==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 13-DEC-07 2ZEO . COMPND 2 MOLECULE: GLUTAMINYL-PEPTIDE CYCLOTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR K.F.HUANG,Y.R.WANG,E.C.CHANG,T.L.CHOU,A.H.WANG . 643 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26603.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 418 65.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 46 7.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 40 6.2 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 . 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 . 49 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 70 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 172 26.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 2.3 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 2 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 . 2 0 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 . 4 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 . 0 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 0 134 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 88.2 -6.8 -32.7 36.7 2 34 A S - 0 0 90 1,-0.1 0, 0.0 2,-0.0 0, 0.0 -0.036 360.0-150.9 -49.9 144.1 -9.1 -32.3 33.6 3 35 A A > + 0 0 55 1,-0.2 3,-2.3 2,-0.1 4,-0.4 0.060 57.3 124.5-101.8 23.0 -7.7 -30.5 30.6 4 36 A W G > + 0 0 17 1,-0.3 3,-1.8 2,-0.2 4,-0.4 0.838 63.7 63.7 -57.5 -33.1 -11.2 -29.3 29.5 5 37 A P G 3 S+ 0 0 26 0, 0.0 -1,-0.3 0, 0.0 3,-0.2 0.646 98.2 58.8 -66.2 -9.8 -10.2 -25.6 29.4 6 38 A E G X S+ 0 0 99 -3,-2.3 3,-1.5 1,-0.2 4,-0.5 0.568 80.0 88.4 -88.3 -11.2 -7.8 -26.6 26.6 7 39 A E G X> S+ 0 0 75 -3,-1.8 3,-1.7 -4,-0.4 4,-1.0 0.857 77.5 64.3 -54.6 -37.8 -10.6 -27.9 24.4 8 40 A K G 34 S+ 0 0 30 -4,-0.4 3,-0.3 1,-0.3 -1,-0.3 0.815 92.7 63.6 -57.9 -29.8 -11.1 -24.5 22.9 9 41 A N G <4 S+ 0 0 85 -3,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.768 113.4 32.0 -65.1 -26.9 -7.7 -24.6 21.4 10 42 A Y T <4 S+ 0 0 160 -3,-1.7 -1,-0.2 -4,-0.5 -2,-0.2 0.387 86.6 128.9-110.8 -2.3 -8.6 -27.6 19.2 11 43 A H < - 0 0 17 -4,-1.0 -3,-0.0 -3,-0.3 310,-0.0 -0.361 38.3-166.1 -61.0 131.3 -12.2 -26.8 18.6 12 44 A Q - 0 0 115 -2,-0.1 2,-0.1 309,-0.1 -2,-0.1 -0.853 19.5-113.3-118.6 152.6 -13.2 -26.9 14.9 13 45 A P - 0 0 24 0, 0.0 2,-0.8 0, 0.0 308,-0.2 -0.425 16.5-130.1 -79.6 159.5 -16.4 -25.6 13.3 14 46 A A - 0 0 39 306,-2.1 310,-0.2 305,-0.2 309,-0.1 -0.933 38.5-136.7-107.6 99.8 -19.0 -27.9 11.6 15 47 A I - 0 0 107 -2,-0.8 2,-0.2 1,-0.1 302,-0.0 -0.300 7.3-125.2 -68.8 136.3 -19.3 -26.1 8.3 16 48 A L - 0 0 20 300,-0.1 -1,-0.1 -2,-0.1 