==== 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 3KAG . 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) . 8146.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 90 62.1 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 . 30 20.7 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 . 14 9.7 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 0 1 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 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 94 0, 0.0 3,-0.1 0, 0.0 31,-0.1 0.000 360.0 360.0 360.0 155.6 -16.8 4.1 35.0 2 8 A P > - 0 0 38 0, 0.0 3,-2.0 0, 0.0 121,-0.0 -0.087 360.0 -54.3 -63.1 169.1 -17.1 7.3 32.9 3 9 A P T 3 S+ 0 0 102 0, 0.0 19,-0.1 0, 0.0 3,-0.1 -0.123 124.9 10.2 -44.8 123.4 -18.1 10.8 34.3 4 10 A G T 3 S+ 0 0 10 1,-0.2 17,-2.9 -3,-0.1 2,-0.3 0.064 94.9 128.9 99.1 -23.4 -21.4 10.8 36.2 5 11 A W E < +A 20 0A 4 -3,-2.0 2,-0.3 15,-0.3 15,-0.3 -0.471 30.0 176.6 -81.1 127.7 -21.8 6.9 36.3 6 12 A E E -A 19 0A 106 13,-4.2 13,-2.7 -2,-0.3 2,-0.3 -0.963 28.2-124.3-125.8 149.4 -22.5 5.0 39.6 7 13 A K E +A 18 0A 110 -2,-0.3 2,-0.3 11,-0.2 11,-0.2 -0.659 39.3 171.2 -80.9 139.3 -23.2 1.3 40.4 8 14 A A E -A 17 0A 23 9,-2.6 9,-2.5 -2,-0.3 2,-0.5 -0.945 33.1-112.8-143.9 165.8 -26.5 0.7 42.2 9 15 A M E -A 16 0A 142 -2,-0.3 7,-0.2 7,-0.2 2,-0.2 -0.921 29.0-127.7-104.5 130.0 -28.7 -2.1 43.3 10 16 A S > - 0 0 17 5,-2.7 4,-1.0 -2,-0.5 6,-0.0 -0.486 10.8-148.5 -71.0 136.9 -32.1 -2.5 41.8 11 17 A R T 4 S+ 0 0 244 -2,-0.2 -1,-0.1 2,-0.1 -2,-0.0 0.607 91.3 46.3 -94.0 -3.9 -34.9 -2.8 44.4 12 18 A S T 4 S+ 0 0 126 3,-0.1 -1,-0.1 0, 0.0 -2,-0.0 0.873 130.4 16.9 -84.8 -49.5 -37.2 -5.1 42.4 13 19 A S T 4 S- 0 0 60 2,-0.2 -2,-0.1 0, 0.0 3,-0.1 0.722 89.1-127.5-103.5 -24.8 -34.7 -7.7 41.2 14 20 A G < + 0 0 45 -4,-1.0 2,-0.2 1,-0.3 -3,-0.1 0.493 63.5 141.2 79.2 4.7 -31.7 -7.2 43.4 15 21 A R - 0 0 137 -6,-0.1 -5,-2.7 1,-0.1 -1,-0.3 -0.588 58.5-110.5 -77.2 142.4 -29.7 -7.0 40.2 16 22 A V E +A 9 0A 65 -7,-0.2 2,-0.3 -2,-0.2 -7,-0.2 -0.413 44.6 172.0 -58.1 139.7 -26.8 -4.5 39.9 17 23 A Y E -A 8 0A 68 -9,-2.5 -9,-2.6 -2,-0.1 2,-0.4 -0.902 25.7-120.0-141.6 177.9 -27.6 -1.6 37.4 18 24 A Y E -AB 7 27A 15 9,-2.8 9,-2.1 -2,-0.3 2,-0.3 -0.951 23.8-177.2-124.2 141.0 -25.9 1.6 36.5 19 25 A F E -AB 6 26A 71 -13,-2.7 -13,-4.2 -2,-0.4 2,-0.5 -0.963 18.9-140.0-137.1 156.9 -27.1 5.2 36.7 20 26 A N E > -A 5 0A 0 5,-2.7 4,-2.2 -2,-0.3 -15,-0.3 -0.952 3.7-162.6-120.3 116.8 -25.7 8.5 35.8 21 27 A H T 4 S+ 0 0 113 -17,-2.9 -16,-0.1 -2,-0.5 -1,-0.1 0.620 91.4 48.0 -82.3 -7.1 -26.2 11.4 38.1 22 28 A I T 4 S+ 0 0 57 -18,-0.1 -1,-0.2 -19,-0.1 98,-0.2 0.834 126.7 24.1 -94.3 -36.9 -25.5 14.1 35.5 23 29 A T T 4 S- 0 0 0 2,-0.1 108,-2.0 97,-0.1 -2,-0.2 0.590 93.2-131.3-103.0 -10.5 -27.7 12.7 32.7 24 30 A N < + 0 0 75 -4,-2.2 2,-0.2 1,-0.3 -3,-0.1 0.624 55.5 151.0 59.7 15.5 -30.2 10.7 34.7 25 31 A A - 0 0 9 -5,-0.2 -5,-2.7 106,-0.2 2,-0.3 -0.493 23.9-172.7 -67.2 146.3 -29.6 7.8 32.3 26 32 A S E +B 19 0A 55 -7,-0.2 2,-0.3 -2,-0.2 -7,-0.2 -0.993 11.6 157.0-143.4 143.3 -30.1 4.3 33.8 27 33 A Q E -B 18 0A 44 -9,-2.1 -9,-2.8 -2,-0.3 -2,-0.0 -0.980 44.1-127.1-159.1 150.1 -29.3 0.9 32.2 28 34 A W S S+ 0 0 113 -2,-0.3 2,-0.1 -11,-0.2 -1,-0.1 0.884 87.5 81.5 -66.2 -40.4 -28.6 -2.7 33.3 29 35 A E S S- 0 0 125 1,-0.1 -11,-0.1 -11,-0.1 -2,-0.1 -0.394 90.9-106.9 -75.0 146.6 -25.4 -2.9 31.2 30 36 A R - 0 0 152 -2,-0.1 2,-0.2 1,-0.1 -1,-0.1 -0.503 42.5-115.5 -66.5 128.9 -22.0 -1.5 32.3 31 37 A P 0 0 9 0, 0.0 -1,-0.1 0, 0.0 -26,-0.0 -0.474 360.0 360.0 -74.8 139.7 -21.3 1.7 30.3 32 38 A S 0 0 125 -2,-0.2 93,-0.0 -31,-0.1 0, 0.0 -0.392 360.0 360.0 -62.9 360.0 -18.2 1.8 27.9 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 0 161 0, 0.0 89,-0.1 0, 0.0 88,-0.0 0.000 360.0 360.0 360.0 117.8 -14.6 15.1 26.9 35 52 A P - 0 0 46 0, 0.0 3,-0.1 0, 0.0 87,-0.0 -0.298 360.0-129.9 -76.4 160.2 -15.1 16.5 23.3 36 53 A A S S+ 0 0 84 1,-0.2 74,-0.6 73,-0.1 2,-0.3 0.803 93.3 21.4 -77.1 -36.3 -15.0 20.3 22.4 37 54 A R E -C 109 0B 134 72,-0.2 2,-0.3 2,-0.0 -1,-0.2 -0.983 66.3-173.2-130.6 143.1 -18.3 20.3 20.6 38 55 A V E -C 108 0B 2 70,-2.3 70,-2.5 -2,-0.3 2,-0.5 -0.940 16.7-140.9-126.0 159.3 -21.3 17.9 20.7 39 56 A R E +C 107 0B 81 107,-2.2 106,-2.7 -2,-0.3 107,-1.6 -0.987 29.4 173.8-117.3 127.7 -24.4 17.8 18.6 40 57 A C E - D 0 144B 0 66,-1.4 65,-2.8 -2,-0.5 66,-0.4 -0.929 23.1-160.0-131.3 155.7 -27.8 17.0 20.4 41 58 A S E -CD 104 143B 10 102,-1.9 102,-3.3 -2,-0.3 2,-0.3 -0.865 22.4-175.2-118.4 165.0 -31.5 16.8 19.8 42 59 A H E - D 0 142B 8 61,-1.6 2,-0.4 -2,-0.3 100,-0.2 -0.975 27.6-136.6-155.0 165.5 -34.0 17.0 22.6 43 60 A L E - D 0 141B 0 98,-2.1 98,-1.8 -2,-0.3 2,-0.4 -0.997 26.4-160.4-124.9 126.0 -37.6 16.7 23.4 44 61 A L E - D 0 140B 6 -2,-0.4 51,-2.7 96,-0.2 2,-0.5 -0.871 10.6-168.5-112.8 133.1 -38.9 19.4 25.9 45 62 A V E - D 0 139B 3 94,-2.9 94,-2.4 -2,-0.4 2,-0.1 -0.982 17.5-157.3-118.5 119.6 -42.0 19.1 28.0 46 63 A K - 0 0 15 -2,-0.5 2,-0.3 92,-0.2 92,-0.2 -0.417 8.5-167.7 -88.0 166.5 -42.8 22.5 29.6 47 64 A H > - 0 0 7 90,-0.3 3,-2.4 -2,-0.1 17,-0.2 -0.890 43.5 -79.8-146.9 175.8 -44.9 23.0 32.7 48 65 A S T 3 S+ 0 0 61 15,-3.2 16,-0.1 1,-0.3 13,-0.1 0.760 127.0 49.4 -55.6 -26.0 -46.6 25.9 34.6 49 66 A Q T 3 S+ 0 0 146 3,-0.1 -1,-0.3 4,-0.0 89,-0.1 0.330 80.0 122.5 -95.6 4.3 -43.3 26.9 36.2 50 67 A S S < S- 0 0 7 -3,-2.4 87,-0.2 87,-0.1 86,-0.1 -0.423 77.8-113.0 -56.0 146.3 -41.2 27.0 33.0 51 68 A R S S+ 0 0 163 85,-2.6 86,-0.1 1,-0.3 -1,-0.1 0.794 115.2 27.0 -49.0 -36.7 -39.5 30.4 32.4 52 69 A R S S- 0 0 142 84,-0.2 2,-2.4 85,-0.2 -1,-0.3 -0.819 75.7-165.6-133.5 92.0 -41.8 30.7 29.3 53 70 A P + 0 0 56 0, 0.0 8,-3.3 0, 0.0 2,-0.3 -0.246 63.2 80.4 -79.1 61.2 -45.1 28.7 29.9 54 71 A S + 0 0 33 -2,-2.4 2,-0.3 6,-0.2 5,-0.2 -0.977 50.4 168.1-160.6 144.4 -46.0 28.8 26.2 55 72 A S B > -G 58 0C 11 3,-2.3 3,-0.9 -2,-0.3 41,-0.1 -0.966 52.6 -90.3-157.0 176.5 -45.1 27.0 23.0 56 73 A W T 3 S+ 0 0 110 -2,-0.3 3,-0.1 1,-0.3 39,-0.1 0.749 125.3 50.2 -60.7 -22.2 -46.0 26.4 19.4 57 74 A R T 3 S+ 0 0 93 1,-0.3 2,-0.3 37,-0.1 -1,-0.3 0.749 124.4 14.9 -86.6 -26.7 -48.2 23.4 20.6 58 75 A Q B < -G 55 0C 74 -3,-0.9 -3,-2.3 1,-0.1 -1,-0.3 -0.922 59.9-148.6-159.7 117.5 -50.1 25.2 23.3 59 76 A E S S+ 0 0 179 -2,-0.3 2,-0.5 1,-0.2 -1,-0.1 0.835 94.6 27.6 -57.5 -42.7 -50.5 29.0 24.0 60 77 A K S S- 0 0 155 -6,-0.1 2,-0.7 -5,-0.0 -6,-0.2 -0.975 78.2-153.7-125.0 112.5 -50.8 28.7 27.8 61 78 A I + 0 0 4 -8,-3.3 -11,-0.1 -2,-0.5 -14,-0.1 -0.809 23.8 164.6 -88.7 121.8 -49.1 25.7 29.2 62 79 A T + 0 0 84 -2,-0.7 -1,-0.1 -16,-0.1 -14,-0.1 0.431 27.1 121.9-113.0 -6.6 -50.8 24.8 32.5 63 80 A R - 0 0 34 -17,-0.1 -15,-3.2 1,-0.1 2,-0.1 -0.233 63.7-112.6 -61.2 149.6 -49.6 21.2 33.3 64 81 A T > - 0 0 58 -17,-0.2 4,-2.3 -16,-0.1 5,-0.2 -0.408 23.0-110.2 -72.4 158.6 -47.8 20.7 36.6 65 82 A K H > S+ 0 0 96 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.916 122.8 53.2 -46.1 -46.7 -44.1 19.8 36.9 66 83 A E H > S+ 0 0 145 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.915 109.4 47.1 -58.9 -46.7 -45.3 16.4 38.1 67 84 A E H > S+ 0 0 106 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.831 110.5 52.4 -66.0 -38.4 -47.5 15.9 35.0 68 85 A A H X S+ 0 0 0 -4,-2.3 4,-2.8 2,-0.2 -1,-0.2 0.900 108.7 51.5 -60.4 -44.5 -44.7 17.0 32.7 69 86 A L H X S+ 0 0 45 -4,-2.5 4,-2.9 1,-0.2 -2,-0.2 0.913 107.8 52.2 -62.3 -39.4 -42.4 14.4 34.4 70 87 A E H X S+ 0 0 95 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.896 109.9 48.0 -65.5 -34.7 -45.0 11.8 33.8 71 88 A L H X S+ 0 0 63 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.930 111.5 50.5 -66.5 -46.9 -45.2 12.7 30.1 72 89 A I H X S+ 0 0 0 -4,-2.8 4,-2.4 2,-0.2 -2,-0.2 0.918 109.5 50.6 -53.6 -49.0 -41.5 12.6 29.9 73 90 A N H X S+ 0 0 61 -4,-2.9 4,-2.2 1,-0.2 -1,-0.2 0.899 108.8 51.6 -59.6 -40.9 -41.4 9.2 31.5 74 91 A G H X S+ 0 0 20 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.897 111.2 48.7 -62.6 -40.5 -44.0 7.8 29.1 75 92 A Y H X S+ 0 0 25 -4,-2.3 4,-2.3 2,-0.2 5,-0.2 0.917 109.5 50.6 -67.4 -44.6 -41.9 9.1 26.1 76 93 A I H X S+ 0 0 21 -4,-2.4 4,-3.1 1,-0.2 5,-0.2 0.918 109.9 52.8 -56.4 -43.7 -38.7 7.5 27.5 77 94 A Q H X S+ 0 0 135 -4,-2.2 4,-2.4 1,-0.2 6,-0.3 0.915 111.3 44.6 -59.6 -45.8 -40.5 4.2 27.9 78 95 A K H X>S+ 0 0 79 -4,-2.2 6,-1.8 2,-0.2 5,-1.0 0.830 113.9 49.0 -66.8 -35.9 -41.7 4.2 24.3 79 96 A