==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-MAY-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 26-APR-12 4EW6 . COMPND 2 MOLECULE: D-GALACTOSE-1-DEHYDROGENASE PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: RHIZOBIUM ETLI; . AUTHOR S.ESWARAMOORTHY,S.C.ALMO,S.SWAMINATHAN,NEW YORK STRUCTURAL G . 309 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15399.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 227 73.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 42 13.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 38 12.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 26 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 79 25.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 1 1 0 2 0 1 0 0 1 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 2 2 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 1 1 0 0 2 1 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 1 1 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 -4 A Y 0 0 253 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 170.4 38.3 20.9 27.4 2 -3 A F - 0 0 196 1,-0.0 2,-0.6 0, 0.0 0, 0.0 -0.550 360.0-151.6 -83.5 133.3 35.0 19.7 28.8 3 -2 A Q - 0 0 135 -2,-0.3 2,-0.2 2,-0.0 -1,-0.0 -0.900 11.5-149.6-106.4 115.0 31.7 20.8 27.4 4 -1 A S - 0 0 120 -2,-0.6 2,-0.4 1,-0.0 0, 0.0 -0.533 13.6-165.4 -79.6 145.5 28.8 20.9 29.9 5 1 A X - 0 0 116 -2,-0.2 -2,-0.0 0, 0.0 -1,-0.0 -0.997 13.9-139.4-138.2 133.7 25.2 20.2 28.6 6 2 A S - 0 0 105 -2,-0.4 3,-0.0 1,-0.1 25,-0.0 -0.481 40.8 -92.3 -82.7 155.7 21.8 20.8 30.1 7 3 A P - 0 0 53 0, 0.0 2,-0.6 0, 0.0 26,-0.3 -0.320 32.3-112.7 -67.6 153.2 19.1 18.1 29.7 8 4 A I E -a 33 0A 27 24,-3.8 26,-2.5 57,-0.0 2,-0.5 -0.783 36.3-125.2 -77.1 120.1 16.6 18.1 26.8 9 5 A N E -a 34 0A 34 -2,-0.6 56,-2.5 54,-0.3 57,-2.1 -0.630 35.1-163.7 -74.4 118.9 13.3 18.7 28.5 10 6 A L E -ab 35 66A 0 24,-3.4 26,-2.6 -2,-0.5 27,-1.2 -0.827 16.5-165.7-111.0 140.7 10.9 15.9 27.5 11 7 A A E -ab 37 67A 0 55,-1.9 57,-2.4 -2,-0.3 2,-0.5 -0.939 12.9-145.6-116.9 149.1 7.2 15.3 27.6 12 8 A I E -ab 38 68A 4 25,-2.0 27,-2.0 -2,-0.4 2,-0.5 -0.963 8.9-167.0-113.9 130.9 5.4 12.0 27.1 13 9 A V E +ab 39 69A 13 55,-2.6 57,-3.0 -2,-0.5 58,-0.5 -0.979 54.1 22.4-115.9 124.2 2.1 11.7 25.4 14 10 A G - 0 0 10 25,-1.8 2,-0.2 -2,-0.5 25,-0.1 -0.213 61.7-128.1 110.0 164.5 0.3 8.4 25.8 15 11 A V + 0 0 62 -2,-0.1 2,-0.2 4,-0.0 3,-0.2 -0.772 41.8 96.8-137.9 178.8 0.1 5.3 28.0 16 12 A G S > S- 0 0 28 -2,-0.2 4,-1.9 1,-0.2 5,-0.2 -0.684 80.9 -47.7 127.7-179.8 0.2 1.5 27.9 17 13 A K H > S+ 0 0 126 -2,-0.2 4,-3.1 1,-0.2 5,-0.3 0.850 130.0 49.6 -52.9 -50.4 2.6 -1.4 28.3 18 14 A I H >>S+ 0 0 80 2,-0.2 5,-2.5 1,-0.2 4,-1.9 0.839 108.0 56.6 -63.0 -36.1 5.5 0.0 26.1 19 15 A V H 4>S+ 0 0 9 3,-0.2 5,-2.6 1,-0.2 -2,-0.2 0.952 116.8 33.9 -60.7 -49.9 5.3 3.3 28.0 20 16 A R H <5S+ 0 0 149 -4,-1.9 -2,-0.2 3,-0.2 -1,-0.2 0.862 126.1 38.6 -71.1 -43.8 5.8 1.5 31.4 21 17 A D H <5S+ 0 0 76 -4,-3.1 -3,-0.2 -5,-0.2 -2,-0.2 0.776 135.2 8.8 -81.9 -29.7 8.2 -1.3 30.3 22 18 A Q T X5S+ 0 0 55 -4,-1.9 4,-1.8 -5,-0.3 -3,-0.2 0.785 122.2 44.8-119.7 -54.0 10.3 0.6 27.8 23 19 A H H > S+ 0 0 55 0, 0.0 4,-1.2 0, 0.0 -1,-0.2 0.870 113.9 45.9 -55.7 -41.1 12.7 3.1 32.3 26 22 A S H X S+ 0 0 7 -4,-1.8 4,-1.0 -3,-0.4 -2,-0.2 0.883 113.4 49.5 -69.5 -36.8 14.9 4.2 29.4 27 23 A I H >< S+ 0 0 8 -4,-2.8 3,-1.2 1,-0.2 6,-0.2 0.954 105.2 58.0 -65.7 -45.8 14.1 7.9 30.1 28 24 A A H 3< S+ 0 0 88 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.818 110.9 43.2 -52.0 -37.4 14.9 7.5 33.8 29 25 A K H 3< S+ 0 0 185 -4,-1.2 2,-0.7 -5,-0.2 -1,-0.3 0.636 95.1 91.2 -81.0 -19.2 18.5 6.2 32.9 30 26 A N X< - 0 0 24 -3,-1.2 3,-1.3 -4,-1.0 -1,-0.0 -0.716 53.4-169.4 -92.1 114.5 19.2 8.8 30.3 31 27 A A T 3 S+ 0 0 85 -2,-0.7 -1,-0.1 1,-0.3 -4,-0.0 0.612 80.5 69.8 -78.9 -11.6 20.9 12.0 31.6 32 28 A N T 3 S+ 0 0 78 -25,-0.1 -24,-3.8 -5,-0.0 2,-0.3 0.515 98.8 60.5 -79.5 -3.2 20.4 14.0 28.3 33 29 A F E < -a 8 0A 12 -3,-1.3 2,-0.5 -26,-0.3 -24,-0.2 -0.945 61.0-164.0-125.3 144.8 16.7 14.1 29.0 34 30 A K E -a 9 0A 117 -26,-2.5 -24,-3.4 -2,-0.3 2,-0.8 -0.996 22.6-136.3-123.2 125.4 14.6 15.5 31.9 35 31 A L E +a 10 0A 37 -2,-0.5 -24,-0.2 -26,-0.2 3,-0.1 -0.735 35.8 162.6 -85.6 111.2 11.0 14.3 32.0 36 32 A V E + 0 0 27 -26,-2.6 13,-0.6 -2,-0.8 2,-0.3 0.664 54.0 3.0-106.4 -23.5 9.1 17.4 32.7 37 33 A A E -ac 11 49A 0 -27,-1.2 -25,-2.0 11,-0.1 2,-0.3 -0.993 48.1-151.3-160.8 160.1 5.4 16.5 31.8 38 34 A T E -ac 12 50A 7 11,-1.6 13,-1.3 -2,-0.3 2,-0.4 -0.949 8.3-160.2-130.7 153.5 2.9 13.9 30.6 39 35 A A E +ac 13 51A 1 -27,-2.0 -25,-1.8 -2,-0.3 2,-0.2 -0.993 35.6 117.4-138.1 126.6 -0.3 14.3 28.6 40 36 A S - 0 0 20 11,-2.0 3,-0.3 -2,-0.4 13,-0.1 -0.827 54.6-142.1 179.3 143.2 -3.0 11.7 28.6 41 37 A R S S+ 0 0 179 -2,-0.2 3,-0.1 1,-0.1 11,-0.1 0.230 103.5 60.0 -89.1 6.0 -6.6 11.1 29.6 42 38 A H S S- 0 0 157 1,-0.3 2,-0.2 10,-0.1 -1,-0.1 0.310 113.2 -26.3-120.9 16.3 -5.5 7.6 30.7 43 39 A G - 0 0 30 -3,-0.3 -1,-0.3 -28,-0.1 2,-0.2 -0.764 46.0-131.1 150.6 159.5 -2.9 8.2 33.4 44 40 A T - 0 0 99 -2,-0.2 2,-0.5 -3,-0.1 5,-0.1 -0.691 23.2-117.7-126.1 176.2 -0.2 10.2 35.0 45 41 A V > - 0 0 41 3,-0.4 3,-2.1 -2,-0.2 -7,-0.1 -0.992 39.8-107.1-123.1 123.9 3.3 9.7 36.3 46 42 A E T 3 S+ 0 0 198 -2,-0.5 3,-0.1 1,-0.3 0, 0.0 -0.295 101.5 5.8 -53.7 128.8 3.9 10.2 40.1 47 43 A G T 3 S+ 0 0 88 1,-0.2 2,-0.4 -2,-0.0 -1,-0.3 0.566 106.2 107.2 71.4 12.0 5.7 13.5 40.8 48 44 A V S < S- 0 0 31 -3,-2.1 -3,-0.4 -11,-0.0 -1,-0.2 -0.977 82.1-102.2-118.5 133.0 5.7 14.7 37.2 49 45 A N E -c 37 0A 91 -13,-0.6 -11,-1.6 -2,-0.4 2,-0.3 -0.307 45.2-155.4 -50.7 129.9 3.4 17.5 36.1 50 46 A S E +c 38 0A 60 -13,-0.2 2,-0.3 -6,-0.1 -11,-0.2 -0.813 18.0 178.4-115.6 150.5 0.3 16.0 34.3 51 47 A Y E -c 39 0A 52 -13,-1.3 -11,-2.0 -2,-0.3 3,-0.1 -0.951 28.8-138.3-143.7 157.5 -2.2 17.3 31.7 52 48 A T S S+ 0 0 82 -2,-0.3 2,-0.3 -13,-0.2 -13,-0.1 0.682 88.0 38.1 -91.2 -27.4 -5.1 15.7 29.9 53 49 A T S > S- 0 0 33 -13,-0.1 4,-2.1 -15,-0.1 5,-0.1 -0.967 73.1-129.9-128.1 150.3 -4.4 17.2 26.5 54 50 A I H > S+ 0 0 10 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.881 112.3 53.4 -59.7 -38.3 -1.2 17.8 24.5 55 51 A E H > S+ 0 0 88 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.906 106.8 51.2 -64.6 -43.8 -2.4 21.4 23.9 56 52 A A H > S+ 0 0 36 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.908 113.6 45.9 -56.8 -40.1 -2.9 22.0 27.6 57 53 A X H X S+ 0 0 0 -4,-2.1 4,-1.6 1,-0.2 -2,-0.2 0.902 109.8 51.0 -74.4 -39.2 0.6 20.8 28.2 58 54 A L H < S+ 0 0 30 -4,-2.5 -1,-0.2 2,-0.2 -2,-0.2 0.831 112.7 48.9 -66.3 -36.2 2.3 22.8 25.4 59 55 A D H < S+ 0 0 136 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.959 117.9 38.1 -61.1 -54.9 0.6 25.9 26.7 60 56 A A H < S+ 0 0 55 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.564 114.6 52.2 -80.9 -12.5 1.6 25.4 30.4 61 57 A E >< + 0 0 22 -4,-1.6 3,-2.1 1,-0.1 -1,-0.2 -0.583 54.9 163.7-126.0 71.6 5.1 24.0 30.0 62 58 A P T 3 S+ 0 0 109 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.714 70.4 71.2 -67.0 -17.4 7.1 26.4 27.7 63 59 A S T 3 S+ 0 0 57 -3,-0.1 -54,-0.3 -27,-0.0 2,-0.0 0.574 71.8 118.8 -72.9 -8.0 10.4 24.9 28.8 64 60 A I < + 0 0 2 -3,-2.1 -54,-0.2 1,-0.1 3,-0.1 -0.362 33.2 172.8 -59.9 133.8 9.5 21.6 26.8 65 61 A D + 0 0 66 -56,-2.5 24,-2.4 1,-0.3 2,-0.3 0.577 62.9 15.9-110.1 -29.4 12.0 20.9 24.0 66 62 A A E -bd 10 89A 0 -57,-2.1 -55,-1.9 22,-0.3 2,-0.3 -0.973 56.7-152.0-149.4 163.1 10.8 17.4 22.8 67 63 A V E -bd 11 90A 0 22,-2.2 24,-2.9 -2,-0.3 2,-0.5 -0.997 7.9-150.4-139.6 135.1 