==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 20-OCT-10 3PBE . COMPND 2 MOLECULE: GLUTAMINYL-PEPTIDE CYCLOTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR K.F.HUANG,S.S.LIAW,W.L.HUANG,C.Y.CHIA,Y.C.LO,Y.L.CHEN,A.H.J. . 646 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26354.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 424 65.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 48 7.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 42 6.5 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 . 4 0.6 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 . 1 0.2 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 . 49 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 72 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 172 26.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 2.5 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 3 2 0 2 0 0 2 2 0 2 0 2 2 0 0 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 0 2 2 0 0 2 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 . 5 0 0 2 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 0 2 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 33 A A 0 0 144 0, 0.0 2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 96.2 -6.6 -32.2 36.6 2 34 A S - 0 0 92 1,-0.1 0, 0.0 2,-0.0 0, 0.0 -0.355 360.0-150.5 -63.3 140.9 -9.0 -32.0 33.6 3 35 A A > + 0 0 57 1,-0.2 3,-2.2 2,-0.1 4,-0.4 0.106 62.3 120.6 -87.0 17.3 -7.6 -30.5 30.4 4 36 A W G > + 0 0 16 1,-0.3 3,-1.8 2,-0.2 4,-0.4 0.840 63.6 61.4 -61.9 -32.0 -11.2 -29.3 29.5 5 37 A P G 3 S+ 0 0 21 0, 0.0 -1,-0.3 0, 0.0 3,-0.2 0.656 99.6 59.3 -71.1 -8.2 -10.2 -25.5 29.4 6 38 A E G X> S+ 0 0 100 -3,-2.2 3,-1.3 1,-0.2 4,-0.5 0.530 79.1 87.7 -84.5 -11.7 -7.8 -26.5 26.6 7 39 A E H X> S+ 0 0 74 -3,-1.8 3,-1.6 -4,-0.4 4,-1.0 0.864 78.5 63.9 -56.9 -35.2 -10.6 -27.8 24.3 8 40 A K H 34 S+ 0 0 34 -4,-0.4 -1,-0.3 1,-0.3 3,-0.3 0.829 94.0 63.3 -61.8 -25.1 -11.2 -24.3 22.9 9 41 A N H <4 S+ 0 0 85 -3,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.785 114.6 30.0 -66.9 -27.6 -7.7 -24.5 21.4 10 42 A Y H << S+ 0 0 163 -3,-1.6 -1,-0.2 -4,-0.5 -2,-0.2 0.369 87.8 127.8-110.6 -6.6 -8.6 -27.5 19.2 11 43 A H < - 0 0 15 -4,-1.0 -3,-0.0 -3,-0.3 310,-0.0 -0.365 39.6-166.8 -59.5 136.4 -12.3 -26.8 18.6 12 44 A Q - 0 0 114 