==== 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 13-JUL-04 1VL7 . COMPND 2 MOLECULE: HYPOTHETICAL PROTEIN ALR5027; . SOURCE 2 ORGANISM_SCIENTIFIC: NOSTOC SP.; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 270 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12470.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 191 70.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 86 31.9 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 . 4 1.5 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 . 25 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 54 20.0 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+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 2 0 0 0 2 2 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 0 0 4 0 2 0 4 0 0 0 2 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 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 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 11 A Y > 0 0 145 0, 0.0 4,-2.7 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -21.4 9.3 33.5 7.2 2 12 A A H > + 0 0 54 2,-0.2 4,-1.6 1,-0.2 0, 0.0 0.852 360.0 53.1 -69.4 -31.8 8.9 34.8 3.6 3 13 A G H 4 S+ 0 0 53 2,-0.2 4,-0.4 1,-0.2 -1,-0.2 0.876 108.6 50.0 -57.6 -41.9 12.6 35.7 4.2 4 14 A F H >4 S+ 0 0 7 1,-0.2 3,-1.9 2,-0.2 -2,-0.2 0.934 106.1 53.1 -64.9 -47.6 13.0 32.0 5.2 5 15 A I H >< S+ 0 0 9 -4,-2.7 3,-2.2 1,-0.3 -1,-0.2 0.882 99.3 65.0 -56.8 -35.7 11.2 30.7 2.1 6 16 A Q T 3< S+ 0 0 94 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.667 89.5 67.8 -64.4 -16.8 13.6 32.8 -0.1 7 17 A E T < S+ 0 0 113 -3,-1.9 2,-0.3 -4,-0.4 -1,-0.3 0.548 93.3 77.1 -74.5 -9.8 16.5 30.6 1.2 8 18 A F < - 0 0 12 -3,-2.2 3,-0.1 -4,-0.2 21,-0.1 -0.827 51.5-170.4-112.2 146.4 15.1 27.6 -0.7 9 19 A Q S S+ 0 0 66 -2,-0.3 20,-1.6 1,-0.1 2,-0.3 0.623 82.1 24.4 -96.4 -19.3 15.1 26.4 -4.3 10 20 A S E -A 28 0A 2 18,-0.3 2,-0.4 29,-0.0 -1,-0.1 -0.883 67.0-135.7-142.3 163.0 12.6 23.6 -3.6 11 21 A A E -A 27 0A 1 16,-2.4 16,-2.4 -2,-0.3 2,-0.5 -0.958 22.2-121.5-118.5 150.9 9.9 22.4 -1.2 12 22 A I E -AB 26 60A 8 48,-2.9 48,-2.9 -2,-0.4 2,-0.4 -0.752 33.5-161.0 -84.1 129.4 9.3 19.1 