==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 22-DEC-04 1YCF . COMPND 2 MOLECULE: NITRIC OXIDE REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MOORELLA THERMOACETICA; . AUTHOR R.SILAGHI-DUMITRESCU,D.M.KURTZ,W.N.LANZILOTTA . 1592 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 58932.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1132 71.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 186 11.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 149 9.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 15 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 5 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 140 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 128 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 445 28.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 34 2.1 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 4 0 4 12 4 1 7 1 7 0 1 3 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 6 5 15 3 7 5 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 . 7 5 24 4 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 . 13 0 0 4 4 3 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 2 A S 0 0 102 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -99.9 130.6 38.8 -153.9 2 3 A Q - 0 0 114 1,-0.1 2,-0.2 64,-0.0 61,-0.1 -0.105 360.0-126.9 -58.0 149.2 130.9 37.0 -150.5 3 4 A P - 0 0 24 0, 0.0 2,-0.5 0, 0.0 10,-0.2 -0.514 21.4-134.3 -88.4 163.2 128.0 35.1 -148.8 4 5 A V E -A 12 0A 47 8,-2.0 8,-4.1 -2,-0.2 2,-0.5 -0.984 9.9-132.6-126.3 128.7 127.0 36.0 -145.3 5 6 A A E -A 11 0A 50 -2,-0.5 6,-0.3 6,-0.3 3,-0.2 -0.669 15.6-173.4 -81.8 122.7 126.4 33.4 -142.6 6 7 A I E S- 0 0 28 4,-2.0 2,-0.3 -2,-0.5 -1,-0.2 0.790 82.0 -28.2 -77.5 -31.3 123.2 34.0 -140.6 7 8 A T E > S-A 10 0A 31 3,-1.6 3,-3.3 -3,-0.1 -1,-0.5 -0.895 98.3 -51.9-176.6 154.5 124.5 31.1 -138.5 8 9 A D T 3 S+ 0 0 113 1,-0.3 3,-0.1 -2,-0.3 -3,-0.0 -0.069 127.6 9.2 -40.4 118.8 126.7 28.0 -139.0 9 10 A G T 3 S+ 0 0 12 1,-0.1 33,-4.0 32,-0.1 2,-0.5 0.279 113.5 88.8 91.9 -12.8 125.4 26.1 -142.0 10 11 A I E < +AB 7 41A 0 -3,-3.3 -4,-2.0 31,-0.2 -3,-1.6 -0.979 56.3 178.9-123.2 121.5 122.9 28.8 -143.0 11 12 A Y E -AB 5 