==== 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 STRUCTURAL GENOMICS, UNKNOWN FUNCTION 13-FEB-07 2OV8 . COMPND 2 MOLECULE: STAL; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES TOYOCAENSIS; . AUTHOR R.SHI,A.MATTE,M.CYGLER,MONTREAL-KINGSTON BACTERIAL STRUCTURA . 241 3 1 0 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11203.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 161 66.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 23 9.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.8 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 . 10 4.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 13.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 86 35.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 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 0 0 1 3 4 1 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 0 0 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 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 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 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 M 0 0 113 0, 0.0 59,-1.8 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 126.3 -15.9 46.2 42.5 2 4 A M E -ab 60 80A 0 77,-3.3 79,-2.4 57,-0.2 80,-1.3 -0.677 360.0-172.0 -92.1 130.1 -14.3 49.4 41.2 3 5 A C E -ab 61 82A 0 57,-2.3 59,-3.1 -2,-0.4 2,-0.4 -0.981 5.3-157.3-126.3 129.0 -16.4 52.3 39.8 4 6 A W E -ab 62 83A 0 78,-1.8 80,-3.2 -2,-0.4 2,-0.8 -0.811 15.9-156.0-103.1 136.6 -15.2 55.5 38.0 5 7 A I E -ab 63 84A 3 57,-2.5 59,-2.3 -2,-0.4 2,-0.4 -0.968 34.5-171.4 -99.7 106.8 -16.9 58.8 37.6 6 8 A A E +ab 64 85A 0 78,-3.0 80,-2.9 -2,-0.8 2,-0.3 -0.825 13.6 152.5-104.7 142.7 -15.0 59.7 34.5 7 9 A S E - b 0 86A 4 57,-1.6 80,-0.1 -2,-0.4 3,-0.1 -0.942 46.2-108.7-165.6 146.2 -15.1 63.2 32.9 8 10 A Y > - 0 0 5 78,-0.7 3,-1.4 -2,-0.3 5,-0.3 -0.423 66.4 -80.4 -64.0 148.2 -13.3 65.7 30.8 9 11 A P T 3 S+ 0 0 1 0, 0.0 -1,-0.1 0, 0.0 116,-0.0 -0.359 117.3 17.4 -53.5 140.3 -12.3 68.6 33.0 10 12 A K T 3 S+ 0 0 43 -3,-0.1 86,-0.1 1,-0.1 -2,-0.1 0.621 81.8 126.3 74.5 19.5 -15.1 71.1 33.7 11 13 A A S < S- 0 0 3 -3,-1.4 145,-0.2 75,-0.1 -1,-0.1 0.286 95.2 -90.3 -85.4 6.6 -17.8 68.7 32.6 12 14 A G S > S+ 0 0 13 -4,-0.1 4,-2.1 -5,-0.1 5,-0.1 0.700 79.3 147.4 89.8 23.4 -19.5 69.3 35.9 13 15 A G H > + 0 0 6 -5,-0.3 4,-2.7 2,-0.2 5,-0.2 0.810 69.0 53.6 -60.0 -38.0 -17.7 66.5 37.9 14 16 A H H > S+ 0 0 39 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.967 108.8 50.6 -61.7 -50.9 -17.7 68.4 41.2 15 17 A W H > S+ 0 0 28 1,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.916 113.3 45.2 -52.0 -46.7 -21.4 68.9 41.0 16 18 A L H X S+ 0 0 1 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.929 111.3 50.8 -66.0 -45.2 -22.0 65.2 40.3 17 19 A R H X S+ 0 0 9 -4,-2.7 4,-1.7 1,-0.2 -1,-0.2 0.809 106.8 58.1 -62.2 -31.5 -19.6 64.0 43.1 18 20 A a H X S+ 0 0 9 -4,-2.6 4,-2.5 -5,-0.2 5,-0.2 0.965 109.9 42.2 -54.6 -56.3 -21.5 66.3 45.4 19 21 A M H X S+ 0 0 0 -4,-1.7 4,-1.3 1,-0.2 -2,-0.2 0.915 112.7 51.2 -62.6 -45.8 -24.8 64.6 44.7 20 22 A L H X S+ 0 0 0 -4,-2.6 4,-1.9 2,-0.2 -1,-0.2 0.866 113.1 48.0 -64.0 -32.2 -23.4 61.1 44.8 21 23 A T H X S+ 0 0 1 -4,-1.7 4,-4.3 -5,-0.2 5,-0.4 0.992 109.9 47.7 -68.8 -61.9 -21.8 61.8 48.1 22 24 A S H X S+ 0 0 5 -4,-2.5 4,-0.8 1,-0.3 -1,-0.2 0.632 113.2 52.2 -62.2 -11.7 -24.8 63.4 49.9 23 25 A Y H < S+ 0 0 32 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.890 116.5 36.7 -82.2 -47.5 -26.9 60.5 48.6 24 26 A V H < S+ 0 0 90 -4,-1.9 -2,-0.2 -3,-0.2 -3,-0.2 0.894 122.9 45.5 -70.2 -40.2 -24.5 57.9 50.0 25 27 A T H < S- 0 0 80 -4,-4.3 2,-0.3 2,-0.2 -3,-0.2 0.945 89.9-154.5 -61.4 -50.1 -23.8 60.0 53.1 26 28 A G < + 0 0 61 -4,-0.8 -1,-0.1 1,-0.4 -4,-0.1 -0.369 67.3 89.3 95.6 -50.4 -27.5 60.7 53.6 27 29 A E S S- 0 0 52 -2,-0.3 -1,-0.4 1,-0.1 -2,-0.2 -0.361 90.8-103.5 -69.5 153.5 -26.6 64.0 55.4 28 30 A P - 0 0 91 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.487 37.4-136.2 -67.0 153.7 -26.1 67.2 53.4 29 31 A V + 0 0 30 1,-0.1 168,-0.1 -2,-0.1 -7,-0.1 -0.975 31.4 167.7-119.3 133.7 -22.5 68.1 53.0 30 32 A E + 0 0 44 -2,-0.4 171,-0.3 167,-0.1 2,-0.2 0.829 59.7 74.5-100.3 -49.2 -21.0 71.6 53.4 31 33 A T S >> S- 0 0 54 1,-0.1 3,-0.8 169,-0.1 4,-0.6 -0.475 70.6-141.5 -76.8 132.7 -17.3 71.0 53.5 32 34 A W H >> S+ 0 0 22 165,-0.4 4,-2.1 1,-0.3 3,-2.0 0.915 104.8 60.5 -60.6 -47.2 -15.4 70.2 50.2 33 35 A P H 3> S+ 0 0 51 0, 0.0 4,-1.8 0, 0.0 -1,-0.3 0.848 95.3 65.9 -42.4 -35.1 -13.2 67.7 51.9 34 36 A G H <> S+ 0 0 18 -3,-0.8 4,-1.3 2,-0.2 -2,-0.2 0.813 104.5 44.1 -56.8 -32.1 -16.5 66.0 52.7 35 37 A I H -c 63 0A 36 21,-0.2 4,-2.2 1,-0.2 3,-0.3 -0.873 11.6-143.3-107.9 118.1 -10.4 62.2 43.0 42 44 A L H > S+ 0 0 1 21,-2.8 4,-2.9 -2,-0.6 5,-0.2 0.902 99.4 54.8 -49.4 -51.6 -7.7 59.8 41.8 43 45 A E H > S+ 0 0 40 20,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.924 110.2 48.7 -45.7 -50.3 -5.2 62.7 40.8 44 46 A G H > S+ 0 0 26 -3,-0.3 4,-1.3 2,-0.2 -1,-0.2 0.914 110.8 49.0 -57.9 -48.8 -5.5 64.1 44.4 45 47 A L H >X>S+ 0 0 20 -4,-2.2 5,-2.3 1,-0.2 3,-0.8 0.950 112.2 49.3 -55.4 -48.6 -4.9 60.7 46.0 46 48 A L H ><5S+ 0 0 56 -4,-2.9 3,-1.1 1,-0.3 -1,-0.2 0.843 101.1 61.9 -65.1 -33.7 -1.9 60.2 43.8 47 49 A R H 3<5S+ 0 0 114 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.868 109.6 43.9 -60.3 -34.9 -0.5 63.6 44.6 48 50 A D H <<5S- 0 0 123 -4,-1.3 -1,-0.3 -3,-0.8 -2,-0.2 0.491 121.4-106.7 -81.6 -11.2 -0.3 62.4 48.3 49 51 A G T <<5S+ 0 0 71 -3,-1.1 2,-0.4 -4,-0.5 -3,-0.2 0.687 77.8 134.4 82.9 15.7 1.1 59.0 47.4 50 52 A E < + 0 0 101 -5,-2.3 -1,-0.4 -6,-0.2 -2,-0.1 -0.770 28.7 177.1 -81.3 141.3 -2.1 57.3 48.1 51 53 A A - 0 0 68 -2,-0.4 3,-0.1 -3,-0.1 -9,-0.0 -0.853 30.4-122.0-142.5 120.4 -3.4 54.7 45.7 52 54 A P - 0 0 30 0, 0.0 8,-0.0 0, 0.0 10,-0.0 -0.235 40.5 -94.0 -56.7 140.6 -6.7 52.8 46.4 53 55 A S - 0 0 85 1,-0.1 2,-0.4 2,-0.1 23,-0.0 -0.251 33.2-124.4 -56.8 139.4 -6.3 49.1 46.5 54 56 A A S S+ 0 0 37 1,-0.2 22,-0.1 -3,-0.1 -1,-0.1 -0.744 