I H ><5S+ 0 0 31 -4,-2.3 3,-0.7 4,-0.2 -2,-0.2 0.945 114.9 44.9 -69.2 -46.7 -38.4 5.2 22.9 80 97 A K H 3<5S+ 0 0 126 -4,-3.1 -2,-0.2 1,-0.2 -1,-0.2 0.816 111.2 51.5 -67.8 -34.9 -36.6 2.5 24.9 81 98 A S H 3<5S- 0 0 83 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.633 112.4-120.9 -70.2 -14.7 -39.2 -0.2 24.1 82 99 A G T <<5S+ 0 0 61 -3,-0.7 -3,-0.2 -4,-0.6 -2,-0.1 0.513 79.7 124.9 82.7 8.0 -38.7 0.7 20.3 83 100 A E S > - 0 0 91 -2,-0.3 4,-2.0 1,-0.1 3,-0.6 -0.683 23.5-116.1 -96.6 158.1 -38.6 6.7 17.8 86 103 A F H 3> S+ 0 0 7 -2,-0.3 4,-3.1 1,-0.2 5,-0.2 0.889 112.4 51.7 -48.3 -46.2 -37.1 9.8 19.5 87 104 A E H 3> S+ 0 0 74 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.845 107.5 51.3 -68.7 -31.7 -37.5 11.9 16.3 88 105 A S H <> S+ 0 0 38 -3,-0.6 4,-1.7 2,-0.2 -1,-0.2 0.893 113.3 44.0 -78.0 -36.7 -41.0 11.1 15.9 89 106 A L H X S+ 0 0 4 -4,-2.0 4,-2.7 2,-0.2 5,-0.4 0.889 112.8 53.0 -71.4 -36.0 -41.9 12.0 19.5 90 107 A A H X S+ 0 0 0 -4,-3.1 4,-2.0 -5,-0.2 -2,-0.2 0.949 108.8 49.1 -63.2 -43.3 -39.9 15.1 19.4 91 108 A S H < S+ 0 0 39 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.899 120.9 35.6 -61.4 -43.8 -41.6 16.3 16.2 92 109 A Q H < S+ 0 0 94 -4,-1.7 -1,-0.2 -5,-0.1 -2,-0.2 0.806 132.1 19.2 -77.8 -33.6 -45.0 15.7 17.7 93 110 A F H < S+ 0 0 54 -4,-2.7 -3,-0.2 -5,-0.1 -2,-0.2 0.537 80.5 116.4-128.4 -7.2 -44.6 16.6 21.3 94 111 A S < - 0 0 0 -4,-2.0 -49,-0.2 -5,-0.4 5,-0.1 -0.443 50.5-150.1 -67.9 136.6 -41.6 18.8 22.1 95 112 A D S S+ 0 0 3 -51,-2.7 2,-0.4 -2,-0.1 -39,-0.2 0.273 75.0 92.3 -87.1 5.5 -42.5 22.2 23.5 96 113 A C S > S- 0 0 27 -52,-0.3 3,-2.4 -6,-0.1 4,-0.2 -0.832 85.6-127.2 -94.4 146.0 -39.4 23.6 21.9 97 114 A S G > S+ 0 0 93 -2,-0.4 3,-2.0 1,-0.3 4,-0.1 0.727 103.7 80.4 -64.9 -18.9 -39.6 25.0 18.3 98 115 A S G > > + 0 0 15 1,-0.3 5,-2.5 2,-0.2 3,-2.0 0.618 67.3 89.5 -59.7 -12.4 -36.7 22.6 17.4 99 116 A A G X 5S+ 0 0 1 -3,-2.4 3,-1.6 1,-0.3 -1,-0.3 0.825 77.5 64.1 -45.6 -37.6 -39.6 20.0 17.2 100 117 A K G < 5S+ 0 0 138 -3,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.704 102.9 45.5 -68.7 -18.4 -39.7 21.2 13.6 101 118 A A G X 5S- 0 0 38 -3,-2.0 3,-1.8 -4,-0.1 -1,-0.3 -0.151 129.6 -94.9-110.2 36.3 -36.2 19.8 13.0 102 119 A R T < 5S- 0 0 133 -3,-1.6 -3,-0.2 1,-0.3 -12,-0.2 0.778 81.4 -58.9 55.3 31.5 -37.0 16.5 14.8 103 120 A G T 3 -C 37 0B 30 -2,-0.3 3,-1.1 -72,-0.2 4,-0.3 -0.647 46.0 -71.3-116.0 173.6 -19.6 23.9 22.7 110 127 A R T 3 S+ 0 0 89 -74,-0.6 -1,-0.1 -2,-0.2 5,-0.0 -0.421 115.6 46.1 -64.3 150.2 -19.5 24.6 26.5 111 128 A G T 3 S+ 0 0 68 2,-0.2 -1,-0.2 -3,-0.1 4,-0.1 0.224 95.9 78.6 101.6 -9.4 -20.6 28.0 27.5 112 129 A Q S < S+ 0 0 103 -3,-1.1 2,-0.2 2,-0.1 -2,-0.1 0.831 82.7 49.6-102.0 -35.6 -23.8 28.2 25.2 113 130 A M S S- 0 0 58 -4,-0.3 -2,-0.2 1,-0.2 5,-0.0 -0.577 98.3 -74.2-103.0 165.0 -26.7 26.2 26.9 114 131 A Q > - 0 0 61 -2,-0.2 4,-3.1 1,-0.1 3,-0.3 -0.265 54.9-113.6 -47.5 140.3 -28.3 26.2 30.3 115 132 A K H > S+ 0 0 118 1,-0.2 4,-3.4 2,-0.2 5,-0.3 0.866 112.4 49.3 -61.3 -41.4 -25.8 24.4 32.6 116 133 A P H > S+ 0 0 57 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.900 115.3 46.6 -66.2 -32.7 -27.9 21.2 33.4 117 134 A F H > S+ 0 0 7 -3,-0.3 4,-2.8 2,-0.2 -2,-0.2 0.928 115.8 45.4 -69.4 -47.3 -28.6 20.8 29.7 118 135 A E H X S+ 0 0 1 -4,-3.1 4,-2.6 2,-0.2 5,-0.2 0.936 112.1 50.2 -63.5 -46.2 -25.0 21.3 28.8 119 136 A D H X S+ 0 0 56 -4,-3.4 4,-1.1 -5,-0.2 -1,-0.2 0.943 113.2 46.1 -56.2 -49.0 -23.6 19.1 31.5 120 137 A A H >X S+ 0 0 0 -4,-1.8 4,-1.4 -5,-0.3 3,-0.9 0.946 112.0 52.8 -60.4 -48.1 -25.9 16.3 30.5 121 138 A S H 3< S+ 0 0 0 -4,-2.8 3,-0.3 1,-0.3 -1,-0.2 0.896 111.9 43.8 -52.3 -47.5 -25.1 16.8 26.8 122 139 A F H 3< S+ 0 0 9 -4,-2.6 -1,-0.3 1,-0.2 -2,-0.2 0.569 110.2 55.4 -79.3 -11.5 -21.4 16.6 27.3 123 140 A A H << S+ 0 0 18 -4,-1.1 -1,-0.2 -3,-0.9 -2,-0.2 0.661 91.4 91.0 -93.0 -18.8 -21.6 13.6 29.7 124 141 A L S < S- 0 0 2 -4,-1.4 2,-0.2 -3,-0.3 3,-0.1 -0.449 75.7-129.8 -70.3 143.9 -23.6 11.5 27.1 125 142 A R > - 0 0 64 1,-0.1 3,-2.9 -2,-0.1 19,-0.3 -0.626 45.3 -76.9 -81.8 155.3 -21.7 9.3 24.7 126 143 A T T 3 S+ 0 0 86 1,-0.3 19,-0.2 -2,-0.2 -1,-0.1 -0.340 124.1 19.6 -54.2 134.1 -22.5 9.6 20.9 