32 -4,-0.5 3,-1.7 -3,-0.3 -1,-0.3 0.876 91.5 61.7 -53.4 -40.1 20.3 53.9 45.2 46 59 A L G < 5S+ 0 0 36 -3,-1.0 -1,-0.2 -4,-0.4 -2,-0.2 0.669 105.2 44.9 -67.9 -20.7 21.4 56.5 47.7 47 60 A V G < 5S- 0 0 1 -3,-1.0 -1,-0.3 -4,-0.3 487,-0.2 0.196 129.2 -91.0-108.7 14.2 17.9 57.7 48.4 48 61 A G T < 5S+ 0 0 31 -3,-1.7 2,-1.0 1,-0.2 45,-0.4 0.517 81.0 135.2 95.9 8.0 16.4 54.2 48.7 49 62 A D < + 0 0 2 -5,-2.5 -1,-0.2 1,-0.2 -2,-0.1 -0.757 13.8 161.4 -93.6 100.7 15.4 53.4 45.1 50 63 A D - 0 0 35 -2,-1.0 -1,-0.2 2,-0.2 3,-0.1 0.292 62.0-106.2 -99.7 7.8 16.6 49.9 44.4 51 64 A G S S+ 0 0 11 1,-0.3 2,-0.3 -7,-0.1 -2,-0.1 0.735 80.8 127.6 72.4 21.4 14.3 49.3 41.4 52 65 A T - 0 0 0 1075,-0.0 40,-2.4 1060,-0.0 41,-0.3 -0.829 41.7-157.3-114.4 154.0 12.0 47.0 43.5 53 66 A Y E -A 91 0A 56 1057,-2.5 2,-0.3 -2,-0.3 38,-0.3 -0.849 3.7-162.4-130.0 156.7 8.2 47.2 44.0 54 67 A V E -A 90 0A 2 36,-2.7 35,-0.9 -2,-0.3 36,-0.6 -0.989 16.7-128.2-145.2 146.4 5.7 46.0 46.5 55 68 A S > - 0 0 11 -2,-0.3 4,-1.7 33,-0.2 33,-0.2 -0.633 28.2-120.4 -86.5 154.9 2.0 45.3 46.9 56 69 A A H > S+ 0 0 8 31,-0.4 4,-2.5 29,-0.3 30,-0.2 0.885 113.3 57.0 -63.2 -40.7 0.1 46.8 49.9 57 70 A R H > S+ 0 0 112 28,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.885 105.1 49.8 -56.3 -44.7 -0.9 43.2 50.9 58 71 A E H > S+ 0 0 30 27,-0.3 4,-2.7 2,-0.2 5,-0.2 0.890 111.0 49.1 -64.1 -41.1 2.7 42.1 51.1 59 72 A I H X S+ 0 0 0 -4,-1.7 4,-2.4 2,-0.2 6,-0.3 0.939 111.3 50.7 -59.3 -47.6 3.7 45.1 53.3 60 73 A S H X>S+ 0 0 29 -4,-2.5 5,-1.0 1,-0.2 4,-0.7 0.891 115.0 42.8 -58.2 -43.9 0.7 44.4 55.6 61 74 A E H <5S+ 0 0 136 -4,-2.3 -2,-0.2 3,-0.2 -1,-0.2 0.916 118.0 43.3 -69.0 -46.6 1.6 40.7 56.0 62 75 A N H <5S+ 0 0 29 -4,-2.7 -2,-0.2 1,-0.2 -3,-0.2 0.840 125.1 31.7 -70.9 -39.5 5.4 41.2 56.5 63 76 A Y H <5S- 0 0 25 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.400 103.4-124.7-100.6 -0.9 5.3 44.2 58.8 64 77 A G T <5 + 0 0 56 -4,-0.7 2,-0.3 -5,-0.3 -3,-0.2 0.889 59.0 145.1 55.9 45.8 2.0 43.2 60.5 65 78 A V < - 0 0 17 -5,-1.0 -1,-0.2 -6,-0.3 2,-0.2 -0.796 57.4 -91.5-112.9 156.9 0.2 46.5 59.8 66 79 A D > - 0 0 84 -2,-0.3 4,-1.6 1,-0.1 5,-0.1 -0.443 28.7-146.3 -65.7 130.4 -3.4 47.4 59.0 67 80 A L H > S+ 0 0 36 2,-0.2 4,-2.0 -2,-0.2 5,-0.1 0.901 94.7 48.2 -67.0 -45.2 -4.0 47.4 55.2 68 81 A E H > S+ 0 0 131 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.886 114.2 45.6 -66.6 -43.7 -6.6 50.2 55.2 69 82 A L H > S+ 0 0 18 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.851 109.4 57.2 -65.6 -35.7 -4.5 52.6 57.4 70 83 A L H X S+ 0 0 5 -4,-1.6 4,-2.8 1,-0.2 -2,-0.2 0.937 108.4 46.3 -59.5 -45.3 -1.5 51.7 55.2 71 84 A Q H X S+ 0 0 35 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.855 110.5 53.3 -67.4 -36.6 -3.3 52.9 52.1 72 85 A R H X S+ 0 0 76 -4,-1.8 4,-1.6 2,-0.2 -1,-0.2 0.903 113.5 42.3 -63.5 -42.7 -4.5 56.0 53.9 73 86 A V H X S+ 0 0 3 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.911 111.4 55.5 -66.7 -44.8 -0.9 56.9 54.9 74 87 A Q H <>S+ 0 0 5 -4,-2.8 5,-2.1 1,-0.2 4,-0.3 0.885 113.2 41.9 -55.7 -43.3 0.5 56.0 51.5 75 88 A R H <5S+ 0 0 40 -4,-2.0 3,-0.5 3,-0.2 530,-0.5 0.800 111.7 54.3 -74.5 -33.3 -2.0 58.4 49.8 76 89 A A H <5S+ 0 0 1 -4,-1.6 531,-0.4 1,-0.2 -2,-0.2 0.832 104.4 55.2 -71.4 -32.2 -1.5 61.1 52.4 77 90 A V T <5S- 0 0 6 -4,-2.4 -1,-0.2 -5,-0.1 -2,-0.2 0.618 126.7 -99.4 -73.1 -13.9 2.3 61.1 51.9 78 91 A G T 5S+ 0 0 12 -3,-0.5 -3,-0.2 -4,-0.3 2,-0.1 0.608 72.5 143.7 105.0 15.0 1.7 61.7 48.1 79 92 A L < - 0 0 16 -5,-2.1 526,-0.4 -6,-0.2 -1,-0.3 -0.466 