93.8 27.1 -83.7 134.3 -7.0 47.1 43.3 55 57 A D S S- 0 0 116 -2,-0.4 -1,-0.2 1,-0.1 2,-0.1 0.944 75.1-174.4 73.6 52.3 -9.7 44.5 44.0 56 58 A P - 0 0 18 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 -0.505 22.7-141.2 -64.7 148.8 -11.7 46.0 46.8 57 59 A D S S+ 0 0 167 -2,-0.1 2,-0.3 2,-0.1 -2,-0.0 0.455 86.7 50.0 -99.2 -1.5 -14.2 43.4 48.0 58 60 A E S S- 0 0 67 -57,-0.0 2,-0.1 0, 0.0 -3,-0.0 -0.897 107.2 -81.7-123.2 161.2 -16.9 46.1 48.6 59 61 A Q - 0 0 71 -2,-0.3 2,-0.4 -57,-0.1 -57,-0.2 -0.368 43.5-168.3 -69.9 136.1 -17.8 48.8 46.0 60 62 A V E -a 2 0A 48 -59,-1.8 -57,-2.3 -4,-0.1 2,-0.5 -0.974 10.2-149.7-121.5 139.3 -15.6 51.9 45.7 61 63 A L E +a 3 0A 20 -2,-0.4 2,-0.4 -23,-0.3 -57,-0.2 -0.947 21.2 172.5-105.6 125.0 -16.4 55.1 43.8 62 64 A L E -a 4 0A 3 -59,-3.1 -57,-2.5 -2,-0.5 2,-0.3 -0.990 17.2-150.6-130.5 144.1 -13.5 57.1 42.4 63 65 A A E +ac 5 41A 4 -23,-2.7 -21,-2.8 -2,-0.4 2,-0.3 -0.818 22.2 163.6-109.2 150.8 -13.6 60.1 40.1 64 66 A T E -a 6 0A 1 -59,-2.3 -57,-1.6 -2,-0.3 -2,-0.0 -0.990 39.6-152.5-158.9 157.8 -10.9 61.0 37.5 65 67 A H + 0 0 19 -2,-0.3 3,-0.1 -59,-0.2 -1,-0.1 0.461 64.4 118.7-105.2 -11.2 -10.2 63.2 34.4 66 68 A F S S- 0 0 28 1,-0.1 62,-0.2 -58,-0.1 -59,-0.2 -0.273 76.6-105.6 -47.5 134.8 -7.6 60.7 33.1 67 69 A T > - 0 0 5 60,-2.2 3,-1.6 1,-0.1 67,-0.1 -0.379 35.1-115.8 -37.4 134.1 -8.0 59.0 29.8 68 70 A A T 3 S+ 0 0 1 66,-0.4 -1,-0.1 1,-0.2 -2,-0.1 0.748 113.4 60.9 -58.8 -24.4 -9.0 55.3 30.5 69 71 A D T 3 + 0 0 94 3,-0.0 -1,-0.2 4,-0.0 5,-0.1 0.403 69.5 127.9 -85.7 0.5 -5.7 54.2 28.9 70 72 A R X - 0 0 106 -3,-1.6 3,-1.8 1,-0.1 4,-0.4 -0.344 66.7-127.3 -56.5 133.4 -3.4 56.0 31.3 71 73 A P G > S+ 0 0 73 0, 0.0 3,-2.4 0, 0.0 4,-0.4 0.879 105.1 65.9 -57.8 -32.0 -0.9 53.4 32.5 72 74 A V G > S+ 0 0 46 1,-0.3 3,-0.5 2,-0.2 -2,-0.1 0.751 96.8 57.7 -61.2 -21.8 -1.6 54.2 36.2 73 75 A L G X S+ 0 0 1 -3,-1.8 3,-2.5 1,-0.2 -1,-0.3 0.600 79.8 88.5 -78.8 -10.7 -5.1 52.9 35.7 74 76 A R G X S+ 0 0 152 -3,-2.4 3,-2.1 -4,-0.4 4,-0.3 0.848 75.0 69.9 -64.1 -26.5 -3.8 49.5 34.5 75 77 A F G < S+ 0 0 118 -3,-0.5 -1,-0.3 -4,-0.4 4,-0.2 0.708 101.6 46.6 -56.7 -17.7 -3.9 48.4 38.2 76 78 A Y G <> S+ 0 0 7 -3,-2.5 4,-1.4 1,-0.1 -1,-0.3 0.254 76.9 116.8-111.7 10.0 -7.6 48.5 38.0 77 79 A R T <4 S+ 0 0 133 -3,-2.1 71,-0.6 1,-0.2 3,-0.2 0.867 87.0 24.9 -46.9 -53.2 -8.0 46.6 34.7 78 80 A E T 4 S+ 0 0 62 -4,-0.3 -1,-0.2 1,-0.2 -2,-0.1 0.802 117.5 59.0 -88.4 -28.1 -9.9 43.6 36.1 79 81 A S T 4 S+ 0 0 4 -4,-0.2 -77,-3.3 -78,-0.1 2,-0.5 0.593 78.0 104.8 -81.9 -8.0 -11.5 45.1 39.1 80 82 A T E < +b 2 0A 0 -4,-1.4 68,-0.2 -79,-0.2 -77,-0.2 -0.614 34.3 163.4 -78.8 121.3 -13.5 47.8 37.3 81 83 A A E + 0 0 21 -79,-2.4 69,-2.1 -2,-0.5 2,-0.3 0.772 59.4 21.5-103.7 -35.1 -17.2 47.0 37.0 82 84 A K E -bd 3 150A 36 -80,-1.3 -78,-1.8 67,-0.2 2,-0.4 -0.947 51.7-164.6-142.6 153.3 -18.8 50.3 36.1 83 85 A V E -bd 4 151A 0 67,-1.5 69,-2.4 -2,-0.3 2,-0.7 -0.985 7.1-160.8-139.7 125.5 -18.1 53.7 34.6 84 86 A V E -bd 5 152A 0 -80,-3.2 -78,-3.0 -2,-0.4 2,-0.7 -0.946 17.3-162.7-102.7 114.5 -20.2 56.8 34.8 85 87 A C E -bd 6 153A 0 67,-2.1 69,-2.5 -2,-0.7 2,-0.5 -0.863 2.1-158.4-101.9 109.0 -19.0 59.0 31.9 86 88 A L E -bd 7 154A 1 -80,-2.9 -78,-0.7 -2,-0.7 2,-0.3 -0.761 12.3-170.3 -95.2 126.1 -20.1 62.6 32.4 87 89 A I E - d 0 155A 1 67,-3.0 69,-3.1 -2,-0.5 70,-0.3 -0.895 8.0-174.4-121.0 145.0 -20.1 64.7 29.2 88 90 A R - 0 0 40 -2,-0.3 5,-0.1 67,-0.2 -77,-0.1 -0.966 42.3 -87.2-133.7 151.9 -20.6 68.4 28.5 89 91 A N >> - 0 0 39 -2,-0.3 3,-2.0 1,-0.2 4,-0.9 -0.412 39.5-141.8 -50.3 111.6 -20.9 70.7 25.4 90 92 A P H >> S+ 0 0 1 0, 0.0 4,-1.6 0, 0.0 3,-0.9 0.858 97.7 66.0 -52.9 -41.4 -17.2 71.4 24.7 91 93 A R H 3> S+ 0 0 23 1,-0.3 4,-1.3 2,-0.2 5,-0.1 0.800 101.2 52.0 -46.2 -34.3 -18.0 75.0 23.7 92 94 A D H <> S+ 0 0 52 -3,-2.0 4,-2.8 2,-0.2 -1,-0.3 0.812 99.2 61.3 -76.8 -32.2 -18.9 75.5 27.4 93 95 A A H X S+ 0 0 2 -4,-2.1 4,-1.3 -3,-0.2 3,-1.0 0.946 115.9 38.9 -65.8 -51.7 -11.7 77.9 31.3 98 100 A M H >< S+ 0 0 43 -4,-2.4 3,-0.8 1,-0.2 -2,-0.2 0.938 107.7 67.6 -60.3 -42.9 -11.9 81.7 30.7 99 101 A R T 3< S+ 0 0 73 -4,-3.9 -1,-0.2 1,-0.3 -2,-0.2 0.655 120.5 17.7 -51.7 -20.4 -14.6 81.8 33.5 100 102 A M T <4 0 0 83 -3,-1.0 -1,-0.3 -4,-0.5 -2,-0.2 0.379 360.0 360.0-128.7 -8.4 -11.8 80.9 36.0 101 103 A K << 0 0 159 -4,-1.3 -3,-0.1 -3,-0.8 -4,-0.0 0.185 360.0 360.0-109.3 360.0 -8.6 81.7 34.0 102 ! 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 0.0 103 110 A V > 0 0 126 0, 0.0 4,-1.2 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 -14.3 -11.1 89.8 24.4 104 111 A E T 4 + 0 0 71 1,-0.2 4,-0.1 2,-0.2 111,-0.0 0.823 360.0 64.6 -67.4 -31.6 -7.6 89.4 22.9 105 112 A A T 4 S+ 0 0 82 1,-0.2 4,-0.5 2,-0.1 -1,-0.2 0.651 106.5 38.7 -65.9 -20.2 -7.3 86.7 25.6 106 113 A C T > S+ 0 0 18 -3,-0.4 4,-2.7 2,-0.2 5,-0.3 0.831 95.1 70.1-104.9 -45.6 -10.0 84.5 24.0 107 114 A R T < S+ 0 0 50 -4,-1.2 -1,-0.1 1,-0.2 -2,-0.1 0.298 113.5 35.4 -62.9 14.6 -9.8 84.5 20.2 108 115 A K T > S+ 0 0 57 -3,-0.1 4,-3.1 -4,-0.1 -1,-0.2 0.541 109.1 57.2-140.4 -41.1 -6.6 82.5 20.5 109 116 A I H > S+ 0 0 19 -4,-0.5 4,-3.7 2,-0.2 5,-0.2 0.878 109.5 53.1 -56.9 -39.4 -7.2 80.2 23.6 110 117 A A H X S+ 0 0 3 -4,-2.7 4,-2.8 2,-0.2 -1,-0.2 0.869 107.7 49.3 -62.4 -37.7 -10.1 79.2 21.4 111 118 A E H > S+ 0 0 36 -5,-0.3 4,-2.9 2,-0.2 5,-0.3 0.929 113.7 45.4 -65.2 -45.9 -7.6 78.5 18.6 112 119 A T H X S+ 0 0 65 -4,-3.1 4,-4.0 2,-0.2 5,-0.3 0.967 115.6 46.8 -63.2 -48.5 -5.4 76.5 20.9 113 120 A F H X>S+ 0 0 1 -4,-3.7 4,-2.9 2,-0.2 5,-1.7 0.914 115.7 46.1 -54.1 -46.9 -8.5 74.7 22.2 114 121 A I H <5S+ 0 0 33 -4,-2.8 -1,-0.2 2,-0.2 -2,-0.2 0.818 116.9 43.4 -70.4 -31.9 -9.7 74.1 18.6 115 122 A A H <5S+ 0 0 82 -4,-2.9 -2,-0.2 -5,-0.2 -1,-0.2 0.872 120.0 44.0 -74.4 -38.3 -6.2 73.0 17.6 116 123 A D H <5S- 0 0 35 -4,-4.0 -2,-0.2 2,-0.3 -3,-0.2 0.839 95.8-140.6 -67.8 -36.1 -6.0 70.9 20.8 117 124 A E T <5S- 0 0 50 -4,-2.9 14,-2.0 1,-0.3 2,-0.3 0.797 82.9 -1.3 62.6 33.4 -9.5 69.6 20.4 118 125 A G B S+ 0 0 0 10,-0.5 3,-2.1 -2,-0.3 6,-0.3 0.086 74.2 126.7-118.5 19.4 -7.1 71.3 27.0 120 127 A S T 3 S+ 0 0 72 1,-0.3 -1,-0.1 -7,-0.1 7,-0.1 0.793 78.6 49.8 -53.3 -32.3 -3.9 69.6 26.2 121 128 A S T 3 S+ 0 0 72 -3,-0.2 2,-0.7 -9,-0.1 -1,-0.3 0.639 89.3 98.6 -79.8 -15.6 -2.0 72.9 26.4 122 129 A V X - 0 0 17 -3,-2.1 3,-1.2 1,-0.1 -3,-0.1 -0.669 59.9-160.9 -81.8 111.0 -3.6 73.8 29.7 123 130 A R T 3 S+ 0 0 128 -2,-0.7 -1,-0.1 1,-0.2 -3,-0.1 0.535 77.9 84.2 -67.0 -13.7 -1.1 72.9 32.6 124 131 A I T 3 S+ 0 0 98 -5,-0.1 2,-0.3 2,-0.0 -1,-0.2 0.887 100.3 29.2 -56.6 -42.9 -3.9 72.9 35.2 125 132 A W < - 0 0 46 -3,-1.2 2,-0.3 -6,-0.3 0, 0.0 -0.797 69.3-166.7-118.2 162.0 -4.7 69.3 34.2 126 133 A A + 0 0 71 -2,-0.3 -61,-0.1 1,-0.0 -6,-0.0 -0.986 65.2 25.6-144.9 149.1 -2.6 66.4 32.9 127 134 A G S S+ 0 0 25 -2,-0.3 -60,-2.2 -61,-0.1 -57,-0.1 0.485 82.1 112.6 82.3 1.8 -3.4 63.0 31.4 128 135 A E - 0 0 6 -62,-0.2 6,-0.1 1,-0.2 -60,-0.1 0.608 56.8-162.1 -84.3 -7.9 -6.8 64.0 30.1 129 136 A G - 0 0 19 4,-0.1 -10,-0.5 -62,-0.1 -1,-0.2 -0.104 46.1 -38.2 50.2-161.0 -6.0 63.8 26.3 130 137 A S B > -E 118 0B 6 -12,-0.1 4,-2.9 -11,-0.1 -12,-0.2 -0.483 66.0 -98.3 -82.5 164.2 -8.4 65.7 24.0 131 138 A W H > S+ 0 0 5 -14,-2.0 4,-2.2 1,-0.2 5,-0.1 0.893 123.1 39.1 -45.9 -55.8 -12.1 65.8 24.5 132 139 A P H > S+ 0 0 3 0, 0.0 4,-3.0 0, 0.0 5,-0.3 0.896 113.1 53.7 -70.5 -39.7 -12.9 63.0 22.0 133 140 A E H > S+ 0 0 115 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.915 112.4 48.6 -54.8 -40.2 -9.9 60.8 22.9 134 141 A N H X S+ 0 0 0 -4,-2.9 4,-1.4 2,-0.2 -66,-0.4 0.947 113.2 44.1 -64.6 -52.1 -11.2 61.1 26.5 135 142 A I H X S+ 0 0 3 -4,-2.2 4,-1.3 2,-0.2 3,-0.3 0.920 115.2 49.4 -58.0 -53.4 -14.9 60.2 25.6 136 143 A R H ><>S+ 0 0 77 -4,-3.0 5,-2.1 1,-0.2 3,-1.9 0.980 107.3 53.6 -47.3 -61.8 -13.8 57.3 23.4 137 144 A S H 3<5S+ 0 0 7 -4,-2.5 8,-0.2 1,-0.3 -1,-0.2 0.786 117.3 38.4 -49.0 -33.4 -11.4 55.8 26.0 138 145 A W H 3<5S+ 0 0 0 -4,-1.4 -1,-0.3 -3,-0.3 -2,-0.2 0.530 130.1 22.9 -97.0 -9.0 -14.3 55.7 28.5 139 146 A T T X<5S+ 0 0 19 -3,-1.9 3,-1.0 -4,-1.3 4,-0.2 0.589 128.7 13.4-118.7 -86.6 -17.1 54.7 26.2 140 147 A D T 3 5S+ 0 0 99 1,-0.3 3,-0.3 -5,-0.2 -3,-0.1 0.804 134.6 37.6 -74.6 -28.4 -16.6 52.9 22.9 141 148 A S T > + 0 0 4 -3,-1.0 4,-3.3 -6,-0.4 3,-1.2 0.716 65.2 59.1 -58.2 -34.7 -13.5 51.2 27.0 143 150 A H G 34 S+ 0 0 110 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.598 89.1 74.6 -74.2 -14.2 -12.9 47.4 27.0 144 151 A E G <4 S+ 0 0 77 -3,-1.7 -1,-0.3 2,-0.2 -2,-0.2 0.797 119.6 14.7 -65.8 -31.5 -9.4 48.0 25.6 145 152 A S T <4 S+ 0 0 24 -3,-1.2 -2,-0.2 -4,-0.4 -1,-0.1 0.655 142.0 30.5-118.7 -18.5 -8.5 49.2 29.2 146 153 A F >< + 0 0 0 -4,-3.3 3,-1.7 3,-0.1 -2,-0.2 -0.658 64.0 173.9-132.8 84.1 -11.5 47.9 31.3 147 154 A P T 3 S+ 0 0 53 0, 0.0 -4,-0.1 0, 0.0 -69,-0.1 0.664 77.4 51.4 -71.4 -16.0 -12.8 44.7 29.7 148 155 A N T 3 S+ 0 0 110 -71,-0.6 2,-0.3 -68,-0.2 -70,-0.1 0.490 91.4 113.8 -92.9 0.8 -15.3 43.8 32.5 149 156 A A < - 0 0 3 -3,-1.7 2,-0.3 -7,-0.1 -67,-0.2 -0.541 