7.9 15.0 23.0 68 64 A S E -bd 12 91A 0 -57,-2.4 -55,-2.6 -2,-0.3 2,-0.7 -0.961 16.7-155.7-104.8 124.0 7.7 11.1 22.7 69 65 A L E +bd 13 92A 0 22,-3.1 24,-1.7 -2,-0.5 -55,-0.2 -0.882 20.2 169.4-111.7 110.4 4.4 10.1 21.2 70 66 A C + 0 0 15 -57,-3.0 -56,-0.2 -2,-0.7 -1,-0.1 0.514 36.4 108.2-112.9 -8.0 3.5 6.6 22.3 71 67 A X S S- 0 0 29 -58,-0.5 22,-0.2 1,-0.1 -2,-0.0 -0.052 81.6 -81.9 -52.2 167.0 -0.1 6.2 21.2 72 68 A P > - 0 0 83 0, 0.0 4,-0.6 0, 0.0 3,-0.4 -0.270 47.4-101.5 -67.0 162.2 -1.0 3.9 18.3 73 69 A P H > S+ 0 0 33 0, 0.0 4,-0.6 0, 0.0 25,-0.5 0.762 112.9 72.9 -60.7 -25.4 -0.7 5.3 14.8 74 70 A Q H 4 S+ 0 0 147 1,-0.2 3,-0.4 2,-0.1 24,-0.1 0.934 108.8 26.0 -51.5 -58.4 -4.5 6.0 14.5 75 71 A Y H > S+ 0 0 54 -3,-0.4 4,-0.7 1,-0.2 3,-0.3 0.497 105.5 88.3 -82.6 -5.5 -4.7 8.9 16.9 76 72 A R H X + 0 0 3 -4,-0.6 4,-2.2 -3,-0.5 5,-0.2 0.676 65.1 68.6 -87.3 -24.9 -1.2 10.0 16.4 77 73 A Y H X S+ 0 0 63 -4,-0.6 4,-3.0 -3,-0.4 -1,-0.2 0.945 100.3 50.8 -52.3 -55.7 -1.0 12.5 13.5 78 74 A E H > S+ 0 0 140 -3,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.873 113.1 45.6 -56.5 -41.1 -2.9 15.3 15.2 79 75 A A H X S+ 0 0 10 -4,-0.7 4,-1.7 1,-0.2 -1,-0.2 0.904 113.3 48.5 -74.4 -37.7 -0.7 15.1 18.3 80 76 A A H X S+ 0 0 0 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.900 109.9 54.5 -68.6 -35.2 2.5 15.0 16.2 81 77 A Y H X S+ 0 0 93 -4,-3.0 4,-2.4 1,-0.2 -2,-0.2 0.924 108.0 46.4 -63.5 -46.0 1.3 17.9 14.2 82 78 A K H X S+ 0 0 70 -4,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.845 111.4 53.3 -68.1 -35.9 0.7 20.2 17.2 83 79 A A H <>S+ 0 0 0 -4,-1.7 5,-2.8 2,-0.2 4,-0.3 0.895 111.9 43.3 -62.7 -44.9 4.0 19.4 18.7 84 80 A L H ><5S+ 0 0 0 -4,-1.9 3,-1.0 3,-0.2 -2,-0.2 0.884 110.5 55.6 -73.0 -37.2 5.9 20.2 15.5 85 81 A V H 3<5S+ 0 0 83 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.881 107.3 51.3 -57.7 -41.6 3.8 23.4 15.1 86 82 A A T 3<5S- 0 0 47 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.587 122.5-113.8 -66.0 -14.2 5.0 24.3 18.6 87 83 A G T < 5 + 0 0 32 -3,-1.0 2,-0.3 1,-0.3 -3,-0.2 0.663 66.4 145.2 87.8 15.5 8.6 23.6 17.4 88 84 A K < - 0 0 29 -5,-2.8 -1,-0.3 -6,-0.1 -22,-0.3 -0.610 53.7-113.0 -86.1 144.5 9.2 20.5 19.6 89 85 A H E -d 66 0A 35 -24,-2.4 -22,-2.2 -2,-0.3 2,-0.4 -0.432 36.7-142.1 -65.9 152.8 11.3 17.6 18.5 90 86 A V E -de 67 117A 0 26,-2.9 28,-2.2 -24,-0.2 2,-0.7 -0.968 17.9-163.3-136.4 123.6 9.2 14.4 18.1 91 87 A F E -de 68 118A 0 -24,-2.9 -22,-3.1 -2,-0.4 2,-0.5 -0.908 21.0-158.4-102.3 112.2 9.9 10.8 18.9 92 