60.2 -84.7 -79.2 158.6 2.1 58.2 46.6 80 93 A A - 0 0 3 573,-0.5 2,-0.5 -2,-0.1 524,-0.2 -0.314 46.6-109.0 -60.8 138.2 -0.0 57.0 43.7 81 94 A R - 0 0 52 522,-3.5 2,-0.5 521,-0.3 -1,-0.1 -0.643 36.2-174.6 -72.3 120.9 -3.5 55.6 44.6 82 95 A V - 0 0 23 -2,-0.5 -26,-0.1 1,-0.1 -7,-0.0 -0.953 9.8-174.4-119.7 111.8 -3.5 51.8 44.0 83 96 A D + 0 0 102 -2,-0.5 -1,-0.1 1,-0.1 3,-0.0 0.787 68.5 74.6 -80.0 -26.6 -7.0 50.2 44.6 84 97 A D > - 0 0 88 1,-0.1 3,-1.4 2,-0.0 -28,-0.3 -0.812 66.1-161.0 -89.9 112.1 -5.9 46.6 44.2 85 98 A P T 3 S+ 0 0 28 0, 0.0 -28,-2.6 0, 0.0 -27,-0.3 0.687 91.3 54.1 -65.4 -20.0 -4.0 45.6 47.4 86 99 A D T 3 S+ 0 0 88 -30,-0.2 2,-0.3 -31,-0.2 -31,-0.1 0.504 83.3 107.8 -91.0 -7.7 -2.4 42.7 45.5 87 100 A A < - 0 0 27 -3,-1.4 2,-1.1 1,-0.1 -31,-0.4 -0.573 68.1-138.0 -76.7 129.9 -1.0 44.8 42.7 88 101 A V + 0 0 65 -2,-0.3 -33,-0.2 1,-0.2 565,-0.1 -0.744 60.6 119.4 -89.1 96.3 2.7 45.3 42.8 89 102 A V + 0 0 38 -2,-1.1 564,-0.2 -35,-0.9 -1,-0.2 0.713 41.8 78.6-125.7 -60.4 3.0 49.0 41.9 90 103 A H E S-A 54 0A 7 -36,-0.6 -36,-2.7 -3,-0.3 563,-0.1 -0.222 86.6 -96.9 -61.8 146.9 4.7 51.1 44.6 91 104 A M E > -A 53 0A 12 -38,-0.3 4,-2.0 562,-0.2 -38,-0.3 -0.394 35.0-122.1 -59.4 138.8 8.4 51.3 45.2 92 105 A R H > S+ 0 0 4 -40,-2.4 4,-2.2 1,-0.2 5,-0.2 0.912 110.2 52.5 -55.6 -46.9 9.4 48.9 48.0 93 106 A A H > S+ 0 0 19 -45,-0.4 4,-1.8 -41,-0.3 -1,-0.2 0.844 107.0 52.6 -61.8 -37.0 11.0 51.7 50.1 94 107 A D H > S+ 0 0 9 -3,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.911 111.2 47.0 -63.4 -45.6 7.8 53.9 49.9 95 108 A G H X S+ 0 0 0 -4,-2.0 4,-1.4 1,-0.2 -2,-0.2 0.875 112.7 48.5 -62.8 -41.7 5.6 51.0 51.1 96 109 A E H X S+ 0 0 7 -4,-2.2 4,-0.7 2,-0.2 -1,-0.2 0.843 111.1 50.4 -67.3 -33.6 8.0 50.1 53.9 97 110 A A H < S+ 0 0 1 -4,-1.8 3,-0.4 1,-0.2 4,-0.3 0.838 107.9 52.6 -78.6 -31.9 8.2 53.8 55.1 98 111 A A H >< S+ 0 0 2 -4,-1.7 3,-1.4 1,-0.2 4,-0.3 0.846 101.4 62.2 -68.6 -34.4 4.4 54.2 55.1 99 112 A A H >< S+ 0 0 9 -4,-1.4 3,-1.2 1,-0.2 4,-0.3 0.814 92.2 65.3 -57.7 -33.1 4.2 51.1 57.3 100 113 A R T >< S+ 0 0 76 -4,-0.7 3,-0.9 -3,-0.4 4,-0.3 0.670 86.4 73.1 -66.1 -15.8 6.3 52.9 60.0 101 114 A A T X> S+ 0 0 1 -3,-1.4 3,-1.2 -4,-0.3 4,-0.7 0.733 77.6 73.8 -72.4 -24.8 3.4 55.3 60.5 102 115 A Q H <> S+ 0 0 36 -3,-1.2 4,-2.6 -4,-0.3 3,-0.4 0.767 82.4 72.8 -59.4 -25.7 1.2 52.8 62.3 103 116 A R H <> S+ 0 0 61 -3,-0.9 4,-1.8 -4,-0.3 -1,-0.3 0.872 90.5 55.2 -58.9 -38.4 3.4 53.2 65.2 104 117 A F H <4>S+ 0 0 14 -3,-1.2 5,-1.9 -4,-0.3 -1,-0.2 0.856 110.6 47.1 -61.4 -34.8 2.0 56.6 66.0 105 118 A V H ><5S+ 0 0 37 -4,-0.7 3,-1.3 -3,-0.4 -2,-0.2 0.856 107.9 54.3 -77.5 -36.4 -1.5 55.0 66.0 106 119 A E H 3<5S+ 0 0 132 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.832 104.3 56.7 -62.8 -32.5 -0.3 52.1 68.3 107 120 A L T 3<5S- 0 0 51 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.376 131.9 -89.9 -84.0 4.2 0.9 54.6 70.8 108 121 A G T < 5S+ 0 0 57 -3,-1.3 2,-0.3 1,-0.3 -3,-0.2 0.559 79.2 133.9 108.2 11.6 -2.5 56.2 71.0 109 122 A L < - 0 0 17 -5,-1.9 -1,-0.3 1,-0.1 383,-0.1 -0.687 61.3-103.3 -90.0 145.5 -2.9 58.9 68.4 110 123 A N > - 0 0 74 -2,-0.3 4,-2.3 381,-0.1 5,-0.2 -0.458 20.6-131.9 -62.4 136.1 -6.0 59.1 66.2 111 124 A P H > S+ 0 0 46 0, 0.0 4,-2.1 0, 0.0 -1,-0.1 0.841 108.6 54.4 -55.1 -35.0 -5.5 57.8 62.6 112 125 A D H > S+ 0 0 109 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.877 108.4 45.7 -68.1 -41.6 -7.2 61.0 61.4 113 126 A Q H > S+ 0 0 11 2,-0.2 4,-1.9 -3,-0.2 -1,-0.2 0.862 112.9 51.1 -69.7 -38.3 -4.9 63.4 