2,-0.1 -0.575 21.0-133.5 -80.9 140.4 -22.7 -25.4 6.7 17 49 A N > - 0 0 110 -2,-0.2 4,-2.5 1,-0.1 5,-0.2 -0.305 35.7 -89.2 -83.4 175.8 -23.2 -26.6 3.1 18 50 A S H > S+ 0 0 42 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.887 125.7 51.7 -53.8 -44.6 -24.9 -24.3 0.4 19 51 A S H > S+ 0 0 78 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.927 111.9 46.1 -61.9 -41.1 -28.4 -25.4 1.2 20 52 A A H > S+ 0 0 26 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.895 109.6 55.1 -68.2 -39.0 -28.0 -24.7 4.9 21 53 A L H X S+ 0 0 7 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.925 107.5 49.9 -61.1 -40.7 -26.4 -21.3 4.1 22 54 A R H X S+ 0 0 119 -4,-2.4 4,-2.3 -5,-0.2 -1,-0.2 0.899 108.6 53.7 -65.6 -34.2 -29.4 -20.3 2.0 23 55 A Q H X S+ 0 0 113 -4,-1.7 4,-1.5 -5,-0.2 -2,-0.2 0.944 110.0 45.9 -64.0 -43.5 -31.6 -21.4 4.9 24 56 A I H X S+ 0 0 8 -4,-2.4 4,-0.6 1,-0.2 3,-0.5 0.944 111.2 52.6 -65.5 -43.1 -29.8 -19.1 7.3 25 57 A A H >< S+ 0 0 6 -4,-2.6 3,-0.7 1,-0.2 -1,-0.2 0.916 113.3 44.4 -58.1 -43.0 -29.8 -16.2 4.9 26 58 A E H 3< S+ 0 0 157 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.720 105.5 64.0 -74.3 -18.1 -33.6 -16.5 4.4 27 59 A G H 3< S+ 0 0 38 -4,-1.5 2,-0.4 -3,-0.5 -1,-0.2 0.491 87.4 74.0 -89.1 -1.9 -34.3 -17.0 8.2 28 60 A T << - 0 0 11 -3,-0.7 2,-0.5 -4,-0.6 110,-0.1 -0.897 64.7-156.6-111.1 144.3 -33.2 -13.6 9.4 29 61 A S > - 0 0 35 -2,-0.4 4,-2.3 1,-0.1 5,-0.2 -0.931 11.1-169.9-125.4 108.7 -35.3 -10.5 8.8 30 62 A I H > S+ 0 0 15 -2,-0.5 4,-2.6 1,-0.2 -1,-0.1 0.860 91.1 53.5 -66.5 -33.3 -33.6 -7.1 8.9 31 63 A S H > S+ 0 0 72 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.901 109.3 47.3 -70.7 -35.0 -36.9 -5.3 8.8 32 64 A E H > S+ 0 0 86 2,-0.2 4,-2.7 1,-0.2 5,-0.5 0.910 113.0 49.4 -69.1 -40.7 -38.3 -7.3 11.9 33 65 A M H X>S+ 0 0 0 -4,-2.3 5,-2.8 1,-0.2 4,-2.5 0.956 110.1 53.4 -58.7 -47.9 -35.0 -6.6 13.7 34 66 A W H <>S+ 0 0 32 -4,-2.6 5,-2.5 3,-0.2 -2,-0.2 0.918 118.6 31.9 -51.9 -52.3 -35.3 -2.9 12.8 35 67 A Q H <5S+ 0 0 114 -4,-2.1 -1,-0.2 3,-0.2 -2,-0.2 0.923 129.7 32.1 -75.6 -43.9 -38.8 -2.5 14.2 36 68 A N H <5S+ 0 0 38 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.2 0.737 132.2 19.1 -91.1 -25.7 -38.9 -4.9 17.1 37 69 A D T <5S+ 0 0 1 -4,-2.5 4,-0.3 -5,-0.5 -3,-0.2 0.747 125.7 38.6-114.0 -40.7 -35.3 -4.9 18.4 38 70 A L T >>4 - 0 0 56 64,-0.3 3,-2.1 1,-0.2 6,-0.4 -0.316 62.1 -67.4 -68.8 159.0 -26.6 6.4 29.9 47 79 A P T 3 S+ 0 0 4 0, 0.0 -1,-0.2 0, 0.0 41,-0.1 -0.211 120.8 10.9 -54.5 131.5 -26.1 4.6 33.1 48 80 A G T 3 S+ 0 0 53 1,-0.3 -2,-0.1 -3,-0.1 40,-0.1 0.329 98.4 125.7 