==== 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 UNKNOWN FUNCTION 24-APR-09 3H79 . COMPND 2 MOLECULE: THIOREDOXIN-LIKE PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: TRYPANOSOMA CRUZI; . AUTHOR C.R.SANTOS,M.R.FESSEL,L.C.VIEIRA,M.A.KRIEGER,S.GOLDENBERG, . 115 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6833.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 83 72.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 11 9.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 9 7.8 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.9 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 . 15 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 35 30.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.9 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 0 1 1 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 0 0 0 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 PARALLEL BRIDGES PER LADDER . 0 1 0 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 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 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 13 A R 0 0 196 0, 0.0 2,-0.2 0, 0.0 44,-0.0 0.000 360.0 360.0 360.0 168.5 12.8 -15.6 -5.0 2 14 A P + 0 0 65 0, 0.0 2,-0.3 0, 0.0 46,-0.2 -0.613 360.0 172.7 -65.0 140.0 13.9 -13.4 -2.1 3 15 A S + 0 0 54 -2,-0.2 41,-0.1 44,-0.1 42,-0.1 -0.986 41.5 177.8-150.7 148.0 12.1 -10.0 -2.5 4 16 A R + 0 0 158 40,-0.4 57,-0.3 -2,-0.3 2,-0.2 0.044 46.6 137.4-124.3 22.2 11.5 -6.7 -0.7 5 17 A V - 0 0 28 55,-0.1 2,-0.5 57,-0.1 57,-0.2 -0.496 51.0-134.2 -70.9 137.1 9.4 -5.3 -3.6 6 18 A V E -a 62 0A 52 55,-2.4 57,-2.5 -2,-0.2 2,-0.7 -0.816 10.8-140.8 -92.4 123.9 6.3 -3.4 -2.5 7 19 A E E -a 63 0A 86 -2,-0.5 2,-0.2 55,-0.2 57,-0.2 -0.808 25.7-154.5 -84.4 113.5 3.1 -4.3 -4.5 8 20 A L - 0 0 0 55,-3.2 57,-0.5 -2,-0.7 2,-0.3 -0.571 13.6-167.8 -85.7 157.8 1.1 -1.1 -5.1 9 21 A T > - 0 0 36 -2,-0.2 4,-1.8 55,-0.1 3,-0.1 -0.803 44.1 -96.6-129.0 175.5 -2.5 -0.5 -5.7 10 22 A D T 4 S+ 0 0 59 -2,-0.3 4,-0.4 1,-0.2 59,-0.0 0.852 124.8 50.5 -63.0 -29.1 -4.3 2.6 -6.8 11 23 A E T 4 S+ 0 0 175 1,-0.2 4,-0.3 2,-0.1 -1,-0.2 