63.3 114 127 A V H X S+ 0 0 11 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.927 110.9 48.8 -59.7 -46.9 -1.8 61.4 62.1 115 128 A V H X S+ 0 0 8 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.884 108.8 53.5 -63.0 -40.0 -3.0 61.6 58.5 116 129 A L H X S+ 0 0 20 -4,-1.9 4,-1.8 1,-0.2 -1,-0.2 0.928 109.8 46.5 -61.9 -46.5 -3.6 65.4 58.8 117 130 A V H X S+ 0 0 16 -4,-1.9 4,-2.7 1,-0.2 -1,-0.2 0.880 109.6 54.5 -64.2 -41.0 -0.1 66.1 60.0 118 131 A V H X S+ 0 0 7 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.927 107.3 51.7 -58.7 -44.1 1.3 63.8 57.3 119 132 A R H X S+ 0 0 35 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.905 110.0 47.9 -57.5 -42.6 -0.6 66.0 54.7 120 133 A V H X S+ 0 0 3 -4,-1.8 4,-2.5 1,-0.2 -2,-0.2 0.918 112.6 48.8 -67.6 -45.0 0.9 69.2 56.1 121 134 A L H X S+ 0 0 9 -4,-2.7 4,-2.8 1,-0.2 -1,-0.2 0.866 109.9 52.2 -58.6 -42.2 4.4 67.7 56.1 122 135 A A H X S+ 0 0 2 -4,-2.5 4,-1.4 2,-0.2 -2,-0.2 0.889 110.0 48.3 -63.3 -42.5 3.9 66.5 52.5 123 136 A E H X S+ 0 0 25 -4,-2.1 4,-1.2 2,-0.2 3,-0.4 0.959 116.0 43.7 -59.6 -52.1 2.8 70.0 51.4 124 137 A G H X S+ 0 0 9 -4,-2.5 4,-1.8 1,-0.2 3,-0.3 0.871 113.3 50.1 -62.4 -43.6 5.8 71.6 53.2 125 138 A L H X S+ 0 0 4 -4,-2.8 4,-2.7 1,-0.2 -1,-0.2 0.731 101.5 62.9 -69.5 -26.7 8.3 69.1 52.0 126 139 A S H X S+ 0 0 31 -4,-1.4 4,-1.5 -3,-0.4 -1,-0.2 0.873 107.4 44.6 -64.2 -36.4 7.1 69.4 48.4 127 140 A H H X S+ 0 0 60 -4,-1.2 4,-1.5 -3,-0.3 -2,-0.2 0.887 114.9 48.1 -71.4 -41.7 8.3 73.1 48.6 128 141 A A H X S+ 0 0 0 -4,-1.8 4,-1.8 2,-0.2 -2,-0.2 0.882 109.3 53.0 -66.6 -38.6 11.5 72.1 50.3 129 142 A A H X S+ 0 0 4 -4,-2.7 4,-1.6 1,-0.2 -1,-0.2 0.889 106.8 52.9 -63.1 -42.5 12.2 69.3 47.7 130 143 A E H X S+ 0 0 51 -4,-1.5 4,-1.9 2,-0.2 -1,-0.2 0.852 109.6 47.3 -61.4 -41.1 11.8 71.8 44.8 131 144 A A H X S+ 0 0 8 -4,-1.5 4,-2.0 1,-0.2 -1,-0.2 0.855 110.7 53.8 -68.3 -35.4 14.4 74.2 46.4 132 145 A M H X S+ 0 0 27 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.820 105.2 54.5 -65.9 -33.4 16.6 71.2 46.9 133 146 A R H X S+ 0 0 63 -4,-1.6 4,-2.6 2,-0.2 -2,-0.2 0.963 109.3 45.5 -64.2 -52.7 16.2 70.4 43.2 134 147 A Y H X S+ 0 0 54 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.882 112.5 52.2 -53.3 -46.7 17.4 73.8 42.0 135 148 A T H X S+ 0 0 8 -4,-2.0 4,-1.4 1,-0.2 331,-0.3 0.915 113.6 43.1 -58.9 -45.7 20.3 73.7 44.5 136 149 A A H X S+ 0 0 28 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.862 112.1 53.1 -69.4 -39.9 21.5 70.4 43.2 137 150 A L H X S+ 0 0 41 -4,-2.6 4,-2.8 2,-0.2 -2,-0.2 0.908 105.5 53.8 -64.2 -43.6 21.0 71.2 39.5 138 151 A E H < S+ 0 0 96 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.909 113.0 44.3 -56.7 -43.4 23.1 74.4 39.8 139 152 A A H < S+ 0 0 19 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.827 125.8 30.3 -68.9 -34.8 25.9 72.3 41.3 140 153 A I H < S+ 0 0 23 -4,-1.8 2,-2.3 1,-0.2 -2,-0.2 0.889 103.2 70.2 -95.6 -48.5 25.7 69.4 38.8 141 154 A M < + 0 0 72 -4,-2.8 -1,-0.2 -5,-0.2 3,-0.1 -0.431 65.9 165.2 -78.2 70.6 24.4 70.8 35.5 142 155 A R > - 0 0 162 -2,-2.3 3,-1.8 -3,-0.2 2,-0.2 -0.355 52.4 -73.1 -77.6 165.0 27.5 72.8 34.5 143 156 A P T 3 S+ 0 0 137 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.434 120.3 8.8 -69.2 129.7 27.9 74.0 30.9 144 157 A G T 3 S+ 0 0 71 1,-0.3 -3,-0.0 -2,-0.2 -2,-0.0 0.436 86.8 165.7 84.8 -0.0 28.6 71.2 28.5 145 158 A A < - 0 0 29 -3,-1.8 -1,-0.3 4,-0.1 2,-0.1 -0.261 24.6-147.0 -53.9 123.5 28.0 68.5 31.2 146 159 A T > - 0 0 39 -3,-0.1 4,-2.5 1,-0.1 5,-0.2 -0.409 28.7 -97.9 -84.9 