==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 04-JUL-05 2A6U . COMPND 2 MOLECULE: LYSOZYME C; . SOURCE 2 ORGANISM_SCIENTIFIC: GALLUS GALLUS; . AUTHOR I.MARGIOLAKI . 129 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7556.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 95 73.6 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 . 10 7.8 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 . 2 1.6 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 . 10 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 25.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 31 24.0 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 1 0 1 1 0 0 1 1 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 . 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 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 0 114 0, 0.0 39,-1.7 0, 0.0 2,-0.6 0.000 360.0 360.0 360.0 140.4 36.7 29.4 -10.1 2 2 A V B -A 39 0A 113 37,-0.2 37,-0.2 38,-0.1 36,-0.1 -0.748 360.0-174.1 -87.2 113.2 36.3 26.8 -12.7 3 3 A F - 0 0 31 35,-3.0 2,-0.3 -2,-0.6 3,-0.1 -0.235 15.6-151.6 -96.8-171.8 39.5 24.7 -13.0 4 4 A G - 0 0 18 1,-0.1 4,-0.3 -2,-0.1 34,-0.0 -0.804 41.4 -79.4-151.3 171.8 40.8 21.8 -15.2 5 5 A R S >> S+ 0 0 99 -2,-0.3 3,-1.1 1,-0.2 4,-0.9 0.957 117.4 20.5 -54.6 -79.2 43.2 19.0 -14.4 6 6 A a H 3> S+ 0 0 55 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.856 105.4 85.4 -64.5 -28.9 47.0 20.1 -14.5 7 7 A E H 34 S+ 0 0 138 1,-0.3 -1,-0.2 2,-0.1 -2,-0.1 0.619 102.8 29.9 -48.3 -17.1 46.0 23.9 -14.0 8 8 A L H X4 S+ 0 0 41 -3,-1.1 3,-1.9 -4,-0.3 -1,-0.3 0.778 93.8 94.0-112.5 -33.8 45.9 23.4 -10.3 9 9 A A H >X S+ 0 0 17 -4,-0.9 3,-0.9 1,-0.3 4,-0.5 0.686 87.5 45.5 -35.5 -46.4 48.5 20.6 -9.7 10 10 A A H >X S+ 0 0 66 -4,-0.7 4,-1.6 1,-0.2 3,-1.5 0.914 96.3 74.3 -74.0 -28.2 51.6 22.7 -8.9 11 11 A A H <4 S+ 0 0 28 -3,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.429 94.7 55.3 -61.6 0.3 49.7 25.1 -6.5 12 12 A M H <4>S+ 0 0 47 -3,-0.9 5,-1.6 -4,-0.2 -1,-0.3 0.648 99.8 53.8-107.1 -31.1 49.6 22.4 -3.9 13 13 A K H X<5S+ 0 0 86 -3,-1.5 