0.4 13 23 A I E -AB 25 59A 0 12,-1.8 12,-2.1 -2,-0.5 2,-0.5 -0.967 9.0-163.2-122.0 129.8 5.8 18.0 -0.7 14 24 A S E +AB 24 58A 0 44,-2.3 44,-2.4 -2,-0.4 10,-0.2 -0.968 21.2 166.2-115.4 125.8 3.8 15.3 1.1 15 25 A T E -A 23 0A 0 8,-2.2 8,-2.1 -2,-0.5 2,-0.4 -0.665 29.1-124.7-134.8 176.4 0.9 13.8 -0.7 16 26 A I E -A 22 0A 7 40,-0.4 38,-0.2 38,-0.3 37,-0.1 -0.999 20.9-133.7-135.2 132.3 -1.5 10.8 -0.6 17 27 A S > - 0 0 15 4,-2.0 3,-2.1 -2,-0.4 33,-0.1 -0.240 33.4-100.7 -79.6 172.0 -2.2 8.2 -3.2 18 28 A E T 3 S+ 0 0 99 1,-0.3 -1,-0.1 2,-0.1 32,-0.0 0.811 126.9 51.1 -61.0 -27.8 -5.5 6.9 -4.4 19 29 A Q T 3 S- 0 0 151 2,-0.1 -1,-0.3 0, 0.0 -2,-0.0 0.215 123.5-103.8 -94.6 12.7 -4.9 3.9 -2.2 20 30 A G S < S+ 0 0 27 -3,-2.1 -2,-0.1 1,-0.2 172,-0.1 0.662 72.1 142.8 79.0 18.6 -4.1 6.0 0.9 21 31 A I - 0 0 62 130,-0.0 -4,-2.0 172,-0.0 -1,-0.2 -0.833 45.9-132.9 -96.7 122.8 -0.3 5.6 0.9 22 32 A P E -A 16 0A 2 0, 0.0 2,-0.4 0, 0.0 -6,-0.2 -0.377 21.6-164.1 -72.0 155.0 1.6 8.8 1.9 23 33 A N E -A 15 0A 16 -8,-2.1 -8,-2.2 128,-0.1 2,-0.4 -0.999 10.2-160.3-138.1 140.9 4.5 10.0 -0.2 24 34 A G E +A 14 0A 2 -2,-0.4 2,-0.2 -10,-0.2 -10,-0.2 -0.980 31.8 132.7-116.3 133.8 7.3 12.5 0.5 25 35 A S E -A 13 0A 10 -12,-2.1 -12,-1.8 -2,-0.4 2,-0.3 -0.761 42.0-113.6-152.9-162.4 9.2 14.1 -2.3 26 36 A Y E -A 12 0A 11 -14,-0.3 -14,-0.2 -2,-0.2 21,-0.1 -0.971 18.4-169.5-144.6 158.9 10.4 17.5 -3.4 27 37 A A E -A 11 0A 0 -16,-2.4 -16,-2.4 -2,-0.3 14,-0.1 -0.975 30.1-111.4-149.7 137.7 9.7 20.0 -6.2 28 38 A P E -A 10 0A 5 0, 0.0 12,-1.2 0, 0.0 2,-0.3 -0.366 46.3-169.1 -59.0 148.4 11.4 23.2 -7.3 29 39 A F E -C 39 0A 5 -20,-1.6 2,-0.3 10,-0.2 10,-0.2 -0.898 21.7-160.6-139.3 162.4 9.1 26.1 -6.7 30 40 A V E -C 38 0A 3 8,-1.8 8,-2.8 -2,-0.3 2,-0.4 -0.934 10.9-148.1-135.2 159.8 8.5 29.8 -7.3 31 41 A I E -C 37 0A 54 -2,-0.3 6,-0.2 6,-0.2 4,-0.0 -0.998 20.3-142.2-123.5 127.8 6.4 32.4 -5.6 32 42 A D > - 0 0 33 4,-2.0 3,-2.2 -2,-0.4 64,-0.0 -0.213 35.2 -87.2 -84.2-178.4 4.8 35.2 -7.6 33 43 A D T 3 S+ 0 0 175 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.769 130.4 53.6 -58.1 -28.6 4.3 39.0 -6.8 34 44 A A T 3 S- 0 0 75 2,-0.1 -1,-0.3 0, 0.0 -2,-0.0 0.204 121.6-111.7 -91.1 10.1 1.0 38.2 -5.1 35 45 A K < + 0 0 115 -3,-2.2 2,-0.2 1,-0.2 -2,-0.1 0.613 64.2 152.2 65.0 25.8 2.9 35.6 -3.0 36 46 A N - 0 0 50 87,-0.1 -4,-2.0 1,-0.0 2,-0.4 -0.541 39.3-132.1 -74.2 144.1 1.3 32.5 -4.5 37 47 A I E -CD 31 122A 7 85,-0.7 85,-2.5 -6,-0.2 2,-0.3 -0.866 24.4-176.6-102.1 136.6 3.4 29.3 -4.5 38 48 A Y E -CD 30 121A 1 -8,-2.8 -8,-1.8 -2,-0.4 2,-0.3 -0.984 9.9-160.4-131.7 141.0 3.8 27.1 -7.6 39 49 A I E -CD 29 120A 0 81,-2.3 81,-2.1 -2,-0.3 2,-0.5 -0.888 9.5-148.0-116.2 152.7 5.6 23.7 -8.2 40 50 A Y E + D 0 119A 1 -12,-1.2 2,-0.3 -2,-0.3 79,-0.2 -0.984 31.7 170.6-123.2 111.1 6.7 22.3 -11.6 41 51 A V E - D 0 118A 3 77,-2.4 77,-2.9 -2,-0.5 2,-0.2 -0.928 33.4-102.9-137.0 153.8 6.5 18.5 -11.7 42 52 A S > - 0 0 18 -2,-0.3 3,-1.5 75,-0.2 6,-0.3 -0.428 20.0-134.7 -73.6 142.7 6.8 15.5 -13.9 43 53 A G T 3 S+ 0 0 12 1,-0.3 -1,-0.1 -2,-0.2 74,-0.1 0.698 107.4 57.8 -65.8 -15.7 3.7 13.6 -15.1 44 54 A L T 3 S+ 0 0 143 4,-0.1 -1,-0.3 5,-0.0 2,-0.1 0.592 83.6 107.1 -87.4 -13.3 5.6 10.4 -14.3 45 55 A A S <> S- 0 0 1 -3,-1.5 4,-2.4 1,-0.1 3,-0.2 -0.392 70.2-135.6 -76.8 145.3 6.2 11.3 -10.6 46 56 A V H > S+ 0 0 81 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.928 108.5 58.2 -59.2 -42.1 4.3 9.6 -7.8 47 57 A H H > S+ 0 0 10 1,-0.2 4,-2.5 224,-0.2 -1,-0.2 0.889 107.5 46.2 -54.9 -39.5 3.8 13.0 -6.2 48 58 A T H > S+ 0 0 0 -6,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.931 111.5 49.5 -72.8 -44.9 2.0 14.2 -9.4 49 59 A K H X S+ 0 0 112 -4,-2.4 4,-1.3 2,-0.2 -2,-0.2 0.909 112.4 50.5 -59.4 -38.5 -0.2 11.1 -9.7 50 60 A N H >X S+ 0 0 10 -4,-2.8 4,-2.8 -5,-0.2 3,-0.7 0.956 109.9 48.4 -62.0 -51.9 -1.1 11.6 -6.1 51 61 A I H 3< S+ 0 0 8 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.879 108.0 55.1 -57.1 -40.3 -2.0 15.2 -6.5 52 62 A E H 3< S+ 0 0 87 -4,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.808 117.0 37.7 -62.5 -29.1 -4.1 14.4 -9.6 53 63 A A H << S+ 0 0 59 -4,-1.3 -2,-0.2 -3,-0.7 -1,-0.2 0.755 134.8 16.5 -90.0 -33.3 -6.1 11.9 -7.4 54 64 A N < - 0 0 42 -4,-2.8 -38,-0.3 -5,-0.2 -1,-0.3 -0.918 66.5-154.5-147.2 110.1 -6.2 13.9 -4.1 55 65 A P + 0 0 