==== 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 OXIDOREDUCTASE 18-JUL-06 2HQ2 . COMPND 2 MOLECULE: PUTATIVE HEME/HEMOGLOBIN TRANSPORT PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR M.D.L.SUITS,N.JAFFER,Z.JIA,MONTREAL-KINGSTON BACTERIAL STRUC . 331 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15917.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 226 68.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 95 28.7 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 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 1.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 22 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 72 21.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 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 0 0 0 3 3 0 1 1 2 0 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 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 1 3 6 2 2 0 1 1 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 1 0 1 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 0 A S 0 0 117 0, 0.0 2,-1.9 0, 0.0 36,-0.0 0.000 360.0 360.0 360.0 68.6 1.4 -28.1 9.5 2 1 A M > + 0 0 102 1,-0.1 4,-2.3 35,-0.1 5,-0.2 -0.176 360.0 80.4 54.0 -36.7 -0.5 -25.6 7.3 3 2 A N H > S+ 0 0 113 -2,-1.9 4,-2.3 1,-0.2 5,-0.2 0.869 85.0 54.1 -59.2 -36.2 -0.7 -23.9 10.7 4 3 A H H > S+ 0 0 60 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.897 108.6 48.6 -64.8 -40.6 2.8 -22.6 10.3 5 4 A Y H > S+ 0 0 42 2,-0.2 4,-2.2 -3,-0.2 -2,-0.2 0.956 113.4 46.8 -62.2 -50.8 1.9 -21.0 6.9 6 5 A T H X S+ 0 0 75 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.879 113.3 48.8 -50.9 -49.0 -1.3 -19.4 8.4 7 6 A R H X S+ 0 0 103 -4,-2.3 4,-2.6 -5,-0.2 -1,-0.2 0.859 107.5 54.5 -68.7 -36.8 0.6 -18.1 11.4 8 7 A W H X S+ 0 0 26 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.916 107.6 50.9 -60.5 -41.8 3.3 -16.7 9.2 9 8 A L H X S+ 0 0 83 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.914 113.0 46.3 -62.8 -41.6 0.7 -14.7 7.3 10 9 A E H X S+ 0 0 103 -4,-2.1 4,-1.6 1,-0.2 -2,-0.2 0.928 114.8 45.0 -64.4 -46.8 -0.7 -13.4 10.6 11 10 A L H X S+ 0 0 7 -4,-2.6 4,-1.6 1,-0.2 -2,-0.2 0.842 110.8 54.2 -71.7 -31.8 2.6 -12.4 12.1 12 11 A K H < S+ 0 0 