==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 19-OCT-09 3KAF . COMPND 2 MOLECULE: PEPTIDYL-PROLYL CIS-TRANS ISOMERASE NIMA- . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR L.M.BAKER,P.DOKURNO,D.A.ROBINSON,A.E.SURGENOR,J.B.MURRAY, . 145 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8176.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 89 61.4 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 . 28 19.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 1.4 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 . 2 1.4 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 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 29 20.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.4 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 0 1 1 0 0 0 0 0 0 1 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 . 1 1 1 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 1 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 7 A L 0 0 111 0, 0.0 3,-0.2 0, 0.0 4,-0.1 0.000 360.0 360.0 360.0 146.0 29.5 -43.0 23.0 2 8 A P > - 0 0 61 0, 0.0 3,-1.4 0, 0.0 2,-0.6 0.492 360.0 -18.9 -65.3-158.3 32.0 -41.4 20.7 3 9 A P T 3 S- 0 0 80 0, 0.0 19,-0.2 0, 0.0 0, 0.0 -0.314 125.8 -26.5 -58.7 99.5 34.3 -38.2 21.0 4 10 A G T 3 S+ 0 0 20 -2,-0.6 17,-1.7 1,-0.2 18,-0.4 0.676 93.5 144.0 75.0 25.0 32.9 -36.0 23.9 5 11 A W E < -A 20 0A 23 -3,-1.4 2,-0.3 15,-0.2 -1,-0.2 -0.646 23.0-179.1 -94.2 154.1 29.3 -37.1 23.7 6 12 A E E -A 19 0A 84 13,-1.2 13,-2.1 -2,-0.2 2,-0.2 -0.983 30.4-107.6-155.9 140.3 27.2 -37.4 26.9 7 13 A K E +A 18 0A 119 -2,-0.3 2,-0.3 11,-0.2 11,-0.2 -0.481 41.9 173.4 -65.0 135.6 23.7 -38.3 27.9 8 14 A A E -A 17 0A 18 9,-1.9 9,-1.7 -2,-0.2 2,-0.4 -0.921 24.1-128.2-141.3 165.2 21.5 -35.4 29.1 9 15 A M E -A 16 0A 122 -2,-0.3 2,-0.2 7,-0.2 7,-0.2 -0.934 25.4-112.6-122.3 140.6 17.8 -35.0 30.0 10 16 A S > - 0 0 24 5,-1.5 4,-0.9 -2,-0.4 6,-0.0 -0.515 11.3-154.3 -78.2 134.3 15.3 -32.5 28.7 11 17 A R T 4 S+ 0 0 238 -2,-0.2 -1,-0.1 2,-0.1 0, 0.0 0.918 99.0 31.2 -68.8 -46.1 13.9 -29.7 31.0 12 18 A S T 4 S+ 0 0 127 1,-0.1 -1,-0.1 3,-0.1 -2,-0.1 0.851 133.3 