309,-0.1 2,-0.1 -2,-0.1 -2,-0.1 -0.895 19.9-112.0-123.7 150.8 -13.2 -26.8 14.9 13 45 A P - 0 0 24 0, 0.0 2,-0.7 0, 0.0 308,-0.2 -0.446 16.4-129.8 -77.4 157.5 -16.4 -25.5 13.3 14 46 A A - 0 0 40 306,-2.3 310,-0.1 305,-0.2 309,-0.1 -0.933 37.9-136.8-102.1 100.4 -19.0 -27.8 11.6 15 47 A I - 0 0 110 -2,-0.7 2,-0.3 1,-0.1 302,-0.0 -0.331 7.9-126.3 -68.9 134.1 -19.3 -25.9 8.3 16 48 A L - 0 0 20 300,-0.1 -1,-0.1 -2,-0.1 2,-0.1 -0.625 21.0-132.3 -78.1 139.2 -22.7 -25.3 6.7 17 49 A N > - 0 0 108 -2,-0.3 4,-2.3 1,-0.1 5,-0.2 -0.285 36.1 -88.7 -74.6 175.0 -23.3 -26.5 3.1 18 50 A S H > S+ 0 0 44 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.850 126.3 51.0 -53.9 -44.3 -24.9 -24.2 0.4 19 51 A S H > S+ 0 0 76 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.937 111.8 45.9 -67.5 -41.5 -28.4 -25.3 1.2 20 52 A A H > S+ 0 0 27 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.885 111.0 55.2 -65.5 -35.9 -28.0 -24.6 5.0 21 53 A L H X S+ 0 0 7 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.942 108.2 47.8 -63.0 -42.3 -26.4 -21.2 4.1 22 54 A R H X S+ 0 0 108 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.893 108.5 55.1 -62.6 -41.3 -29.4 -20.3 2.0 23 55 A Q H X S+ 0 0 104 -4,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.931 110.2 45.1 -58.8 -41.8 -31.7 -21.3 4.9 24 56 A I H X S+ 0 0 7 -4,-2.3 4,-0.7 2,-0.2 -2,-0.2 0.930 111.5 52.8 -67.5 -43.7 -29.9 -19.0 7.4 25 57 A A H >< S+ 0 0 8 -4,-2.4 3,-0.7 1,-0.2 -1,-0.2 0.919 114.5 42.7 -57.8 -42.6 -29.8 -16.1 4.9 26 58 A E H 3< S+ 0 0 156 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.756 106.0 63.4 -74.0 -24.4 -33.6 -16.5 4.4 27 59 A G H 3< S+ 0 0 39 -4,-1.7 2,-0.4 -5,-0.2 -1,-0.2 0.525 89.2 76.9 -84.5 -0.9 -34.3 -17.0 8.2 28 60 A T << - 0 0 12 -4,-0.7 2,-0.5 -3,-0.7 110,-0.1 -0.856 64.1-157.6-108.5 146.2 -33.2 -13.6 9.3 29 61 A S > - 0 0 22 -2,-0.4 4,-2.6 1,-0.2 5,-0.2 -0.923 11.5-170.5-129.6 106.5 -35.3 -10.5 8.8 30 62 A I H > S+ 0 0 18 -2,-0.5 4,-2.5 1,-0.2 -1,-0.2 0.879 91.6 51.4 -63.4 -36.3 -33.6 -7.0 8.8 31 63 A S H > S+ 0 0 78 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.908 109.9 48.3 -71.6 -37.8 -37.0 -5.2 8.8 32 64 A E H >>S+ 0 0 90 2,-0.2 4,-2.8 1,-0.2 5,-0.5 0.930 113.7 47.6 -64.7 -44.7 -38.3 -7.3 11.8 33 65 A M H X>S+ 0 0 0 -4,-2.6 5,-2.9 3,-0.2 4,-2.3 