0.807 118.6 34.6 -75.9 -34.3 -5.0 3.4 -3.0 12 24 A T T > S+ 0 0 49 1,-0.1 4,-1.9 2,-0.1 5,-0.3 0.581 91.0 95.6 -97.4 -4.0 -1.5 3.0 -1.8 13 25 A F H X S+ 0 0 0 -4,-1.8 4,-2.9 1,-0.2 5,-0.4 0.894 89.0 38.6 -58.4 -53.1 0.4 4.4 -4.8 14 26 A D H > S+ 0 0 74 -4,-0.4 4,-1.9 1,-0.2 -1,-0.2 0.876 111.5 57.8 -66.9 -37.6 0.9 8.0 -3.8 15 27 A S H 4 S+ 0 0 83 -4,-0.3 -1,-0.2 2,-0.2 -2,-0.2 0.854 120.1 29.2 -61.8 -31.1 1.6 7.2 -0.1 16 28 A I H >< S+ 0 0 42 -4,-1.9 3,-0.8 -3,-0.3 -2,-0.2 0.909 126.8 39.3 -92.0 -49.2 4.5 5.0 -1.1 17 29 A V H 3< S+ 0 0 0 -4,-2.9 7,-0.3 -5,-0.3 -3,-0.2 0.876 118.2 45.1 -73.8 -36.1 5.8 6.5 -4.3 18 30 A M T 3< S+ 0 0 42 -4,-1.9 -1,-0.2 -5,-0.4 -3,-0.1 0.355 78.2 131.1 -93.2 9.7 5.5 10.2 -3.5 19 31 A D X - 0 0 50 -3,-0.8 3,-1.9 1,-0.2 5,-0.1 -0.389 53.9-145.3 -62.1 124.2 6.9 9.8 0.0 20 32 A P T 3 S+ 0 0 87 0, 0.0 -1,-0.2 0, 0.0 71,-0.0 0.626 95.1 57.2 -75.5 -6.7 9.6 12.6 0.3 21 33 A E T 3 S+ 0 0 127 69,-0.0 2,-0.4 67,-0.0 68,-0.1 0.489 101.6 70.1 -92.5 -3.1 11.8 10.5 2.5 22 34 A K < - 0 0 63 -3,-1.9 2,-0.7 67,-0.1 37,-0.2 -0.884 65.5-145.8-120.3 147.5 12.1 7.7 -0.1 23 35 A D E -b 59 0A 7 35,-2.2 37,-2.7 -2,-0.4 2,-0.6 -0.950 33.4-165.9-102.6 111.5 13.7 7.1 -3.5 24 36 A V E -bC 60 87A 0 63,-2.7 63,-3.0 -2,-0.7 2,-0.7 -0.912 15.6-162.6-113.8 116.4 11.1 4.9 -5.1 25 37 A F E -bC 61 86A 0 35,-2.9 37,-2.7 -2,-0.6 2,-0.5 -0.888 18.1-159.1-101.4 115.5 11.8 2.9 -8.3 26 38 A V E -bC 62 85A 0 59,-2.9 59,-2.2 -2,-0.7 2,-0.6 -0.811 11.1-160.3 -99.6 128.1 8.4 1.8 -9.8 27 39 A L E -bC 63 84A 0 35,-2.3 37,-2.4 -2,-0.5 2,-0.6 -0.950 7.2-160.5 -99.4 119.1 8.0 -1.1 -12.3 28 40 A Y E +bC 64 83A 0 55,-3.4 55,-2.1 -2,-0.6 2,-0.3 -0.910 28.5 163.2 -96.8 122.6 4.7 -0.9 -14.2 29 41 A Y E -b 65 0A 13 35,-2.3 37,-3.1 -2,-0.6 38,-0.4 -0.905 40.9-138.3-134.6 165.4 4.0 -4.4 -15.6 30 42 A V > - 0 0 9 -2,-0.3 3,-1.4 35,-0.2 6,-0.2 -0.999 23.0-141.2-122.6 134.0 1.3 -6.6 -17.0 31 43 A P T 3 S+ 0 0 53 0, 0.0 6,-0.1 0, 0.0 -1,-0.1 0.737 91.6 61.2 -75.2 -20.6 1.5 -10.1 -15.7 32 44 A W T 3 S+ 0 0 165 4,-0.1 2,-0.5 5,-0.0 3,-0.1 0.375 86.0 90.4 -87.1 2.7 0.7 -12.0 -18.9 33 45 A S X> - 0 0 28 -3,-1.4 