167.9 27.6 65.2 29.5 147 160 A E H > S+ 0 0 13 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.835 127.2 48.3 -50.6 -40.3 25.4 62.3 30.7 148 161 A L H > S+ 0 0 35 2,-0.2 4,-2.4 1,-0.2 5,-0.3 0.865 108.8 52.2 -72.0 -39.7 28.5 60.7 32.4 149 162 A D H > S+ 0 0 90 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.898 113.9 45.3 -57.2 -41.4 29.4 64.0 34.0 150 163 A I H X S+ 0 0 8 -4,-2.5 4,-2.7 2,-0.2 5,-0.3 0.933 112.2 50.1 -70.9 -44.7 25.9 64.2 35.4 151 164 A A H X S+ 0 0 0 -4,-2.5 4,-1.7 -5,-0.2 -2,-0.2 0.929 119.0 37.6 -58.9 -47.9 25.8 60.6 36.5 152 165 A K H X S+ 0 0 56 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.914 117.8 48.5 -71.2 -48.5 29.1 60.8 38.4 153 166 A G H X S+ 0 0 31 -4,-2.7 4,-2.4 -5,-0.3 5,-0.2 0.906 114.7 46.0 -58.5 -45.4 28.6 64.4 39.7 154 167 A S H X S+ 0 0 6 -4,-2.7 4,-2.5 -5,-0.3 5,-0.2 0.894 113.0 49.7 -69.8 -38.0 25.1 63.6 41.0 155 168 A Q H X S+ 0 0 0 -4,-1.7 4,-2.0 -5,-0.3 -2,-0.2 0.936 113.2 45.7 -63.3 -51.3 26.2 60.3 42.5 156 169 A A H X S+ 0 0 10 -4,-2.7 4,-1.1 2,-0.2 -2,-0.2 0.914 116.8 44.8 -56.5 -48.3 29.2 61.9 44.4 157 170 A L H X S+ 0 0 12 -4,-2.4 4,-1.8 -5,-0.2 3,-0.4 0.934 114.2 47.1 -64.2 -48.7 27.1 64.9 45.6 158 171 A V H X S+ 0 0 20 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.841 106.5 58.4 -65.1 -35.5 24.1 62.9 46.7 159 172 A S H < S+ 0 0 2 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.845 112.1 41.3 -62.7 -34.9 26.2 60.3 48.6 160 173 A Q H < S+ 0 0 34 -4,-1.1 4,-0.4 -3,-0.4 -2,-0.2 0.786 115.4 49.8 -82.1 -30.2 27.7 63.1 50.7 161 174 A I H >X S+ 0 0 23 -4,-1.8 3,-1.3 1,-0.2 4,-0.8 0.878 97.3 67.5 -75.9 -39.5 24.4 65.0 51.2 162 175 A V H >X S+ 0 0 27 -4,-2.3 4,-0.8 1,-0.3 3,-0.7 0.827 95.9 52.0 -58.1 -45.2 22.2 62.1 52.3 163 176 A P H 34 S+ 0 0 60 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.739 110.6 53.1 -60.1 -23.3 23.9 61.3 55.7 164 177 A L H <> S+ 0 0 32 -3,-1.3 4,-1.7 -4,-0.4 -2,-0.2 0.654 94.2 68.9 -83.4 -21.6 23.5 65.1 56.5 165 178 A L H S+ 0 0 45 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.878 114.2 51.7 -57.1 -40.8 20.3 65.3 61.4 168 181 A M H X S+ 0 0 15 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.907 109.1 50.6 -61.6 -46.7 19.4 68.6 59.8 169 182 A I H X S+ 0 0 0 -4,-2.6 4,-2.8 2,-0.2 5,-0.2 0.921 110.9 46.9 -56.1 -51.5 15.7 67.7 59.7 170 183 A Q H X S+ 0 0 69 -4,-2.1 4,-2.9 1,-0.2 -1,-0.2 0.911 111.5 52.7 -61.2 -41.7 15.5 66.7 63.3 171 184 A D H X S+ 0 0 21 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.876 112.6 43.5 -60.8 -42.7 17.4 69.9 64.3 172 185 A M H X S+ 0 0 9 -4,-2.3 4,-1.5 2,-0.2 -2,-0.2 0.879 114.4 50.3 -72.8 -38.5 15.0 72.1 62.4 173 186 A L H X S+ 0 0 0 -4,-2.8 4,-2.5 2,-0.2 -2,-0.2 0.932 110.3 50.1 -56.4 -50.0 12.0 70.2 63.7 174 187 A F H X S+ 0 0 25 -4,-2.9 4,-3.0 1,-0.2 -2,-0.2 0.891 106.0 56.2 -59.5 -45.1 13.3 70.5 67.3 175 188 A M H X S+ 0 0 12 -4,-1.9 4,-1.8 1,-0.2 -1,-0.2 0.887 111.9 43.3 -50.4 -45.6 13.8 74.2 67.0 176 189 A Q H X S+ 0 0 22 -4,-1.5 4,-2.4 2,-0.2 -2,-0.2 0.887 111.0 53.9 -71.7 -39.7 10.1 74.6 66.0 177 190 A L H X S+ 0 0 7 -4,-2.5 4,-2.3 2,-0.2 5,-0.2 0.919 109.0 50.5 -61.5 -41.0 9.0 72.2 68.7 178 191 A R H X S+ 0 0 15 -4,-3.0 4,-2.1 225,-0.2 -1,-0.2 0.929 112.0 46.0 -59.3 -48.0 10.8 74.3 71.3 179 192 A H H X S+ 0 0 60 -4,-1.8 4,-2.1 1,-0.2 -1,-0.2 0.885 113.3 50.5 -62.4 -39.5 9.2 77.5 70.0 180 193 A M H X S+ 0 0 34 -4,-2.4 4,-1.5 1,-0.2 -2,-0.2 0.866 113.7 43.9 -71.5 -37.1 5.8 75.9 70.0 181 194 A M H X S+ 0 0 32 -4,-2.3 4,-2.7 2,-0.2 -1,-0.2 0.823 110.9 53.7 -77.0 -31.1 6.1 74.6 73.5 182 195 A E H X S+ 0 0 27 -4,-2.1 4,-2.3 2,-0.2 5,-0.2 0.899 108.8 50.6 -68.0 -40.4 7.5 77.9 74.8 183 196 A T H X S+ 0 0 34 -4,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.916 112.8 47.7 -57.9 -43.4 4.5 79.6 73.3 184 197 A E H X S+ 0 0 38 -4,-1.5 4,-1.9 2,-0.2 -2,-0.2 0.880 109.7 50.7 -67.9 -40.8 2.3 77.0 75.1 185 198 A A H X S+ 0 0 18 -4,-2.7 4,-2.4 1,-0.2 5,-0.2 0.967 112.1 47.3 -61.7 -52.5 4.1 77.4 78.5 186 199 A V H X S+ 0 0 8 -4,-2.3 4,-1.6 1,-0.2 -1,-0.2 0.860 108.2 58.1 -58.1 -37.8 3.7 81.2 78.4 187 200 A N H X S+ 0 0 35 -4,-1.8 4,-1.3 -5,-0.2 3,-0.4 0.961 111.7 37.8 -53.8 -59.7 0.0 80.8 77.4 188 201 A A H X S+ 0 0 14 -4,-1.9 4,-1.2 1,-0.2 -2,-0.2 0.843 113.9 56.8 -67.8 -34.3 -1.0 78.7 80.4 189 202 A G H X S+ 0 0 1 -4,-2.4 4,-1.1 1,-0.2 -1,-0.2 0.776 107.6 48.5 -66.4 -29.9 1.2 80.7 82.8 190 203 A E H X S+ 0 0 32 -4,-1.6 4,-0.9 -3,-0.4 -1,-0.2 0.823 113.0 47.9 -75.7 -31.8 -0.5 83.9 81.8 191 204 A R H < S+ 0 0 154 -4,-1.3 -2,-0.2 2,-0.2 -1,-0.2 0.602 109.1 52.2 -89.0 -15.1 -4.0 82.4 82.3 192 205 A A H < S+ 0 0 66 -4,-1.2 -2,-0.2 -5,-0.1 -1,-0.2 0.875 118.5 34.9 -86.1 -45.6 -3.2 80.9 85.7 193 206 A A H < S- 0 0 48 -4,-1.1 2,-1.4 2,-0.2 -2,-0.2 0.761 93.7-151.2 -73.1 -27.4 -2.0 84.1 87.3 194 207 A G S < S+ 0 0 63 -4,-0.9 -1,-0.1 1,-0.2 -2,-0.1 -0.424 72.5 53.9 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274 287 A V H < S+ 0 0 34 -4,-2.2 4,-0.5 2,-0.2 -1,-0.2 0.722 113.0 53.1 -76.7 -18.4 7.5 101.4 50.5 275 288 A V H >< S+ 0 0 2 -4,-1.2 3,-0.7 -5,-0.2 6,-0.3 0.895 106.5 52.5 -75.3 -43.8 6.2 97.9 49.8 276 289 A D H 3< S+ 0 0 50 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.799 111.8 47.2 -55.8 -33.7 3.1 99.4 48.1 277 290 A T T 3< S+ 0 0 112 -4,-1.3 2,-0.6 -5,-0.1 -1,-0.2 0.557 98.0 77.3 -90.9 -11.3 5.5 101.5 46.0 278 291 A D X - 0 0 46 -3,-0.7 3,-0.8 -4,-0.5 -1,-0.0 -0.908 66.8-160.4 -98.3 116.9 7.8 98.6 45.1 279 292 A N T 3 S+ 0 0 148 -2,-0.6 -1,-0.1 1,-0.2 -4,-0.1 0.477 81.6 72.5 -80.6 -1.9 6.1 96.6 42.3 280 293 A N T 3 S+ 0 0 88 -5,-0.1 -1,-0.2 2,-0.1 -5,-0.1 0.797 92.2 68.3 -76.5 -32.4 8.2 93.4 43.0 281 294 A F S < S- 0 0 15 -3,-0.8 2,-0.1 -6,-0.3 3,-0.1 -0.614 81.5-130.4 -84.2 144.1 6.3 92.8 46.2 282 295 A P - 0 0 7 0, 0.0 -68,-0.1 0, 0.0 -4,-0.1 -0.418 57.7 -69.9 -70.6 171.7 2.7 91.8 46.5 283 296 A R - 0 0 82 -70,-0.5 -72,-3.0 -2,-0.1 2,-0.4 -0.218 48.6-130.6 -67.7 156.9 1.0 94.1 49.1 284 297 A 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29.0-136.2-145.0 152.7 5.1 89.8 77.3 294 307 A V E - F 0 301B 26 7,-1.9 7,-2.6 -2,-0.3 2,-0.5 -0.807 17.1-136.8-108.6 150.8 8.3 87.9 78.2 295 308 A S E + F 0 300B 64 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.931 18.6 179.4-111.5 127.6 11.4 87.4 76.1 296 309 A R E > S- F 0 299B 56 3,-0.8 3,-2.0 -2,-0.5 149,-0.1 -0.996 75.0 -12.5-122.1 133.9 13.3 84.1 75.7 297 310 A A T 3 S- 0 0 24 -2,-0.4 139,-0.4 1,-0.3 150,-0.1 0.732 129.7 -52.9 51.4 30.3 16.4 83.9 73.4 298 311 A G T 3 S+ 0 0 27 1,-0.4 -1,-0.3 148,-0.1 139,-0.2 0.395 117.7 102.4 95.7 -1.1 15.6 87.2 71.8 299 312 A D E < -F 296 0B 15 -3,-2.0 -3,-0.8 137,-0.1 2,-0.4 -0.549 65.1-125.5-107.7 171.3 12.0 86.4 70.9 300 313 A W E -F 295 0B 15 -5,-0.2 2,-0.3 -2,-0.2 -5,-0.2 -0.973 21.9-175.1-129.0 137.9 8.7 87.6 72.6 301 314 A F E +F 294 0B 11 -7,-2.6 -7,-1.9 -2,-0.4 2,-0.3 -0.955 32.7 67.7-131.9 149.4 5.9 85.5 73.9 302 315 A G E > S-F 293 0B 3 -2,-0.3 4,-2.4 -9,-0.2 3,-0.3 -0.831 88.1 -40.9 136.4-173.2 2.5 86.3 75.4 303 316 A S H > S+ 0 0 59 -11,-0.5 4,-3.1 -2,-0.3 