30 -4,-2.2 6,-0.2 2,-0.2 -1,-0.2 0.936 111.2 43.9 -65.6 -47.5 3.9 -10.8 8.9 13 12 A E H < S+ 0 0 168 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.811 117.3 47.4 -70.1 -28.5 0.9 -8.5 8.6 14 13 A Q H < S+ 0 0 116 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.721 120.2 39.3 -79.3 -25.6 1.2 -7.8 12.4 15 14 A N S >< S+ 0 0 42 -4,-1.6 3,-1.5 -5,-0.1 -1,-0.2 -0.614 71.3 177.1-130.5 69.9 4.9 -7.2 12.1 16 15 A P T 3 S+ 0 0 106 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.455 75.5 39.9 -62.7 149.4 5.8 -5.3 8.9 17 16 A G T 3 S+ 0 0 76 1,-0.3 2,-0.4 -2,-0.1 -5,-0.1 0.293 95.1 103.2 84.8 -11.9 9.5 -4.6 8.9 18 17 A K < - 0 0 81 -3,-1.5 -1,-0.3 -6,-0.2 2,-0.1 -0.892 62.1-147.8-100.2 140.0 10.2 -8.1 10.3 19 18 A Y > - 0 0 51 -2,-0.4 4,-2.2 -3,-0.1 3,-0.3 -0.377 31.5 -86.2-102.9 176.7 11.4 -10.7 7.8 20 19 A A H > S+ 0 0 15 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.851 124.6 52.9 -51.3 -43.6 11.0 -14.4 7.4 21 20 A R H > S+ 0 0 35 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.926 111.1 47.4 -62.0 -43.8 14.0 -15.2 9.7 22 21 A D H > S+ 0 0 46 -3,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.867 112.3 48.5 -64.7 -39.7 12.5 -13.1 12.5 23 22 A I H X S+ 0 0 0 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.898 108.8 52.7 -72.6 -38.5 9.0 -14.6 12.1 24 23 A A H <>S+ 0 0 2 -4,-2.6 5,-2.2 -5,-0.2 4,-0.3 0.926 109.4 51.9 -56.9 -43.2 10.4 -18.1 12.1 25 24 A G H ><5S+ 0 0 43 -4,-2.0 3,-1.3 1,-0.2 -2,-0.2 0.910 106.5 51.5 -58.6 -43.6 12.1 -17.1 15.4 26 25 A L H 3<5S+ 0 0 82 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.832 111.9 48.4 -61.5 -33.0 8.8 -15.8 16.9 27 26 A M T 3<5S- 0 0 28 -4,-1.8 -1,-0.3 2,-0.1 -2,-0.2 0.423 111.1-123.3 -88.1 -2.9 7.3 -19.2 16.0 28 27 A N T < 5S+ 0 0 152 -3,-1.3 2,-0.3 -4,-0.3 -3,-0.2 0.803 73.0 118.6 60.4 35.1 10.2 -21.1 17.5 29 28 A I S > - 0 0 123 -2,-0.3 3,-1.1 1,-0.1 4,-1.1 -0.545 32.9-116.4 -80.5 153.0 13.9 -23.0 11.9 31 30 A E H 3> S+ 0 0 11 1,-0.3 4,-2.3 2,-0.2 3,-0.4 0.848 114.4 60.5 -64.3 -32.6 13.7 -20.9 8.8 32 31 A A H 3> S+ 0 0 0 100,-2.5 4,-2.4 1,-0.2 -1,-0.3 0.834 101.2 56.5 -61.0 -30.4 13.9 -23.9 6.5 33 32 A E H <> S+ 0 0 65 -3,-1.1 4,-1.9 99,-0.3 -1,-0.2 0.822 105.4 50.1 -70.4 -31.6 10.6 -25.1 8.2 34 33 A L H X S+ 0 0 1 -4,-1.1 4,-1.4 -3,-0.4 -2,-0.2 0.924 110.8 48.4 -70.7 -43.8 9.0 -21.8 7.2 35 34 A A H X S+ 0 0 3 -4,-2.3 4,-0.6 1,-0.2 3,-0.5 0.940 111.2 51.9 -57.4 -43.9 10.2 -22.2 3.6 36 35 A F H >< S+ 0 0 67 -4,-2.4 3,-1.2 1,-0.2 -1,-0.2 0.905 107.8 51.2 -59.7 -44.4 8.8 -25.8 3.8 37 36 A A H 3< S+ 0 0 17 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.770 103.8 59.8 -63.9 -26.5 5.4 -24.5 5.0 38 37 A R H >X>S+ 0 0 5 -4,-1.4 3,-2.1 -3,-0.5 5,-1.6 0.601 76.8 113.4 -81.8 -11.2 5.3 -22.1 2.2 39 38 A V B <<5S+a 43 0A 20 -3,-1.2 5,-0.2 -4,-0.6 3,-0.0 -0.395 78.5 29.6 -61.8 142.0 5.4 -24.8 -0.4 40 39 A T T 345S+ 0 0 122 3,-1.1 -1,-0.3 1,-0.1 4,-0.1 0.266 126.5 52.0 79.0 -2.0 2.1 -24.9 -2.4 41 40 A H T <45S- 0 0 60 -3,-2.1 -2,-0.2 2,-0.3 -1,-0.1 0.577 134.4 -27.7-119.2 -83.8 1.8 -21.2 -1.7 42 41 A D T <5S+ 0 0 29 -4,-1.1 72,-2.3 -7,-0.1 2,-0.3 0.158 117.1 74.2-128.3 18.0 4.8 -19.0 -2.7 43 42 A A E < -aB 39 113A 1 -5,-1.6 -3,-1.1 70,-0.2 2,-0.4 -0.934 53.9-164.3-128.8 154.9 7.7 -21.5 -2.3 44 43 A W E - B 0 112A 93 68,-2.4 68,-2.9 -2,-0.3 2,-0.1 -0.998 24.0-122.2-136.6 130.0 8.8 -24.5 -4.4 45 44 A R E - B 0 111A 25 113,-0.5 113,-2.5 -2,-0.4 2,-0.3 -0.453 26.8-156.7 -68.6 144.4 11.3 -27.2 -3.3 46 45 A M E -CB 157 110A 5 64,-2.5 64,-0.6 111,-0.3 2,-0.3 -0.895 9.5-173.1-118.5 153.7 14.4 -27.7 -5.4 47 46 A H + 0 0 108 109,-2.5 2,-0.2 -2,-0.3 62,-0.0 -0.952 26.8 92.4-140.4 161.5 16.6 -30.7 -5.7 48 47 A G S S- 0 0 48 -2,-0.3 2,-0.2 4,-0.0 108,-0.1 -0.623 77.6 -44.5 137.6 166.6 19.9 -31.6 -7.3 49 48 A D > - 0 0 86 -2,-0.2 4,-2.2 1,-0.2 3,-0.3 -0.436 52.8-135.3 -62.6 127.2 23.6 -31.8 -6.8 50 49 A I H > S+ 0 0 28 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.893 103.1 51.4 -59.5 -40.5 24.5 -28.6 -4.9 51 50 A R H > S+ 0 0 78 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.878 109.1 51.7 -63.5 -34.8 27.6 -27.9 -7.0 52 51 A E H > S+ 0 0 87 -3,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.875 110.4 48.4 -68.5 -37.5 25.5 -28.3 -10.2 53 52 A I H X S+ 0 0 1 -4,-2.2 4,-1.3 2,-0.2 -2,-0.2 0.951 112.9 47.4 -66.9 -46.5 22.9 -25.8 -8.9 54 53 A L H >X S+ 0 0 0 -4,-2.5 4,-0.5 1,-0.2 3,-0.5 0.924 111.6 50.7 -62.4 -41.1 25.6 -23.3 -7.9 55 