==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 29-MAY-01 1JA2 . COMPND 2 MOLECULE: LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: GALLUS GALLUS; . AUTHOR R.B.VON DREELE . 129 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7821.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 74 57.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 1.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 6.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.8 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 . 8 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 24.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 15 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 4.7 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 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 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 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 1 A K 0 0 115 0, 0.0 2,-0.5 0, 0.0 39,-0.3 0.000 360.0 360.0 360.0 113.7 1.9 8.9 9.0 2 2 A V - 0 0 102 37,-0.1 37,-0.2 38,-0.1 2,-0.1 -0.895 360.0-139.8-105.0 120.4 2.5 12.1 7.0 3 3 A F - 0 0 37 35,-1.3 2,-0.1 -2,-0.5 5,-0.1 -0.379 5.8-143.3 -88.5 154.8 -0.6 14.3 6.4 4 4 A G - 0 0 31 -2,-0.1 4,-0.3 1,-0.0 -1,-0.1 -0.278 39.8 -92.0 -94.2-176.8 -2.0 16.3 3.5 5 5 A R S > S+ 0 0 155 1,-0.2 3,-1.1 2,-0.2 4,-0.3 0.984 127.0 28.3 -66.4 -62.3 -3.8 19.6 3.8 6 6 A a T 3 S+ 0 0 71 1,-0.2 4,-0.3 2,-0.2 -1,-0.2 0.331 110.2 78.2 -83.6 9.1 -7.4 18.5 4.0 7 7 A E T 3 S+ 0 0 90 1,-0.1 -1,-0.2 2,-0.1 -2,-0.2 0.585 99.8 36.7 -89.8 -14.6 -6.0 15.2 5.6 8 8 A L S < S+ 0 0 34 -3,-1.1 -2,-0.2 -4,-0.3 -1,-0.1 0.354 103.8 73.2-112.8 -8.8 -5.5 16.9 9.0 9 9 A A S S+ 0 0 41 -4,-0.3 4,-0.3 2,-0.1 3,-0.2 0.699 92.0 46.3 -88.9 -22.9 -8.6 19.2 9.1 10 10 A A S >> S+ 0 0 74 -4,-0.3 3,-1.9 1,-0.2 4,-1.0 0.920 100.3 61.1 -87.9 -45.1 -11.6 16.9 9.7 11 11 A A T 34 S+ 0 0 40 1,-0.3 4,-0.2 2,-0.2 -1,-0.2 0.476 93.6 69.5 -63.6 -1.9 -10.4 14.6 12.5 12 12 A M T >4>S+ 0 0 49 2,-0.2 5,-1.3 -3,-0.2 3,-0.5 0.851 104.1 40.4 -79.9 -37.3 -10.1 17.7 