==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 11-AUG-10 3ODK . COMPND 2 MOLECULE: PEPTIDYL-PROLYL CIS-TRANS ISOMERASE NIMA-INTERACT . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.POTTER,V.OLDFIELD,C.NUNNS,C.FROMONT,S.RAY,C.J.NORTHFIELD, . 145 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8158.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 87 60.0 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 . 29 20.0 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 . 4 2.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 10.3 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 . 2 2 0 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 0 105 0, 0.0 3,-0.2 0, 0.0 4,-0.2 0.000 360.0 360.0 360.0 139.5 29.6 -42.5 22.3 2 8 A P > - 0 0 33 0, 0.0 3,-2.1 0, 0.0 121,-0.0 0.252 360.0 -36.3 -46.3 173.7 31.9 -40.8 19.8 3 9 A P T 3 S- 0 0 81 0, 0.0 19,-0.2 0, 0.0 3,-0.1 -0.095 127.3 -19.0 -38.8 112.7 34.3 -37.9 20.8 4 10 A G T 3 S+ 0 0 13 -3,-0.2 17,-1.6 1,-0.2 2,-0.8 0.463 91.4 141.0 69.6 3.5 32.5 -35.8 23.5 5 11 A W E < +A 20 0A 4 -3,-2.1 2,-0.4 15,-0.2 -1,-0.2 -0.726 26.7 174.0 -75.9 111.7 29.1 -37.0 22.7 6 12 A E E -A 19 0A 98 13,-1.9 13,-1.5 -2,-0.8 2,-0.2 -0.899 26.9-127.6-117.1 150.3 27.5 -37.2 26.1 7 13 A K E +A 18 0A 91 -2,-0.4 2,-0.3 11,-0.2 11,-0.2 -0.560 36.9 158.9 -88.7 164.2 23.8 -38.0 26.8 8 14 A A E -A 17 0A 30 9,-1.8 9,-1.2 -2,-0.2 2,-0.5 -0.924 37.4 -80.1-165.2-171.5 21.6 -35.8 29.1 9 15 A M E -A 16 0A 134 -2,-0.3 2,-0.3 7,-0.2 7,-0.2 -0.934 31.1-130.1-119.6 120.5 18.1 -34.6 30.1 10 16 A S > - 0 0 16 5,-1.2 4,-2.3 -2,-0.5 5,-0.1 -0.479 12.9-150.8 -65.1 123.5 15.9 -32.1 28.3 11 17 A R T 4 S+ 0 0 244 -2,-0.3 -1,-0.1 1,-0.2 -2,-0.0 0.216 92.3 47.6 -85.9 15.6 14.6 -29.5 30.8 12 18 A S T 4 S+ 0 0 125 3,-0.2 -1,-0.2 0, 0.0 -2,-0.0 0.683 131.5 11.5-112.6 -46.4 11.4 -28.9 28.9 13 19 A S T 4 S- 0 0 64 2,-0.2 -2,-0.2 3,-0.0 3,-0.1 0.559 84.7-130.9-111.1 -16.3 10.2 -32.5 28.2 14 20 A G < + 0 0 50 -4,-2.3 2,-0.3 1,-0.3 -3,-0.1 0.683 67.0 132.7 65.9 16.4 12.5 -34.7 30.4 15 21 