28.9 -73.2 -39.4 10.7 -29.3 29.0 13 19 A S T 4 S- 0 0 55 2,-0.2 -2,-0.1 0, 0.0 3,-0.1 0.828 81.6-134.7-102.6 -41.9 10.3 -32.9 27.7 14 20 A G < + 0 0 54 -4,-0.9 2,-0.4 1,-0.3 -3,-0.1 0.619 63.1 130.5 82.3 15.2 11.8 -35.5 30.1 15 21 A R - 0 0 136 1,-0.0 -5,-1.5 0, 0.0 2,-0.4 -0.816 64.0-112.3-101.4 139.8 13.5 -37.2 27.1 16 22 A V E +A 9 0A 52 -2,-0.4 -7,-0.2 -7,-0.2 2,-0.2 -0.553 41.6 172.3 -66.9 118.6 17.1 -38.3 26.8 17 23 A Y E -A 8 0A 56 -9,-1.7 -9,-1.9 -2,-0.4 2,-0.3 -0.612 28.8-115.8-109.7-175.4 19.0 -36.2 24.2 18 24 A Y E -AB 7 27A 19 9,-2.7 9,-1.3 -2,-0.2 2,-0.3 -0.955 24.1-165.6-125.2 144.8 22.8 -36.2 23.5 19 25 A F E -AB 6 26A 60 -13,-2.1 -13,-1.2 -2,-0.3 2,-0.6 -0.980 11.6-149.5-131.5 138.4 25.2 -33.2 24.0 20 26 A N E > -A 5 0A 0 5,-3.1 4,-1.8 -2,-0.3 5,-0.3 -0.945 4.0-167.7-112.7 113.9 28.7 -32.7 22.7 21 27 A H T 4 S+ 0 0 117 -17,-1.7 -1,-0.1 -2,-0.6 -16,-0.1 0.752 88.3 52.2 -71.2 -22.2 30.8 -30.5 25.0 22 28 A I T 4 S+ 0 0 54 -18,-0.4 -1,-0.2 -19,-0.2 98,-0.2 0.912 125.0 22.2 -79.7 -44.0 33.5 -30.2 22.3 23 29 A T T 4 S- 0 0 1 -19,-0.1 108,-2.2 2,-0.1 -2,-0.2 0.517 95.2-130.5 -99.2 -6.5 31.3 -29.0 19.5 24 30 A N < + 0 0 55 -4,-1.8 2,-0.2 1,-0.2 -3,-0.2 0.582 60.9 142.0 59.5 16.5 28.3 -27.7 21.6 25 31 A A - 0 0 7 -5,-0.3 -5,-3.1 106,-0.2 2,-0.3 -0.477 31.9-170.1 -81.8 155.3 26.0 -29.7 19.3 26 32 A S E +B 19 0A 48 -7,-0.2 2,-0.3 -2,-0.2 -7,-0.2 -0.973 9.8 166.3-149.7 137.9 22.9 -31.5 20.5 27 33 A Q E -B 18 0A 34 -9,-1.3 -9,-2.7 -2,-0.3 -2,-0.0 -0.870 37.4-124.9-141.8 167.4 20.7 -34.0 18.8 28 34 A W S S+ 0 0 123 -2,-0.3 2,-0.2 -11,-0.2 -1,-0.1 0.845 85.2 76.4 -86.4 -36.8 18.0 -36.4 19.8 29 35 A E S S- 0 0 134 1,-0.1 -2,-0.2 -11,-0.1 -11,-0.1 -0.472 96.8 -95.8 -82.3 144.2 19.3 -39.6 18.4 30 36 A R - 0 0 149 -2,-0.2 -1,-0.1 1,-0.1 -2,-0.1 -0.462 59.0 -99.1 -54.4 119.9 22.2 -41.6 20.0 31 37 A P 0 0 7 0, 0.0 -1,-0.1 0, 0.0 -26,-0.0 -0.115 360.0 360.0 -50.8 136.6 25.3 -40.3 18.0 32 38 A S 0 0 143 -3,-0.1 -2,-0.0 -31,-0.1 0, 0.0 -0.033 360.0 360.0 173.5 360.0 26.9 -42.3 15.1 33 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 34 51 A E 0 0 161 0, 0.0 2,-0.1 0, 0.0 89,-0.1 