48.2-162.3 -92.8 135.0 -16.9 47.2 32.5 150 157 A A E -d 82 0A 54 -69,-2.1 -67,-1.5 -2,-0.3 2,-0.4 -0.803 21.1-149.3 -96.1 149.0 -20.4 48.5 31.6 151 158 A V E -d 83 0A 47 -2,-0.3 2,-0.4 -69,-0.2 -67,-0.2 -0.936 16.5-168.5-127.6 140.6 -20.8 52.3 30.9 152 159 A L E -d 84 0A 55 -69,-2.4 -67,-2.1 -2,-0.4 2,-0.4 -0.992 16.1-154.4-123.4 121.0 -23.5 54.8 31.4 153 160 A A E -d 85 0A 38 -2,-0.4 2,-0.4 -69,-0.2 -67,-0.2 -0.749 12.3-175.9 -93.0 140.1 -23.0 58.2 29.8 154 161 A V E -d 86 0A 4 -69,-2.5 -67,-3.0 -2,-0.4 2,-0.5 -0.997 17.3-135.6-136.1 140.3 -24.7 61.3 31.1 155 162 A R E >> -d 87 0A 43 -2,-0.4 4,-2.1 -69,-0.2 3,-1.3 -0.766 12.7-139.6 -94.1 128.1 -24.7 64.9 29.8 156 163 A Y H 3> S+ 0 0 56 -69,-3.1 4,-2.1 -2,-0.5 5,-0.2 0.916 108.5 60.4 -35.6 -50.4 -24.3 67.9 32.0 157 164 A E H 3> S+ 0 0 45 -70,-0.3 4,-1.0 1,-0.2 -1,-0.2 0.791 107.1 43.7 -54.0 -34.6 -27.1 69.4 29.7 158 165 A D H <> S+ 0 0 59 -3,-1.3 4,-1.4 2,-0.2 8,-0.2 0.803 109.4 55.3 -82.5 -33.2 -29.5 66.7 30.8 159 166 A L H < S+ 0 0 2 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.828 109.6 48.9 -67.3 -33.7 -28.6 66.8 34.4 160 167 A R H < S+ 0 0 71 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.859 111.3 46.5 -74.3 -36.8 -29.4 70.5 34.4 161 168 A K H < S+ 0 0 91 -4,-1.0 -2,-0.2 1,-0.3 -1,-0.2 0.711 135.4 12.3 -81.1 -21.8 -32.9 70.3 32.7 162 169 A D X + 0 0 51 -4,-1.4 4,-1.7 1,-0.1 -1,-0.3 -0.569 69.5 170.3-150.8 82.6 -34.0 67.4 34.9 163 170 A P H > S+ 0 0 41 0, 0.0 4,-1.2 0, 0.0 5,-0.2 0.878 75.5 51.5 -62.5 -39.4 -31.7 66.9 37.9 164 171 A E H >> S+ 0 0 56 2,-0.2 4,-2.2 1,-0.2 3,-0.8 0.992 115.9 35.4 -63.4 -65.7 -33.9 64.4 39.8 165 172 A G H 3> S+ 0 0 22 1,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.871 115.5 54.9 -57.6 -44.2 -34.5 61.8 37.1 166 173 A E H 3X S+ 0 0 31 -4,-1.7 4,-0.8 -8,-0.2 -1,-0.3 0.798 111.0 47.1 -63.3 -26.9 -31.1 62.1 35.4 167 174 A L H XX S+ 0 0 0 -4,-1.2 4,-2.7 -3,-0.8 3,-0.8 0.933 102.7 59.3 -78.0 -50.1 -29.5 61.4 38.8 168 175 A W H 3X S+ 0 0 52 -4,-2.2 4,-4.1 1,-0.3 5,-0.4 0.888 101.2 58.9 -46.7 -42.3 -31.6 58.4 39.7 169 176 A K H 3X S+ 0 0 114 -4,-1.7 4,-2.8 2,-0.2 -1,-0.3 0.913 108.1 43.5 -53.8 -46.6 -30.3 56.8 36.5 170 177 A V H S+ 0 0 0 -4,-2.7 5,-1.8 2,-0.2 6,-0.2 0.972 115.8 41.8 -56.2 -60.5 -27.9 55.9 41.2 172 179 A D H ><5S+ 0 0 85 -4,-4.1 3,-1.9 1,-0.2 -2,-0.2 0.909 114.9 51.6 -54.5 -47.6 -29.8 53.0 39.9 173 180 A F H 3<5S+ 0 0 45 -4,-2.8 -1,-0.2 -5,-0.4 -2,-0.2 0.951 112.4 45.7 -55.6 -47.8 -27.1 52.2 37.4 174 181 A L T 3<5S- 0 0 0 -4,-3.1 -1,-0.3 -5,-0.2 -2,-0.2 0.356 108.4-131.3 -77.0 6.5 -24.5 52.3 40.2 175 182 A E T < 5 + 0 0 143 -3,-1.9 -3,-0.2 1,-0.1 -2,-0.1 0.875 55.0 150.1 42.7 50.2 -27.0 50.1 42.3 176 183 A L < - 0 0 37 -5,-1.8 2,-0.3 1,-0.3 -1,-0.1 0.530 58.8 -88.4 -90.1 -7.2 -26.6 52.5 45.2 177 184 A G S S- 0 0 42 -6,-0.2 -1,-0.3 -5,-0.1 -2,-0.1 -0.950 70.1 -5.1 138.1-156.1 -30.1 51.9 46.6 178 185 A G - 0 0 38 -2,-0.3 3,-0.3 1,-0.1 4,-0.2 -0.099 56.2-115.5 -73.4 168.5 -33.6 53.2 46.3 179 186 