127 144 A G T 3 S+ 0 0 56 17,-2.8 -1,-0.3 1,-0.3 2,-0.2 0.168 99.9 123.4 91.3 -16.1 -25.8 7.8 20.3 128 145 A E < - 0 0 22 -3,-2.9 16,-2.6 16,-0.1 2,-0.4 -0.499 48.9-146.5 -91.2 152.1 -26.8 7.9 24.0 129 146 A M B -E 143 0B 30 14,-0.2 14,-0.2 -2,-0.2 2,-0.1 -0.873 11.6-135.2-114.4 143.7 -30.0 9.3 25.4 130 147 A S - 0 0 4 12,-2.9 -106,-0.2 -2,-0.4 3,-0.1 -0.366 15.8-122.3 -80.2 170.9 -30.4 11.0 28.8 131 148 A G - 0 0 5 -108,-2.0 11,-0.4 1,-0.2 -106,-0.2 -0.171 69.3 -36.5 -82.3-159.2 -33.1 10.5 31.4 132 149 A P - 0 0 20 0, 0.0 2,-0.4 0, 0.0 -1,-0.2 -0.450 63.4-167.2 -63.8 119.8 -35.3 13.5 32.5 133 150 A V E -F 140 0B 5 7,-2.2 7,-3.0 -2,-0.2 2,-0.4 -0.987 8.6-147.7-115.2 127.6 -33.1 16.6 32.7 134 151 A F E +F 139 0B 88 -2,-0.4 2,-0.3 5,-0.2 5,-0.2 -0.800 27.8 154.8-104.6 133.3 -34.6 19.6 34.5 135 152 A T E > -F 138 0B 14 3,-2.5 3,-1.0 -2,-0.4 -2,-0.0 -0.852 61.3 -90.5-135.7 173.7 -33.8 23.2 33.4 136 153 A D T 3 S+ 0 0 105 -2,-0.3 -85,-2.6 1,-0.2 -84,-0.2 0.718 125.4 60.6 -61.1 -19.0 -35.7 26.5 33.8 137 154 A S T 3 S- 0 0 24 1,-0.2 2,-0.3 -87,-0.2 -90,-0.3 0.774 119.5 -98.1 -73.9 -28.3 -37.3 25.8 30.4 138 155 A G E < - F 0 135B 1 -3,-1.0 -3,-2.5 -92,-0.2 2,-0.5 -0.996 60.5 -28.0 148.6-144.7 -38.8 22.5 31.6 139 156 A I E -DF 45 134B 0 -94,-2.4 -94,-2.9 -2,-0.3 2,-0.3 -0.971 59.1-168.3-119.4 125.8 -38.0 18.8 31.5 140 157 A H E -DF 44 133B 7 -7,-3.0 -7,-2.2 -2,-0.5 2,-0.5 -0.844 25.0-152.6-113.8 155.9 -35.9 17.4 28.6 141 158 A I E -D 43 0B 0 -98,-1.8 -98,-2.1 -2,-0.3 2,-0.4 -0.985 30.3-158.8-113.3 127.2 -34.9 14.0 27.1 142 159 A I E -D 42 0B 0 -2,-0.5 -12,-2.9 -11,-0.4 2,-0.5 -0.927 12.8-166.9-113.9 134.2 -31.6 14.7 25.3 143 160 A L E -DE 41 129B 27 -102,-3.3 -102,-1.9 -2,-0.4 2,-0.6 -0.966 14.2-145.9-118.5 121.4 -30.1 12.5 22.6 144 161 A R E +D 40 0B 25 -16,-2.6 -17,-2.8 -2,-0.5 -104,-0.3 -0.741 22.7 172.4 -83.8 120.7 -26.4 13.1 21.7 145 162 A T 0 0 50 -106,-2.7 -105,-0.2 -2,-0.6 -1,-0.2 0.571 360.0 360.0-107.7 -16.5 -26.1 12.5 17.9 146 163 A E 0 0 120 -107,-1.6 -107,-2.2 -21,-0.0 -1,-0.3 -0.984 360.0 360.0-147.6 360.0 -22.4 13.6 17.4