0.940 111.1 53.4 -55.0 -46.0 -35.0 -6.5 13.7 34 66 A W H <>S+ 0 0 35 -4,-2.5 5,-2.4 3,-0.2 -2,-0.2 0.929 119.0 31.0 -57.5 -49.1 -35.4 -2.9 12.8 35 67 A Q H <5S+ 0 0 123 -4,-2.2 -1,-0.2 3,-0.2 -2,-0.2 0.918 130.5 32.7 -79.2 -39.6 -38.9 -2.4 14.1 36 68 A N H <5S+ 0 0 54 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.2 0.764 132.0 18.7 -97.5 -30.0 -38.9 -4.9 17.0 37 69 A D T <>4 - 0 0 54 64,-0.3 3,-2.3 1,-0.2 6,-0.4 -0.372 61.5 -69.1 -66.5 158.8 -26.7 6.4 29.9 47 79 A P T 3 S+ 0 0 5 0, 0.0 -1,-0.2 0, 0.0 41,-0.1 -0.201 120.8 13.6 -60.2 136.2 -26.2 4.5 33.1 48 80 A G T 3 S+ 0 0 56 1,-0.3 -2,-0.1 -3,-0.1 40,-0.1 0.259 98.9 124.2 90.8 -10.5 -28.7 5.2 35.9 49 81 A S S X> S- 0 0 10 -3,-2.3 4,-1.7 1,-0.1 3,-0.5 -0.336 76.4-112.9 -82.1 165.4 -31.1 7.0 33.5 50 82 A P H 3> S+ 0 0 112 0, 0.0 4,-2.3 0, 0.0 5,-0.1 0.836 119.3 56.6 -65.2 -28.0 -34.7 6.0 32.9 51 83 A G H 3> S+ 0 0 13 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.827 100.7 56.4 -70.7 -27.8 -33.8 5.0 29.4 52 84 A S H <> S+ 0 0 1 -3,-0.5 4,-2.5 -6,-0.4 5,-0.2 0.943 109.9 47.3 -64.7 -44.1 -31.1 2.5 30.7 53 85 A Y H X S+ 0 0 134 -4,-1.7 4,-2.4 1,-0.2 -2,-0.2 0.951 113.5 46.4 -58.6 -50.6 -34.0 1.0 32.7 54 86 A A H X S+ 0 0 47 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.905 112.8 51.0 -61.1 -40.7 -36.3 0.9 29.6 55 87 A A H X S+ 0 0 0 -4,-3.0 4,-2.9 2,-0.2 5,-0.2 0.940 110.1 48.6 -62.4 -47.9 -33.4 -0.6 27.4 56 88 A R H X S+ 0 0 38 -4,-2.5 4,-2.9 2,-0.2 5,-0.2 0.923 112.1 49.3 -56.6 -45.1 -32.7 -3.3 30.0 57 89 A Q H X S+ 0 0 61 -4,-2.4 4,-2.9 1,-0.2 5,-0.2 0.926 112.0 48.5 -61.4 -42.4 -36.5 -4.2 30.1 58 90 A H H X S+ 0 0 21 -4,-2.5 4,-2.5 2,-0.2 5,-0.2 0.943 112.0 48.1 -64.2 -46.3 -36.7 -4.3 26.3 59 91 A I H X S+ 0 0 0 -4,-2.9 4,-1.6 1,-0.2 -2,-0.2 0.951 115.0 45.9 -62.6 -44.7 -33.6 -6.5 26.1 60 92 A M H X S+ 0 0 29 -4,-2.9 4,-3.0 -5,-0.2 -2,-0.2 0.932 112.9 49.1 -63.4 -44.7 -34.9 -8.9 28.8 61 93 A Q H X S+ 0 0 115 -4,-2.9 4,-1.6 -5,-0.2 -1,-0.2 0.902 108.9 52.7 -63.0 -40.7 -38.5 -9.1 27.3 62 94 A R H < S+ 0 0 39 -4,-2.5 4,-0.2 -5,-0.2 -1,-0.2 0.847 114.8 42.0 -63.0 -36.2 -37.2 -9.9 23.8 63 95 A I H >< S+ 0 0 2 -4,-1.6 3,-1.7 -5,-0.2 7,-0.2 0.909 109.6 58.1 -73.9 -43.0 -35.1 -12.7 25.1 64 96 A Q H 3< S+ 0 0 125 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.766 99.3 59.9 -59.2 -30.7 -37.9 -14.0 27.5 65 97 A R T 3< S+ 0 0 149 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.1 0.630 86.3 97.6 -73.6 -11.1 -40.3 -14.5 24.6 66 98 A L S < S- 0 0 20 -3,-1.7 4,-0.1 -4,-0.2 74,-0.1 -0.298 75.6-129.6 -80.1 158.4 -38.1 -17.0 22.8 67 99 A Q S S+ 0 0 132 73,-0.1 -1,-0.1 2,-0.1 73,-0.0 0.871 78.9 95.3 -76.8 -36.3 -38.5 -20.7 23.0 68 100 A A S S- 0 0 6 71,-0.2 2,-2.1 1,-0.1 79,-0.1 -0.132 91.2-105.2 -57.3 157.0 -34.8 -21.6 23.9 69 101 A D + 0 0 84 77,-0.2 27,-0.4 78,-0.1 -1,-0.1 -0.332 50.7 174.8 -89.7 61.6 -34.1 -21.9 27.6 70 102 A W - 0 0 26 -2,-2.1 2,-0.6 -7,-0.2 25,-0.2 -0.444 21.1-149.6 -69.3 138.9 -32.3 -18.6 28.2 71 103 A V E -A 94 0A 62 23,-2.7 23,-2.3 -2,-0.1 2,-0.4 -0.934 14.1-154.1-108.0 118.7 -31.4 -17.9 31.8 72 104 A L E +A 93 0A 39 -2,-0.6 2,-0.4 21,-0.2 21,-0.2 -0.734 14.5 179.5 -94.9 133.1 -31.3 -14.1 32.4 73 105 A E E -A 92 0A 104 19,-2.7 19,-2.9 -2,-0.4 2,-0.6 -0.999 19.2-149.6-131.2 131.7 -29.3 -12.6 35.1 74 106 A I E -A 91 0A 63 -2,-0.4 2,-0.9 17,-0.2 17,-0.2 -0.907 11.2-159.1 -95.1 115.3 -28.9 -8.9 36.1 75 107 A D E -A 90 0A 3 15,-2.3 15,-2.7 -2,-0.6 2,-0.4 -0.818 18.1-177.9 -98.2 98.8 -25.4 -8.2 37.5 76 108 A T E +A 89 0A 58 -2,-0.9 2,-0.3 13,-0.3 13,-0.2 -0.827 10.0 152.0-106.8 135.3 -25.9 -4.9 39.5 77 109 A F E -A 88 0A 4 11,-2.4 11,-2.8 -2,-0.4 2,-0.3 -0.950 37.7-111.5-156.4 166.7 -23.0 -3.2 41.3 78 110 A L E +A 87 0A 11 435,-2.1 2,-0.3 -2,-0.3 9,-0.2 -0.805 30.5 175.3-102.8 145.6 -21.6 0.1 42.5 79 111 A S E -A 86 0A 27 7,-2.3 7,-2.5 -2,-0.3 2,-0.2 -0.986 34.5-110.2-144.5 149.9 -18.6 1.9 41.2 80 112 A Q + 0 0 110 -2,-0.3 5,-0.2 5,-0.2 0, 0.0 -0.549 43.5 173.5 -65.0 143.0 -17.0 5.2 41.8 81 113 A T > - 0 0 9 3,-0.3 3,-2.1 -2,-0.2 93,-0.1 -0.869 52.3 -90.0-140.6 173.4 -17.4 7.7 38.8 82 114 A P T 3 S+ 0 0 58 0, 0.0 3,-0.1 0, 0.0 92,-0.1 0.752 130.5 50.6 -61.8 -14.3 -16.5 11.4 38.2 83 115 A Y T 3 S- 0 0 130 1,-0.4 2,-0.1 0, 0.0 -3,-0.0 0.113 123.3 -99.3-104.2 17.0 -20.0 12.0 39.5 84 116 A G S < S- 0 0 26 -3,-2.1 -1,-0.4 2,-0.0 -3,-0.3 -0.393 73.1 -13.2 96.8-176.5 -19.7 10.0 42.7 85 117 A Y S S+ 0 0 123 -5,-0.2 2,-0.3 437,-0.2 -5,-0.2 -0.379 70.3 174.2 -64.6 135.7 -20.8 6.4 43.5 86 118 A R E -A 79 0A 28 -7,-2.5 -7,-2.3 436,-0.1 2,-0.3 -0.953 28.7-118.4-139.0 162.4 -23.3 5.1 40.9 87 119 A S E -A 78 