A R S S+ 0 0 143 1,-0.2 4,-0.3 2,-0.1 3,-0.1 0.401 96.3 86.1 -79.2 3.1 -35.0 56.2 44.3 180 187 A D S > S+ 0 0 143 1,-0.2 3,-0.6 2,-0.1 4,-0.4 0.918 80.3 50.0 -82.3 -46.6 -36.0 57.9 47.5 181 188 A G T 3> S+ 0 0 33 -3,-0.3 4,-2.3 1,-0.2 3,-0.4 0.744 87.6 93.4 -60.5 -23.2 -33.0 59.9 48.7 182 189 A V H 3> S+ 0 0 6 -4,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.771 83.3 44.7 -45.7 -49.0 -32.6 61.4 45.2 183 190 A A H <> S+ 0 0 59 -3,-0.6 4,-2.0 -4,-0.3 -1,-0.2 0.923 116.1 44.8 -66.7 -46.9 -34.5 64.7 45.6 184 191 A D H > S+ 0 0 77 -4,-0.4 4,-1.5 -3,-0.4 -1,-0.2 0.802 117.1 48.7 -66.9 -28.3 -33.0 65.6 49.0 185 192 A A H X S+ 0 0 3 -4,-2.3 4,-0.6 2,-0.2 -2,-0.2 0.845 111.7 46.5 -77.7 -38.6 -29.6 64.6 47.5 186 193 A V H < S+ 0 0 23 -4,-2.8 3,-0.4 -5,-0.3 -2,-0.2 0.839 109.9 62.4 -62.9 -32.6 -30.3 66.7 44.4 187 194 A A H < S+ 0 0 58 -4,-2.0 -2,-0.2 1,-0.2 6,-0.2 0.908 96.5 49.8 -67.2 -50.0 -31.4 69.4 46.9 188 195 A N H < S+ 0 0 38 -4,-1.5 2,-0.5 -169,-0.1 -1,-0.2 0.682 104.3 67.6 -68.3 -16.8 -28.2 70.0 48.9 189 196 A a < + 0 0 3 -4,-0.6 2,-0.3 -3,-0.4 -174,-0.0 -0.917 67.8 152.4-103.8 129.7 -26.2 70.5 45.7 190 197 A T >> - 0 0 57 -2,-0.5 4,-4.0 1,-0.0 5,-0.6 -0.972 62.6-110.3-159.8 134.6 -27.1 73.6 43.7 191 198 A L T 45S+ 0 0 88 -2,-0.3 -2,-0.0 1,-0.2 -176,-0.0 0.540 129.2 35.2 -44.2 -6.9 -25.5 76.0 41.3 192 199 A E T >5S+ 0 0 66 3,-0.1 4,-2.0 2,-0.1 -1,-0.2 0.701 118.3 45.4-107.7 -56.4 -25.9 78.2 44.4 193 200 A R H >5S+ 0 0 55 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.749 113.1 55.1 -62.5 -27.5 -25.3 75.8 47.4 194 201 A M H X5S+ 0 0 19 -4,-4.0 4,-2.5 2,-0.2 -1,-0.2 0.953 105.9 49.6 -62.9 -57.9 -22.3 74.5 45.5 195 202 A R H >< S+ 0 0 125 -4,-2.6 3,-1.7 1,-0.2 -1,-0.2 0.954 114.6 49.6 -51.8 -51.3 -11.6 78.1 50.8 203 210 A L H 3< S+ 0 0 123 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.822 108.6 50.3 -59.8 -39.8 -12.2 80.5 53.7 204 211 A L H 3< S- 0 0 131 -4,-2.6 2,-0.7 -5,-0.3 -1,-0.3 0.539 119.8-110.6 -70.3 -6.6 -11.5 77.9 56.4 205 212 A G S << S+ 0 0 49 -3,-1.7 -1,-0.2 -4,-0.5 0, 0.0 -0.897 72.3 133.5 106.1 -95.4 -8.2 77.1 54.6 206 213 A L - 0 0 74 -2,-0.7 -1,-0.2 -3,-0.1 -2,-0.0 0.712 67.0 -77.6 21.3 146.8 -9.1 73.5 53.3 207 214 A E - 0 0 75 1,-0.0 2,-0.3 0, 0.0 -175,-0.1 -0.331 58.4-172.0 -65.1 150.3 -8.6 72.3 49.7 208 215 A T 0 0 54 1,-0.2 -10,-0.1 -176,-0.1 -9,-0.0 -0.953 360.0 360.0-152.8 161.0 -11.1 73.5 47.1 209 216 A T 0 0 88 -2,-0.3 -1,-0.2 -195,-0.0 0, 0.0 0.693 360.0 360.0 54.2 360.0 -12.5 73.3 43.5 210 ! 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 0.0 211 237 A S 0 0 120 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 118.6 -22.5 82.4 25.2 212 238 A L > + 0 0 75 1,-0.1 4,-0.7 3,-0.1 3,-0.2 0.985 360.0 48.8 -85.9 -71.4 -20.3 82.0 22.1 213 239 A K T 4 S+ 0 0 74 1,-0.2 2,-1.6 2,-0.2 -1,-0.1 0.523 73.2 108.5 -61.9 -10.9 -20.2 84.8 19.5 214 240 A F T 4 S+ 0 0 69 1,-0.2 -1,-0.2 2,-0.1 -2,-0.1 0.317 109.0 1.5 -48.7 13.3 -19.6 87.6 22.1 215 241 A M T 4 S+ 0 0 65 -2,-1.6 