==== 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 3KAH . 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) . 8267.0 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 . 27 18.6 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 . 6 4.1 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 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 97 0, 0.0 3,-0.1 0, 0.0 31,-0.1 0.000 360.0 360.0 360.0 154.6 16.3 -5.2 -5.7 2 8 A P > - 0 0 25 0, 0.0 3,-2.4 0, 0.0 121,-0.0 -0.287 360.0 -58.5 -78.4 164.8 16.9 -8.2 -7.9 3 9 A P T 3 S+ 0 0 101 0, 0.0 19,-0.1 0, 0.0 3,-0.1 -0.073 122.9 9.7 -50.1 128.3 17.8 -11.7 -6.5 4 10 A G T 3 S+ 0 0 13 1,-0.3 17,-2.0 -3,-0.1 2,-0.2 0.168 96.4 123.9 93.8 -16.7 21.1 -11.7 -4.5 5 11 A W E < +A 20 0A 10 -3,-2.4 2,-0.3 15,-0.2 -1,-0.3 -0.570 32.0 175.9 -86.1 146.0 21.5 -7.9 -4.3 6 12 A E E -A 19 0A 95 13,-1.9 13,-2.1 -2,-0.2 2,-0.3 -0.963 25.5-127.8-140.4 152.3 21.9 -6.0 -1.0 7 13 A K E +A 18 0A 133 -2,-0.3 2,-0.3 11,-0.2 11,-0.2 -0.754 34.8 168.6 -99.6 147.0 22.5 -2.4 -0.2 8 14 A A E -A 17 0A 26 9,-2.3 9,-1.8 -2,-0.3 2,-0.4 -0.906 31.1-110.1-150.2 179.7 25.3 -1.5 2.2 9 15 A M E -A 16 0A 108 -2,-0.3 2,-0.7 7,-0.2 7,-0.2 -0.948 17.8-141.5-122.2 127.3 27.4 1.4 3.5 10 16 A S > - 0 0 17 5,-2.3 4,-2.2 -2,-0.4 5,-0.3 -0.827 8.6-159.0 -90.8 122.9 31.0 2.1 2.8 11 17 A R T 4 S+ 0 0 245 -2,-0.7 -1,-0.2 1,-0.2 5,-0.0 0.939 87.9 50.5 -62.9 -47.0 32.7 3.4 5.9 12 18 A S T 4 S+ 0 0 122 1,-0.2 -1,-0.2 2,-0.1 -2,-0.0 0.850 123.5 28.5 -61.1 -41.0 35.7 5.0 4.1 13 19 A S T 4 S- 0 0 57 2,-0.2 -1,-0.2 0, 0.0 -2,-0.2 0.738 92.5-134.1 -87.9 -33.7 33.6 6.9 1.5 14 20 A G < + 0 0 53 -4,-2.2 2,-0.3 1,-0.3 -3,-0.1 0.576 68.7 116.0 80.2 10.1 30.3 7.5 3.4 15 21 A R - 0 0 125 -5,-0.3 -5,-2.3 1,-0.0 -1,-0.3 -0.855 67.4-115.9-113.1 147.3 28.4 6.4 0.3 16 22 A V E +A 9 0A 60 -2,-0.3 2,-0.3 -7,-0.2 -7,-0.2 -0.366 34.1 179.8 -70.6 156.7 26.1 3.4 -0.1 17 23 A Y E -A 8 0A 71 -9,-1.8 -9,-2.3 -2,-0.1 2,-0.3 -0.892 20.0-122.1-143.3 177.9 27.1 0.6 -2.6 18 24 A Y E -AB 7 27A 23 9,-3.0 9,-2.0 -2,-0.3 2,-0.3 -0.925 21.9-178.0-127.6 148.5 25.5 -2.7 -3.7 19 25 A F E -AB 6 26A 69 -13,-2.1 -13,-1.9 -2,-0.3 2,-0.6 -0.997 19.8-142.3-144.9 149.3 26.8 -6.2 -3.7 20 26 A N E > -A 5 0A 1 5,-2.1 4,-1.5 -2,-0.3 -15,-0.2 -0.949 5.3-161.1-112.4 124.3 25.4 -9.5 -4.8 21 27 A H T 4 S+ 0 0 104 -17,-2.0 -1,-0.1 -2,-0.6 -16,-0.1 0.540 91.3 52.1 -84.2 -6.8 26.2 -12.4 -2.5 22 28 A I T 4 S+ 0 0 59 -18,-0.2 98,-0.2 -19,-0.1 -1,-0.2 0.848 125.4 22.7 -86.1 -41.3 25.5 -15.0 -5.3 23 29 A T T 4 S- 0 0 1 97,-0.1 108,-2.9 96,-0.1 -2,-0.2 0.504 97.4-128.6 -97.8 -15.8 27.7 -13.4 -8.0 24 30 A N < + 0 0 78 -4,-1.5 -3,-0.2 1,-0.2 106,-0.0 0.627 54.5 155.7 63.1 19.5 30.1 -11.5 -5.7 25 31 A A - 0 0 10 -5,-0.2 -5,-2.1 106,-0.2 2,-0.3 -0.319 18.4-179.6 -64.3 151.5 29.4 -8.4 -7.8 26 32 A S E +B 19 0A 56 -7,-0.2 2,-0.3 -3,-0.1 -7,-0.2 -0.934 9.9 149.7-154.6 145.3 29.9 -5.0 -6.1 27 33 A Q E -B 18 0A 60 -9,-2.0 -9,-3.0 -2,-0.3 -2,-0.0 -0.965 49.6-118.5-166.1 154.7 29.4 -1.5 -7.5 28 34 A W S S+ 0 0 101 -2,-0.3 2,-0.2 -11,-0.2 -1,-0.1 0.840 91.1 77.5 -68.3 -34.2 28.5 2.0 -6.4 29 35 A E S S- 0 0 126 1,-0.1 -11,-0.2 -11,-0.1 -2,-0.1 -0.501 88.2-107.7 -90.8 150.5 25.4 2.2 -8.6 30 36 A R - 0 0 153 -2,-0.2 -1,-0.1 1,-0.1 -2,-0.1 -0.550 41.7-124.5 -69.0 126.2 22.0 0.5 -8.1 31 37 A P 0 0 5 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 -0.319 360.0 360.0 -66.9 152.0 21.5 -2.4 -10.5 32 38 A S 0 0 142 -31,-0.1 93,-0.1 93,-0.0 0, 0.0 -0.989 360.0 360.0 161.2 360.0 18.7 -3.0 -12.9 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 0 159 0, 0.0 4,-0.1 0, 0.0 89,-0.0 0.000 360.0 360.0 360.0 113.8 14.6 -16.8 -15.0 35 52 A P - 0 0 59 0, 0.0 3,-0.1 0, 0.0 87,-0.0 -0.158 360.0-110.3 -65.1 162.0 14.9 -18.2 -18.6 36 53 A A S S+ 0 0 87 1,-0.1 74,-0.5 73,-0.1 2,-0.3 0.990 100.5 16.8 -51.4 -61.8 15.3 -21.8 -19.6 37 54 A R E -C 109 0B 122 72,-0.2 2,-0.3 70,-0.0 72,-0.2 -0.790 64.4-162.5-117.9 150.9 18.9 -21.2 -20.8 38 55 A V E -C 108 0B 2 70,-2.4 70,-2.4 -2,-0.3 2,-0.5 -0.951 14.7-136.6-123.3 157.6 21.7 -18.5 -20.3 39 56 A R E +C 107 0B 80 107,-3.2 106,-3.8 -2,-0.3 