40A 60 29,-2.3 29,-2.3 -2,-0.5 2,-0.6 -0.902 32.8-127.0-127.2 151.6 124.0 31.5 -145.4 12 13 A W E +AB 4 39A 8 -8,-4.1 -8,-2.0 -2,-0.3 27,-0.2 -0.833 34.0 166.3 -89.8 122.8 122.7 34.5 -147.2 13 14 A V + 0 0 0 25,-3.7 50,-0.2 -2,-0.6 26,-0.2 0.004 32.4 116.2-129.3 29.0 123.5 34.0 -150.9 14 15 A G - 0 0 0 24,-0.4 2,-0.3 49,-0.1 23,-0.2 0.010 60.6-107.7 -83.8-166.4 121.4 36.7 -152.6 15 16 A A E -H 36 0B 0 21,-2.2 21,-2.8 2,-0.0 2,-0.5 -0.967 15.3-131.6-130.7 145.7 122.3 39.7 -154.6 16 17 A V E -H 35 0B 24 -2,-0.3 2,-0.9 19,-0.2 19,-0.3 -0.828 11.9-156.7 -97.6 128.5 122.2 43.5 -153.8 17 18 A D E +H 34 0B 15 17,-2.5 17,-1.9 -2,-0.5 156,-0.1 -0.823 20.9 167.4-107.1 92.8 120.7 45.7 -156.5 18 19 A W S S+ 0 0 133 -2,-0.9 -1,-0.2 15,-0.2 155,-0.1 0.855 72.0 44.3 -74.0 -37.8 122.1 49.2 -155.9 19 20 A N S S+ 0 0 137 13,-0.1 -1,-0.2 14,-0.1 14,-0.1 0.608 80.2 114.3 -88.7 -11.2 121.1 50.9 -159.1 20 21 A I + 0 0 38 1,-0.1 13,-0.8 14,-0.1 3,-0.1 -0.301 30.8 170.5 -60.8 139.7 117.4 49.8 -159.4 21 22 A R + 0 0 111 1,-0.2 9,-1.6 11,-0.1 2,-0.4 0.538 64.1 43.7-126.3 -15.6 114.9 52.6 -159.1 22 23 A Y E -I 29 0C 134 7,-0.3 3,-0.5 8,-0.1 7,-0.3 -0.873 65.5-169.4-139.7 104.3 111.6 51.1 -160.1 23 24 A F E >S+I 28 0C 5 5,-2.9 5,-0.7 -2,-0.4 4,-0.2 -0.435 73.7 28.8 -85.6 163.8 110.5 47.7 -158.9 24 25 A H T > 5S- 0 0 15 3,-0.2 3,-1.2 2,-0.1 -1,-0.2 0.877 131.0 -73.3 53.1 38.1 107.5 45.8 -160.2 25 26 A G T 3 5S- 0 0 21 -3,-0.5 635,-0.2 635,-0.3 636,-0.0 -0.673 107.5 -17.1 79.2-128.1 108.2 47.6 -163.5 26 27 A P T 3 5S+ 0 0 15 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.432 123.4 87.5 -91.1 1.4 107.1 51.3 -163.1 27 28 A A T < 5S+ 0 0 17 -3,-1.2 2,-0.4 -4,-0.2 -3,-0.2 0.972 83.7 31.3 -62.2 -92.8 105.0 50.5 -160.0 28 29 A F E - 0 0 2 -9,-1.6 3,-2.3 -2,-0.5 -8,-0.1 -0.759 8.4-177.2-109.2 84.8 113.0 52.1 -154.9 31 32 A H T 3 S+ 0 0 90 -2,-0.8 -1,-0.2 1,-0.3 141,-0.1 0.831 90.8 32.4 -48.0 -32.9 114.8 55.4 -154.2 32 33 A R T 3 S- 0 0 109 1,-0.4 141,-2.4 139,-0.3 -1,-0.3 -0.088 109.5-120.4-119.5 35.5 117.6 53.2 -152.7 33 34 A G < - 0 0 0 -3,-2.3 -1,-0.4 -13,-0.8 2,-0.2 -0.094 30.2-130.0 57.6-164.2 117.5 50.0 -154.8 34 35 A T E -H 17 0B 0 -17,-1.9 -17,-2.5 138,-0.3 2,-0.3 -0.747 8.2-112.6-156.3-157.4 116.8 46.7 -153.1 35 36 A T E -H 16 0B 0 -19,-0.3 2,-0.6 -2,-0.2 -19,-0.2 -0.967 9.4-137.2-151.1 158.6 118.1 43.1 -152.8 36 37 A Y E -H 15 0B 2 -21,-2.8 -21,-2.2 -2,-0.3 191,-0.2 -0.952 32.0-156.0-121.4 101.4 117.0 39.7 -153.8 37 38 A N + 0 0 0 189,-3.9 2,-0.3 -2,-0.6 14,-0.1 -0.539 17.6 174.2 -84.2 149.7 117.8 37.5 -150.8 38 39 A A - 0 0 0 -2,-0.2 -25,-3.7 14,-0.0 -24,-0.4 -0.966 15.6-147.9-152.2 138.9 118.3 33.8 -151.0 39 40 A Y E -BC 12 49A 2 10,-1.3 10,-2.9 -2,-0.3 2,-0.5 -0.939 2.7-157.0-121.9 137.6 119.3 31.4 -148.3 40 41 A L E -BC 11 48A 9 -29,-2.3 -29,-2.3 -2,-0.4 2,-0.6 -0.937 5.3-160.5-112.6 125.5 121.4 28.2 -148.4 41 42 A I E -BC 10 47A 1 6,-2.9 6,-2.3 -2,-0.5 2,-0.9 -0.907 4.4-159.4-109.7 113.7 121.1 25.5 -145.6 42 43 A V + 0 0 53 -33,-4.0 2,-0.2 -2,-0.6 4,-0.2 -0.790 36.4 129.9 -97.7 102.4 124.0 23.1 -145.4 43 44 A D S S- 0 0 22 -2,-0.9 3,-0.3 92,-0.1 91,-0.2 -0.536 84.2 -60.6-129.0-165.4 123.0 19.9 -143.6 44 45 A D S S+ 0 0 119 89,-0.7 2,-0.3 1,-0.3 90,-0.2 0.765 143.8 30.0 -54.8 -20.0 123.4 16.2 -144.3 45 46 A K S S- 0 0 81 88,-1.4 -1,-0.3 -4,-0.0 2,-0.1 -0.883 93.1-142.8-142.2 103.8 121.2 17.4 -147.2 46 47 A T - 0 0 17 -2,-0.3 28,-2.5 -3,-0.3 29,-1.3 -0.426 19.4-166.4 -70.7 141.9 121.8 21.0 -148.3 47 48 A A E -Cd 41 75A 0 -6,-2.3 -6,-2.9 26,-0.2 2,-0.4 -0.914 13.5-143.5-130.2 155.3 118.8 23.1 -149.5 48 49 A L E -Cd 40 76A 0 27,-1.9 29,-3.7 -2,-0.3 2,-0.8 -0.979 7.8-151.8-121.9 128.0 118.2 26.4 -151.3 49 50 A V E -Cd 39 77A 0 -10,-2.9 -10,-1.3 -2,-0.4 29,-0.2 -0.865 63.5 -37.0-103.0 108.0 115.4 28.8 -150.5 50 51 A D - 0 0 6 27,-3.7 27,-0.1 -2,-0.8 36,-0.1 0.169 64.3-125.8 66.2 170.2 114.4 30.8 -153.5 51 52 A T - 0 0 3 34,-1.5 2,-0.3 -13,-0.1 35,-0.2 -0.037 29.3 -87.3-122.4-130.6 116.7 32.1 -156.1 52 53 A V - 0 0 0 -2,-0.1 36,-1.3 -38,-0.1 33,-0.3 -0.982 43.3 -73.1-154.2 157.5 117.3 35.5 -157.6 53 54 A Y > - 0 0 68 31,-1.0 3,-3.2 -2,-0.3 31,-0.2 -0.309 57.2-115.7 -51.0 124.1 116.2 38.1 -160.2 54 55 A E G > S+ 0 0 81 29,-0.6 3,-2.7 1,-0.3 4,-0.3 0.793 111.8 64.6 -33.6 -52.0 117.6 36.6 -163.4 55 56 A P G 3 S+ 0 0 59 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.535 106.7 45.4 -55.0 -5.9 