0A 28 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.771 27.1-176.2-101.2 141.5 -25.1 1.8 40.2 88 120 A F E -A 77 0A 1 -11,-2.8 -11,-2.4 -2,-0.3 2,-0.4 -0.950 10.6-154.5-134.4 155.1 -24.7 -0.1 36.9 89 121 A S E -A 76 0A 10 -2,-0.3 -13,-0.3 -13,-0.2 2,-0.2 -0.910 2.4-161.5-138.4 104.1 -26.5 -3.3 35.7 90 122 A N E -A 75 0A 0 -15,-2.7 -15,-2.3 -2,-0.4 2,-0.5 -0.555 17.3-138.3 -72.9 150.6 -24.9 -5.7 33.2 91 123 A I E -AB 74 160A 0 69,-2.7 69,-2.9 -17,-0.2 2,-0.4 -0.969 19.7-173.1-109.4 126.2 -27.4 -8.1 31.4 92 124 A I E -AB 73 159A 7 -19,-2.9 -19,-2.7 -2,-0.5 2,-0.5 -0.987 5.7-173.5-121.7 131.6 -26.3 -11.7 31.0 93 125 A S E -AB 72 158A 0 65,-3.3 65,-3.2 -2,-0.4 2,-0.4 -0.983 13.5-177.6-125.6 118.0 -28.3 -14.2 29.0 94 126 A T E -AB 71 157A 9 -23,-2.3 -23,-2.7 -2,-0.5 2,-0.4 -0.961 23.9-153.1-126.6 133.3 -27.1 -17.8 29.1 95 127 A L S S+ 0 0 2 61,-3.0 4,-0.1 -2,-0.4 -25,-0.1 -0.839 89.8 1.0 -91.1 136.6 -28.1 -21.1 27.5 96 128 A N S > S- 0 0 46 -2,-0.4 3,-2.2 -27,-0.4 -1,-0.2 0.961 73.1-165.5 52.0 68.5 -27.0 -24.1 29.7 97 129 A P T 3 S+ 0 0 63 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.789 85.7 52.4 -59.0 -26.0 -25.4 -22.2 32.6 98 130 A T T 3 S+ 0 0 96 94,-0.1 -2,-0.1 93,-0.1 2,-0.0 0.623 80.1 114.6 -86.1 -8.3 -23.8 -25.3 33.9 99 131 A A < - 0 0 3 -3,-2.2 55,-0.1 -4,-0.1 56,-0.1 -0.294 69.8-134.1 -58.1 138.0 -22.2 -26.2 30.6 100 132 A K S S+ 0 0 45 53,-0.2 2,-0.3 1,-0.1 54,-0.2 0.858 82.6 41.4 -64.5 -42.9 -18.5 -25.9 31.0 101 133 A R E -c 154 0A 8 52,-2.3 54,-2.2 103,-0.1 2,-0.4 -0.882 63.1-177.0-116.1 141.6 -17.8 -23.9 27.9 102 134 A H E -cd 155 204A 11 101,-2.5 103,-2.4 -2,-0.3 104,-0.7 -0.999 26.0-138.0-133.3 139.9 -19.6 -21.0 26.2 103 135 A L E -cd 156 206A 0 52,-2.7 54,-2.1 -2,-0.4 2,-0.5 -0.807 34.9-150.3 -76.5 132.5 -19.2 -19.1 23.1 104 136 A V E -cd 157 207A 0 102,-2.6 104,-3.1 -2,-0.5 2,-0.4 -0.940 17.6-171.4-118.0 125.1 -19.9 -15.4 24.2 105 137 A L E +cd 158 208A 0 52,-2.4 54,-2.4 -2,-0.5 2,-0.3 -0.944 22.4 173.0-105.4 141.1 -21.3 -12.7 22.1 106 138 A A E +cd 159 209A 0 102,-2.9 104,-2.7 -2,-0.4 2,-0.3 -0.978 19.6 159.5-147.0 157.2 -21.3 -9.2 23.7 107 139 A C E -c 160 0A 0 52,-1.8 54,-2.9 -2,-0.3 2,-0.4 -0.897 42.0 -99.8-156.4 178.4 -21.9 -5.5 23.2 108 140 A H E -c 161 0A 0 102,-0.3 24,-0.2 -2,-0.3 54,-0.2 -0.888 