3,-0.3 -3,-0.2 -1,-0.2 0.174 119.7 82.1-170.0 -59.7 -16.1 87.7 20.6 216 242 A G < + 0 0 8 -4,-0.7 2,-1.9 1,-0.2 -3,-0.1 0.859 24.0 131.5 -28.1-112.5 -16.0 85.2 17.7 217 243 A D S > S+ 0 0 87 1,-0.2 4,-0.9 0, 0.0 -1,-0.2 -0.604 97.6 36.4 69.2 -72.0 -17.3 86.0 14.2 218 244 A D T 4 S+ 0 0 121 -2,-1.9 4,-0.4 -3,-0.3 -1,-0.2 0.814 118.6 51.4 -72.2 -33.9 -14.1 84.6 12.8 219 245 A I T >> S+ 0 0 33 1,-0.2 3,-2.3 2,-0.2 4,-2.3 0.933 99.1 65.0 -65.8 -48.1 -13.9 81.9 15.5 220 246 A E H 3> S+ 0 0 51 1,-0.3 4,-2.8 2,-0.2 5,-0.3 0.843 97.6 53.3 -47.4 -47.8 -17.4 80.6 14.8 221 247 A K H 3< S+ 0 0 77 -4,-0.9 -1,-0.3 1,-0.2 4,-0.2 0.678 114.1 44.3 -63.1 -20.1 -16.7 79.5 11.2 222 248 A A H <> S+ 0 0 46 -3,-2.3 4,-1.9 -4,-0.4 -2,-0.2 0.817 112.0 49.7 -92.6 -39.0 -13.8 77.4 12.6 223 249 A Y H X S+ 0 0 27 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.914 113.0 47.6 -63.8 -43.2 -15.6 75.9 15.6 224 250 A A H X S+ 0 0 40 -4,-2.8 4,-2.0 -5,-0.2 -1,-0.2 0.690 108.1 56.0 -72.7 -20.5 -18.5 74.9 13.4 225 251 A D H 4 S+ 0 0 61 -5,-0.3 -1,-0.2 2,-0.2 -2,-0.2 0.871 112.6 41.3 -75.2 -40.1 -16.0 73.4 10.9 226 252 A L H >< S+ 0 0 20 -4,-1.9 3,-0.9 1,-0.2 8,-0.4 0.895 115.8 54.0 -65.4 -41.7 -14.6 71.2 13.7 227 253 A L H 3< S+ 0 0 20 -4,-2.7 -2,-0.2 1,-0.2 -3,-0.2 0.848 121.1 26.1 -64.2 -40.7 -18.2 70.7 14.9 228 254 A H T 3< S+ 0 0 121 -4,-2.0 -1,-0.2 1,-0.1 -2,-0.1 -0.280 98.0 104.8-116.9 47.1 -19.5 69.4 11.5 229 255 A G S < S- 0 0 20 -3,-0.9 -1,-0.1 2,-0.2 -2,-0.1 0.000 85.7-109.8-130.8 32.8 -16.3 68.0 10.1 230 256 A E S S+ 0 0 193 1,-0.1 2,-0.5 -3,-0.1 -3,-0.1 0.734 78.0 124.8 48.8 30.2 -15.9 64.2 10.1 231 257 A T S >> S- 0 0 41 -5,-0.4 3,-2.6 1,-0.0 4,-0.7 -0.986 79.5-106.3-122.5 118.4 -13.2 64.4 12.8 232 258 A D H 3> S+ 0 0 56 -2,-0.5 4,-2.4 1,-0.3 5,-0.2 0.483 120.7 60.0 -15.1 -39.2 -13.7 62.3 16.0 233 259 A F H 3> S+ 0 0 0 2,-0.2 4,-3.0 1,-0.2 -1,-0.3 0.978 109.0 42.8 -51.7 -61.5 -14.6 65.5 17.9 234 260 A A H <> S+ 0 0 6 -3,-2.6 4,-4.1 -8,-0.4 -2,-0.2 0.857 110.0 58.8 -54.7 -40.9 -17.5 66.2 15.5 235 261 A H H X S+ 0 0 83 -4,-0.7 4,-2.6 2,-0.2 -1,-0.2 0.975 112.1 38.3 -51.4 -56.6 -18.3 62.5 15.7 236 262 A Y H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.803 116.7 52.0 -71.5 -30.6 -18.8 62.8 19.5 237 263 A A H <>S+ 0 0 1 -4,-3.0 5,-2.7 2,-0.2 6,-0.3 0.926 110.1 49.8 -62.3 -46.9 -20.4 66.3 19.1 238 264 A R H ><5S+ 0 0 94 -4,-4.1 3,-1.1 1,-0.2 5,-0.3 0.964 114.5 46.3 -53.2 -51.1 -22.8 64.7 16.5 239 265 A L H 3<5S+ 0 0 91 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.818 113.1 43.2 -66.6 -44.0 -23.6 61.9 19.0 240 266 A Y T 3<5S- 0 0 42 -4,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 0.095 119.0-102.3 -99.3 25.1 -24.2 63.8 22.3 241 267 A G T < 5S+ 0 0 49 -3,-1.1 -3,-0.2 -4,-0.2 -2,-0.1 0.753 76.6 135.6 75.7 32.6 -26.3 66.4 20.6 242 268 A Y < 0 0 9 -5,-2.7 -4,-0.2 -6,-0.2 -1,-0.1 0.067 360.0 360.0-101.2 27.2 -23.9 69.4 20.2 243 269 A A 0 0 98 -6,-0.3 -1,-0.1 -5,-0.3 -5,-0.0 -0.406 360.0 360.0 -79.7 360.0 -24.9 70.2 16.6