54 A A H >< S+ 0 0 48 -4,-2.5 3,-1.3 1,-0.2 4,-0.4 0.890 105.4 57.5 -62.8 -38.5 27.3 -23.7 -11.3 56 55 A A H >< S+ 0 0 9 -4,-2.0 3,-1.6 1,-0.2 4,-0.3 0.803 92.8 69.4 -61.5 -29.0 23.9 -23.1 -13.0 57 56 A L H X< S+ 0 0 0 -4,-1.3 3,-1.4 -3,-0.5 4,-0.4 0.763 82.3 72.4 -64.7 -21.8 23.7 -19.8 -11.2 58 57 A E G X< S+ 0 0 101 -3,-1.3 3,-1.0 -4,-0.5 -1,-0.3 0.855 90.6 61.5 -57.1 -30.4 26.5 -18.5 -13.4 59 58 A S G < S+ 0 0 66 -3,-1.6 -1,-0.2 -4,-0.4 -2,-0.2 0.652 93.7 61.8 -71.4 -18.0 24.0 -18.5 -16.3 60 59 A V G < S- 0 0 0 -3,-1.4 85,-2.6 -4,-0.3 -1,-0.2 0.583 88.2-152.9 -90.2 -10.0 21.6 -15.9 -14.7 61 60 A G < + 0 0 27 -3,-1.0 19,-0.4 -4,-0.4 -1,-0.3 -0.484 58.6 30.8 75.7-141.0 24.0 -13.0 -14.5 62 61 A E + 0 0 61 81,-0.4 79,-0.5 -2,-0.2 2,-0.3 -0.214 65.9 165.0 -59.1 138.3 23.5 -10.3 -11.8 63 62 A T E -D 78 0A 0 15,-2.1 15,-2.5 77,-0.1 2,-0.5 -0.910 35.9-127.0-138.2 167.6 22.0 -11.4 -8.5 64 63 A K E -DE 77 139A 79 75,-2.3 75,-2.9 -2,-0.3 2,-0.4 -0.987 31.2-162.3-117.8 116.9 21.7 -9.8 -5.0 65 64 A C E -DE 76 138A 0 11,-3.1 11,-2.6 -2,-0.5 2,-0.5 -0.848 8.1-163.2-106.4 134.1 23.0 -12.3 -2.5 66 65 A I E +DE 75 137A 31 71,-2.7 71,-2.1 -2,-0.4 2,-0.4 -0.971 11.1 173.7-118.9 124.2 22.4 -12.1 1.2 67 66 A C E +D 74 0A 0 7,-2.3 7,-2.3 -2,-0.5 2,-0.3 -0.993 18.8 155.1-125.4 133.2 24.5 -14.1 3.7 68 67 A R E -D 73 0A 37 -2,-0.4 2,-0.2 67,-0.3 5,-0.2 -0.939 34.9-150.3-150.0 166.5 24.0 -13.6 7.4 69 68 A N - 0 0 8 3,-2.4 3,-0.2 -2,-0.3 172,-0.1 -0.664 56.9 -81.2-119.8-171.8 24.1 -14.8 11.0 70 69 A E S S+ 0 0 101 -2,-0.2 3,-0.1 1,-0.2 236,-0.1 0.843 128.0 33.0 -57.4 -29.8 21.8 -13.8 13.8 71 70 A Y S S+ 0 0 47 1,-0.2 203,-2.7 234,-0.1 2,-0.3 0.526 118.1 40.0-113.0 -10.7 23.7 -10.5 14.4 72 71 A A E - F 0 273A 0 -3,-0.2 -3,-2.4 201,-0.2 2,-0.4 -0.995 56.6-160.4-148.8 138.8 25.0 -9.3 11.0 73 72 A V E -DF 68 272A 12 199,-2.7 199,-2.3 -2,-0.3 2,-0.5 -0.976 6.4-164.5-124.6 130.4 23.5 -9.3 7.5 74 73 A H E -DF 67 271A 0 -7,-2.3 -7,-2.3 -2,-0.4 2,-0.5 -0.969 5.1-173.3-123.5 120.5 25.7 -8.9 4.4 75 74 A E E +DF 66 270A 36 195,-2.8 195,-2.3 -2,-0.5 2,-0.4 -0.974 7.3 175.2-120.7 125.8 24.1 -8.1 1.0 76 75 A Q E -DF 65 269A 0 -11,-2.6 -11,-3.1 -2,-0.5 2,-0.4 -0.993 21.5-147.3-137.0 128.8 26.2 -8.1 -2.2 77 76 A V E +D 64 0A 37 191,-2.7 2,-0.3 -2,-0.4 -13,-0.2 -0.766 52.4 91.4 -88.2 134.1 25.2 -7.5 -5.8 78 77 A G E -D 63 0A 10 -15,-2.5 -15,-2.1 -2,-0.4 2,-0.3 -0.993 64.0 -67.8 168.8-163.9 27.2 -9.5 -8.3 79 78 A T - 0 0 47 -2,-0.3 2,-1.8 -17,-0.2 19,-0.2 -0.867 30.1-120.1-124.9 147.6 27.7 -12.7 -10.3 80 79 A F + 0 0 0 -19,-0.4 3,-0.2 -23,-0.4 2,-0.2 -0.337 67.7 137.5 -78.5 55.8 28.4 -16.4 -9.7 81 80 A T + 0 0 41 -2,-1.8 12,-0.1 1,-0.2 -2,-0.0 -0.530 46.5 32.6 -99.0 165.3 31.5 -16.2 -11.8 82 81 A N S S- 0 0 75 -2,-0.2 11,-2.5 1,-0.2 2,-0.3 0.932 77.5-173.1 54.8 54.6 35.0 -17.7 -11.2 83 82 A Q E +K 92 0B 38 -3,-0.2 9,-0.2 9,-0.2 -1,-0.2 -0.616 24.3 172.3 -83.7 137.7 33.8 -20.8 -9.4 84 83 A H E +K 91 0B 98 7,-3.1 7,-1.7 -2,-0.3 5,-0.1 -0.694 20.0 149.9-140.3 76.8 36.2 -23.2 -7.7 85 84 A L + 0 0 10 5,-0.3 19,-0.1 -2,-0.2 2,-0.1 0.439 37.4 95.5 -94.7 -3.7 33.8 -25.6 -5.8 86 85 A N S S+ 0 0 128 5,-0.1 3,-0.3 -35,-0.0 5,-0.1 -0.377 72.5 13.9 -94.9 167.5 35.7 -28.8 -5.8 87 86 A G S S- 0 0 60 1,-0.2 -3,-0.0 -2,-0.1 0, 0.0 -0.165 114.8 -6.8 61.0-159.7 37.9 -30.3 -3.1 88 87 A H S S- 0 0 118 15,-0.1 2,-0.3 2,-0.0 -1,-0.2 0.716 127.1 -6.4 -52.5 -56.1 38.3 -29.1 0.5 89 88 A A S S- 0 0 43 -3,-0.3 2,-0.2 14,-0.1 14,-0.2 -0.920 75.8-120.3-130.5 158.9 36.2 -25.9 0.7 90 89 A G E - L 0 102B 3 12,-3.0 12,-2.7 -2,-0.3 2,-0.3 -0.618 25.0-172.1 -97.6 154.6 34.5 -24.1 -2.1 91 90 A L E -KL 84 101B 50 -7,-1.7 -7,-3.1 -2,-0.2 2,-0.5 -0.998 24.9-158.8-145.5 154.5 34.9 -20.6 -3.4 92 91 A I E -KL 83 100B 0 8,-2.4 8,-2.1 -2,-0.3 2,-0.9 -0.983 32.4-153.7-122.2 105.6 33.3 -18.2 -5.8 93 92 A L + 0 0 56 -11,-2.5 6,-0.2 -2,-0.5 5,-0.1 -0.758 42.1 130.2-102.3 97.7 36.2 -15.8 -6.3 94 93 A N > - 0 0 26 -2,-0.9 3,-2.5 3,-0.1 -1,-0.1 -0.614 42.2-151.5-142.4 78.9 35.4 -12.2 -7.2 95 94 A P T 3 S+ 0 0 74 0, 0.0 3,-0.1 0, 0.0 153,-0.1 -0.285 85.4 15.5 -53.6 132.9 37.2 -9.7 -5.0 96 95 A R T 3 S+ 0 0 123 1,-0.3 2,-0.1 151,-0.2 152,-0.1 0.330 131.7 48.7 77.7 0.2 35.1 -6.5 -4.7 97 96 A A S < S- 0 0 32 -3,-2.5 2,-0.8 150,-0.1 -1,-0.3 -0.190 119.9 -15.2-133.7-136.4 32.0 -8.2 -6.1 98 97 A L + 0 0 0 -19,-0.2 2,-0.5 -3,-0.1 -17,-0.2 -0.681 69.4 170.0 -82.8 111.8 30.4 -11.5 -5.1 99 98 A D + 0 0 3 -2,-0.8 148,-2.6 