21.8-167.3-104.0 140.4 -22.5 -2.5 25.5 109 141 A Y + 0 0 0 52,-3.1 53,-0.2 -2,-0.4 2,-0.1 0.553 58.7 94.4-105.3 -8.8 -26.1 -1.3 25.9 110 142 A D - 0 0 0 51,-0.9 2,-0.4 -55,-0.0 -64,-0.3 -0.430 67.0-138.4 -70.0 158.7 -25.5 2.1 27.6 111 143 A S - 0 0 0 -66,-0.8 17,-0.1 -2,-0.1 52,-0.1 -0.906 31.4 -92.5-116.1 148.7 -25.3 5.2 25.4 112 144 A K - 0 0 9 15,-0.4 2,-0.3 -2,-0.4 -66,-0.1 -0.345 43.8-114.0 -62.1 133.0 -22.7 7.9 26.0 113 145 A Y + 0 0 78 53,-0.4 2,-0.3 -68,-0.1 -1,-0.1 -0.512 47.5 156.4 -69.9 126.7 -23.8 10.7 28.3 114 146 A F - 0 0 64 -2,-0.3 8,-0.3 8,-0.1 3,-0.1 -0.975 44.1-110.5-141.6 144.4 -24.2 14.1 26.7 115 147 A S - 0 0 76 -2,-0.3 5,-0.1 1,-0.1 7,-0.0 -0.374 51.6 -92.5 -58.1 147.2 -26.3 17.2 27.6 116 148 A H - 0 0 108 5,-0.1 2,-0.5 3,-0.1 5,-0.2 -0.355 47.5-157.0 -62.7 140.9 -29.0 17.8 25.0 117 149 A W B > -F 120 0B 153 3,-2.1 3,-1.8 1,-0.1 -1,-0.0 -0.963 66.5 -19.6-134.9 119.3 -27.6 20.1 22.5 118 150 A N T 3 S- 0 0 119 -2,-0.5 -1,-0.1 1,-0.3 3,-0.1 0.895 126.9 -55.5 43.9 49.5 -29.8 22.3 20.4 119 151 A N T 3 S+ 0 0 167 1,-0.2 2,-0.3 -3,-0.0 -1,-0.3 0.629 109.6 129.8 61.9 16.7 -32.6 19.9 21.2 120 152 A R B < -F 117 0B 88 -3,-1.8 -3,-2.1 -5,-0.1 2,-0.4 -0.802 43.0-156.4-101.5 149.7 -30.6 16.9 19.9 121 153 A V - 0 0 55 -2,-0.3 2,-0.6 -5,-0.2 -5,-0.1 -0.963 18.1-123.9-123.5 129.5 -30.2 13.7 22.0 122 154 A F + 0 0 3 -2,-0.4 -77,-0.3 -8,-0.3 -8,-0.1 -0.702 34.0 167.2 -76.1 120.6 -27.3 11.2 21.6 123 155 A V - 0 0 23 -2,-0.6 -80,-0.3 174,-0.4 6,-0.2 0.398 37.0-136.1-113.4 1.7 -28.7 7.7 21.0 124 156 A G > - 0 0 0 170,-0.2 5,-2.3 4,-0.1 6,-0.3 0.924 28.1-179.5 47.2 60.1 -25.5 5.9 19.9 125 157 A A T >S+ 0 0 0 172,-2.3 5,-2.4 1,-0.2 3,-0.2 0.932 85.2 23.9 -59.0 -49.7 -27.2 4.1 16.9 126 158 A T T 5S+ 0 0 2 1,-0.2 87,-1.2 3,-0.2 86,-0.7 0.632 112.4 83.4 -81.2 -15.6 -24.0 2.2 15.8 127 159 A D T 5S- 0 0 1 85,-0.2 -15,-0.4 1,-0.2 -1,-0.2 -0.697 127.6 -54.8-131.0 75.6 -22.6 2.6 19.4 128 160 A S T >5S+ 0 0 0 -2,-0.4 4,-2.4 -3,-0.2 5,-0.2 -0.713 117.5 94.8-133.6 47.9 -24.1 0.2 20.2 129 161 A A H > S+ 0 0 0 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.923 112.2 51.0 -51.0 -41.5 -25.0 -4.5 18.0 132 164 A C H X S+ 0 0 0 -4,-2.4 4,-2.1 -24,-0.2 -2,-0.2 0.954 112.0 45.2 -60.7 -47.8 -27.6 -5.0 20.7 133 165 A A H X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 -1,-0.2 0.840 109.6 56.4 -66.1 -33.1 -30.4 -5.5 18.1 134 166 A M H X S+ 0 0 3 -4,-2.7 4,-2.1 2,-0.2 -1,-0.2 0.895 108.3 47.5 -62.9 -41.9 -28.1 -7.9 16.1 135 167 A M H X S+ 0 0 0 -4,-2.1 4,-2.4 -5,-0.2 -2,-0.2 0.918 114.5 46.7 -65.6 -39.5 -27.6 -10.1 19.2 136 168 A L H X S+ 0 0 4 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.908 112.9 48.9 -68.1 -41.5 -31.4 -10.1 19.8 137 169 A E H X S+ 0 0 0 -4,-2.8 4,-3.7 2,-0.2 5,-0.2 0.867 109.9 51.6 -65.1 -36.5 -32.1 -10.8 16.1 138 170 A L H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.939 109.8 49.4 -65.9 -46.8 -29.6 -13.7 16.2 139 171 A A H < S+ 0 0 0 -4,-2.4 4,-0.3 2,-0.2 -2,-0.2 0.933 116.9 43.1 -53.1 -46.3 -31.3 -15.1 19.3 140 172 A R H >< S+ 0 0 58 -4,-2.6 3,-1.4 1,-0.2 4,-0.3 0.964 115.5 46.3 -67.0 -53.9 -34.7 -14.8 17.5 141 173 A A H 3< S+ 0 0 24 -4,-3.7 3,-0.2 1,-0.3 -1,-0.2 0.833 121.4 37.4 -61.0 -35.2 -33.5 -16.1 14.1 142 174 A L T 3X S+ 0 0 2 -4,-2.4 4,-2.8 -5,-0.2 3,-0.4 0.306 83.0 113.2 -98.4 6.9 -31.7 -19.1 15.5 143 175 A D H <> S+ 0 0 14 -3,-1.4 4,-2.5 -4,-0.3 5,-0.2 0.880 75.2 49.9 -53.2 -45.7 -34.2 -19.9 18.3 144 176 A K H > S+ 0 0 176 -4,-0.3 4,-0.8 -3,-0.2 -1,-0.2 0.915 115.9 44.0 -62.4 -41.2 -35.4 -23.3 16.9 145 177 A K H 4 S+ 0 0 63 -3,-0.4 3,-0.5 1,-0.2 4,-0.2 0.888 113.0 50.5 -66.6 -40.5 -31.8 -24.4 16.6 146 178 A L H >< S+ 0 0 2 -4,-2.8 3,-1.8 1,-0.2 -77,-0.2 0.797 99.5 66.4 -68.4 -30.7 -30.8 -23.1 20.0 147 179 A L H >< S+ 0 0 60 -4,-2.5 3,-1.9 -5,-0.3 -1,-0.2 0.873 89.7 66.8 -56.4 -33.8 -33.8 -24.9 21.5 148 180 A S T 3< S+ 0 0 85 -4,-0.8 -1,-0.3 -3,-0.5 -2,-0.2 0.729 86.7 67.8 -61.6 -21.6 -32.0 -28.1 20.6 149 181 A L T < 0 0 37 -3,-1.8 -1,-0.3 -4,-0.2 -2,-0.2 0.582 360.0 360.0 -71.2 -14.7 -29.2 -27.3 23.2 150 182 A K < 0 0 169 -3,-1.9 -2,-0.1 -4,-0.2 -1,-0.1 0.995 360.0 360.0 -59.5 360.0 -31.7 -27.8 26.1 151 ! 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 0.0 152 189 A P 0 0 115 0, 0.0 2,-1.9 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 110.1 -18.6 -30.5 23.3 153 190 A D + 0 0 70 -51,-0.0 -52,-2.3 2,-0.0 2,-0.4 -0.612 360.0 135.2 -79.4 74.4 -20.2 -29.5 26.6 154 191 A L E + c 0 101A 11 -2,-1.9 -52,-0.2 -54,-0.2 2,-0.2 -0.987 25.7 156.9-141.2 127.0 -20.5 -26.1 24.8 155 192 A S E - 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