4,-2.6 1,-0.1 3,-0.6 -0.883 69.9-144.3 -96.2 132.9 3.6 -10.8 -20.8 34 46 A R H 3> S+ 0 0 218 -2,-0.5 4,-2.5 1,-0.3 5,-0.2 0.863 103.0 55.3 -56.1 -39.7 7.0 -12.7 -20.7 35 47 A H H 3> S+ 0 0 116 2,-0.2 4,-1.7 1,-0.2 -1,-0.3 0.882 108.4 47.2 -63.0 -41.2 8.9 -9.4 -20.8 36 48 A S H <> S+ 0 0 0 -3,-0.6 4,-2.4 -6,-0.2 -2,-0.2 0.877 109.4 54.1 -67.9 -39.6 7.1 -8.1 -17.7 37 49 A V H X S+ 0 0 76 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.914 109.4 48.2 -53.3 -45.7 7.7 -11.4 -15.9 38 50 A A H X S+ 0 0 60 -4,-2.5 4,-2.2 -5,-0.2 -1,-0.2 0.901 110.6 50.8 -59.0 -45.3 11.4 -11.0 -16.6 39 51 A A H X S+ 0 0 2 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.848 106.0 56.8 -66.1 -33.2 11.2 -7.4 -15.3 40 52 A M H X S+ 0 0 27 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.929 107.6 47.0 -61.4 -44.8 9.4 -8.7 -12.1 41 53 A R H X S+ 0 0 90 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.921 110.7 52.4 -59.9 -44.3 12.3 -11.1 -11.4 42 54 A L H X S+ 0 0 11 -4,-2.2 4,-3.1 1,-0.2 -1,-0.2 0.922 108.2 52.3 -57.5 -43.0 14.8 -8.2 -12.0 43 55 A W H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 -39,-0.2 0.895 106.8 51.2 -66.4 -36.2 12.8 -6.1 -9.5 44 56 A D H X S+ 0 0 26 -4,-2.2 4,-1.9 2,-0.2 -40,-0.4 0.963 113.6 45.7 -58.1 -49.7 13.0 -8.8 -6.8 45 57 A D H X S+ 0 0 40 -4,-2.6 4,-3.0 1,-0.2 -2,-0.2 0.901 110.8 52.9 -65.0 -37.4 16.8 -8.9 -7.3 46 58 A L H X S+ 0 0 0 -4,-3.1 4,-2.9 2,-0.2 5,-0.3 0.910 106.7 53.5 -61.1 -45.0 17.0 -5.1 -7.4 47 59 A S H X S+ 0 0 6 -4,-2.6 4,-1.2 2,-0.2 -1,-0.2 0.912 112.9 43.3 -57.7 -41.0 15.2 -4.9 -4.0 48 60 A M H X S+ 0 0 53 -4,-1.9 4,-0.7 -46,-0.2 -2,-0.2 0.922 113.3 51.0 -71.7 -41.1 17.6 -7.3 -2.4 49 61 A S H >< S+ 0 0 26 -4,-3.0 3,-1.5 1,-0.2 -2,-0.2 0.952 112.5 46.4 -61.2 -45.3 20.7 -5.7 -4.0 50 62 A Q H >< S+ 0 0 5 -4,-2.9 3,-1.4 1,-0.3 -1,-0.2 0.799 100.9 66.9 -70.1 -24.3 19.6 -2.3 -2.8 51 63 A S H 3< S+ 0 0 21 -4,-1.2 -1,-0.3 -5,-0.3 -2,-0.2 0.741 104.2 46.3 -67.5 -18.7 18.9 -3.6 0.7 52 64 A Q T << S+ 0 0 170 -3,-1.5 -1,-0.3 -4,-0.7 -2,-0.2 0.345 100.3 86.0-105.2 8.8 22.6 -4.3 1.1 53 65 A K S X S- 0 0 91 -3,-1.4 3,-2.0 -4,-0.2 -3,-0.0 -0.537 