A R - 0 0 126 -5,-0.1 -5,-1.2 1,-0.1 -1,-0.3 -0.786 64.4 -84.8-101.1 146.2 13.0 -36.7 27.2 16 22 A V E +A 9 0A 66 -2,-0.3 2,-0.3 -7,-0.2 -7,-0.2 -0.027 52.3 157.1 -52.7 141.0 16.5 -37.8 26.0 17 23 A Y E -A 8 0A 63 -9,-1.2 -9,-1.8 2,-0.0 2,-0.4 -0.966 29.0-131.4-155.9 166.2 18.9 -35.7 24.0 18 24 A Y E -AB 7 27A 17 9,-3.0 9,-2.2 -2,-0.3 2,-0.4 -0.928 15.6-173.8-122.6 141.4 22.6 -35.4 23.3 19 25 A F E -AB 6 26A 69 -13,-1.5 -13,-1.9 -2,-0.4 2,-0.6 -0.940 20.9-135.3-125.3 153.0 24.9 -32.4 23.4 20 26 A N E > -A 5 0A 0 5,-3.5 4,-2.4 -2,-0.4 3,-0.4 -0.951 6.6-161.3-111.5 118.1 28.5 -32.4 22.3 21 27 A H T 4 S+ 0 0 101 -17,-1.6 -1,-0.1 -2,-0.6 -16,-0.1 0.519 92.1 52.0 -75.3 -2.8 30.8 -30.5 24.8 22 28 A I T 4 S+ 0 0 54 -18,-0.2 -1,-0.2 -19,-0.2 101,-0.1 0.685 128.4 16.3 -99.8 -25.2 33.5 -30.2 22.0 23 29 A T T 4 S- 0 0 1 -3,-0.4 108,-2.6 2,-0.2 -2,-0.2 0.355 94.0-129.3-124.6 -4.5 31.3 -28.7 19.3 24 30 A N < + 0 0 74 -4,-2.4 2,-0.2 1,-0.2 -3,-0.2 0.705 54.9 152.4 59.2 21.8 28.3 -27.6 21.4 25 31 A A - 0 0 8 -5,-0.3 -5,-3.5 106,-0.2 2,-0.3 -0.532 26.8-165.3 -73.6 145.7 26.1 -29.3 19.0 26 32 A S E +B 19 0A 56 -7,-0.3 2,-0.3 -2,-0.2 -7,-0.2 -0.951 16.2 159.1-134.5 126.9 22.8 -30.5 20.5 27 33 A Q E -B 18 0A 48 -9,-2.2 -9,-3.0 -2,-0.3 -2,-0.0 -0.946 38.0-135.7-138.4 156.2 20.5 -33.1 18.8 28 34 A W S S+ 0 0 107 -2,-0.3 -1,-0.1 -11,-0.2 2,-0.1 0.913 82.3 71.9 -76.4 -50.1 17.7 -35.5 19.8 29 35 A E S S- 0 0 119 1,-0.1 -11,-0.2 -12,-0.1 -2,-0.1 -0.383 99.4 -90.6 -71.0 148.2 18.6 -38.7 17.9 30 36 A R - 0 0 152 1,-0.1 -1,-0.1 -2,-0.1 -2,-0.1 -0.367 52.9 -98.7 -59.9 133.1 21.6 -40.7 19.0 31 37 A P 0 0 6 0, 0.0 -1,-0.1 0, 0.0 -26,-0.0 -0.036 360.0 360.0 -42.4 153.5 24.9 -39.6 17.3 32 38 A S 0 0 126 -3,-0.1 -2,-0.1 -31,-0.0 -3,-0.0 0.490 360.0 360.0 3.2 360.0 26.3 -41.6 14.2 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 0 171 0, 0.0 89,-0.1 0, 0.0 88,-0.0 0.000 360.0 360.0 360.0 129.1 40.1 -40.0 12.8 35 52 A P - 0 0 52 0, 0.0 3,-0.1 0, 0.0 0, 0.0 -0.102 360.0-144.7 -47.1 147.9 40.7 -37.9 9.5 36 53 A A S S+ 0 0 78 1,-0.3 74,-0.6 