60 0, 0.0 28,-2.5 0, 0.0 2,-0.3 0.505 59.1 111.6 -73.4 -3.0 -5.3 17.7 -4.2 56 66 A L E + E 0 82A 46 26,-0.2 -40,-0.4 -6,-0.1 2,-0.4 -0.564 40.8 169.6 -75.9 132.3 -4.2 17.9 -0.5 57 67 A V E - E 0 81A 1 24,-2.2 24,-2.5 -2,-0.3 2,-0.4 -0.989 27.8-145.9-144.2 131.7 -0.5 18.6 -0.2 58 68 A N E -BE 14 80A 0 -44,-2.4 -44,-2.3 -2,-0.4 2,-0.5 -0.826 18.2-155.0 -95.6 134.6 1.7 19.5 2.8 59 69 A V E -BE 13 79A 0 20,-2.5 20,-2.4 -2,-0.4 2,-0.4 -0.959 11.7-171.8-113.6 124.7 4.6 21.9 1.8 60 70 A L E -BE 12 78A 3 -48,-2.9 -48,-2.9 -2,-0.5 2,-0.6 -0.975 16.7-170.4-123.3 128.7 7.6 21.9 4.1 61 71 A F E + E 0 77A 1 16,-3.1 16,-2.6 -2,-0.4 2,-0.4 -0.975 23.4 172.7-110.3 109.9 10.6 24.2 4.0 62 72 A V E - E 0 76A 11 -2,-0.6 14,-0.2 14,-0.2 13,-0.1 -0.979 35.3-105.5-127.7 132.3 13.2 22.7 6.4 63 73 A D - 0 0 13 12,-2.9 5,-0.1 -2,-0.4 -55,-0.0 -0.217 43.9 -98.8 -49.5 142.2 16.8 23.8 6.9 64 74 A D > - 0 0 19 1,-0.1 3,-1.2 3,-0.1 4,-0.2 -0.259 29.4-119.0 -53.7 151.5 19.5 21.6 5.4 65 75 A E G > S+ 0 0 24 1,-0.3 3,-2.0 2,-0.2 -1,-0.1 0.865 114.7 65.6 -63.0 -36.7 21.1 19.3 7.9 66 76 A A G 3 S+ 0 0 77 1,-0.3 -1,-0.3 3,-0.0 -2,-0.1 0.788 101.3 49.6 -53.2 -28.7 24.4 21.1 7.2 67 77 A K G < S+ 0 0 77 -3,-1.2 2,-0.6 1,-0.1 -1,-0.3 0.440 98.5 85.2 -88.2 -1.4 22.8 24.3 8.7 68 78 A T < + 0 0 21 -3,-2.0 3,-0.1 -4,-0.2 -1,-0.1 -0.870 43.6 173.9-117.7 112.1 21.7 22.5 11.8 69 79 A N S S+ 0 0 170 -2,-0.6 2,-0.6 1,-0.2 -1,-0.2 0.813 81.4 43.2 -81.4 -34.0 23.8 21.9 14.9 70 80 A Q S > S- 0 0 63 3,-0.2 3,-2.6 1,-0.1 -1,-0.2 -0.953 73.9-156.5-117.6 109.1 21.1 20.4 17.1 71 81 A I G > S+ 0 0 3 -2,-0.6 3,-0.5 1,-0.3 -1,-0.1 0.741 91.7 60.1 -61.9 -26.2 19.1 17.9 15.1 72 82 A F G 3 S+ 0 0 22 1,-0.2 62,-0.5 168,-0.1 -1,-0.3 0.479 104.6 53.8 -79.2 -0.9 16.0 18.2 17.4 73 83 A A G < + 0 0 24 -3,-2.6 2,-0.7 60,-0.2 59,-0.4 -0.424 70.0 157.3-128.9 57.1 15.9 22.0 16.6 74 84 A R < - 0 0 14 -3,-0.5 56,-0.1 60,-0.1 88,-0.1 -0.726 44.6-122.4 -86.1 115.6 15.8 22.0 12.8 75 85 A R + 0 0 69 -2,-0.7 -12,-2.9 -11,-0.1 2,-0.3 -0.337 47.3 158.9 -62.0 134.0 14.3 25.3 11.6 76 86 A R E -EF 62 130A 13 54,-2.2 54,-2.9 -14,-0.2 2,-0.4 -0.999 33.6-157.9-160.2 155.8 11.3 