94.3 -94.6-110.6 172.1 23.9 -0.9 -0.2 54 66 A R T 3 S+ 0 0 165 1,-0.3 3,-0.4 -2,-0.2 -4,-0.0 0.784 120.5 52.5 -60.9 -30.0 24.4 2.4 1.6 55 67 A N T >> S+ 0 0 34 1,-0.2 4,-2.2 2,-0.1 3,-1.8 0.140 70.9 121.6 -89.1 18.2 20.9 3.8 0.6 56 68 A H T <4 + 0 0 96 -3,-2.0 -1,-0.2 1,-0.3 -2,-0.1 0.701 68.8 55.4 -59.2 -21.5 19.0 0.8 2.0 57 69 A L T 34 S+ 0 0 126 -3,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.679 118.9 31.6 -87.3 -15.6 16.9 2.9 4.4 58 70 A T T <4 S+ 0 0 38 -3,-1.8 -35,-2.2 -36,-0.1 2,-0.3 0.617 98.2 91.2-110.6 -25.2 15.6 5.3 1.7 59 71 A F E < - b 0 23A 18 -4,-2.2 2,-0.4 -37,-0.2 -35,-0.2 -0.607 48.9-179.8 -79.6 136.6 15.4 3.1 -1.4 60 72 A V E - b 0 24A 25 -37,-2.7 -35,-2.9 -2,-0.3 2,-0.5 -0.995 17.4-154.5-132.1 133.6 12.2 1.3 -2.2 61 73 A A E + b 0 25A 2 -2,-0.4 -55,-2.4 -57,-0.3 2,-0.3 -0.898 28.3 172.1-100.9 125.1 11.5 -1.0 -5.2 62 74 A A E -ab 6 26A 0 -37,-2.7 -35,-2.3 -2,-0.5 2,-0.3 -0.913 14.0-167.3-131.2 158.0 7.8 -1.0 -5.9 63 75 A R E -ab 7 27A 51 -57,-2.5 -55,-3.2 -2,-0.3 2,-0.4 -0.987 3.8-162.3-143.4 156.0 5.6 -2.5 -8.7 64 76 A I E - b 0 28A 0 -37,-2.4 -35,-2.3 -2,-0.3 2,-0.7 -0.998 23.8-124.2-142.8 139.4 2.1 -2.1 -9.9 65 77 A D E > - b 0 29A 24 -57,-0.5 4,-2.0 -2,-0.4 -35,-0.2 -0.724 17.7-163.4 -79.4 105.7 -0.1 -4.3 -12.2 66 78 A G T 4 S+ 0 0 7 -37,-3.1 7,-0.2 -2,-0.7 -36,-0.2 0.677 88.2 57.4 -68.8 -17.4 -1.3 -2.0 -15.0 67 79 A E T 4 S+ 0 0 115 -38,-0.4 -1,-0.2 1,-0.2 -37,-0.1 0.892 113.6 39.2 -75.5 -38.5 -4.0 -4.5 -16.0 68 80 A K T 4 S+ 0 0 137 1,-0.2 -2,-0.2 2,-0.1 -1,-0.2 0.814 127.2 35.0 -79.6 -28.3 -5.5 -4.4 -12.5 69 81 A Y >X + 0 0 38 -4,-2.0 4,-1.7 1,-0.1 3,-0.6 -0.546 60.3 154.6-127.0 65.4 -4.9 -0.6 -12.0 70 82 A P H 3> S+ 0 0 79 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.835 72.5 68.4 -66.5 -23.9 -5.5 1.1 -15.4 71 83 A D H 3> S+ 0 0 73 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.925 101.4 45.1 -52.8 -47.4 -6.4 4.2 -13.4 72 84 A V H <> S+ 0 0 1 -3,-0.6 4,-3.1 2,-0.2 -1,-0.2 0.873 109.3 55.3 -66.4 -42.9 -2.8 4.6 -12.3 73 85 A I H <>S+ 0 0 22 -4,-1.7 5,-2.3 2,-0.2 4,-0.4 0.932 112.6 44.3 -58.1 -41.5 -1.4 3.9 -15.8 74 86 A E H ><5S+ 