5,-0.2 0.890 126.8 50.7 -58.4 -48.6 -0.9 87.8 74.8 304 317 A P H > S+ 0 0 3 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.859 111.8 49.6 -61.5 -33.7 0.1 90.8 72.6 305 318 A V H > S+ 0 0 17 -3,-0.3 4,-1.9 2,-0.2 -2,-0.2 0.944 113.6 46.3 -64.5 -48.6 2.1 88.4 70.4 306 319 A N H X S+ 0 0 34 -4,-2.4 4,-1.5 2,-0.2 -1,-0.2 0.891 116.3 44.5 -57.5 -45.5 -0.9 86.1 70.1 307 320 A V H X S+ 0 0 14 -4,-3.1 4,-2.4 2,-0.2 5,-0.2 0.934 111.5 52.1 -67.9 -48.0 -3.3 89.0 69.4 308 321 A A H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -101,-0.3 0.870 108.8 51.5 -56.5 -40.7 -1.0 90.7 66.8 309 322 A S H X S+ 0 0 59 -4,-1.9 4,-1.3 1,-0.2 -1,-0.2 0.896 113.5 43.0 -66.6 -41.7 -0.6 87.5 64.9 310 323 A R H X S+ 0 0 101 -4,-1.5 4,-0.8 2,-0.2 -1,-0.2 0.814 112.8 52.7 -72.8 -33.3 -4.3 86.9 64.6 311 324 A V H X S+ 0 0 0 -4,-2.4 4,-0.6 2,-0.2 3,-0.5 0.856 106.3 54.1 -71.0 -36.8 -5.0 90.6 63.8 312 325 A T H >< S+ 0 0 6 -4,-2.2 3,-0.7 -5,-0.2 -2,-0.2 0.876 103.6 58.1 -59.5 -40.4 -2.4 90.4 61.0 313 326 A G H 3< S+ 0 0 22 -4,-1.3 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3,-1.2 0, 0.0 4,-0.4 0.084 53.8 123.7 -85.8 22.5 20.2 35.1 45.8 1124 52 D L T 3 S+ 0 0 6 1,-0.3 3,-0.2 2,-0.1 4,-0.1 0.797 83.8 23.7 -54.4 -41.0 18.8 34.4 49.3 1125 53 D L T 3> S+ 0 0 17 -3,-0.4 4,-2.9 -222,-0.1 -1,-0.3 0.112 88.0 113.4-116.7 18.7 19.6 37.8 50.8 1126 54 D L H <> S+ 0 0 3 -3,-1.2 4,-0.5 1,-0.2 -2,-0.1 0.864 84.8 40.7 -60.1 -39.6 19.6 39.7 47.5 1127 55 D A H 4 S+ 0 0 3 -4,-0.4 4,-0.3 -3,-0.2 -1,-0.2 0.710 118.3 48.1 -80.7 -22.3 16.5 41.7 48.6 1128 56 D T H >4 S+ 0 0 0 -3,-0.2 3,-1.2 2,-0.1 4,-0.4 0.834 99.4 63.1 -87.1 -37.3 17.7 42.1 52.2 1129 57 D R H ><>S+ 0 0 22 -4,-2.9 5,-2.4 1,-0.3 3,-0.9 0.726 89.9 68.9 -68.2 -23.3 21.3 43.3 51.6 1130 58 D H G ><5S+ 0 0 33 -4,-0.5 3,-2.0 1,-0.2 -1,-0.3 0.890 91.6 63.7 -51.6 -41.5 20.1 46.5 49.9 1131 59 D L G < 5S+ 0 0 43 -3,-1.2 -1,-0.2 1,-0.3 -2,-0.2 0.717 104.6 43.7 -64.1 -23.2 18.8 47.6 53.3 1132 60 D V G < 5S- 0 0 2 -3,-0.9 -1,-0.3 -4,-0.4 -2,-0.2 0.161 130.4 -88.4-110.0 16.6 22.3 47.7 54.8 1133 61 D G T < 5S+ 0 0 33 -3,-2.0 2,-1.2 1,-0.2 45,-0.4 0.429 83.1 132.4 100.3 4.1 23.9 49.4 51.8 1134 62 D D < + 0 0 3 -5,-2.4 -1,-0.2 1,-0.2 -2,-0.1 -0.698 17.0 163.3 -93.6 93.4 24.9 46.6 49.5 1135 63 D D - 0 0 28 -2,-1.2 -1,-0.2 2,-0.1 3,-0.1 0.365 60.9-105.1 -89.7 4.0 23.6 47.7 46.1 1136 64 D G S S+ 0 0 13 1,-0.3 2,-0.3 -7,-0.1 -2,-0.1 0.685 81.7 121.4 80.8 18.3 25.8 45.3 44.1 1137 65 D T - 0 0 1 -1095,-0.0 40,-2.1 -1110,-0.0 2,-0.3 -0.765 44.2-154.6-115.8 160.2 28.3 47.9 42.9 1138 66 D Y E -A 1176 0K 56 -1113,-2.6 2,-0.3 38,-0.3 38,-0.2 -0.946 4.9-164.0-136.1 154.1 32.0 48.4 43.3 1139 67 D V E -A 1175 0K 2 36,-2.2 35,-1.0 -2,-0.3 36,-0.6 -0.972 19.8-122.8-139.5 147.9 34.6 51.2 43.3 1140 68 D S > - 0 0 12 -2,-0.3 4,-1.6 33,-0.2 33,-0.2 -0.533 30.0-119.7 -78.3 155.0 38.3 51.9 43.0 1141 69 D A H > S+ 0 0 9 31,-0.5 4,-2.3 29,-0.3 30,-0.2 0.816 114.5 59.3 -61.3 -33.6 40.0 53.7 45.8 1142 70 D R H > S+ 0 0 92 28,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.933 103.5 49.2 -61.5 -47.1 41.0 56.4 43.2 1143 71 D E H > S+ 0 0 21 27,-0.3 4,-2.6 1,-0.2 5,-0.2 0.868 111.7 48.8 -64.6 -35.7 37.4 57.1 42.3 1144 72 D I H X S+ 0 0 1 -4,-1.6 4,-2.6 2,-0.2 5,-0.3 0.930 110.6 51.4 -67.1 -45.5 36.5 57.5 46.0 1145 73 D S H X>S+ 0 0 28 -4,-2.3 5,-1.4 2,-0.2 4,-1.2 0.897 113.9 44.9 -55.8 -44.1 39.5 59.8 46.5 1146 74 D E H <5S+ 0 0 122 -4,-2.5 3,-0.3 3,-0.2 -2,-0.2 0.974 115.4 44.1 -63.2 -58.3 38.3 61.9 43.5 1147 75 D N H <5S+ 0 