120.1 39.5 -164.0 56 57 A F G <> S+ 0 0 46 -3,-3.2 4,-1.9 2,-0.1 -2,-0.2 0.116 75.9 111.1-124.5 20.1 121.9 38.4 -160.8 57 58 A K H <> S+ 0 0 61 -3,-2.7 4,-2.6 1,-0.2 5,-0.3 0.917 75.1 57.5 -61.2 -44.1 122.0 34.7 -161.4 58 59 A E H > S+ 0 0 110 -4,-0.3 4,-3.1 1,-0.2 -1,-0.2 0.901 106.2 51.0 -52.9 -43.0 125.8 34.7 -161.8 59 60 A E H > S+ 0 0 59 2,-0.2 4,-2.7 3,-0.2 -1,-0.2 0.936 111.1 47.8 -60.4 -48.4 126.0 36.3 -158.4 60 61 A L H X S+ 0 0 0 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.981 116.5 41.2 -55.1 -63.4 123.8 33.6 -156.8 61 62 A I H X S+ 0 0 33 -4,-2.6 4,-2.7 1,-0.2 3,-0.3 0.923 113.4 55.0 -51.1 -49.5 125.7 30.7 -158.4 62 63 A A H X S+ 0 0 47 -4,-3.1 4,-0.5 -5,-0.3 -1,-0.2 0.916 110.3 46.3 -51.1 -46.7 129.0 32.4 -157.7 63 64 A K H < S+ 0 0 5 -4,-2.7 4,-0.3 -50,-0.2 -1,-0.2 0.800 110.0 53.8 -67.9 -30.9 128.0 32.7 -154.0 64 65 A L H >X S+ 0 0 4 -4,-2.1 3,-2.4 -3,-0.3 4,-1.9 0.952 103.7 53.9 -68.9 -49.6 126.9 29.0 -153.9 65 66 A K H 3< S+ 0 0 103 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.696 100.6 66.1 -58.5 -16.2 130.2 27.7 -155.3 66 67 A Q T 3< S+ 0 0 95 -4,-0.5 -1,-0.3 -5,-0.3 -2,-0.2 0.649 104.6 40.2 -81.5 -14.6 131.7 29.6 -152.4 67 68 A I T <4 S- 0 0 47 -3,-2.4 2,-0.3 1,-0.3 -2,-0.2 0.838 142.4 -4.7 -94.5 -46.2 130.2 27.5 -149.7 68 69 A K < - 0 0 132 -4,-1.9 -1,-0.3 1,-0.2 4,-0.2 -0.908 68.8-149.6-150.0 115.0 130.7 24.2 -151.6 69 70 A D S S+ 0 0 104 -2,-0.3 2,-1.0 -3,-0.2 -1,-0.2 0.978 89.0 58.0 -56.6 -74.2 132.1 24.2 -155.1 70 71 A P S S- 0 0 99 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.476 104.4-125.6 -60.1 106.5 130.5 21.2 -156.7 71 72 A V - 0 0 25 -2,-1.0 -2,-0.1 1,-0.1 -6,-0.1 -0.398 31.5-173.0 -60.7 118.4 127.1 22.6 -156.0 72 73 A K + 0 0 80 -2,-0.3 -1,-0.1 -4,-0.2 -25,-0.0 0.960 12.7 164.7 -75.0 -87.6 125.1 20.0 -154.1 73 74 A L + 0 0 2 -26,-0.1 -26,-0.2 26,-0.1 27,-0.1 0.990 8.4 172.6 64.6 84.5 121.5 21.1 -153.8 74 75 A D S S+ 0 0 37 -28,-2.5 26,-3.1 1,-0.2 2,-0.4 0.907 73.4 30.1 -83.2 -48.5 119.2 18.2 -152.7 75 76 A Y E -de 47 100A 31 -29,-1.3 -27,-1.9 24,-0.2 2,-0.4 -0.870 61.8-166.5-115.3 146.8 116.2 20.5 -152.2 76 77 A L E -de 48 101A 0 24,-2.4 26,-2.5 -2,-0.4 2,-0.6 -0.953 15.0-155.3-131.2 