14.7 13 13 A K G X45S+ 0 0 103 -3,-1.9 3,-0.8 -4,-0.3 -2,-0.2 0.631 104.9 68.9 -82.4 -20.4 -13.8 18.1 14.8 14 14 A R G 3<5S+ 0 0 142 -4,-1.0 -1,-0.2 1,-0.2 -2,-0.2 0.609 101.5 46.7 -72.7 -16.4 -14.2 14.3 15.1 15 15 A H G < 5S- 0 0 36 -3,-0.5 -1,-0.2 -4,-0.2 -2,-0.2 0.338 119.5-107.9-110.3 4.0 -12.7 14.6 18.6 16 16 A G T < 5S+ 0 0 43 -3,-0.8 -3,-0.2 1,-0.0 -2,-0.1 0.565 76.2 127.7 84.6 11.8 -14.9 17.6 19.7 17 17 A L > < + 0 0 14 -5,-1.3 3,-3.1 3,-0.1 -4,-0.1 0.486 30.8 132.1 -78.4 -1.8 -12.6 20.7 19.9 18 18 A D T 3 S- 0 0 71 1,-0.3 6,-0.2 -6,-0.2 3,-0.2 -0.308 97.6 -18.3 -56.3 117.8 -14.9 22.8 17.7 19 19 A N T > S- 0 0 100 1,-0.2 3,-1.4 3,-0.1 5,-0.4 0.839 100.7-171.2 51.3 35.6 -15.2 26.1 19.6 20 20 A Y B X -A 23 0A 54 -3,-3.1 3,-1.7 3,-1.9 -1,-0.2 -0.428 61.4 -17.9 -71.8 122.0 -13.9 24.0 22.5 21 21 A R T 3 S- 0 0 181 -2,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.786 138.2 -42.3 54.1 35.3 -14.0 25.7 25.9 22 22 A G T < S+ 0 0 70 -3,-1.4 2,-0.6 1,-0.2 -1,-0.3 0.480 118.4 119.1 88.2 6.0 -14.3 28.9 24.0 23 23 A Y B < -A 20 0A 58 -3,-1.7 -3,-1.9 -6,-0.1 -1,-0.2 -0.910 48.9-159.5-110.4 112.2 -11.6 27.8 21.4 24 24 A S > - 0 0 34 -2,-0.6 3,-1.1 -5,-0.4 4,-0.2 -0.038 34.4 -93.8 -85.6 178.6 -13.0 27.7 17.9 25 25 A L G >> S+ 0 0 43 1,-0.2 3,-0.6 2,-0.2 4,-0.5 0.679 118.1 64.5 -63.2 -24.2 -12.1 26.1 14.6 26 26 A G G 34 S+ 0 0 12 1,-0.2 -1,-0.2 2,-0.1 4,-0.2 0.692 96.6 55.4 -76.8 -22.4 -10.2 29.2 13.6 27 27 A N G <4 S+ 0 0 37 -3,-1.1 -1,-0.2 2,-0.1 4,-0.2 0.389 101.6 54.2 -93.5 -0.0 -7.5 28.9 16.3 28 28 A W T X4 S+ 0 0 44 -3,-0.6 3,-1.2 -4,-0.2 4,-0.5 0.930 87.6 58.7 -99.9 -59.9 -6.2 25.3 15.7 29 29 A V T 3X S+ 0 0 24 -4,-0.5 4,-0.6 1,-0.2 3,-0.4 0.682 95.5 62.7 -49.6 -35.9 -4.9 24.4 12.2 30 30 A b T >4 S+ 0 0 5 -4,-0.2 3,-0.9 1,-0.2 4,-0.5 0.911 95.8 62.5 -60.3 -41.9 -2.1 27.0 11.7 31 31 A A G X4 S+ 0 0 20 -3,-1.2 3,-1.0 1,-0.2 4,-0.5 0.768 94.3 53.4 -59.1 -42.1 -0.0 25.7 14.7 32 32 A A G 3>>S+ 0 0 15 -4,-0.5 4,-2.0 -3,-0.4 6,-1.2 0.730 102.9 60.2 -72.5 -18.3 1.0 22.1 13.7 33 33 A K G <<5S+ 0 0 75 -3,-0.9 -1,-0.3 -4,-0.6 -2,-0.2 0.725 113.2 39.5 -73.8 -22.8 2.4 23.4 10.4 34 34 A F T <45S+ 0 0 67 -3,-1.0 -2,-0.2 -4,-0.5 -1,-0.2 0.373 123.2 37.4-110.0 -1.3 4.7 25.4 12.7 35 35 A E T 45S+ 0 0 33 -4,-0.5 -3,-0.2 20,-0.2 -2,-0.2 0.545 140.4 5.9-118.6 -25.1 5.4 22.8 15.4 36 36 A S T ><5S- 0 0 6 -4,-2.0 3,-1.0 -5,-0.2 -3,-0.2 0.431 87.3-121.0-139.1 -4.4 5.6 19.7 13.2 37 37 A N T 3 - 0 0 65 4,-1.0 3,-1.9 -2,-0.7 4,-0.4 -0.572 27.1-114.2 -80.2 142.8 14.8 22.0 23.8 47 47 A T T 3 S+ 0 0 156 1,-0.3 -1,-0.1 -2,-0.2 4,-0.1 0.621 107.1 86.2 -53.4 -13.1 17.8 23.2 25.7 48 48 A D T 3 S- 0 0 77 2,-0.2 -1,-0.3 1,-0.1 3,-0.1 0.540 116.6-107.5 -65.6 -1.5 15.6 23.2 28.8 49 49 A G S < S+ 0 0 33 -3,-1.9 -2,-0.2 1,-0.5 2,-0.2 0.200 92.5 105.4 91.0 -9.4 16.8 19.5 28.9 50 50 A S - 0 0 0 -4,-0.4 -4,-1.0 19,-0.0 -1,-0.5 -0.497 62.8-138.6 -94.3 166.0 13.4 18.5 27.8 51 51 A T E -B 45 0B 1 -6,-0.3 9,-1.0 -2,-0.2 2,-0.7 -0.749 15.7-118.2-117.4 167.9 12.4 17.3 24.4 52 52 A D E -BC 44 59B 10 -8,-3.6 -8,-1.4 -2,-0.3 2,-0.3 -0.935 34.1-165.9-112.5 111.8 9.4 18.1 22.3 53 53 A Y E > + C 0 58B 19 5,-3.1 5,-2.6 -2,-0.7 3,-0.4 -0.683 43.8 4.1-100.9 149.4 7.4 15.0 21.6 54 54 A G T > 5S- 0 0 1 -2,-0.3 3,-0.6 1,-0.2 -12,-0.2 -0.219 103.4 -55.9 77.7-170.3 4.6 14.5 19.0 55 55 A I T 3 5S+ 0 0 26 28,-0.4 -1,-0.2 1,-0.2 -20,-0.2 0.478 134.0 59.8 -85.0 -5.1 3.2 16.9 16.4 56 56 A L T 3 5S- 0 0 50 -3,-0.4 -1,-0.2 27,-0.3 -2,-0.2 0.449 107.8-121.4-100.6 -3.6 2.5 19.4 19.2 57 57 A Q T < 5 - 0 0 25 -3,-0.6 2,-0.3 -15,-0.2 -3,-0.2 0.990 41.9-170.1 58.0 61.0 6.2 19.7 20.4 58 58 A I E < -C 53 0B 30 -5,-2.6 -5,-3.1 25,-0.1 2,-0.4 -0.654 17.4-130.1 -87.3 138.5 5.4 18.6 23.9 59 59 A N E >> -C 52 0B 25 -2,-0.3 4,-1.1 -7,-0.2 5,-0.9 -0.724 1.8-146.7 -90.3 134.8 8.0 18.9 26.6 60 60 A S T 45S+ 0 0 0 -9,-1.0 14,-0.4 -2,-0.4 6,-0.2 0.780 91.5 74.1 -66.8 -22.9 8.6 15.8 28.7 61 61 A R T 45S+ 0 0 50 -10,-0.3 12,-1.1 1,-0.1 13,-0.4 0.893 107.4 19.1 -61.2 -50.8 9.2 18.2 31.6 62 62 A W T 45S+ 0 0 113 -3,-0.4 13,-1.0 10,-0.2 -2,-0.1 0.928 135.4 14.6 -93.6 -46.4 5.8 19.4 32.4 63 63 