0 0 160 -4,-2.5 3,-1.0 3,-0.2 -2,-0.2 0.948 115.0 46.3 -65.6 -47.7 -3.6 6.7 -17.1 75 87 A R H 3<5S+ 0 0 120 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.911 117.1 44.0 -63.9 -38.4 -2.7 9.1 -14.2 76 88 A M T 3<5S- 0 0 27 -4,-3.1 -1,-0.3 -5,-0.2 -2,-0.2 0.433 108.8-123.9 -91.4 1.1 1.1 8.4 -14.4 77 89 A R T < 5 + 0 0 215 -3,-1.0 2,-0.5 -4,-0.4 -3,-0.2 0.933 47.1 166.3 57.9 50.6 1.1 8.5 -18.3 78 90 A V < - 0 0 14 -5,-2.3 -1,-0.2 -6,-0.1 3,-0.1 -0.886 15.4-176.8 -95.8 133.4 2.5 5.1 -18.8 79 91 A S - 0 0 122 -2,-0.5 2,-0.3 1,-0.2 -1,-0.1 0.359 59.4 -1.1-117.4 6.2 2.2 4.0 -22.5 80 92 A G S S- 0 0 28 -52,-0.0 -1,-0.2 -51,-0.0 -52,-0.1 -0.975 82.4 -58.5-179.6 176.1 3.6 0.4 -22.5 81 93 A F S S+ 0 0 73 -2,-0.3 -52,-0.1 1,-0.2 2,-0.1 -0.971 97.8 25.6-136.5 149.2 5.1 -2.3 -20.4 82 94 A P S S+ 0 0 10 0, 0.0 2,-0.4 0, 0.0 -53,-0.2 0.570 73.7 170.6 -76.8 152.0 7.4 -2.8 -18.7 83 95 A T E -C 28 0A 10 -55,-2.1 -55,-3.4 -2,-0.1 2,-0.5 -0.990 13.2-166.3-124.7 136.9 8.1 0.8 -17.7 84 96 A M E +C 27 0A 3 14,-0.5 14,-2.9 -2,-0.4 2,-0.4 -0.975 11.6 172.0-129.4 116.9 10.5 1.6 -14.9 85 97 A R E -CD 26 97A 34 -59,-2.2 -59,-2.9 -2,-0.5 2,-0.6 -0.985 23.4-142.5-131.7 139.2 10.6 5.1 -13.5 86 98 A Y E -CD 25 96A 1 10,-2.7 10,-2.3 -2,-0.4 2,-0.9 -0.906 9.1-167.2-111.5 111.4 12.6 6.4 -10.4 87 99 A Y E -C 24 0A 3 -63,-3.0 -63,-2.7 -2,-0.6 5,-0.2 -0.859 20.5-160.9-100.7 93.5 10.7 8.9 -8.2 88 100 A T - 0 0 5 3,-1.1 -65,-0.2 -2,-0.9 -66,-0.1 -0.183 33.9 -91.6 -79.7 170.7 13.5 10.3 -6.0 89 101 A R S S+ 0 0 133 1,-0.2 3,-0.2 -68,-0.1 -67,-0.1 0.881 126.9 21.5 -47.3 -50.0 13.2 12.1 -2.7 90 102 A I S S+ 0 0 147 1,-0.2 2,-1.0 -69,-0.1 3,-0.3 0.701 117.2 66.3 -93.7 -24.2 13.1 15.4 -4.4 91 103 A D + 0 0 32 1,-0.2 -3,-1.1 2,-0.1 5,-0.2 -0.697 50.4 135.3-105.7 79.9 12.1 14.5 -7.9 92 104 A K S S+ 0 0 14 -2,-1.0 -1,-0.2 -5,-0.2 -3,-0.1 0.689 73.7 46.1 -92.5 -27.6 8.5 13.2 -7.7 93 105 A Q S S+ 0 0 164 -3,-0.3 -2,-0.1 1,-0.2 -1,-0.1 0.575 119.7 33.9 -96.1 -12.6 7.0 15.0 -10.7 94 106 A E S S- 0 0 168 2,-0.0 -1,-0.2 3,-0.0 3,-0.1 -0.455 84.9-173.4-138.1 57.3 9.7 14.4 -13.4 95 107 A P - 0 0 32 0, 0.0 2,-0.6 0, 0.0 -8,-0.2 -0.054 31.0-102.1 -54.3 156.0 11.0 10.9 -12.5 96 108 A F E -D 86 0A 73 -10,-2.3 -10,-2.7 -5,-0.2 2,-0.4 -0.697 33.4-142.9 -81.2 127.0 13.9 9.3 -14.2 97 109 A E E -D 85 0A 90 -2,-0.6 2,-0.7 -12,-0.2 -12,-0.2 -0.730 6.4-142.5 -91.1 128.8 12.9 6.8 -16.8 98 110 A Y + 0 0 16 -14,-2.9 -14,-0.5 -2,-0.4 9,-0.0 -0.846 32.5 158.4 -92.2 119.4 15.1 3.7 -17.2 99 111 A S + 0 0 114 -2,-0.7 -1,-0.1 -16,-0.1 3,-0.1 0.180 39.8 105.7-120.9 13.2 15.4 2.7 -20.8 100 112 A G S S- 0 0 32 1,-0.2 -2,-0.0 6,-0.1 7,-0.0 -0.113 83.6 -57.8 -87.5-174.2 18.6 0.6 -20.6 101 113 A Q - 0 0 125 1,-0.1 2,-1.7 5,-0.0 -1,-0.2 -0.334 54.4-114.9 -68.5 149.9 19.1 -3.1 -20.8 102 114 A R + 0 0 108 -3,-0.1 2,-0.3 4,-0.1 -1,-0.1 -0.370 69.0 119.6 -92.8 64.7 17.3 -5.1 -18.1 103 115 A Y > - 0 0 135 -2,-1.7 4,-2.2 1,-0.1 3,-0.4 -0.939 68.0-118.0-129.9 150.0 20.1 -6.5 -16.0 104 116 A L H > S+ 0 0 57 -2,-0.3 4,-3.2 1,-0.2 5,-0.3 0.882 108.8 52.5 -57.7 -47.3 20.8 -6.0 -12.3 105 117 A S H > S+ 0 0 85 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.925 112.1 46.2 -58.2 -39.5 24.2 -4.4 -12.6 106 118 A L H > S+ 0 0 67 -3,-0.4 4,-2.3 2,-0.2 -1,-0.2 0.905 113.7 48.0 -72.0 -37.3 23.0 -1.8 -15.1 107 119 A V H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.931 110.9 51.4 -71.3 -38.9 19.8 -1.0 -13.0 108 120 A D H X S+ 0 0 18 -4,-3.2 4,-2.4 -5,-0.2 -1,-0.2 0.906 110.1 50.0 -60.4 -41.5 21.9 -0.7 -9.8 109 121 A S H X S+ 0 0 72 -4,-2.2 4,-2.7 -5,-0.3 -2,-0.2 0.917 108.7 51.5 -65.3 -40.0 24.3 1.7 -11.6 110 122 A F H X S+ 0 0 30 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.915 109.1 52.2 -61.1 -41.4 21.4 3.8 -12.8 111 123 A V H X S+ 0 0 0 -4,-2.6 4,-1.0 1,-0.2 3,-0.3 0.968 110.7 46.8 -55.5 -50.1 20.1 4.0 -9.3 112 124 A F H >< S+ 0 0 132 -4,-2.4 3,-0.7 1,-0.2 -2,-0.2 0.935 113.8 47.7 -61.0 -44.6 23.5 5.2 -8.0 113 125 A Q H 3< S+ 0 0 151 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.755 117.0 41.4 -65.8 -30.9 23.8 7.8 -10.7 114 126 A N H 3< 0 0 38 -4,-1.9 -1,-0.2 -3,-0.3 -2,-0.2 0.399 360.0 360.0-102.3 3.9 20.4 9.3 -10.3 115 127 A T << 0 0 85 -4,-1.0 -27,-0.0 -3,-0.7 -92,-0.0 -0.548 360.0 360.0 -88.9 360.0 20.0 9.3 -6.6