107.3 115.2 23.7 -153.9 77 78 A V E -de 49 102A 0 -29,-3.7 -27,-3.7 -2,-0.4 2,-0.9 -0.771 6.5-164.6 -92.6 121.6 112.4 25.6 -152.1 78 79 A V E + e 0 103A 4 24,-2.6 26,-0.5 -2,-0.6 3,-0.1 -0.820 14.7 170.4-105.4 91.2 110.3 28.0 -154.1 79 80 A N S S+ 0 0 0 -2,-0.9 73,-0.8 1,-0.2 2,-0.3 0.732 75.8 2.9 -69.7 -24.3 108.5 30.1 -151.5 80 81 A H - 0 0 1 71,-0.2 -1,-0.2 -3,-0.1 3,-0.1 -0.974 55.5-153.9-161.6 148.0 107.3 32.4 -154.2 81 82 A T + 0 0 4 -2,-0.3 5,-0.2 1,-0.1 4,-0.1 0.510 52.5 125.1-107.8 -5.8 107.5 32.5 -158.1 82 83 A E S S- 0 0 7 1,-0.2 -1,-0.1 3,-0.1 0, 0.0 0.667 75.1-114.3 -16.8 -67.6 107.2 36.2 -158.7 83 84 A S S > S+ 0 0 24 -3,-0.1 4,-1.4 -32,-0.0 -29,-0.6 -0.071 106.9 75.4 148.0 -39.3 110.4 36.6 -160.7 84 85 A D T 4 S+ 0 0 0 -31,-0.2 -31,-1.0 1,-0.2 -2,-0.1 0.577 117.7 29.6 -72.1 -6.5 112.6 38.9 -158.6 85 86 A H T 4 S+ 0 0 0 -33,-0.3 -34,-1.5 -4,-0.1 3,-0.3 0.699 128.9 34.8-119.2 -38.2 112.9 35.6 -156.8 86 87 A A T >4 S+ 0 0 4 -5,-0.2 3,-2.2 -35,-0.2 -2,-0.1 0.378 83.5 103.4-103.0 4.0 112.4 32.7 -159.3 87 88 A G T 3< S+ 0 0 6 -4,-1.4 4,-0.3 1,-0.3 -34,-0.2 0.828 83.4 49.0 -54.3 -35.4 114.1 34.4 -162.3 88 89 A A T 3> S+ 0 0 1 -36,-1.3 4,-2.6 -3,-0.3 -1,-0.3 0.106 80.6 108.1 -92.8 22.0 117.2 32.2 -161.8 89 90 A F H <> S+ 0 0 1 -3,-2.2 4,-2.5 2,-0.2 5,-0.2 0.977 80.7 43.0 -62.9 -57.1 115.1 29.1 -161.6 90 91 A P H > S+ 0 0 46 0, 0.0 4,-1.9 0, 0.0 5,-0.2 0.911 114.8 52.2 -57.2 -38.5 116.2 27.7 -165.0 91 92 A A H > S+ 0 0 20 -4,-0.3 4,-1.9 1,-0.2 -2,-0.2 0.920 113.8 41.4 -63.0 -44.6 119.8 28.7 -164.3 92 93 A I H X S+ 0 0 0 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.793 113.3 55.2 -72.6 -28.0 119.8 26.9 -160.9 93 94 A M H < S+ 0 0 1 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.787 108.6 47.0 -75.1 -29.4 117.9 24.0 -162.4 94 95 A E H < S+ 0 0 141 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.893 109.8 53.8 -76.9 -40.6 120.6 23.6 -165.2 95 96 A L H < S+ 0 0 50 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.886 130.5 15.3 -59.4 -39.7 123.3 23.8 -162.5 96 97 A C >< + 0 0 3 -4,-1.8 3,-1.4 1,-0.1 -1,-0.3 -0.733 66.3 171.0-138.7 86.2 121.6 21.0 -160.6 97 98 A P T 3 S+ 0 0 24 0, 0.0 24,-0.4 0, 0.0 -1,-0.1 