86.5 -5.4 -28.7 5.2 35.8 49 81 A S S <> S- 0 0 8 -3,-2.1 4,-1.6 1,-0.1 3,-0.4 -0.354 76.2-111.7 -83.4 163.9 -31.0 7.0 33.4 50 82 A P H > S+ 0 0 114 0, 0.0 4,-2.3 0, 0.0 5,-0.1 0.874 120.3 56.7 -60.6 -33.8 -34.7 6.1 32.9 51 83 A G H > S+ 0 0 12 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.827 99.6 57.8 -66.9 -31.9 -33.7 5.0 29.4 52 84 A S H > S+ 0 0 2 -6,-0.4 4,-2.4 -3,-0.4 -1,-0.2 0.942 108.3 46.1 -63.2 -43.1 -31.1 2.6 30.8 53 85 A Y H X S+ 0 0 139 -4,-1.6 4,-2.5 1,-0.2 -2,-0.2 0.938 113.5 49.7 -64.9 -42.2 -33.9 0.9 32.7 54 86 A A H X S+ 0 0 46 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.907 110.3 49.8 -63.4 -40.8 -36.1 0.9 29.6 55 87 A A H X S+ 0 0 0 -4,-3.0 4,-2.7 2,-0.2 5,-0.2 0.932 111.1 49.4 -64.7 -42.8 -33.3 -0.6 27.4 56 88 A R H X S+ 0 0 39 -4,-2.4 4,-2.8 -5,-0.2 5,-0.2 0.928 111.3 48.7 -62.6 -42.8 -32.7 -3.4 30.0 57 89 A Q H X S+ 0 0 58 -4,-2.5 4,-2.8 2,-0.2 -1,-0.2 0.923 111.8 50.3 -63.9 -39.1 -36.4 -4.3 30.2 58 90 A H H X S+ 0 0 22 -4,-2.3 4,-2.5 -5,-0.2 5,-0.2 0.946 112.0 46.5 -64.3 -46.9 -36.6 -4.3 26.4 59 91 A I H X S+ 0 0 0 -4,-2.7 4,-1.7 1,-0.2 -2,-0.2 0.951 114.9 46.6 -61.4 -46.2 -33.6 -6.6 26.1 60 92 A M H X S+ 0 0 30 -4,-2.8 4,-2.7 -5,-0.2 -2,-0.2 0.919 112.8 50.1 -63.3 -41.2 -34.8 -9.0 28.8 61 93 A Q H X S+ 0 0 115 -4,-2.8 4,-1.6 -5,-0.2 -1,-0.2 0.915 108.7 50.9 -64.7 -41.9 -38.4 -9.1 27.3 62 94 A R H < S+ 0 0 36 -4,-2.5 4,-0.2 1,-0.2 -1,-0.2 0.852 114.3 44.7 -67.0 -32.7 -37.2 -9.9 23.8 63 95 A I H >< S+ 0 0 2 -4,-1.7 3,-1.7 -5,-0.2 7,-0.2 0.926 109.3 56.5 -75.4 -40.7 -35.1 -12.7 25.1 64 96 A Q H 3< S+ 0 0 124 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.772 98.0 61.2 -62.4 -28.8 -37.8 -14.0 27.4 65 97 A R T 3< S+ 0 0 149 -4,-1.6 -1,-0.3 -5,-0.1 -2,-0.1 0.617 86.7 98.7 -74.9 -9.2 -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 -0.356 75.3-130.0 -80.2 157.7 -38.1 -17.0 22.9 67 99 A Q S S+ 0 0 136 73,-0.1 -1,-0.1 2,-0.1 73,-0.1 0.831 79.1 95.1 -74.0 -35.1 -38.5 -20.8 23.1 68 100 A A S S- 0 0 6 71,-0.2 2,-2.0 1,-0.1 79,-0.1 -0.215 91.0-105.1 -60.5 152.7 -34.9 -21.6 23.9 69 101 A D + 0 0 84 77,-0.2 27,-0.5 78,-0.1 -1,-0.1 -0.322 50.6 174.1 -80.6 55.7 -34.1 -22.0 27.6 70 102 A W - 0 0 25 -2,-2.0 2,-0.6 -7,-0.2 25,-0.2 -0.406 20.1-152.3 -67.0 136.0 -32.3 -18.7 28.2 71 103 A V E -A 94 0A 53 23,-2.4 23,-2.6 -2,-0.1 2,-0.4 -0.949 13.0-153.7-110.6 117.4 -31.4 -17.9 31.8 72 104 A L E +A 93 0A 38 -2,-0.6 2,-0.4 21,-0.2 21,-0.2 -0.762 15.5 177.2 -95.7 135.2 -31.2 -14.2 32.5 73 105 A E E -A 92 0A 105 19,-2.7 19,-3.0 -2,-0.4 2,-0.5 -0.998 18.8-149.0-134.4 139.0 -29.1 -12.6 