88 A L E -de 69 119A 0 26,-3.2 28,-2.1 -2,-0.7 -22,-0.1 -0.812 11.3-130.1 -94.4 131.8 7.3 8.7 17.0 93 89 A E - 0 0 14 -24,-1.7 27,-0.1 -2,-0.5 -22,-0.1 -0.186 54.0 -51.2 -63.3 168.1 6.5 5.1 18.1 94 90 A K S S+ 0 0 24 25,-0.1 -1,-0.1 2,-0.1 27,-0.1 -0.683 124.4 32.8 -93.1 140.4 6.5 2.3 15.5 95 91 A P S S- 0 0 12 0, 0.0 -2,-0.1 0, 0.0 26,-0.1 0.774 87.3-137.6 -71.2 159.5 5.1 2.4 12.8 96 92 A P S S- 0 0 1 0, 0.0 2,-0.3 0, 0.0 -2,-0.1 0.609 73.6 -11.7 -69.6 -7.9 5.5 6.2 12.3 97 93 A G - 0 0 3 1,-0.1 -23,-0.1 -5,-0.1 3,-0.1 -0.962 66.2-104.6-173.4 171.2 2.0 6.8 11.0 98 94 A A S S+ 0 0 55 -25,-0.5 2,-0.3 -2,-0.3 -24,-0.1 0.822 106.7 24.3 -76.3 -35.4 -1.2 5.0 9.7 99 95 A T S > S- 0 0 63 -26,-0.1 4,-1.4 1,-0.1 -1,-0.1 -0.900 75.2-125.0-125.8 158.3 -0.3 6.1 6.2 100 96 A L H > S+ 0 0 56 -2,-0.3 4,-2.1 1,-0.2 5,-0.2 0.812 110.2 59.8 -67.4 -35.2 2.8 7.0 4.3 101 97 A S H > S+ 0 0 97 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.917 102.7 50.5 -63.7 -43.0 1.2 10.3 3.3 102 98 A E H > S+ 0 0 40 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.916 111.8 48.9 -60.6 -45.6 0.7 11.5 6.9 103 99 A V H X S+ 0 0 0 -4,-1.4 4,-2.6 2,-0.2 -1,-0.2 0.869 108.9 50.8 -61.5 -40.8 4.2 10.7 7.6 104 100 A A H X S+ 0 0 59 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.891 111.7 50.9 -66.8 -35.3 5.6 12.6 4.6 105 101 A D H X S+ 0 0 75 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.955 110.0 47.2 -59.7 -52.4 3.4 15.5 5.7 106 102 A L H X S+ 0 0 2 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.904 110.4 54.2 -58.2 -43.1 4.8 15.4 9.3 107 103 A E H X S+ 0 0 70 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.936 108.6 47.7 -55.9 -47.5 8.3 15.2 7.9 108 104 A A H X S+ 0 0 58 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.931 111.4 51.3 -60.8 -48.0 7.8 18.4 5.7 109 105 A L H X S+ 0 0 20 -4,-2.5 4,-1.2 1,-0.2 6,-0.2 0.891 109.3 51.4 -50.5 -46.1 6.3 20.2 8.7 110 106 A A H X>S+ 0 0 0 -4,-2.3 5,-1.6 2,-0.2 4,-0.5 0.918 109.4 47.4 -64.6 -47.3 9.4 19.2 10.8 111 107 A N H ><5S+ 0 0 103 -4,-2.2 3,-1.1 1,-0.2 -1,-0.2 0.913 110.4 53.8 -58.2 -44.9 12.0 20.5 8.3 112 108 A K H 3<5S+ 0 0 173 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.730 114.3 41.5 -57.7 -32.2 10.0 23.8 8.0 113 109 A Q H 3<5S- 0 0 90 -4,-1.2 -1,-0.3 -3,-0.4 -2,-0.2 0.440 107.5-122.2 -96.9 -0.2 10.2 24.2 11.8 114 110 A G T <<5 + 0 0 60 -3,-1.1 2,-0.4 -4,-0.5 -3,-0.2 0.585 65.9 142.4 62.1 12.6 13.7 23.1 12.2 115 111 A A < - 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