A W T <5S+ 0 0 61 -4,-1.1 13,-3.1 11,-0.2 14,-0.6 0.809 109.5 47.2-106.2 -29.3 3.2 17.0 31.0 64 64 A c < - 0 0 0 -5,-0.9 2,-0.5 12,-0.2 10,-0.5 -0.407 68.4-110.8-111.6-175.4 4.6 13.6 29.9 65 65 A N B +d 79 0C 79 13,-0.8 15,-1.7 9,-0.1 16,-0.3 -0.899 43.4 145.2-115.7 101.8 7.0 10.6 30.9 66 66 A D - 0 0 35 -2,-0.5 -1,-0.1 3,-0.2 -5,-0.1 0.545 50.6-134.2-112.3 -12.6 10.2 10.2 29.0 67 67 A G S S+ 0 0 66 2,-0.3 -2,-0.0 -7,-0.1 0, 0.0 0.234 93.4 74.2 80.7 -10.5 12.5 9.0 31.8 68 68 A R S S+ 0 0 131 1,-0.2 -1,-0.1 2,-0.0 -3,-0.0 0.343 82.7 74.3-110.6 1.4 15.4 11.3 31.0 69 69 A T > - 0 0 9 -9,-0.1 3,-0.6 3,-0.0 -2,-0.3 -0.808 67.6-170.4-118.8 88.3 13.7 14.3 32.4 70 70 A P T 3 S+ 0 0 111 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 -0.413 70.3 40.6 -75.8 152.6 13.7 14.2 36.3 71 71 A G T 3 S+ 0 0 78 1,-0.3 2,-0.4 -2,-0.1 3,-0.0 0.649 83.7 141.9 81.9 13.1 11.6 16.7 38.2 72 72 A S < - 0 0 28 -3,-0.6 -1,-0.3 1,-0.1 -10,-0.2 -0.739 54.4-142.8 -88.2 136.9 8.9 16.2 35.6 73 73 A R - 0 0 149 -12,-1.1 -11,-0.1 -2,-0.4 -1,-0.1 0.758 17.9-157.0 -70.5 -24.6 5.4 16.2 37.0 74 74 A N > + 0 0 37 -10,-0.5 3,-0.6 -13,-0.4 -11,-0.2 0.861 29.4 165.7 49.4 37.0 4.5 13.5 34.4 75 75 A L T 3 + 0 0 71 -13,-1.0 -11,-0.2 1,-0.3 -12,-0.2 0.857 62.9 56.0 -57.7 -41.6 1.1 14.9 34.9 76 76 A d T 3 S- 0 0 26 -13,-3.1 -1,-0.3 -14,-0.1 -12,-0.2 0.921 92.8-151.1 -59.4 -37.9 -0.5 13.2 31.9 77 77 A N < + 0 0 113 -3,-0.6 -2,-0.1 -14,-0.6 -13,-0.1 0.981 53.3 100.8 63.6 58.0 0.7 9.9 33.2 78 78 A I S S- 0 0 67 -4,-0.0 -13,-0.8 0, 0.0 -1,-0.3 -0.935 87.1 -60.1-153.9 171.8 1.1 8.0 29.9 79 79 A P B >> -d 65 0C 64 0, 0.0 3,-1.3 0, 0.0 4,-0.7 -0.444 40.5-142.3 -64.5 131.9 4.0 7.1 27.6 80 80 A c T 34 S+ 0 0 4 -15,-1.7 -14,-0.1 1,-0.3 -22,-0.1 0.578 102.9 52.7 -70.0 -9.4 5.6 10.3 26.5 81 81 A S T >4 S+ 0 0 73 -16,-0.3 3,-1.7 1,-0.1 4,-0.4 0.544 87.0 72.4-103.9 -14.2 6.0 8.5 23.2 82 82 A A G X4 S+ 0 0 43 -3,-1.3 3,-1.1 1,-0.3 -2,-0.2 0.796 86.1 73.9 -69.8 -19.2 2.4 7.3 22.6 83 83 A L G 3< S+ 0 0 10 -4,-0.7 -28,-0.4 1,-0.3 -1,-0.3 0.359 91.2 58.4 -70.4 4.1 