0.000 360.0 360.0 360.0 143.3 39.3 -39.6 13.7 35 52 A P - 0 0 44 0, 0.0 3,-0.1 0, 0.0 0, 0.0 -0.456 360.0-129.3 -86.5 158.2 40.4 -38.3 10.1 36 53 A A S S+ 0 0 84 1,-0.2 74,-0.6 -2,-0.1 2,-0.3 0.861 90.1 17.5 -75.8 -40.0 43.7 -36.6 9.2 37 54 A R E -C 109 0B 124 72,-0.2 2,-0.3 2,-0.0 72,-0.2 -0.963 67.2-172.0-128.4 148.8 42.2 -33.5 7.4 38 55 A V E -C 108 0B 2 70,-2.5 70,-3.1 -2,-0.3 2,-0.4 -0.894 15.7-139.3-128.8 169.6 38.8 -32.0 7.5 39 56 A R E +C 107 0B 76 107,-2.8 106,-2.5 -2,-0.3 107,-1.8 -0.999 26.6 175.7-130.1 131.6 37.1 -29.3 5.5 40 57 A C E - D 0 144B 0 66,-1.0 65,-2.3 -2,-0.4 66,-0.4 -0.952 22.2-156.6-132.7 146.3 34.8 -26.8 7.2 41 58 A S E -CD 104 143B 7 102,-3.0 102,-3.2 -2,-0.3 2,-0.3 -0.776 24.0-172.5-105.7 165.4 32.7 -23.8 6.5 42 59 A H E - D 0 142B 8 61,-1.8 2,-0.4 -2,-0.3 100,-0.2 -0.989 26.7-141.6-151.3 164.2 31.8 -21.3 9.3 43 60 A L E - D 0 141B 0 98,-1.9 98,-1.8 -2,-0.3 2,-0.4 -0.999 27.8-162.0-122.2 124.2 29.7 -18.3 10.1 44 61 A L E - D 0 140B 6 -2,-0.4 51,-3.4 96,-0.2 2,-0.5 -0.908 11.9-166.2-111.1 136.5 31.6 -16.0 12.5 45 62 A V E - D 0 139B 1 94,-1.7 94,-1.9 -2,-0.4 49,-0.1 -0.956 18.9-148.7-118.4 110.0 29.9 -13.2 14.6 46 63 A K - 0 0 21 -2,-0.5 2,-0.2 92,-0.2 92,-0.2 -0.370 14.0-168.8 -74.1 156.6 32.6 -10.9 16.1 47 64 A H > - 0 0 7 90,-0.3 3,-2.6 14,-0.1 17,-0.2 -0.825 41.5 -85.5-138.0-179.7 32.1 -9.1 19.5 48 65 A S T 3 S+ 0 0 63 15,-1.7 16,-0.1 1,-0.3 13,-0.1 0.717 128.5 45.7 -72.4 -18.2 34.0 -6.3 21.3 49 66 A Q T 3 S+ 0 0 134 3,-0.1 -1,-0.3 4,-0.0 2,-0.2 0.178 85.5 119.8-101.1 12.4 36.5 -8.6 22.8 50 67 A S S < S- 0 0 3 -3,-2.6 87,-0.3 87,-0.2 86,-0.1 -0.547 80.5-108.7 -63.7 146.4 37.1 -10.4 19.5 51 68 A R S S+ 0 0 162 85,-2.6 86,-0.1 1,-0.3 -1,-0.1 0.923 111.6 25.1 -41.2 -71.3 40.7 -10.0 18.4 52 69 A R S S- 0 0 141 2,-0.1 2,-2.2 85,-0.1 -1,-0.3 -0.898 76.5-159.2-101.8 101.4 40.1 -7.5 15.6 53 70 A P + 0 0 50 0, 0.0 8,-4.4 0, 0.0 2,-0.3 -0.230 67.4 86.2 -73.9 49.5 36.8 -5.8 16.6 54 71 A S + 0 0 27 -2,-2.2 2,-0.3 6,-0.3 5,-0.2 -0.981 51.7 165.7-153.3 142.0 36.5 -4.8 12.9 55 72 A S - 0 0 13 3,-2.2 3,-0.4 -2,-0.3 41,-0.1 -0.966 52.7 -93.9-153.8 174.2 35.1 -6.5 9.7 56 73 A W S S+ 0 0 140 39,-0.4 3,-0.1 -2,-0.3 39,-0.1 0.716 124.6 50.2 -61.9 -21.0 34.0 -6.1 6.1 57 74 A R S S+ 0 0 90 1,-0.3 2,-0.3 38,-0.1 -1,-0.2 0.772 127.5 7.8 -83.2 -29.1 30.4 -5.6 7.5 58 75 A Q - 0 0 72 -3,-0.4 -3,-2.2 37,-0.1 -1,-0.3 -0.932 60.8-142.9-165.1 121.8 31.2 -3.0 10.1 59 76 A E S S+ 0 0 175 -2,-0.3 2,-0.5 -5,-0.2 -1,-0.1 0.838 97.0 32.8 -68.7 -40.5 34.4 -1.0 10.7 60 77 A K S S- 0 0 153 -6,-0.1 2,-0.6 -5,-0.0 -6,-0.3 -0.993 79.0-149.8-112.2 125.6 34.1 -1.0 14.5 61 78 A I + 0 0 2 -8,-4.4 -14,-0.1 -2,-0.5 -11,-0.1 -0.872 26.8 163.5 -88.7 123.8 32.4 -4.0 15.9 62 79 A T + 0 0 82 -2,-0.6 -1,-0.1 -16,-0.1 -14,-0.1 0.444 29.3 116.6-124.1 -10.6 30.6 -2.9 19.1 63 80 A R - 0 0 32 -17,-0.1 -15,-1.7 1,-0.1 2,-0.1 -0.313 63.7-119.7 -60.5 151.7 28.1 -5.7 19.9 64 81 A T > - 0 0 56 -17,-0.2 4,-2.2 -16,-0.1 5,-0.2 -0.345 25.5-100.5 -88.2 167.9 28.8 -7.4 23.3 65 82 A K H > S+ 0 0 97 1,-0.2 4,-1.7 2,-0.2 5,-0.2 0.927 124.3 52.4 -55.2 -40.6 29.5 -11.1 23.8 66 83 A E H > S+ 0 0 136 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.910 109.3 46.6 -60.4 -46.5 25.9 -11.6 24.8 67 84 A E H > S+ 0 0 97 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.870 108.1 56.4 -68.3 -37.8 24.4 -10.0 21.7 68 85 A A H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.903 108.7 48.4 -54.6 -41.1 26.8 -11.9 19.4 69 86 A L H X S+ 0 0 56 -4,-1.7 4,-2.6 1,-0.2 -2,-0.2 0.831 105.8 55.7 -77.8 -32.8 25.4 -15.2 21.0 70 87 A E H X S+ 0 0 131 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.927 111.7 45.7 -57.8 -42.5 21.8 -14.0 20.5 71 88 A L H X S+ 0 0 61 -4,-2.2 4,-3.2 2,-0.2 5,-0.3 0.948 112.2 49.0 -61.3 -52.3 22.7 -13.7 16.8 72 89 A I H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.912 113.1 48.8 -56.1 -43.3 24.5 -17.0 16.6 73 90 A N H X S+ 0 0 70 -4,-2.6 4,-1.7 2,-0.2 -1,-0.2 0.904 111.3 49.1 -66.4 -39.1 21.5 -18.7 18.3 74 91 A G H X S+ 0 0 21 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.919 112.5 48.1 -63.9 -44.8 19.0 -17.0 15.9 75 92 A Y H X S+ 0 0 18 -4,-3.2 4,-2.6 1,-0.2 -2,-0.2 0.906 108.2 54.5 -61.7 -42.1 21.0 -18.1 12.9 76 93 A I H X S+ 0 0 18 -4,-2.4 