107,-1.7 -0.960 29.0 170.7-115.9 128.1 24.8 -17.7 -22.3 40 57 A C E - D 0 144B 0 66,-1.0 65,-2.5 -2,-0.5 66,-0.4 -0.943 25.1-158.2-133.1 147.3 28.1 -16.9 -20.5 41 58 A S E -CD 104 143B 7 102,-2.6 102,-2.8 -2,-0.3 2,-0.3 -0.841 26.3-174.7-103.8 157.8 31.8 -16.4 -21.2 42 59 A H E - D 0 142B 8 61,-2.0 2,-0.4 -2,-0.3 100,-0.2 -0.955 27.5-141.8-143.7 171.0 34.2 -16.9 -18.3 43 60 A L E - D 0 141B 0 98,-2.4 98,-2.2 -2,-0.3 2,-0.4 -0.978 24.0-165.8-130.8 122.0 37.8 -16.6 -17.2 44 61 A L E - D 0 140B 6 -2,-0.4 51,-3.3 96,-0.2 2,-0.5 -0.897 10.0-167.8-109.2 130.7 39.1 -19.4 -14.9 45 62 A V E - D 0 139B 2 94,-2.4 94,-2.1 -2,-0.4 2,-0.1 -0.978 19.0-153.4-114.4 111.4 42.3 -19.2 -13.0 46 63 A K - 0 0 14 -2,-0.5 2,-0.2 92,-0.2 92,-0.2 -0.382 11.0-169.1 -77.5 165.6 43.1 -22.6 -11.5 47 64 A H > - 0 0 7 90,-0.3 3,-1.4 14,-0.1 17,-0.2 -0.768 43.3 -79.5-143.9-179.6 45.1 -23.3 -8.4 48 65 A S T 3 S+ 0 0 63 15,-2.2 16,-0.1 1,-0.3 -2,-0.0 0.646 127.4 49.9 -71.1 -15.9 46.7 -26.4 -6.7 49 66 A Q T 3 S+ 0 0 151 3,-0.1 -1,-0.3 88,-0.0 89,-0.1 0.411 83.3 124.6-100.9 1.3 43.5 -27.6 -5.1 50 67 A S S < S- 0 0 7 -3,-1.4 87,-0.2 1,-0.1 86,-0.1 -0.270 75.3-117.5 -49.7 143.0 41.7 -27.3 -8.5 51 68 A R S S+ 0 0 157 85,-2.6 86,-0.1 1,-0.3 -1,-0.1 0.907 111.6 25.0 -51.1 -48.5 40.1 -30.6 -9.5 52 69 A R S S- 0 0 143 85,-0.2 2,-3.1 84,-0.2 -1,-0.3 -0.785 79.2-164.2-119.3 87.6 42.3 -30.8 -12.6 53 70 A P + 0 0 48 0, 0.0 8,-2.5 0, 0.0 2,-0.3 -0.269 62.4 78.1 -78.3 69.2 45.4 -28.7 -11.7 54 71 A S + 0 0 14 -2,-3.1 2,-0.3 6,-0.3 5,-0.2 -0.956 51.3 169.6-165.0 145.5 46.5 -28.5 -15.3 55 72 A S - 0 0 12 3,-2.5 3,-0.4 -2,-0.3 41,-0.1 -0.926 54.3 -85.0-149.4-178.9 45.6 -26.5 -18.4 56 73 A W S S+ 0 0 146 -2,-0.3 3,-0.1 1,-0.2 39,-0.1 0.715 126.7 53.6 -59.1 -18.0 46.6 -25.6 -21.9 57 74 A R S S+ 0 0 93 1,-0.3 2,-0.3 38,-0.1 -1,-0.2 0.827 122.5 10.3 -87.3 -32.9 48.8 -22.9 -20.2 58 75 A Q - 0 0 70 -3,-0.4 -3,-2.5 1,-0.1 -1,-0.3 -0.967 60.0-142.5-151.9 126.8 50.8 -25.0 -17.7 59 76 A E S S+ 0 0 168 -2,-0.3 2,-0.4 1,-0.2 -1,-0.1 0.858 98.5 30.4 -63.3 -34.8 51.0 -28.8 -17.5 60 77 A K S S- 0 0 148 -6,-0.1 2,-0.5 -3,-0.1 -6,-0.3 -0.976 76.9-148.3-129.4 122.4 51.0 -28.5 -13.7 61 78 A I + 0 0 4 -8,-2.5 -14,-0.1 -2,-0.4 -11,-0.1 -0.771 24.1 166.4 -89.6 122.9 49.3 -25.6 -11.9 62 79 A T + 0 0 94 -2,-0.5 -1,-0.1 -16,-0.1 -14,-0.1 0.423 32.8 115.7-121.4 -6.0 51.2 -24.8 -8.7 63 80 A R - 0 0 32 -17,-0.1 -15,-2.2 1,-0.1 2,-0.1 -0.388 66.1-116.8 -66.2 142.9 49.8 -21.4 -7.6 64 81 A T > - 0 0 58 -17,-0.2 4,-2.3 -16,-0.1 5,-0.2 -0.409 25.3-108.5 -73.4 155.4 47.9 -21.3 -4.3 65 82 A K H > S+ 0 0 85 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.879 122.4 55.1 -47.9 -41.6 44.2 -20.5 -4.1 66 83 A E H > S+ 0 0 162 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.940 107.3 48.4 -61.4 -46.6 45.2 -17.2 -2.5 67 84 A E H > S+ 0 0 95 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.869 110.1 51.3 -60.9 -40.4 47.5 -16.4 -5.4 68 85 A A H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.845 106.9 55.2 -69.2 -32.4 44.7 -17.2 -8.0 69 86 A L H X S+ 0 0 53 -4,-2.2 4,-2.9 -5,-0.2 -2,-0.2 0.923 106.9 49.7 -62.9 -39.8 42.4 -14.9 -6.1 70 87 A E H X S+ 0 0 153 -4,-2.0 4,-2.7 1,-0.2 -2,-0.2 0.943 110.7 50.3 -66.5 -43.0 45.0 -12.1 -6.5 71 88 A L H X S+ 0 0 66 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.930 112.1 46.6 -57.2 -48.1 45.2 -12.9 -10.2 72 89 A I H X S+ 0 0 0 -4,-2.4 4,-2.9 2,-0.2 -2,-0.2 0.912 110.3 52.8 -60.9 -47.4 41.4 -12.8 -10.6 73 90 A N H X S+ 0 0 70 -4,-2.9 4,-2.7 1,-0.2 -1,-0.2 0.920 110.1 49.8 -54.2 -44.5 41.1 -9.5 -8.6 74 91 A G H X S+ 0 0 19 -4,-2.7 4,-2.0 2,-0.2 -2,-0.2 0.900 109.6 49.9 -61.3 -45.5 43.7 -8.0 -11.0 75 92 A Y H X S+ 0 0 28 -4,-2.5 4,-2.1 2,-0.2 5,-0.2 0.977 110.6 50.1 -58.0 -52.3 41.8 -9.2 -14.0 76 93 A I H X S+ 0 0 19 -4,-2.9 4,-2.9 1,-0.2 5,-0.2 0.922 108.2 53.2 -46.2 -53.0 38.5 -7.6 -12.6 77 94 A Q H X S+ 0 0 141 -4,-2.7 4,-1.9 1,-0.2 6,-0.2 0.893 110.2 48.5 -52.8 -42.6 40.4 -4.3 -11.9 78 95 A K H <>S+ 0 0 75 -4,-2.0 6,-1.8 -3,-0.2 5,-0.7 0.839 112.5 46.5 -70.5 -35.2 41.5 -4.2 -15.6 79 96 A I H ><5S+ 0 0 32 -4,-2.1 3,-0.9 4,-0.2 -2,-0.2 