3,-2.5 -4,-0.5 -2,-0.2 0.882 100.6 65.5 -72.3 -36.3 53.3 21.6 -3.7 14 14 A R T 3<5S+ 0 0 172 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.769 101.7 48.6 -54.2 -29.4 53.6 25.4 -3.0 15 15 A H T 3 5S- 0 0 27 -3,-0.2 -1,-0.3 -4,-0.1 -2,-0.2 0.497 123.1-106.0 -92.9 0.6 51.8 24.8 0.2 16 16 A G T < 5S+ 0 0 45 -3,-2.5 -3,-0.2 -4,-0.1 -2,-0.1 0.742 76.0 128.8 83.6 24.8 54.0 21.9 1.2 17 17 A L > < + 0 0 24 -5,-1.6 3,-1.6 2,-0.1 2,-0.7 0.492 25.6 115.1 -94.9 -1.9 51.8 18.8 0.7 18 18 A D T 3 S- 0 0 57 1,-0.3 6,-0.2 -5,-0.2 3,-0.1 -0.585 104.6 -11.1 -74.4 115.5 53.8 16.2 -1.4 19 19 A N T > S+ 0 0 91 4,-1.4 3,-1.9 -2,-0.7 2,-0.6 0.742 90.6 177.2 65.5 31.5 54.4 13.2 0.8 20 20 A Y B X S-B 23 0B 85 -3,-1.6 3,-1.5 3,-1.0 -1,-0.2 -0.545 78.9 -12.7 -70.1 111.4 53.2 15.3 3.8 21 21 A R T 3 S- 0 0 202 -2,-0.6 -1,-0.3 1,-0.3 3,-0.1 0.705 137.6 -53.6 60.7 26.4 53.2 12.8 6.7 22 22 A G T < S+ 0 0 53 -3,-1.9 2,-1.1 1,-0.2 -1,-0.3 -0.059 105.5 127.0 97.3 -19.9 53.7 10.2 3.9 23 23 A Y B < -B 20 0B 74 -3,-1.5 -4,-1.4 -4,-0.1 -3,-1.0 -0.472 52.1-145.7 -73.6 104.4 50.7 11.0 1.6 24 24 A S > - 0 0 35 -2,-1.1 3,-0.5 -5,-0.3 4,-0.2 0.167 23.7 -93.5 -64.1 174.0 52.3 11.5 -1.8 25 25 A L T >> S+ 0 0 25 1,-0.2 3,-1.2 2,-0.1 4,-0.6 0.846 116.0 61.0 -55.8 -45.4 51.5 13.8 -4.7 26 26 A G H 3> S+ 0 0 1 1,-0.2 4,-0.6 2,-0.1 -1,-0.2 0.795 94.4 63.6 -62.6 -29.7 49.3 11.3 -6.6 27 27 A N H <4 S+ 0 0 33 -3,-0.5 4,-0.4 1,-0.2 -1,-0.2 0.455 96.5 52.7 -75.2 -11.6 46.7 10.8 -3.8 28 28 A W H <> S+ 0 0 60 -3,-1.2 4,-1.0 -4,-0.2 3,-0.5 0.890 92.5 66.6 -90.6 -43.5 45.2 14.2 -3.6 29 29 A V H X S+ 0 0 34 -4,-0.6 4,-0.7 1,-0.2 -2,-0.1 0.797 97.1 59.1 -43.9 -44.3 44.2 15.1 -7.3 30 30 A b H >X S+ 0 0 4 -4,-0.6 3,-1.0 1,-0.2 4,-1.0 0.966 100.8 53.7 -53.9 -59.2 41.6 12.4 -7.3 31 31 A A H >> S+ 0 0 18 -3,-0.5 4,-1.2 -4,-0.4 3,-0.5 0.836 98.2 56.4 -50.2 -55.9 39.6 13.8 -4.3 32 32 A A H 3X>S+ 0 0 20 -4,-1.0 5,-0.7 1,-0.2 4,-0.7 0.746 103.9 55.6 -58.8 -22.3 38.7 17.4 -5.3 33 33 A K H -A 2 0A 43 -7,-0.4 3,-0.8 -37,-0.2 -37,-0.2 -0.982 52.8-157.3-135.3 125.9 35.4 24.1 -8.9 40 40 A T T 3 S+ 0 0 