148,-0.3 2,-0.4 -0.957 5.8 171.8-133.4 104.3 33.1 -13.3 -3.1 100 99 A L E -LM 92 246B 0 -8,-2.1 -8,-2.4 -2,-0.5 2,-0.4 -0.916 25.3-159.3-125.3 144.8 32.0 -16.4 -1.2 101 100 A R E -LM 91 245B 58 144,-2.6 144,-2.3 -2,-0.4 2,-0.4 -0.988 24.0-160.4-121.2 129.0 33.6 -19.2 0.7 102 101 A L E -LM 90 244B 0 -12,-2.7 -12,-3.0 -2,-0.4 2,-0.8 -0.940 26.5-165.5-124.8 131.3 31.6 -22.3 1.0 103 102 A F > - 0 0 89 140,-2.6 3,-2.1 -2,-0.4 4,-0.2 -0.805 20.9-174.9-109.3 85.3 31.6 -25.3 3.3 104 103 A L G > + 0 0 13 -2,-0.8 3,-1.6 1,-0.3 -1,-0.1 0.648 69.8 74.5 -69.6 -16.6 29.4 -27.5 1.2 105 104 A N G 3 S+ 0 0 136 1,-0.3 -1,-0.3 -3,-0.1 138,-0.1 0.695 95.5 56.5 -64.0 -17.3 29.1 -30.4 3.6 106 105 A Q G < S+ 0 0 63 -3,-2.1 24,-0.7 137,-0.1 2,-0.5 0.552 81.2 105.6 -86.7 -7.3 26.7 -28.1 5.5 107 106 A W E < + G 0 129A 25 -3,-1.6 22,-0.2 -4,-0.2 -57,-0.1 -0.626 35.3 151.1 -88.5 121.2 24.3 -27.5 2.6 108 107 A A E + 0 0 50 20,-2.7 2,-0.3 -2,-0.5 21,-0.2 0.807 50.2 19.1-118.8 -49.3 21.1 -29.4 3.0 109 108 A S E - G 0 128A 11 19,-1.9 19,-2.8 -62,-0.0 2,-0.4 -0.951 52.0-161.0-135.4 157.4 17.9 -28.0 1.4 110 109 A V E -BG 46 127A 14 -64,-0.6 -64,-2.5 -2,-0.3 2,-0.3 -1.000 8.7-178.9-143.1 135.4 17.0 -25.5 -1.3 111 110 A F E -BG 45 126A 0 15,-2.5 15,-3.2 -2,-0.4 2,-0.5 -0.988 20.7-140.3-134.7 146.2 13.8 -23.6 -2.1 112 111 A H E -BG 44 125A 7 -68,-2.9 -68,-2.4 -2,-0.3 2,-0.4 -0.900 21.2-165.1 -97.2 134.7 12.6 -21.1 -4.6 113 112 A I E -BG 43 124A 1 11,-2.1 11,-2.3 -2,-0.5 2,-0.5 -0.983 14.9-180.0-122.0 129.5 10.5 -18.3 -3.3 114 113 A K E + G 0 123A 86 -72,-2.3 2,-0.3 -2,-0.4 9,-0.2 -0.940 29.9 164.7-125.3 105.3 8.3 -16.1 -5.5 115 114 A E E - 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0 0 26 -113,-2.5 -113,-0.5 -2,-0.2 -2,-0.0 -0.951 29.0-142.2-125.7 149.4 10.5 -30.7 -7.8 159 158 A D S S+ 0 0 164 -2,-0.3 2,-0.7 -115,-0.1 -1,-0.1 0.624 82.1 93.3 -81.0 -13.0 6.9 -31.2 -6.8 160 159 A E - 0 0 139 -115,-0.1 2,-0.9 1,-0.1 -2,-0.1 -0.722 56.3-171.3 -84.6 113.8 8.2 -33.6 -4.0 161 160 A N - 0 0 41 -2,-0.7 3,-0.1 -116,-0.0 -1,-0.1 -0.714 18.0-166.5-105.6 80.2 8.6 -31.7 -0.8 162 161 A T - 0 0 75 -2,-0.9 -2,-0.0 1,-0.1 0, 0.0 -0.245 31.9 -79.8 -74.1 153.1 10.4 -34.4 1.3 163 162 A P - 0 0 94 