0.917 112.5 50.4 -70.2 -41.2 38.1 -4.9 -17.0 80 97 A K H 3<5S+ 0 0 125 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.868 111.6 46.8 -71.2 -34.2 36.4 -2.4 -14.8 81 98 A S T 3<5S- 0 0 70 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.552 111.4-118.1 -74.6 -12.0 38.8 0.4 -15.7 82 99 A G T < 5S+ 0 0 61 -3,-0.9 -3,-0.2 -4,-0.4 -4,-0.1 0.448 79.9 123.9 78.7 -0.5 38.6 -0.3 -19.4 83 100 A E S - 0 0 89 -2,-0.3 4,-1.9 1,-0.1 3,-0.5 -0.794 25.8-112.8-101.2 156.2 38.3 -6.1 -22.1 86 103 A F H > S+ 0 0 6 -2,-0.3 4,-2.1 1,-0.2 5,-0.2 0.860 111.1 49.6 -44.1 -55.5 37.0 -9.5 -20.8 87 104 A E H > S+ 0 0 79 1,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.858 110.8 51.5 -61.7 -37.9 37.1 -11.6 -24.0 88 105 A S H > S+ 0 0 37 -3,-0.5 4,-1.4 1,-0.2 -1,-0.3 0.924 111.0 44.6 -69.9 -45.8 40.7 -10.5 -24.6 89 106 A L H X S+ 0 0 3 -4,-1.9 4,-2.3 2,-0.2 5,-0.2 0.802 112.8 53.9 -66.6 -28.7 42.0 -11.4 -21.1 90 107 A A H X S+ 0 0 0 -4,-2.1 4,-2.1 -5,-0.2 13,-0.2 0.914 106.2 52.0 -72.4 -43.8 40.1 -14.7 -21.3 91 108 A S H < S+ 0 0 45 -4,-2.5 -1,-0.2 11,-0.2 -2,-0.2 0.809 120.5 33.4 -55.0 -38.1 41.7 -15.6 -24.6 92 109 A Q H < S+ 0 0 94 -4,-1.4 -2,-0.2 -5,-0.1 -1,-0.2 0.797 133.0 21.3 -93.0 -29.4 45.2 -15.0 -23.3 93 110 A F H < S+ 0 0 55 -4,-2.3 -3,-0.2 -5,-0.2 -2,-0.2 0.547 79.3 118.2-124.2 -8.4 44.9 -16.0 -19.7 94 111 A S < - 0 0 0 -4,-2.1 -49,-0.2 -5,-0.2 5,-0.1 -0.477 50.2-149.4 -69.1 136.2 42.0 -18.4 -18.9 95 112 A D S S+ 0 0 2 -51,-3.3 2,-0.4 -2,-0.2 -39,-0.2 0.240 73.4 97.0 -80.4 7.1 43.1 -21.8 -17.6 96 113 A C S > S- 0 0 25 -52,-0.3 3,-2.4 -6,-0.2 4,-0.2 -0.791 84.4-125.9 -97.2 144.7 39.9 -23.2 -19.3 97 114 A S G > S+ 0 0 79 -2,-0.4 3,-1.0 1,-0.3 4,-0.1 0.714 106.7 76.8 -60.1 -15.0 40.1 -24.8 -22.7 98 115 A S G > > + 0 0 16 1,-0.2 3,-2.1 2,-0.2 5,-1.9 0.565 66.4 91.0 -71.9 -7.8 37.3 -22.3 -23.6 99 116 A A G X 5S+ 0 0 2 -3,-2.4 3,-2.3 1,-0.3 -1,-0.2 0.886 78.5 62.9 -47.3 -41.0 40.0 -19.6 -23.8 100 117 A K G < 5S+ 0 0 183 -3,-1.0 -1,-0.3 1,-0.3 -2,-0.2 0.676 101.9 49.7 -66.7 -15.4 40.3 -20.5 -27.5 101 118 A A G X 5S- 