73,-0.1 2,-0.3 0.814 87.8 22.9 -88.2 -37.4 44.1 -36.3 9.1 37 54 A R E -C 109 0B 123 72,-0.2 2,-0.3 2,-0.0 72,-0.3 -0.901 68.2-169.5-124.1 153.5 42.5 -33.3 7.4 38 55 A V E -C 108 0B 2 70,-3.3 70,-1.4 -2,-0.3 2,-0.5 -0.970 16.3-136.6-137.1 154.1 38.9 -31.9 7.4 39 56 A R E +C 107 0B 82 107,-3.7 106,-3.6 -2,-0.3 107,-1.5 -0.972 29.7 177.5-115.3 129.1 37.2 -29.3 5.3 40 57 A C E - D 0 144B 0 66,-0.9 65,-3.0 -2,-0.5 66,-0.3 -0.905 24.4-161.2-135.1 150.6 35.0 -26.7 6.9 41 58 A S E -CD 104 143B 13 102,-2.4 102,-2.6 -2,-0.3 2,-0.3 -0.865 23.5-173.3-118.5 157.2 32.9 -23.6 6.3 42 59 A H E - D 0 142B 9 61,-2.1 2,-0.5 -2,-0.3 100,-0.2 -0.983 27.1-141.9-150.9 162.1 31.9 -21.2 9.1 43 60 A L E - D 0 141B 0 98,-2.7 98,-1.6 -2,-0.3 2,-0.4 -0.996 27.0-163.0-126.9 120.7 29.8 -18.2 9.9 44 61 A L E - D 0 140B 9 -2,-0.5 51,-3.4 96,-0.2 2,-0.5 -0.867 12.2-168.9-109.6 135.1 31.6 -15.9 12.3 45 62 A V E - D 0 139B 2 94,-2.6 94,-1.4 -2,-0.4 27,-0.1 -0.906 19.2-154.8-124.3 101.8 29.9 -13.1 14.4 46 63 A K - 0 0 25 -2,-0.5 2,-0.3 92,-0.2 92,-0.2 -0.192 9.6-165.2 -73.3 166.6 32.6 -10.9 16.0 47 64 A H > - 0 0 7 90,-0.5 3,-2.5 14,-0.1 17,-0.2 -0.868 40.1 -85.8-145.3 177.4 32.2 -8.8 19.2 48 65 A S T 3 S+ 0 0 59 15,-2.0 16,-0.1 1,-0.3 13,-0.1 0.862 128.5 48.8 -56.3 -43.4 33.8 -5.9 21.1 49 66 A Q T 3 S+ 0 0 138 3,-0.1 -1,-0.3 -3,-0.0 89,-0.1 0.409 89.4 121.4 -76.4 2.2 36.2 -8.3 22.9 50 67 A S S < S- 0 0 6 -3,-2.5 87,-0.2 1,-0.1 88,-0.1 -0.263 76.5-110.9 -66.5 157.2 37.0 -9.9 19.4 51 68 A R S S+ 0 0 142 85,-1.4 86,-0.1 1,-0.3 -1,-0.1 0.946 110.5 13.0 -53.3 -64.9 40.6 -9.9 18.3 52 69 A R S S- 0 0 172 85,-0.2 2,-3.6 2,-0.1 -1,-0.3 -0.891 77.4-155.2-115.8 92.7 40.2 -7.5 15.5 53 70 A P + 0 0 45 0, 0.0 8,-2.9 0, 0.0 2,-0.3 -0.194 65.0 97.6 -64.1 54.3 36.7 -6.0 16.1 54 71 A S + 0 0 58 -2,-3.6 2,-0.3 6,-0.2 5,-0.2 -0.985 44.1 161.6-148.0 146.5 36.6 -5.2 12.3 55 72 A S B > -G 58 0C 17 3,-1.7 3,-2.1 -2,-0.3 41,-0.1 -0.969 55.8 -94.1-166.1 151.7 35.1 -6.8 9.2 56 73 A W T 3 S+ 0 0 106 -2,-0.3 3,-0.1 39,-0.3 39,-0.1 0.621 124.2 51.9 -38.5 -16.4 34.1 -6.3 5.6 57 74 A R T 3 S+ 0 0 96 1,-0.3 2,-0.3 38,-0.1 -1,-0.3 0.732 121.7 10.0 -97.2 -27.7 30.6 -5.6 7.2 58 75 A Q B < -G 55 0C 74 -3,-2.1 -3,-1.7 37,-0.1 -1,-0.3 -0.945 62.1-139.0-163.7 129.5 31.3 -3.0 9.8 59 76 A E S S+ 0 0 182 1,-0.3 2,-0.4 -2,-0.3 -1,-0.1 0.767 96.1 19.5 -74.4 -32.4 34.4 -1.0 10.6 60 77 A K S S- 0 0 146 -6,-0.1 2,-0.3 -5,-0.0 -1,-0.3 -0.942 80.6-141.4-138.1 117.8 34.3 -1.2 14.3 61 78 A I + 0 0 1 -8,-2.9 -14,-0.1 -2,-0.4 -11,-0.1 -0.633 25.0 171.2 -78.1 135.4 32.2 -3.9 15.8 62 79 A T + 0 0 86 -2,-0.3 -14,-0.2 -16,-0.1 -1,-0.1 0.636 34.0 116.3-121.8 -27.0 30.4 -2.7 18.8 63 80 A R - 0 0 29 -16,-0.1 -15,-2.0 -17,-0.1 -2,-0.0 -0.116 64.6-119.7 -47.2 141.2 28.0 -5.5 19.7 64 81 A T > - 0 0 62 -17,-0.2 4,-1.3 -16,-0.1 -1,-0.1 0.003 22.2-106.5 -72.4-177.9 28.6 -7.1 23.0 65 82 A K H > S+ 0 0 86 2,-0.2 4,-2.4 3,-0.1 5,-0.2 0.907 120.0 55.4 -77.4 -43.7 29.5 -10.8 23.5 66 83 A E H > S+ 0 0 147 1,-0.2 4,-1.8 2,-0.2 -1,-0.1 0.903 112.8 45.7 -55.9 -39.1 26.0 -11.7 25.0 67 84 A E H > S+ 0 0 86 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.803 105.5 57.4 -73.1 -40.1 24.6 -10.2 21.7 68 85 A A H X S+ 0 0 0 -4,-1.3 4,-2.3 2,-0.2 -2,-0.2 0.949 108.7 48.8 -51.0 -53.3 27.0 -11.9 19.4 69 86 A L H X S+ 0 0 50 -4,-2.4 4,-3.6 2,-0.2 5,-0.3 0.933 107.3 55.0 -53.6 -50.5 25.7 -15.2 20.9 70 87 A E H X S+ 0 0 116 -4,-1.8 4,-2.1 1,-0.3 -1,-0.2 0.934 110.5 45.6 -50.1 -51.1 22.1 -14.1 20.4 71 88 A L H X S+ 0 0 70 -4,-2.5 4,-1.5 1,-0.2 -1,-0.3 0.891 113.3 50.1 -60.0 -40.5 22.7 -13.5 16.7 72 89 A I H X S+ 0 0 0 -4,-2.3 4,-1.7 1,-0.2 3,-0.3 0.915 109.7 49.6 -66.9 -43.8 24.6 -16.8 16.5 73 90 A N H X S+ 0 0 70 -4,-3.6 4,-2.3 1,-0.2 -1,-0.2 0.895 106.5 60.6 -57.3 -36.7 21.7 -18.7 18.2 74 91 A G H X S+ 0 0 27 -4,-2.1 4,-1.9 -5,-0.3 -1,-0.2 0.850 105.4 43.9 -62.9 -41.6 19.4 -16.9 15.7 75 92 A Y H X S+ 0 0 18 -4,-1.5 4,-2.8 -3,-0.3 -1,-0.2 0.786 108.1 59.0 -75.3 -32.2 21.0 -18.4 12.6 76 93 A I H X S+ 0 0 20 -4,-1.7 4,-3.4 2,-0.2 5,-0.3 0.935 106.5 48.6 -62.0 -44.9 21.2 -21.8 14.2 77 94 A Q H X S+ 0 0 142 -4,-2.3 4,-2.4 