10 -39,-1.7 14,-0.2 -2,-0.5 -1,-0.1 0.857 87.7 61.5 -62.5 -41.4 36.0 26.1 -5.7 41 41 A Q T 3 S+ 0 0 124 -40,-0.1 -1,-0.2 12,-0.1 2,-0.1 0.347 74.3 111.6 -71.4 -5.2 32.4 27.4 -5.4 42 42 A A < - 0 0 34 -3,-0.8 2,-0.3 -6,-0.1 12,-0.3 -0.515 42.7-175.1 -76.5 149.7 30.5 24.1 -5.0 43 43 A T - 0 0 72 -2,-0.1 2,-0.3 10,-0.1 10,-0.2 -0.996 10.4-147.2-146.0 141.0 28.7 23.3 -1.6 44 44 A N E -C 52 0C 72 8,-0.9 8,-2.3 -2,-0.3 2,-0.7 -0.841 11.6-132.4-114.5 145.6 26.8 20.2 -0.3 45 45 A R E -C 51 0C 143 -2,-0.3 2,-0.3 6,-0.2 6,-0.2 -0.843 22.8-155.7-100.2 122.3 24.0 19.8 2.0 46 46 A N > - 0 0 37 4,-2.2 3,-1.7 -2,-0.7 6,-0.0 -0.713 22.8-128.0 -98.2 144.2 24.5 17.2 4.6 47 47 A T T 3 S+ 0 0 162 -2,-0.3 -1,-0.1 1,-0.3 4,-0.1 0.606 108.3 69.7 -64.4 -15.0 21.7 15.4 6.4 48 48 A D T 3 S- 0 0 78 2,-0.2 -1,-0.3 1,-0.1 3,-0.1 0.318 118.4-111.5 -83.5 6.1 23.4 16.3 9.7 49 49 A G S < S+ 0 0 34 -3,-1.7 -2,-0.1 1,-0.3 2,-0.1 0.175 84.3 116.6 83.6 -16.4 22.4 20.0 8.9 50 50 A S - 0 0 0 -5,-0.1 -4,-2.2 19,-0.0 -1,-0.3 -0.378 57.6-137.1 -77.8 162.5 26.0 20.9 8.4 51 51 A T E -C 45 0C 2 -6,-0.2 9,-1.7 -3,-0.1 2,-0.4 -0.800 6.5-127.2-119.3 163.9 27.1 22.1 5.0 52 52 A D E -CD 44 59C 14 -8,-2.3 -8,-0.9 -2,-0.3 2,-0.3 -0.948 27.6-167.8-115.1 133.5 30.2 21.4 2.9 53 53 A Y E > + D 0 58C 20 5,-2.6 5,-3.3 -2,-0.4 4,-0.3 -0.845 39.3 13.9-124.6 154.4 32.4 24.2 1.6 54 54 A G T > 5S- 0 0 3 -2,-0.3 3,-1.3 -12,-0.3 30,-0.2 0.008 101.8 -59.0 77.3 178.2 35.2 24.7 -0.9 55 55 A I T 3 5S+ 0 0 26 28,-0.4 -20,-0.2 1,-0.3 -1,-0.2 0.785 142.1 51.5 -62.7 -26.3 36.4 22.3 -3.6 56 56 A L T 3 5S- 0 0 42 -3,-0.2 -1,-0.3 27,-0.1 -2,-0.2 0.501 106.3-130.9 -84.9 -15.8 37.1 19.9 -0.6 57 57 A Q T < 5 - 0 0 10 -3,-1.3 -3,-0.2 -4,-0.3 2,-0.1 0.939 29.2-162.1 58.7 53.3 33.5 20.2 0.8 58 58 A I E < -D 53 0C 17 -5,-3.3 -5,-2.6 -6,-0.2 2,-0.5 -0.463 14.8-120.6 -70.0 136.3 34.7 20.9 4.3 59 59 A N E >> -D 52 0C 33 -7,-0.2 3,-1.0 -2,-0.1 4,-1.0 -0.716 3.0-141.5 -88.9 125.0 32.0 20.4 7.0 60 60 A S T 34 S+ 0 0 0 -9,-1.7 6,-0.2 -2,-0.5 7,-0.1 0.609 84.5 85.5 -53.0 -22.6 30.9 23.2 9.3 61 61 A R T 34 S+ 0 0 55 -10,-0.2 12,-3.1 1,-0.1 -1,-0.2 0.809 105.0 5.2 -56.2 -44.8 30.6 20.8 12.2 62 62 A W T <4 S+ 0 0 136 -3,-1.0 13,-1.0 10,-0.2 -1,-0.1 0.728 132.8 29.0-117.0 -30.9 34.1 20.6 13.7 63 63 A W S < S+ 0 0 40 -4,-1.0 13,-2.7 11,-0.2 12,-1.1 0.961 101.5 47.3 -99.6 -64.4 36.4 22.9 11.9 64 64 A c - 0 0 1 -5,-0.4 2,-0.5 10,-0.2 3,-0.2 -0.264 65.9-114.6 -93.1 166.4 34.8 26.2 10.5 65 65 A N B +e 79 0D 83 13,-2.1 15,-2.1 1,-0.1 16,-0.4 -0.896 50.4 133.1-101.3 111.4 32.5 29.1 11.3 66 66 A D - 0 0 42 -2,-0.5 -1,-0.1 3,-0.2 -6,-0.0 0.572 48.6-148.4-122.9 -33.6 29.2 29.5 9.4 67 67 A G S S+ 0 0 56 2,-0.4 4,-0.1 -3,-0.2 5,-0.1 -0.114 81.7 85.9 84.7 -21.7 27.0 30.1 12.6 68 68 A R S S+ 0 0 145 1,-0.1 -1,-0.1 2,-0.1 -3,-0.0 0.814 78.2 73.0 -75.3 -24.4 23.9 28.4 11.1 69 69 A T S > S- 0 0 6 -9,-0.1 3,-0.7 -18,-0.0 -2,-0.4 -0.810 86.0-149.3 -91.2 102.9 25.3 25.1 12.4 70 70 A P T 3 + 0 0 102 0, 0.0 3,-0.1 0, 0.0 -2,-0.1 -0.418 68.8 13.3 -77.6 149.9 24.8 25.4 16.2 71 71 A G T 3 S+ 0 0 81 1,-0.2 3,-0.1 -2,-0.1 -2,-0.0 0.381 88.5 149.7 70.3 -0.9 27.1 23.8 18.9 72 72 A S < - 0 0 24 -3,-0.7 2,-0.4 1,-0.1 -10,-0.2 -0.071 53.4-109.3 -63.4 154.7 29.8 23.1 16.3 73 73 A R - 0 0 126 -12,-3.1 2,-0.9 -3,-0.1 3,-0.2 -0.690 24.0-155.7 -82.0 136.7 33.4 23.0 17.2 74 74 A N + 0 0 42 -2,-0.4 -11,-0.2 1,-0.2 -10,-0.2 -0.829 34.4 149.8-115.5 94.2 35.2 25.9 15.7 75 75 A L S S+ 0 0 86 -12,-1.1 -12,-0.2 -13,-1.0 -1,-0.2 0.869 74.0 41.8 -90.9 -40.3 38.6 24.6 15.6 76 76 A d S S- 0 0 22 -13,-2.7 -12,-0.2 -3,-0.2 -2,-0.1 0.936 84.6-154.7 -69.2 -45.7 39.7 26.6 12.5 77 77 A N + 0 0 116 -14,-0.9 -13,-0.1 1,-0.3 -3,-0.1 0.803 51.9 120.8 67.9 37.1 38.1 29.9 13.6 78 78 A I S S- 0 0 44 -15,-0.2 -13,-2.1 12,-0.0 -1,-0.3 -0.857 74.4 -92.4-121.8 159.9 37.8 31.0 10.0 79 79 A P B >> -e 65 0D 65 0, 0.0 3,-1.9 0, 0.0 4,-0.7 -0.558 26.0-136.8 -72.6 136.8 34.9 31.9 7.8 80 80 A c H >> S+ 0 0 4 -15,-2.1 3,-1.4 1,-0.3 4,-0.7 0.864 108.1 66.2 -60.1 -28.6 33.7 28.9 5.9 81 81 A S H 3> S+ 0 0 74 -16,-0.4 4,-0.9 1,-0.3 3,-0.4 0.786 87.2 65.9 -61.1 -26.9 33.4 31.4 3.1 82 82 A A H X4 S+ 0 0 21 -3,-1.9 3,-0.9 1,-0.2 