24.7 9.4 77 87 A L E -EF 61 129A 0 -16,-2.6 -16,-3.1 -2,-0.3 2,-0.4 -1.000 18.2-176.7-135.0 132.7 8.0 26.1 8.0 78 88 A S E -EF 60 128A 25 50,-2.1 50,-1.8 -2,-0.4 2,-0.4 -0.984 7.5-165.9-140.7 147.6 5.1 24.1 6.8 79 89 A F E -EF 59 127A 12 -20,-2.4 -20,-2.5 -2,-0.4 2,-0.7 -0.990 21.8-133.5-126.6 136.9 1.8 24.8 5.2 80 90 A D E -EF 58 126A 50 46,-2.4 45,-3.1 -2,-0.4 46,-0.8 -0.823 44.8-178.6 -84.8 122.7 -1.3 22.7 4.7 81 91 A C E -EF 57 124A 5 -24,-2.5 -24,-2.2 -2,-0.7 2,-0.4 -0.744 32.7-141.2-125.7 163.9 -2.2 23.3 1.0 82 92 A T E -EF 56 123A 55 41,-1.5 41,-2.9 -2,-0.3 2,-0.4 -0.990 27.4-137.3-119.0 132.4 -4.7 22.6 -1.7 83 93 A A E - F 0 122A 9 -28,-2.5 2,-0.4 -2,-0.4 39,-0.2 -0.742 17.1-173.3 -97.5 141.2 -3.3 22.0 -5.3 84 94 A T E - F 0 121A 64 37,-2.5 37,-2.7 -2,-0.4 2,-0.5 -0.998 24.9-125.3-130.1 135.4 -4.8 23.4 -8.5 85 95 A L E - F 0 120A 109 -2,-0.4 2,-0.4 35,-0.2 35,-0.2 -0.719 19.5-143.9 -80.2 121.5 -3.6 22.5 -12.0 86 96 A I E - F 0 119A 19 33,-2.6 33,-0.5 -2,-0.5 2,-0.1 -0.722 31.4-106.9 -86.7 125.7 -2.7 25.5 -14.1 87 97 A E > - 0 0 146 -2,-0.4 3,-1.9 1,-0.1 6,-0.4 -0.321 39.8-102.5 -60.7 127.6 -3.7 24.9 -17.7 88 98 A R T 3 S+ 0 0 84 1,-0.3 -1,-0.1 -2,-0.1 3,-0.1 -0.204 98.6 3.1 -55.8 136.5 -0.7 24.3 -19.9 89 99 A E T 3 S+ 0 0 119 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.538 89.7 138.7 59.3 15.2 0.3 27.2 -22.1 90 100 A S S <> S- 0 0 33 -3,-1.9 4,-2.5 1,-0.1 -1,-0.2 -0.343 72.7-103.1 -65.8 165.3 -2.3 29.6 -20.7 91 101 A Q H > S+ 0 0 157 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.926 125.2 50.4 -60.5 -41.0 -0.9 33.1 -20.2 92 102 A K H > S+ 0 0 79 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.924 108.5 52.7 -62.0 -44.7 -0.6 32.4 -16.4 93 103 A W H > S+ 0 0 3 -6,-0.4 4,-3.0 1,-0.2 5,-0.3 0.943 110.8 46.4 -57.2 -48.7 1.2 29.1 -17.1 94 104 A N H X S+ 0 0 51 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.872 110.9 52.2 -65.0 -34.6 3.7 30.8 -19.3 95 105 A Q H X S+ 0 0 104 -4,-2.2 4,-1.4 -5,-0.2 -1,-0.2 0.917 113.3 44.9 -63.1 -40.8 4.3 33.6 -16.8 96 106 A V H X S+ 0 0 3 -4,-2.6 4,-2.0 2,-0.2 3,-0.3 0.934 113.2 48.7 -68.7 -47.7 4.9 31.0 -14.0 97 107 A V H X S+ 