0.824 78.1 64.6 -64.6 -31.2 119.0 19.1 -162.7 98 99 A D T 3 S+ 0 0 65 1377,-0.1 1378,-0.1 22,-0.1 2,-0.1 0.385 76.8 133.2 -73.2 3.3 118.6 16.4 -160.0 99 100 A A < - 0 0 0 -3,-1.4 2,-0.8 -6,-0.2 22,-0.6 -0.318 56.0-133.8 -65.3 137.1 117.2 19.0 -157.6 100 101 A H E -ef 75 121A 40 -26,-3.1 -24,-2.4 -27,-0.1 2,-0.4 -0.815 23.3-145.5 -91.3 108.0 114.1 18.1 -155.5 101 102 A V E -e 76 0A 0 20,-2.9 2,-0.5 -2,-0.8 22,-0.3 -0.623 11.4-164.1 -81.8 129.8 111.7 21.2 -155.8 102 103 A L E +e 77 0A 1 -26,-2.5 -24,-2.6 -2,-0.4 2,-0.3 -0.960 32.2 123.8-112.9 123.2 109.6 22.0 -152.7 103 104 A C E -eg 78 124A 0 20,-0.7 22,-3.1 -2,-0.5 -24,-0.1 -0.954 56.3 -84.1-163.0-179.8 106.7 24.3 -153.3 104 105 A T > - 0 0 5 -26,-0.5 4,-1.6 46,-0.4 19,-0.1 -0.181 46.0-104.9 -83.3-174.7 102.9 24.9 -153.0 105 106 A Q H > S+ 0 0 93 20,-0.3 4,-2.4 2,-0.2 5,-0.2 0.952 121.1 46.6 -77.8 -52.4 100.5 23.8 -155.6 106 107 A R H > S+ 0 0 111 1,-0.2 4,-2.4 2,-0.2 44,-0.2 0.811 111.2 55.6 -59.2 -30.6 99.8 27.2 -157.2 107 108 A A H > S+ 0 0 0 2,-0.2 4,-3.5 43,-0.2 5,-0.2 0.973 106.8 48.9 -63.8 -55.0 103.6 27.7 -157.2 108 109 A F H X S+ 0 0 30 -4,-1.6 4,-3.1 1,-0.2 5,-0.2 0.907 112.0 48.8 -49.0 -50.6 104.1 24.5 -159.2 109 110 A D H X S+ 0 0 67 -4,-2.4 4,-1.4 2,-0.2 -1,-0.2 0.934 114.1 45.1 -57.9 -49.5 101.4 25.6 -161.7 110 111 A S H X S+ 0 0 1 -4,-2.4 4,-3.2 2,-0.2 5,-0.2 0.914 112.9 51.7 -60.4 -45.4 103.0 29.1 -162.1 111 112 A L H X>S+ 0 0 1 -4,-3.5 4,-1.3 1,-0.2 5,-0.7 0.931 110.1 47.9 -58.8 -47.8 106.4 27.5 -162.4 112 113 A K H <5S+ 0 0 63 -4,-3.1 -1,-0.2 -5,-0.2 -2,-0.2 0.774 116.2 46.3 -65.5 -24.7 105.3 25.1 -165.1 113 114 A A H <5S+ 0 0 48 -4,-1.4 -2,-0.2 -5,-0.2 -1,-0.2 0.879 113.6 45.4 -83.5 -42.2 103.6 28.0 -166.9 114 115 A H H <5S+ 0 0 48 -4,-3.2 -2,-0.2 -5,-0.1 -3,-0.2 0.586 135.5 9.4 -77.1 -12.5 106.5 30.5 -166.6 115 116 A Y T <5 + 0 0 57 -4,-1.3 -3,-0.2 -5,-0.2 -2,-0.1 0.663 68.1 156.4-132.8 -56.4 109.0 27.9 -167.7 116 117 A S < + 0 0 53 -5,-0.7 -3,-0.1 2,-0.2 -2,-0.0 -0.049 61.6 76.7 45.6-164.4 107.9 24.5 -169.0 117 118 A H S S+ 0 0 133 1,-0.1 2,-0.4 -5,-0.1 -1,-0.2 0.639 89.3 88.0 43.1 9.0 110.7 23.0 -171.1 118 119 A I - 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