1,-0.2 6,-0.3 0.968 113.3 46.1 -61.8 -48.8 17.5 -21.8 14.6 78 95 A K H <>S+ 0 0 70 -4,-1.9 6,-1.9 2,-0.2 5,-0.5 0.875 117.0 45.6 -59.5 -37.3 17.0 -20.7 10.9 79 96 A I H ><5S+ 0 0 28 -4,-2.8 3,-2.0 4,-0.2 -2,-0.2 0.976 113.8 47.3 -68.4 -53.8 19.5 -23.3 9.8 80 97 A K H 3<5S+ 0 0 127 -4,-3.4 -2,-0.2 1,-0.3 -1,-0.2 0.816 113.6 48.9 -57.5 -31.2 18.0 -26.1 11.9 81 98 A S T 3<5S- 0 0 76 -4,-2.4 -1,-0.3 -5,-0.3 -2,-0.2 0.374 109.1-120.3 -91.7 5.3 14.5 -25.2 10.8 82 99 A G T < 5S+ 0 0 64 -3,-2.0 -3,-0.2 2,-0.3 -4,-0.1 0.413 81.7 120.7 67.9 -4.7 15.3 -25.1 7.1 83 100 A E S - 0 0 92 -2,-0.3 4,-1.9 1,-0.1 5,-0.4 -0.814 28.2-110.0-108.6 156.4 20.8 -22.5 4.8 86 103 A F H > S+ 0 0 5 -2,-0.3 4,-3.3 1,-0.2 5,-0.3 0.893 115.1 53.5 -39.7 -54.6 24.3 -22.1 6.2 87 104 A E H > S+ 0 0 75 2,-0.2 4,-3.3 1,-0.2 -1,-0.2 0.899 108.5 47.7 -57.6 -50.1 25.6 -20.7 2.9 88 105 A S H > S+ 0 0 40 -3,-0.2 4,-0.8 1,-0.2 5,-0.3 0.979 117.1 40.5 -56.3 -60.4 23.0 -17.9 2.6 89 106 A L H >X>S+ 0 0 5 -4,-1.9 4,-3.5 1,-0.2 3,-0.7 0.906 117.9 51.0 -53.1 -41.0 23.3 -16.7 6.2 90 107 A A H 3X5S+ 0 0 0 -4,-3.3 4,-0.9 -5,-0.4 -2,-0.2 0.915 107.0 52.2 -64.8 -42.4 27.2 -17.1 5.9 91 108 A S H 3<5S+ 0 0 42 -4,-3.3 -1,-0.2 -5,-0.3 -2,-0.2 0.586 122.5 31.6 -70.6 -10.6 27.4 -15.2 2.7 92 109 A Q H <<5S+ 0 0 97 -4,-0.8 -2,-0.2 -3,-0.7 -1,-0.2 0.755 130.5 24.2-110.1 -45.9 25.6 -12.3 4.2 93 110 A F H <5S+ 0 0 52 -4,-3.5 -3,-0.2 -5,-0.3 -2,-0.1 0.787 80.9 115.8-101.3 -29.7 26.3 -12.2 7.9 94 111 A S << - 0 0 0 -4,-0.9 -49,-0.2 -5,-0.7 5,-0.2 -0.128 52.2-151.6 -48.4 123.9 29.7 -13.8 8.4 95 112 A D S S+ 0 0 3 -51,-3.4 2,-0.3 -39,-0.1 -39,-0.3 0.442 74.0 90.6 -78.0 2.0 32.2 -11.3 9.8 96 113 A C S > S- 0 0 29 -52,-0.3 3,-1.3 -6,-0.1 4,-0.1 -0.725 85.1-127.4 -91.0 152.3 35.0 -13.3 8.1 97 114 A S G > S+ 0 0 90 -2,-0.3 3,-1.9 1,-0.3 4,-0.2 0.742 102.0 81.1 -71.0 -22.9 36.0 -12.6 4.6 98 115 A S G > > + 0 0 15 1,-0.3 5,-2.4 2,-0.2 3,-0.9 0.493 69.5 86.5 -53.7 -8.2 35.4 -16.3 3.7 99 116 A A G X 5S+ 0 0 0 -3,-1.3 3,-2.0 1,-0.2 -1,-0.3 0.885 75.9 64.8 -58.3 -39.9 31.8 -15.2 3.5 