0 0 0 -4,-3.0 4,-2.6 1,-0.2 -1,-0.2 0.872 105.4 59.6 -63.3 -35.6 7.2 28.9 -16.1 98 108 A D H X S+ 0 0 87 -4,-2.1 4,-2.2 -5,-0.3 -1,-0.2 0.915 104.3 50.7 -54.9 -39.9 9.1 32.1 -17.1 99 109 A Q H X S+ 0 0 61 -4,-1.4 4,-2.1 -3,-0.3 -2,-0.2 0.909 109.4 50.6 -65.0 -39.6 9.8 32.5 -13.4 100 110 A F H X S+ 0 0 0 -4,-2.0 4,-2.8 1,-0.2 5,-0.4 0.907 109.6 50.4 -59.2 -43.6 11.0 28.9 -13.2 101 111 A Q H X S+ 0 0 61 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.895 108.6 52.4 -66.3 -36.8 13.3 29.6 -16.2 102 112 A E H < S+ 0 0 112 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.895 117.7 38.0 -63.1 -40.3 14.6 32.7 -14.5 103 113 A R H < S+ 0 0 99 -4,-2.1 -2,-0.2 -5,-0.1 -1,-0.2 0.846 131.5 23.2 -74.5 -40.5 15.5 30.7 -11.3 104 114 A F H >< S- 0 0 24 -4,-2.8 3,-0.6 1,-0.2 -3,-0.2 0.499 89.1-154.9-118.2 -12.0 16.6 27.4 -12.9 105 115 A G T >X + 0 0 28 -4,-2.3 3,-1.9 -5,-0.4 4,-0.7 -0.336 56.6 5.5 84.5-147.9 17.8 28.0 -16.4 106 116 A Q H 3> S+ 0 0 109 1,-0.3 4,-1.7 2,-0.2 3,-0.4 0.731 114.8 66.5 -58.6 -31.8 18.1 25.8 -19.5 107 117 A I H <> S+ 0 0 30 -3,-0.6 4,-2.4 1,-0.2 -1,-0.3 0.829 99.2 55.7 -60.0 -30.3 16.5 22.7 -18.1 108 118 A I H <> S+ 0 0 0 -3,-1.9 4,-2.7 2,-0.2 5,-0.3 0.867 102.3 55.7 -71.7 -34.2 13.3 24.7 -18.0 109 119 A E H X S+ 0 0 106 -4,-0.7 4,-1.4 -3,-0.4 -2,-0.2 0.931 111.4 44.6 -57.5 -45.2 13.6 25.5 -21.7 110 120 A V H X S+ 0 0 74 -4,-1.7 4,-2.5 1,-0.2 5,-0.4 0.948 116.0 45.3 -62.8 -50.8 13.8 21.8 -22.4 111 121 A L H X S+ 0 0 25 -4,-2.4 4,-1.9 1,-0.2 6,-0.5 0.892 110.9 50.6 -66.2 -41.8 11.0 20.8 -20.1 112 122 A R H < S+ 0 0 40 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.843 118.1 41.0 -69.2 -28.8 8.5 23.4 -21.2 113 123 A G H < S+ 0 0 51 -4,-1.4 -2,-0.2 -5,-0.3 -1,-0.2 0.851 130.5 18.8 -80.1 -40.6 9.0 22.6 -24.8 114 124 A L H < S+ 0 0 154 -4,-2.5 2,-0.3 -5,-0.2 -3,-0.2 0.642 109.9 64.4-113.8 -21.3 9.2 18.8 -24.8 115 125 A A S < S- 0 0 28 -4,-1.9 2,-1.1 -5,-0.4 -73,-0.0 -0.795 70.8-128.3-116.0 150.2 7.6 17.4 -21.6 116 126 A D + 0 0 101 -2,-0.3 2,-0.1 2,-0.0 -4,-0.1 -0.316 47.0 166.0 -88.2 55.2 4.2 17.5 -20.2 117 127 A F - 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