2.1 11.0 22.0 84 84 A L G < S+ 0 0 48 -3,-1.7 -1,-0.3 -30,-0.2 -2,-0.2 0.679 78.6 105.3-107.6 -24.9 3.9 10.2 18.7 85 85 A S S < S- 0 0 68 -3,-1.1 -3,-0.0 -4,-0.4 -44,-0.0 -0.208 81.2-113.3 -68.1 149.9 1.6 7.6 17.0 86 86 A S S S+ 0 0 59 1,-0.1 2,-1.1 2,-0.1 -1,-0.1 0.755 104.0 83.6 -51.0 -26.1 -0.5 8.4 14.0 87 87 A D + 0 0 91 1,-0.2 3,-0.4 -5,-0.1 -2,-0.2 -0.726 51.1 168.1 -87.6 102.9 -3.4 7.7 16.4 88 88 A I >> + 0 0 52 -2,-1.1 3,-1.4 1,-0.2 4,-0.9 0.495 40.6 116.6 -88.3 -8.9 -3.8 11.0 18.2 89 89 A T T 34 S+ 0 0 57 1,-0.3 -1,-0.2 2,-0.2 4,-0.0 0.700 86.6 30.6 -36.8 -34.8 -7.2 9.8 19.6 90 90 A A T >4 S+ 0 0 53 -3,-0.4 3,-1.6 -8,-0.1 4,-0.4 0.707 101.7 80.3-101.0 -20.6 -5.7 10.0 23.1 91 91 A S T X4 S+ 0 0 19 -3,-1.4 3,-1.3 1,-0.3 4,-0.2 0.870 85.5 57.9 -55.7 -45.9 -3.2 12.9 22.8 92 92 A V T >X S+ 0 0 20 -4,-0.9 4,-3.1 1,-0.3 3,-1.4 0.614 80.0 87.6 -66.5 -11.9 -5.6 15.8 23.0 93 93 A N H <> S+ 0 0 90 -3,-1.6 4,-0.7 1,-0.3 -1,-0.3 0.948 98.7 39.8 -49.6 -44.2 -6.8 14.7 26.4 94 94 A d H <> S+ 0 0 17 -3,-1.3 4,-1.2 -4,-0.4 -1,-0.3 0.525 112.4 59.5 -80.9 -6.2 -3.9 16.7 27.6 95 95 A A H <4 S+ 0 0 9 -3,-1.4 4,-0.4 -4,-0.2 -2,-0.2 0.881 102.2 48.9 -86.7 -41.2 -4.7 19.3 25.0 96 96 A K H < S+ 0 0 53 -4,-3.1 -2,-0.2 1,-0.2 4,-0.2 0.685 120.1 39.3 -70.5 -20.7 -8.3 20.1 26.2 97 97 A K H >X S+ 0 0 96 -4,-0.7 3,-2.7 -5,-0.3 4,-0.9 0.858 97.1 69.4 -98.2 -44.2 -7.0 20.5 29.8 98 98 A I T 3< S+ 0 0 21 -4,-1.2 5,-0.3 1,-0.3 -2,-0.1 0.627 102.0 55.7 -55.3 -10.0 -3.6 22.3 29.6 99 99 A V T >4>S+ 0 0 9 -4,-0.4 3,-2.3 2,-0.1 5,-0.6 0.738 90.6 66.7 -91.1 -29.7 -5.8 25.2 28.6 100 100 A S T <45S+ 0 0 77 -3,-2.7 -2,-0.2 1,-0.3 -1,-0.1 0.731 79.9 87.0 -63.0 -17.0 -8.0 25.0 31.7 101 101 A D T 3<5S- 0 0 110 -4,-0.9 -1,-0.3 1,-0.1 -2,-0.1 0.756 99.4-134.3 -51.7 -29.3 -4.7 26.0 33.3 102 102 A G T < 5S+ 0 0 65 -3,-2.3 -1,-0.1 1,-0.0 -2,-0.1 0.280 84.1 95.7 89.0 -6.0 -6.0 29.5 32.4 103 103 A N T > 5S- 0 0 119 -5,-0.3 3,-0.6 1,-0.3 -3,-0.1 0.271 83.3-143.1 -98.9 13.6 -2.8 31.0 30.9 104 104 A G T 3 < - 0 0 11 -5,-0.6 -1,-0.3 1,-0.2 3,-0.3 -0.066 