9,-0.3 0.898 94.8 59.8 -61.8 -32.8 37.2 31.7 3.3 83 83 A L H << S+ 0 0 7 -3,-1.4 -28,-0.4 -4,-0.7 -1,-0.2 0.768 103.5 50.5 -63.3 -30.3 37.0 28.1 2.1 84 84 A L H 3< S+ 0 0 47 -4,-0.7 -1,-0.3 -3,-0.4 -2,-0.2 0.683 84.3 130.6 -87.0 -11.4 35.3 29.2 -1.0 85 85 A S << - 0 0 47 -3,-0.9 6,-0.1 -4,-0.9 -3,-0.1 0.017 67.5-125.7 -52.9 145.9 37.7 31.9 -1.9 86 86 A S S S+ 0 0 102 1,-0.1 2,-0.8 2,-0.1 -1,-0.1 0.744 100.6 75.7 -59.5 -25.8 39.3 32.3 -5.4 87 87 A D S > S- 0 0 76 1,-0.1 3,-0.9 -5,-0.1 4,-0.3 -0.837 72.2-158.9-101.4 116.3 42.6 32.1 -3.6 88 88 A I T 3> + 0 0 37 -2,-0.8 4,-0.9 1,-0.2 3,-0.3 0.687 69.5 96.3 -56.9 -29.9 43.3 28.7 -2.5 89 89 A T H 3> S+ 0 0 52 1,-0.2 4,-0.9 2,-0.1 -1,-0.2 0.731 80.3 54.0 -40.8 -43.7 45.8 29.8 0.2 90 90 A A H X> S+ 0 0 32 -3,-0.9 4,-0.8 -8,-0.2 3,-0.6 0.962 101.3 51.4 -59.2 -63.4 43.1 29.6 3.0 91 91 A S H >> S+ 0 0 19 -9,-0.3 3,-1.4 -4,-0.3 4,-1.3 0.844 103.7 57.3 -44.7 -53.8 41.7 26.0 2.8 92 92 A V H >X S+ 0 0 22 -4,-0.9 4,-2.0 1,-0.3 3,-1.0 0.875 96.5 62.8 -49.1 -51.7 45.0 24.2 2.8 93 93 A N H << S+ 0 0 67 -4,-0.9 4,-0.4 -3,-0.6 -1,-0.3 0.774 112.2 35.4 -51.6 -35.1 46.2 25.6 6.1 94 94 A d H X S+ 0 0 49 -4,-2.0 4,-1.1 1,-0.3 3,-0.8 0.895 104.0 52.7 -49.5 -45.6 46.8 19.6 6.9 97 97 A K H 3> S+ 0 0 111 -4,-0.4 4,-1.1 1,-0.3 3,-0.5 0.895 98.0 64.0 -60.6 -43.1 45.7 19.4 10.5 98 98 A I H 3< S+ 0 0 11 -4,-1.0 6,-0.4 -3,-0.4 5,-0.4 0.807 101.8 49.8 -59.1 -27.3 42.6 17.4 9.7 99 99 A V H X<>S+ 0 0 11 -4,-1.0 3,-1.6 -3,-0.8 5,-0.8 0.886 104.0 59.1 -78.1 -28.9 44.8 14.5 8.6 100 100 A S H 3<5S+ 0 0 80 -4,-1.1 -2,-0.2 -3,-0.5 -1,-0.2 0.724 82.9 85.8 -64.0 -21.9 46.7 15.0 11.8 101 101 A D T 3<5S- 0 0 98 -4,-1.1 -1,-0.3 1,-0.1 -2,-0.2 0.602 110.4-113.2 -56.9 -13.1 43.3 14.2 13.4 102 102 A G T < 5S+ 0 0 65 -3,-1.6 -1,-0.1 -4,-0.1 -2,-0.1 -0.047 104.1 78.3 98.7 -21.6 44.3 10.5 13.0 103 103 A N T > 5S- 0 0 101 -5,-0.4 3,-1.4 1,-0.2 -4,-0.1 0.757 75.9-170.1 -85.6 -17.4 41.8 9.2 10.4 104 104 A G G > < - 0 0 2 -5,-0.8 3,-0.6 -6,-0.4 -1,-0.2 -0.345 67.4 -9.6 65.9-150.5 43.9 10.8 7.8 105 105 A M G > S+ 0 0 5 1,-0.3 3,-2.0 