0 31 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.821 125.0 34.0 -61.4 -36.3 34.6 62.1 44.4 1148 76 D Y H <5S- 0 0 26 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.567 100.8-126.8 -97.2 -9.6 35.2 62.8 48.1 1149 77 D G T <5 + 0 0 57 -4,-1.2 2,-0.3 -3,-0.3 -3,-0.2 0.953 60.0 147.3 60.9 46.2 38.4 64.9 47.7 1150 78 D V < - 0 0 12 -5,-1.4 -1,-0.2 -6,-0.2 2,-0.2 -0.888 58.3 -94.9-116.1 149.8 40.2 62.6 50.2 1151 79 D D > - 0 0 82 -2,-0.3 4,-2.0 1,-0.1 5,-0.1 -0.426 30.0-146.6 -60.6 123.5 43.8 61.5 50.5 1152 80 D L H > S+ 0 0 33 -2,-0.2 4,-1.8 1,-0.2 -1,-0.1 0.858 94.2 49.9 -63.1 -40.9 44.1 58.1 48.8 1153 81 D E H > S+ 0 0 126 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.877 111.8 46.6 -69.7 -44.5 46.8 56.7 51.1 1154 82 D L H > S+ 0 0 12 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.887 109.8 56.0 -60.4 -41.5 44.9 57.5 54.3 1155 83 D L H X S+ 0 0 5 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.900 108.5 47.2 -56.6 -42.2 41.7 56.1 52.7 1156 84 D Q H X S+ 0 0 26 -4,-1.8 4,-1.6 2,-0.2 -1,-0.2 0.878 111.1 51.1 -69.9 -40.2 43.6 52.8 52.1 1157 85 D R H X S+ 0 0 74 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.887 113.2 46.1 -60.2 -42.7 45.0 52.8 55.7 1158 86 D V H X S+ 0 0 1 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.939 112.1 48.5 -68.0 -47.6 41.5 53.3 57.1 1159 87 D Q H <>S+ 0 0 5 -4,-2.5 5,-2.1 1,-0.2 4,-0.3 0.800 112.9 49.3 -70.8 -22.6 39.8 50.7 55.0 1160 88 D R H ><5S+ 0 0 45 -4,-1.6 3,-0.6 3,-0.2 -189,-0.5 0.842 109.1 52.9 -74.7 -35.0 42.5 48.3 55.9 1161 89 D A H 3<5S+ 0 0 4 -4,-1.7 -2,-0.2 1,-0.2 -188,-0.2 0.802 105.1 54.7 -71.5 -29.9 42.0 49.1 59.6 1162 90 D V T 3<5S- 0 0 12 -4,-2.0 -1,-0.2 -5,-0.1 -2,-0.2 0.603 124.1-103.1 -78.3 -10.1 38.3 48.4 59.4 1163 91 D G T < 5 + 0 0 13 -3,-0.6 -3,-0.2 -4,-0.3 2,-0.1 0.693 69.4 146.4 97.6 22.9 39.0 45.0 58.0 1164 92 D L < - 0 0 18 -5,-2.1 -193,-0.3 1,-0.1 -1,-0.2 -0.458 61.0 -78.0 -82.3 162.9 38.3 45.3 54.3 1165 93 D A - 0 0 4 -146,-0.5 2,-0.7 -2,-0.1 -195,-0.2 -0.292 49.6-109.8 -62.9 140.0 40.3 43.4 51.7 1166 94 D R - 0 0 49 -197,-2.8 2,-0.6 -198,-0.3 -1,-0.1 -0.692 37.3-176.5 -77.5 114.6 43.8 44.8 51.0 1167 95 D V - 0 0 23 -2,-0.7 -26,-0.1 1,-0.1 -7,-0.0 -0.941 10.2-179.0-116.1 108.1 43.8 46.3 47.5 1168 96 D D + 0 0 93 -2,-0.6 -1,-0.1 1,-0.1 -12,-0.0 0.877 67.0 74.9 -78.4 -37.9 47.2 47.6 46.5 1169 97 D D > - 0 0 89 1,-0.1 3,-1.1 2,-0.0 -28,-0.3 -0.666 68.1-159.5 -77.7 113.0 46.2 48.9 43.0 1170 98 D P T 3 S+ 0 0 29 0, 0.0 -28,-2.6 0, 0.0 -29,-0.3 0.677 89.6 51.5 -68.8 -17.9 44.3 52.1 43.6 1171 99 D D T 3 S+ 0 0 86 -30,-0.2 2,-0.3 -31,-0.2 -31,-0.1 0.495 83.2 108.7 -95.5 -7.7 42.6 51.9 40.2 1172 100 D A < - 0 0 28 -3,-1.1 2,-0.9 1,-0.1 -31,-0.5 -0.565 69.4-134.6 -73.3 134.0 41.3 48.3 40.6 1173 101 D V + 0 0 62 -2,-0.3 -33,-0.2 1,-0.2 -154,-0.1 -0.801 61.1 118.8 -95.1 100.7 37.6 48.2 41.1 1174 102 D V + 0 0 36 -35,-1.0 -155,-0.3 -2,-0.9 -1,-0.2 0.669 40.3 80.4-131.8 -59.8 37.2 45.7 44.0 1175 103 D H E S-A 1139 0K 6 -36,-0.6 -36,-2.2 -3,-0.3 -1,-0.1 -0.242 84.7 -98.1 -63.4 146.7 35.5 47.0 47.2 1176 104 D M E >> -A 1138 0K 15 -38,-0.2 4,-1.8 -157,-0.2 3,-0.6 -0.383 36.1-121.1 -53.4 136.8 31.8 47.4 47.6 1177 105 D R H 3> S+ 0 0 3 -40,-2.1 4,-2.1 1,-0.2 5,-0.2 0.883 110.3 53.1 -53.6 -46.9 30.8 51.0 46.9 1178 106 D A H 3> S+ 0 0 16 -45,-0.4 4,-1.7 -41,-0.3 -1,-0.2 0.817 106.8 54.0 -60.4 -33.7 29.3 51.5 50.4 1179 107 D D H <> S+ 0 0 4 -3,-0.6 4,-1.8 2,-0.2 -1,-0.2 0.918 109.7 45.6 -67.8 -46.8 32.5 50.4 52.0 1180 108 D G H X S+ 0 