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.188 32.9-137.2 -54.8 140.3 10.8 -34.2 5.1 164 163 A L - 0 0 39 -3,-0.1 -32,-0.1 1,-0.0 -2,-0.1 0.772 17.0-156.9 -72.4 -30.7 13.7 -32.0 6.3 165 164 A E - 0 0 148 1,-0.1 -1,-0.0 -34,-0.0 -3,-0.0 0.915 20.3-160.2 49.7 53.8 15.0 -34.3 9.0 166 165 A L - 0 0 52 -35,-0.1 2,-0.3 1,-0.1 -35,-0.2 -0.221 5.7-156.5 -65.4 151.3 16.7 -31.5 10.9 167 166 A K - 0 0 140 -37,-2.2 -1,-0.1 1,-0.0 2,-0.0 -0.907 16.3-106.2-131.8 153.2 19.4 -32.2 13.4 168 167 A A 0 0 89 -2,-0.3 -38,-0.0 1,-0.1 -1,-0.0 -0.316 360.0 360.0 -67.3 157.5 21.0 -30.6 16.4 169 168 A V 0 0 160 -38,-0.1 -1,-0.1 -2,-0.0 0, 0.0 -0.350 360.0 360.0 -56.5 360.0 24.5 -29.0 16.3 170 ! 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 0.0 171 176 A R 0 0 160 0, 0.0 2,-0.1 0, 0.0 28,-0.0 0.000 360.0 360.0 360.0 92.0 42.6 -27.4 28.7 172 177 A A - 0 0 31 25,-0.1 2,-0.5 1,-0.1 25,-0.0 -0.350 360.0-107.0 -78.6 159.4 45.3 -26.7 26.1 173 178 A D > - 0 0 91 1,-0.1 4,-1.9 -2,-0.1 3,-0.3 -0.785 22.3-147.0 -95.2 126.2 48.8 -25.5 27.0 174 179 A A H > S+ 0 0 34 -2,-0.5 4,-2.5 1,-0.2 5,-0.2 0.796 92.0 58.0 -66.5 -35.6 49.2 -21.8 26.1 175 180 A T H > S+ 0 0 88 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.919 109.7 45.1 -61.6 -43.1 52.9 -21.9 25.2 176 181 A V H > S+ 0 0 45 -3,-0.3 4,-2.5 2,-0.2 5,-0.2 0.908 112.6 49.8 -68.1 -44.0 52.4 -24.6 22.5 177 182 A V H X S+ 0 0 0 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.938 114.3 46.4 -60.0 -45.1 49.3 -22.9 21.1 178 183 A E H X S+ 0 0 48 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.932 111.7 50.1 -62.6 -46.8 51.3 -19.6 20.9 179 184 A Q H X S+ 0 0 125 -4,-2.5 4,-1.0 1,-0.2 -1,-0.2 0.907 113.4 45.4 -62.8 -41.2 54.4 -21.2 19.4 180 185 A E H X S+ 0 0 63 -4,-2.5 4,-0.5 2,-0.2 -1,-0.2 0.858 110.4 54.5 -69.8 -35.0 52.4 -22.9 16.7 181 186 A W H >< S+ 0 0 0 -4,-2.2 3,-1.5 -5,-0.2 -2,-0.2 0.962 109.7 46.9 -59.6 -50.8 50.4 -19.8 16.0 182 187 A R H 3< S+ 0 0 111 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.725 108.5 58.1 -64.6 -22.2 53.7 -17.8 15.4 183 188 A A H 3< S+ 0 0 73 -4,-1.0 -1,-0.3 -5,-0.2 -2,-0.2 0.480 80.5 109.1 -88.8 -6.8 54.9 -20.6 13.2 184 189 A M << - 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