2,-0.2 7,-0.3 0.636 120.3 88.6 -52.2 -16.5 42.4 10.8 4.3 106 106 A N G < S+ 0 0 53 -3,-1.4 -1,-0.3 1,-0.3 -2,-0.2 0.253 70.9 73.6 -74.7 17.9 39.7 8.4 5.9 107 107 A A G < S+ 0 0 47 -3,-0.6 2,-0.4 -4,-0.0 -1,-0.3 0.678 85.0 76.5 -98.5 -28.0 37.8 11.5 6.9 108 108 A W <> - 0 0 41 -3,-2.0 4,-0.9 -4,-0.2 5,-0.2 -0.730 67.3-156.1 -91.0 133.8 36.8 11.9 3.2 109 109 A V H > S+ 0 0 85 -2,-0.4 4,-2.3 2,-0.2 5,-0.2 0.909 89.8 46.7 -71.8 -50.4 34.0 9.7 1.8 110 110 A A H >>S+ 0 0 11 1,-0.2 4,-1.7 2,-0.2 5,-0.7 0.985 111.1 48.0 -59.3 -66.6 34.9 9.9 -1.9 111 111 A W H >>S+ 0 0 21 3,-0.3 4,-2.3 2,-0.2 5,-1.7 0.821 117.0 46.4 -44.9 -40.0 38.8 9.3 -1.6 112 112 A R H X5S+ 0 0 90 -4,-0.9 4,-0.8 -7,-0.3 -2,-0.2 0.990 125.6 26.1 -68.8 -71.4 38.1 6.4 0.6 113 113 A N H <5S+ 0 0 131 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.330 141.8 27.0 -75.9 10.2 35.3 4.6 -1.3 114 114 A R H <5S+ 0 0 164 -4,-1.7 -3,-0.3 -5,-0.2 -1,-0.2 0.513 122.9 36.7-142.8 -19.1 36.6 6.2 -4.6 115 115 A b H ><> + 0 0 101 1,-0.2 3,-1.6 -2,-0.2 4,-0.6 -0.703 56.5 175.9 -91.6 91.1 47.0 4.0 -9.8 120 120 A V T 34 S+ 0 0 34 -2,-1.9 3,-0.5 1,-0.3 -1,-0.2 0.761 76.3 55.4 -61.7 -33.4 47.1 7.2 -7.8 121 121 A Q T 34 S+ 0 0 129 -3,-0.2 -1,-0.3 1,-0.2 -2,-0.1 0.361 92.2 74.2 -83.6 3.2 50.3 8.3 -9.6 122 122 A A T X4 S+ 0 0 33 -3,-1.6 3,-1.4 1,-0.2 -1,-0.2 0.839 86.2 61.8 -79.4 -37.0 48.4 7.9 -12.9 123 123 A W T 3< S+ 0 0 75 -4,-0.6 -1,-0.2 -3,-0.5 -2,-0.1 0.630 105.8 48.2 -59.8 -21.5 46.4 11.1 -12.3 124 124 A I T > S+ 0 0 29 -4,-0.2 3,-0.7 2,-0.0 -1,-0.3 0.417 88.3 114.0-104.0 -0.6 49.6 13.1 -12.2 125 125 A R T < + 0 0 159 -3,-1.4 3,-0.1 1,-0.2 -3,-0.1 -0.287 66.0 28.9 -74.8 161.2 51.2 11.7 -15.4 126 126 A G T 3 S+ 0 0 73 1,-0.3 -1,-0.2 -2,-0.0 2,-0.1 -0.023 99.2 106.5 84.8 -19.8 52.0 13.6 -18.7 127 127 A a S < S- 0 0 39 -3,-0.7 2,-0.6 1,-0.0 -1,-0.3 -0.253 75.3-116.1 -84.0 162.8 52.4 16.8 -16.7 128 128 A R 0 0 241 1,-0.1 -3,-0.0 -3,-0.1 -1,-0.0 -0.907 360.0 360.0-108.2 105.3 55.7 18.7 -15.8 129 129 A L 0 0 117 -2,-0.6 -1,-0.1 -5,-0.1 -119,-0.0 0.601 360.0 360.0-115.2 360.0 56.3 18.7 -12.0