0 1 -4,-1.8 4,-1.4 1,-0.2 -2,-0.2 0.858 113.5 49.9 -62.8 -38.9 34.7 52.8 50.2 1181 109 D E H X S+ 0 0 8 -4,-2.1 4,-0.7 -5,-0.2 -1,-0.2 0.825 109.4 51.5 -69.7 -35.5 32.3 55.6 50.8 1182 110 D A H < S+ 0 0 0 -4,-1.7 3,-0.4 -5,-0.2 4,-0.3 0.870 109.5 49.5 -67.2 -39.2 32.1 54.9 54.5 1183 111 D A H >< S+ 0 0 1 -4,-1.8 3,-1.3 1,-0.2 4,-0.3 0.825 102.1 62.2 -71.0 -32.4 35.9 54.8 54.9 1184 112 D A H >< S+ 0 0 4 -4,-1.4 3,-1.3 1,-0.2 4,-0.2 0.803 93.1 65.5 -60.1 -31.3 36.3 58.2 53.1 1185 113 D R T >< S+ 0 0 65 -4,-0.7 3,-0.8 -3,-0.4 4,-0.3 0.649 86.4 71.7 -70.8 -13.7 34.2 59.8 55.8 1186 114 D A T X> S+ 0 0 0 -3,-1.3 3,-1.0 -4,-0.3 4,-0.6 0.691 80.0 72.5 -75.3 -19.0 37.1 59.1 58.3 1187 115 D Q H <> S+ 0 0 33 -3,-1.3 4,-2.5 -4,-0.3 3,-0.5 0.756 82.3 73.2 -64.5 -22.9 39.3 61.7 56.8 1188 116 D R H <> S+ 0 0 55 -3,-0.8 4,-1.1 -4,-0.2 -1,-0.2 0.819 89.9 57.3 -63.2 -28.7 37.0 64.3 58.4 1189 117 D F H <>>S+ 0 0 11 -3,-1.0 5,-1.7 -4,-0.3 4,-1.1 0.849 108.7 46.6 -67.5 -33.1 38.5 63.4 61.8 1190 118 D V H <5S+ 0 0 35 -4,-0.6 3,-0.4 -3,-0.5 -2,-0.2 0.939 105.8 57.4 -72.8 -49.7 41.9 64.3 60.4 1191 119 D E H <5S+ 0 0 107 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.750 104.8 56.4 -49.6 -30.4 40.6 67.6 58.9 1192 120 D L H <5S- 0 0 43 -4,-1.1 -1,-0.2 -5,-0.2 -2,-0.2 0.933 130.6 -85.9 -66.1 -50.5 39.5 68.5 62.4 1193 121 D G T <5S+ 0 0 64 -4,-1.1 2,-0.2 -3,-0.4 -3,-0.2 0.237 86.3 122.9 156.4 -12.5 43.0 68.1 64.1 1194 122 D L < - 0 0 13 -5,-1.7 -1,-0.3 1,-0.1 -2,-0.1 -0.554 63.1-117.4 -76.0 136.6 43.4 64.5 65.0 1195 123 D N >> - 0 0 65 -2,-0.2 4,-1.5 1,-0.1 3,-0.5 -0.383 19.3-114.5 -75.8 153.7 46.5 62.9 63.5 1196 124 D P H 3> S+ 0 0 44 0, 0.0 4,-2.5 0, 0.0 3,-0.4 0.896 110.0 57.6 -48.7 -49.3 46.2 60.0 61.0 1197 125 D D H 3> S+ 0 0 104 1,-0.2 4,-1.6 2,-0.2 5,-0.0 0.815 110.2 41.9 -59.3 -38.0 48.0 57.4 63.2 1198 126 D Q H <> S+ 0 0 51 -3,-0.5 4,-2.1 2,-0.2 -1,-0.2 0.720 111.1 54.8 -84.7 -23.2 45.5 57.8 66.1 1199 127 D V H X S+ 0 0 7 -4,-1.5 4,-2.7 -3,-0.4 -2,-0.2 0.932 110.6 47.7 -67.7 -49.1 42.4 57.9 63.9 1200 128 D V H X S+ 0 0 8 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.921 112.0 50.1 -54.1 -47.9 43.5 54.6 62.4 1201 129 D L H X S+ 0 0 41 -4,-1.6 4,-2.0 -5,-0.2 -1,-0.2 0.912 110.9 47.5 -59.6 -46.4 44.1 53.3 65.9 1202 130 D V H X S+ 0 0 9 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.918 110.1 54.5 -61.2 -42.6 40.6 54.3 67.1 1203 131 D V H X S+ 0 0 6 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.904 107.3 50.4 -56.5 -42.3 39.2 52.8 63.9 1204 132 D R H X S+ 0 0 43 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.908 109.9 49.3 -62.3 -45.5 40.9 49.4 64.8 1205 133 D V H X S+ 0 0 10 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.940 112.3 48.7 -59.7 -47.9 39.5 49.4 68.3 1206 134 D L H X S+ 0 0 3 -4,-2.6 4,-3.0 1,-0.2 -2,-0.2 0.895 110.9 50.7 -54.4 -46.5 36.0 50.2 67.0 1207 135 D A H X S+ 0 0 7 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.874 109.8 47.8 -67.4 -43.9 36.3 47.4 64.4 1208 136 D E H X S+ 0 0 37 -4,-2.4 4,-0.9 2,-0.2 -1,-0.2 0.952 116.0 46.2 -56.6 -50.5 37.4 44.7 66.9 1209 137 D G H >X S+ 0 0 10 -4,-2.4 4,-1.4 1,-0.2 3,-0.5 0.896 113.7 47.4 -60.2 -44.3 34.6 45.8 69.3 1210 138 D L H 3X S+ 0 0 4 -4,-3.0 4,-3.3 1,-0.2 -1,-0.2 0.790 99.5 67.4 -70.8 -30.4 31.9 45.9 66.5 1211 139 D S H 3X S+ 0 0 22 -4,-1.9 4,-1.6 1,-0.2 -1,-0.2 0.856 105.9 43.2 -58.7 -32.5 33.0 42.5 65.2 1212 140 D H H - 0 0 175 -2,-1.4 3,-1.2 1,-0.1 2,-0.2 -0.535 49.5 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