4,-2.9 -5,-0.3 5,-0.2 0.886 106.9 52.9 -60.2 -35.8 21.2 -21.6 14.3 77 94 A Q H X S+ 0 0 139 -4,-1.7 4,-2.8 2,-0.2 6,-0.3 0.968 110.5 45.0 -68.2 -53.6 17.3 -21.7 14.5 78 95 A K H <>S+ 0 0 55 -4,-2.1 5,-0.9 2,-0.2 6,-0.9 0.909 116.0 47.4 -50.4 -51.1 16.8 -20.7 10.9 79 96 A I H ><5S+ 0 0 27 -4,-2.6 3,-2.0 1,-0.2 -2,-0.2 0.987 116.0 42.5 -57.6 -58.7 19.4 -23.1 9.7 80 97 A K H 3<5S+ 0 0 127 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.839 115.0 51.9 -57.6 -32.1 18.1 -26.0 11.8 81 98 A S T 3<5S- 0 0 73 -4,-2.8 -1,-0.3 -5,-0.2 -2,-0.2 0.474 108.6-125.1 -82.6 -3.5 14.5 -25.1 10.8 82 99 A G T < 5S+ 0 0 61 -3,-2.0 -3,-0.2 -4,-0.5 -4,-0.1 0.410 76.3 124.4 71.5 -1.2 15.3 -25.1 7.1 83 100 A E S - 0 0 80 -2,-0.3 4,-2.2 1,-0.1 3,-0.4 -0.822 22.4-109.6-120.3 162.5 20.6 -22.3 4.8 86 103 A F H > S+ 0 0 8 -2,-0.3 4,-3.5 1,-0.3 5,-0.2 0.907 116.1 50.3 -46.8 -55.7 24.0 -22.2 6.3 87 104 A E H > S+ 0 0 54 2,-0.2 4,-2.7 1,-0.2 -1,-0.3 0.843 110.4 47.6 -48.0 -49.8 25.6 -20.9 3.1 88 105 A S H > S+ 0 0 33 -3,-0.4 4,-2.6 2,-0.2 5,-0.2 0.949 115.4 44.9 -68.0 -49.0 23.1 -18.0 2.6 89 106 A L H X S+ 0 0 0 -4,-2.2 4,-3.4 2,-0.2 5,-0.5 0.893 112.7 52.5 -54.9 -45.5 23.4 -16.9 6.3 90 107 A A H X S+ 0 0 0 -4,-3.5 4,-2.0 -5,-0.3 -2,-0.2 0.947 111.7 46.2 -57.7 -49.0 27.3 -17.2 6.1 91 108 A S H < S+ 0 0 45 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.896 121.7 36.9 -57.8 -47.7 27.4 -15.1 2.9 92 109 A Q H < S+ 0 0 88 -4,-2.6 -2,-0.2 -5,-0.2 -3,-0.2 0.955 132.7 17.0 -71.7 -44.4 25.1 -12.5 4.4 93 110 A F H < S+ 0 0 50 -4,-3.4 -3,-0.2 -5,-0.2 -2,-0.2 0.613 81.0 113.8-114.7 -13.9 26.1 -12.4 7.9 94 111 A S < - 0 0 0 -4,-2.0 -49,-0.2 -5,-0.5 5,-0.1 -0.418 51.8-147.9 -71.3 133.3 29.5 -13.9 8.8 95 112 A D S S+ 0 0 1 -51,-3.4 -39,-0.4 -2,-0.1 2,-0.3 0.486 74.0 96.6 -74.4 -4.7 32.0 -11.3 10.0 96 113 A C S > S- 0 0 25 -52,-0.3 3,-2.3 -6,-0.1 4,-0.2 -0.701 82.7-128.2 -86.6 141.7 34.8 -13.5 8.4 97 114 A S G > S+ 0 0 75 -2,-0.3 3,-1.3 1,-0.3 4,-0.1 0.716 105.2 78.4 -61.9 -17.2 36.0 -12.6 4.9 98 115 A S G > > + 0 0 13 1,-0.2 5,-3.0 2,-0.2 3,-1.5 0.499 66.7 94.8 -63.8 0.8 35.3 -16.2 4.0 99 116 A A G X 5S+ 0 0 1 -3,-2.3 3,-1.5 1,-0.3 -1,-0.2 0.912 77.7 57.4 -58.9 -38.5 31.7 -15.0 3.8 100 117 A K G < 5S+ 0 0 181 -3,-1.3 -1,-0.3 1,-0.3 -2,-0.2 0.593 102.8 52.1 -71.4 -7.7 32.3 -14.5 0.1 101 118 A A G X 5S- 0 0 51 -3,-1.5 3,-1.9 -4,-0.1 -1,-0.3 -0.083 129.3 -97.0-114.7 30.4 33.2 -18.2 -0.4 102 119 A R T < 5S- 0 0 162 -3,-1.5 -3,-0.2 1,-0.3 -12,-0.2 0.734 78.0 -57.8 61.0 27.9 30.0 -19.2 1.4 103 120 A G T 3 -C 37 0B 31 -2,-0.3 3,-1.7 -72,-0.2 4,-0.3 -0.851 46.5 -66.5-128.3 170.2 44.6 -30.6 9.5 110 127 A R T 3 S+ 0 0 97 -74,-0.6 -1,-0.1 -2,-0.3 5,-0.0 -0.291 118.5 40.4 -55.1 137.1 45.4 -30.2 13.2 111 128 A G T 3 S+ 0 0 63 2,-0.4 -1,-0.2 -3,-0.0 4,-0.1 -0.037 98.2 81.8 111.9 -26.3 48.0 -27.5 13.9 112 129 A Q S < S+ 0 0 105 -3,-1.7 2,-0.3 2,-0.1 -2,-0.1 0.878 88.0 41.0 -77.6 -40.7 46.6 -25.1 11.3 113 130 A M S S- 0 0 55 -4,-0.3 -2,-0.4 1,-0.1 5,-0.2 -0.779 96.8 -74.5-120.7 154.4 43.7 -23.4 13.2 114 131 A A >> - 0 0 44 -2,-0.3 4,-2.7 1,-0.1 3,-0.5 -0.102 51.4-122.0 -44.4 137.5 42.8 -22.1 16.6 115 132 A K H 3> S+ 0 0 127 1,-0.3 4,-3.3 2,-0.2 5,-0.3 0.862 106.9 54.0 -69.5 -44.6 42.3 -25.0 18.9 116 133 A P H 3> S+ 0 0 65 0, 0.0 4,-1.7 0, 0.0 -1,-0.3 0.932 116.7 43.0 -48.4 -42.6 38.8 -24.5 20.2 117 134 A F H <> S+ 0 0 8 -3,-0.5 4,-2.8 1,-0.2 -2,-0.2 0.879 114.0 51.0 -74.2 -40.5 37.8 -24.4 16.5 118 135 A E H X S+ 0 0 13 -4,-2.7 4,-3.1 2,-0.2 5,-0.2 0.941 108.6 49.6 -64.3 -45.9 40.0 -27.3 15.5 119 136 A D H X S+ 0 0 67 -4,-3.3 4,-1.5 2,-0.2 -1,-0.2 0.896 114.4 45.7 -60.8 -43.0 38.7 -29.6 18.2 120 137 A A H X S+ 0 0 0 -4,-1.7 4,-1.1 -5,-0.3 -1,-0.2 0.927 112.5 51.9 -64.3 -45.2 35.1 -28.8 17.2 121 138 A S H >< S+ 0 0 0 -4,-2.8 3,-0.7 1,-0.2 -2,-0.2 0.935 114.1 42.4 -56.5 -47.5 36.0 -29.2 13.6 122 139 A F H 3< S+ 0 0 9 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.694 112.6 53.6 -77.5 -17.9 37.6 -32.7 14.2 123 140 A A H 3< S+ 0 0 14 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.570 91.0 92.6 -91.6 -8.4 34.8 -33.8 16.5 124 141 A L S << S- 0 0 3 -4,-1.1 2,-0.2 -3,-0.7 3,-0.1 -0.508 75.4-125.6 -78.1 153.9 32.1 -33.1 14.0 125 142 A R > - 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