0 0 32 -3,-2.1 3,-2.3 -4,-0.1 -1,-0.3 -0.004 127.7 -99.8-103.3 25.5 36.6 -19.3 -27.8 102 119 A R T < 5S- 0 0 135 -3,-2.3 -3,-0.2 1,-0.3 -11,-0.2 0.856 79.3 -58.6 63.7 29.9 37.4 -16.0 -26.0 103 120 A G T 3 -C 37 0B 33 -2,-0.3 3,-1.4 -72,-0.2 4,-0.5 -0.605 46.7 -70.2-112.0 174.1 20.5 -24.7 -18.5 110 127 A R T 3 S+ 0 0 91 -74,-0.5 -1,-0.1 1,-0.2 5,-0.0 -0.456 116.6 43.4 -62.3 140.1 20.4 -25.6 -14.8 111 128 A G T 3 S+ 0 0 70 2,-0.3 -1,-0.2 -2,-0.1 4,-0.1 -0.065 96.7 77.6 115.7 -26.9 21.9 -29.0 -14.2 112 129 A Q S < S+ 0 0 99 -3,-1.4 2,-0.2 2,-0.1 -2,-0.1 0.972 85.9 46.8 -86.5 -52.8 24.9 -28.7 -16.5 113 130 A M S S- 0 0 59 -4,-0.5 -2,-0.3 1,-0.2 5,-0.1 -0.470 100.7 -76.3 -91.7 157.0 27.6 -26.6 -14.7 114 131 A Q >> - 0 0 52 -2,-0.2 4,-2.4 1,-0.1 3,-0.9 -0.247 53.4-113.0 -46.7 134.5 28.9 -26.8 -11.2 115 132 A K H 3> S+ 0 0 108 1,-0.3 4,-3.1 2,-0.2 5,-0.2 0.788 112.3 51.4 -51.0 -44.0 26.3 -25.2 -8.9 116 133 A P H 3> S+ 0 0 63 0, 0.0 4,-1.7 0, 0.0 -1,-0.3 0.890 114.2 45.4 -62.9 -35.2 28.2 -22.1 -7.8 117 134 A F H <> S+ 0 0 7 -3,-0.9 4,-2.6 2,-0.2 -2,-0.2 0.924 114.2 49.3 -69.0 -48.6 29.0 -21.3 -11.4 118 135 A E H X S+ 0 0 9 -4,-2.4 4,-2.7 2,-0.2 5,-0.2 0.941 110.9 48.8 -51.2 -57.1 25.3 -22.0 -12.4 119 136 A D H X S+ 0 0 49 -4,-3.1 4,-1.3 1,-0.2 -1,-0.2 0.898 112.3 48.3 -56.1 -43.6 23.8 -19.8 -9.7 120 137 A A H >X S+ 0 0 0 -4,-1.7 4,-1.5 -5,-0.2 3,-0.8 0.960 112.0 49.1 -62.1 -49.1 26.1 -16.9 -10.4 121 138 A S H >< S+ 0 0 0 -4,-2.6 3,-0.6 1,-0.3 -2,-0.2 0.903 113.6 45.6 -58.5 -47.9 25.3 -17.1 -14.1 122 139 A F H 3< S+ 0 0 21 -4,-2.7 -1,-0.3 1,-0.2 -2,-0.2 0.644 109.5 56.8 -70.6 -16.3 21.5 -17.2 -13.5 123 140 A A H << S+ 0 0 13 -4,-1.3 -1,-0.2 -3,-0.8 -2,-0.2 0.726 95.6 80.1 -82.7 -24.4 21.8 -14.3 -11.0 124 141 A L S << S- 0 0 2 -4,-1.5 2,-0.2 -3,-0.6 3,-0.1 -0.526 75.6-135.9 -77.0 145.3 23.4 -12.0 -13.6 125 142 A R > - 0 0 66 -2,-0.2 3,-2.6 1,-0.2 19,-0.3 -0.629 48.1 -66.5 -91.6 162.1 21.4 -10.2 -16.2 126 143 A T T 3 S+ 0 0 85 1,-0.3 19,-0.2 -2,-0.2 -1,-0.2 -0.221 126.3 15.6 -44.6 127.2 22.4 -10.1 -19.9 127 144 A