100 117 A K G < 5S+ 0 0 155 -3,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.735 103.9 49.0 -54.3 -19.8 32.5 -14.3 -0.1 101 118 A A G X 5S- 0 0 40 -3,-0.9 3,-2.8 -4,-0.2 -1,-0.3 -0.144 130.1 -97.2-114.5 37.5 33.1 -18.0 -0.5 102 119 A R T < 5S- 0 0 138 -3,-2.0 -3,-0.2 1,-0.3 -2,-0.2 0.828 80.7 -60.3 50.3 30.1 29.9 -19.1 1.3 103 120 A G T 3 -C 37 0B 26 1,-0.3 3,-0.9 -72,-0.3 4,-0.4 -0.569 43.5 -54.1-127.6-169.0 44.5 -30.4 9.5 110 127 A R T 3 S+ 0 0 88 -74,-0.6 2,-1.0 1,-0.2 -1,-0.3 0.077 114.4 32.0 -71.7 177.8 45.6 -30.0 13.1 111 128 A G T 3 S+ 0 0 73 1,-0.1 -1,-0.2 2,-0.1 4,-0.1 0.114 102.1 91.4 64.1 -26.9 48.0 -27.3 14.5 112 129 A Q S < S+ 0 0 115 -2,-1.0 2,-0.2 -3,-0.9 -2,-0.2 0.893 83.5 31.8 -69.9 -49.3 46.6 -25.1 11.7 113 130 A M S S- 0 0 62 -4,-0.4 -2,-0.1 1,-0.1 5,-0.0 -0.582 102.5 -71.3-102.8 170.4 43.6 -23.2 13.3 114 131 A Q >> - 0 0 63 -2,-0.2 4,-2.2 1,-0.1 3,-0.8 -0.342 54.6-110.3 -59.9 144.9 43.0 -22.0 16.8 115 132 A K H 3> S+ 0 0 120 1,-0.3 4,-3.5 2,-0.2 5,-0.2 0.788 111.2 48.9 -56.6 -45.4 42.3 -24.9 19.2 116 133 A P H 3> S+ 0 0 60 0, 0.0 4,-2.0 0, 0.0 -1,-0.3 0.887 115.0 48.0 -66.6 -28.1 38.6 -24.6 20.0 117 134 A F H <> S+ 0 0 6 -3,-0.8 4,-3.1 2,-0.2 -2,-0.2 0.903 114.9 46.6 -73.5 -40.2 37.8 -24.3 16.3 118 135 A E H X S+ 0 0 3 -4,-2.2 4,-1.6 2,-0.2 5,-0.3 0.973 109.7 51.7 -60.6 -55.5 40.0 -27.3 15.6 119 136 A D H >X S+ 0 0 56 -4,-3.5 4,-0.7 1,-0.3 3,-0.6 0.915 116.0 41.5 -57.0 -47.2 38.6 -29.4 18.3 120 137 A A H >X S+ 0 0 0 -4,-2.0 3,-1.5 -5,-0.2 4,-1.4 0.948 111.8 56.4 -56.5 -52.8 35.0 -28.7 17.1 121 138 A S H 3< S+ 0 0 0 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.695 112.7 41.2 -56.2 -20.3 36.1 -29.1 13.4 122 139 A F H << S+ 0 0 10 -4,-1.6 -1,-0.3 -3,-0.6 -2,-0.2 0.571 110.4 55.9-104.3 -8.7 37.4 -32.6 14.0 123 140 A A H << S+ 0 0 5 -3,-1.5 2,-0.2 -4,-0.7 -2,-0.2 0.540 92.4 82.0-106.3 -16.9 34.7 -33.8 16.2 124 141 A L S < S- 0 0 0 -4,-1.4 2,-0.4 -5,-0.1 6,-0.1 -0.529 76.3-135.3 -75.3 154.1 32.0 -33.0 13.8 125 142 A R > - 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