42.6 -30.0 72.7-162.3 -4.2 30.1 27.5 105 105 A M T > S+ 0 0 14 1,-0.3 3,-1.6 2,-0.1 -1,-0.2 0.507 105.8 103.9 -70.8 -6.4 -2.9 28.9 24.2 106 106 A N T < + 0 0 65 -3,-0.6 -1,-0.3 1,-0.3 -2,-0.1 0.131 49.4 93.0 -70.0 20.3 0.1 30.8 25.3 107 107 A A T 3 S+ 0 0 60 -3,-0.3 2,-0.4 -2,-0.2 -1,-0.3 0.499 78.1 66.6 -89.6 -10.1 1.7 27.4 26.1 108 108 A W S < S- 0 0 40 -3,-1.6 4,-0.4 1,-0.1 -51,-0.1 -0.908 72.5-145.3-115.7 144.4 3.2 27.3 22.6 109 109 A V S > S+ 0 0 103 -2,-0.4 4,-1.0 3,-0.1 5,-0.3 0.868 89.1 41.7 -77.1 -37.9 5.9 29.7 21.2 110 110 A A H >>S+ 0 0 7 2,-0.2 4,-7.8 3,-0.2 5,-0.9 0.991 108.2 47.9 -79.7 -61.2 4.9 30.0 17.5 111 111 A W H >>S+ 0 0 7 3,-0.3 5,-1.6 1,-0.2 4,-0.7 0.839 106.3 64.9 -49.6 -34.9 1.1 30.4 17.1 112 112 A R H 45S+ 0 0 91 -4,-0.4 4,-0.4 3,-0.2 -1,-0.2 0.976 130.9 1.0 -54.7 -59.8 1.3 33.0 19.8 113 113 A N H <5S+ 0 0 156 -4,-1.0 -2,-0.2 -3,-0.4 -1,-0.2 0.693 142.0 47.9-102.3 -20.0 3.4 35.3 17.7 114 114 A R H <5S+ 0 0 160 -4,-7.8 -3,-0.3 -5,-0.3 -2,-0.2 0.754 128.7 18.4 -88.9 -26.4 3.5 33.2 14.6 115 115 A b T ><> + 0 0 21 -2,-0.9 3,-2.7 2,-0.2 4,-1.0 0.745 61.9 73.9-101.2 -30.3 -7.2 32.0 10.3 121 121 A Q T 34 S+ 0 0 104 1,-0.3 3,-0.1 -3,-0.2 -1,-0.1 0.762 93.5 63.6 -54.6 -21.9 -10.5 31.8 8.3 122 122 A A T >4 S+ 0 0 39 1,-0.2 3,-0.7 2,-0.2 -1,-0.3 0.688 93.0 56.9 -76.1 -23.9 -8.1 31.1 5.5 123 123 A W T <4 S+ 0 0 82 -3,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.775 108.6 48.5 -78.2 -24.6 -6.8 27.8 7.0 124 124 A I T 3< S+ 0 0 62 -4,-1.0 3,-0.3 -3,-0.1 2,-0.2 0.158 98.4 98.3 -96.2 12.0 -10.4 26.6 7.0 125 125 A R S < S+ 0 0 134 -3,-0.7 3,-0.1 -5,-0.2 -3,-0.1 -0.677 70.0 32.0-102.7 157.1 -11.0 27.7 3.4 126 126 A G S S+ 0 0 62 1,-0.3 2,-0.2 -2,-0.2 -1,-0.2 0.411 104.8 90.7 79.7 -2.0 -10.8 25.6 0.2 127 127 A a S S- 0 0 49 -3,-0.3 2,-0.4 -122,-0.0 -1,-0.3 -0.636 76.7-107.4-117.9 175.2 -12.1 22.6 2.2 128 128 A R 0 0 212 -2,-0.2 -3,-0.0 -3,-0.1 0, 0.0 -0.867 360.0 360.0-112.4 141.1 -15.5 21.1 3.0 129 129 A L 0 0 170 -2,-0.4 -1,-0.1 -5,-0.0 -5,-0.0 0.091 360.0 360.0-110.6 360.0 -17.4 21.1 6.3