G T 3 S+ 0 0 55 17,-3.0 -1,-0.3 1,-0.3 2,-0.1 0.317 98.3 125.1 88.2 -8.3 25.7 -8.0 -20.1 128 145 A E < - 0 0 38 -3,-2.6 16,-1.9 16,-0.2 2,-0.4 -0.494 49.0-140.2 -88.2 155.4 26.5 -8.2 -16.3 129 146 A M B -E 143 0B 39 14,-0.2 14,-0.2 -2,-0.1 2,-0.1 -0.926 8.2-137.7-118.6 141.3 29.7 -9.4 -14.8 130 147 A S - 0 0 2 12,-2.7 -106,-0.2 -2,-0.4 3,-0.1 -0.359 12.1-130.6 -80.5 166.2 30.4 -11.5 -11.7 131 148 A G - 0 0 6 -108,-2.9 11,-0.4 1,-0.2 2,-0.2 -0.140 68.9 -35.5 -86.0-162.1 33.0 -11.1 -9.0 132 149 A P - 0 0 22 0, 0.0 2,-0.5 0, 0.0 -1,-0.2 -0.464 63.3-169.5 -55.9 124.4 35.1 -14.1 -7.9 133 150 A V E -F 140 0B 4 7,-2.0 7,-2.9 -2,-0.2 2,-0.5 -0.989 12.0-143.2-121.8 125.0 33.0 -17.3 -8.1 134 151 A F E +F 139 0B 89 -2,-0.5 2,-0.2 5,-0.2 5,-0.2 -0.719 28.1 158.8 -94.4 122.3 34.6 -20.4 -6.5 135 152 A T - 0 0 16 3,-3.4 3,-0.3 -2,-0.5 -2,-0.0 -0.740 57.7 -96.2-123.7-176.7 34.2 -23.9 -8.0 136 153 A D S S+ 0 0 105 -2,-0.2 -85,-2.6 1,-0.2 -84,-0.2 0.738 124.4 59.3 -66.1 -23.2 36.0 -27.2 -7.8 137 154 A S S S- 0 0 31 -87,-0.2 2,-0.3 1,-0.2 -90,-0.3 0.761 121.3 -95.4 -75.4 -29.6 37.7 -26.1 -11.1 138 155 A G - 0 0 0 -3,-0.3 -3,-3.4 -92,-0.2 2,-0.4 -0.995 62.1 -30.6 152.4-143.5 39.2 -22.9 -9.5 139 156 A I E -DF 45 134B 0 -94,-2.1 -94,-2.4 -2,-0.3 2,-0.3 -0.934 59.7-165.7-114.7 131.9 38.1 -19.3 -9.4 140 157 A H E -DF 44 133B 6 -7,-2.9 -7,-2.0 -2,-0.4 2,-0.4 -0.797 25.0-155.1-116.8 154.4 36.1 -17.6 -12.2 141 158 A I E -D 43 0B 0 -98,-2.2 -98,-2.4 -2,-0.3 2,-0.4 -0.988 29.0-162.4-109.7 139.1 35.0 -14.3 -13.5 142 159 A I E -D 42 0B 0 -2,-0.4 -12,-2.7 -11,-0.4 2,-0.5 -0.929 15.2-167.5-124.1 141.3 31.8 -14.7 -15.5 143 160 A L E -DE 41 129B 27 -102,-2.8 -102,-2.6 -2,-0.4 2,-0.5 -0.982 18.0-141.9-127.3 120.5 30.1 -12.5 -18.0 144 161 A R E +D 40 0B 26 -16,-1.9 -17,-3.0 -2,-0.5 -104,-0.3 -0.693 23.1 174.1 -82.7 123.1 26.6 -13.3 -19.1 145 162 A T 0 0 51 -106,-3.8 -105,-0.2 -2,-0.5 -1,-0.2 0.760 360.0 360.0-105.0 -27.0 26.1 -12.6 -22.8 146 163 A E 0 0 121 -107,-1.7 -107,-3.2 -20,-0.1 -1,-0.3 -0.961 360.0 360.0-141.2 360.0 22.6 -13.9 -23.5