35.2 74 106 A I E -A 91 0A 65 -2,-0.4 2,-0.9 17,-0.2 17,-0.2 -0.956 8.1-157.2-108.9 120.0 -28.6 -9.0 36.1 75 107 A D E -A 90 0A 8 15,-2.4 15,-2.9 -2,-0.5 2,-0.4 -0.860 18.8-177.0 -99.3 97.7 -25.2 -8.2 37.6 76 108 A T E +A 89 0A 61 -2,-0.9 2,-0.3 13,-0.3 13,-0.2 -0.854 10.4 154.5-103.3 132.0 -25.7 -4.9 39.5 77 109 A F E -A 88 0A 4 11,-2.3 11,-2.6 -2,-0.4 2,-0.3 -0.952 36.8-114.5-149.9 168.4 -22.8 -3.2 41.2 78 110 A L E +A 87 0A 12 435,-2.2 2,-0.3 -2,-0.3 9,-0.2 -0.794 30.3 174.4-105.4 145.3 -21.5 0.2 42.5 79 111 A S E -A 86 0A 30 7,-2.2 7,-2.4 -2,-0.3 2,-0.2 -0.988 34.4-111.9-144.9 151.7 -18.5 2.0 41.2 80 112 A Q + 0 0 109 -2,-0.3 5,-0.2 5,-0.2 442,-0.0 -0.569 43.3 174.5 -74.4 147.7 -16.9 5.4 41.8 81 113 A T > - 0 0 8 -2,-0.2 3,-2.4 3,-0.2 93,-0.1 -0.894 51.0 -89.6-144.0 174.1 -17.3 7.7 38.8 82 114 A P T 3 S+ 0 0 61 0, 0.0 3,-0.1 0, 0.0 92,-0.0 0.733 131.2 48.6 -61.0 -18.8 -16.4 11.4 38.0 83 115 A Y T 3 S- 0 0 134 1,-0.4 2,-0.1 0, 0.0 -3,-0.0 0.154 124.1 -99.7-104.9 14.6 -20.0 12.1 39.3 84 116 A G S < S- 0 0 26 -3,-2.4 -1,-0.4 2,-0.1 -3,-0.2 -0.405 72.0 -12.6 98.5-174.4 -19.6 10.1 42.4 85 117 A Y S S+ 0 0 127 -5,-0.2 2,-0.3 437,-0.2 -5,-0.2 -0.371 70.2 172.3 -64.9 135.5 -20.7 6.6 43.4 86 118 A R E -A 79 0A 61 -7,-2.4 -7,-2.2 -2,-0.1 2,-0.3 -0.961 29.0-118.7-141.2 162.0 -23.2 5.1 40.9 87 119 A S E -A 78 0A 26 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.791 25.9-174.2-102.8 144.2 -25.0 1.8 40.2 88 120 A F E -A 77 0A 1 -11,-2.6 -11,-2.3 -2,-0.3 2,-0.4 -0.938 9.8-155.0-134.3 153.7 -24.6 -0.2 37.0 89 121 A S E -A 76 0A 10 -2,-0.3 -13,-0.3 -13,-0.2 2,-0.2 -0.897 2.8-162.1-137.5 106.6 -26.3 -3.3 35.7 90 122 A N E -A 75 0A 0 -15,-2.9 -15,-2.4 -2,-0.4 2,-0.5 -0.579 16.9-139.1 -79.5 148.1 -24.8 -5.8 33.2 91 123 A I E -AB 74 160A 0 69,-2.7 69,-2.9 -17,-0.2 2,-0.5 -0.939 18.6-173.0-110.1 128.2 -27.3 -8.2 31.5 92 124 A I E -AB 73 159A 11 -19,-3.0 -19,-2.7 -2,-0.5 2,-0.5 -0.973 4.7-173.2-123.2 129.1 -26.2 -11.8 31.0 93 125 A S E -AB 72 158A 0 65,-3.1 65,-2.9 -2,-0.5 2,-0.4 -0.976 13.8-177.8-121.1 120.4 -28.2 -14.2 29.0 94 126 A T E -AB 71 157A 4 -23,-2.6 -23,-2.4 -2,-0.5 2,-0.4 -0.952 24.8-153.9-129.7 134.8 -27.1 -17.9 29.1 95 127 A L S S+ 0 0 3 61,-2.9 4,-0.1 -2,-0.4 -25,-0.1 -0.846 89.8 3.7 -93.6 135.5 -28.1 -21.2 27.5 96 128 A N S > S- 0 0 47 -27,-0.5 3,-2.2 -2,-0.4 -1,-0.2 0.968 72.5-165.2 55.2 65.0 -27.0 -24.2 29.7 97 129 A P T 3 S+ 0 0 62 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.744 85.9 48.8 -51.4 -31.8 -25.5 -22.3 32.7 98 130 A T T 3 S+ 0 0 97 94,-0.1 -2,-0.1 93,-0.1 -3,-0.0 0.551 80.1 114.0 -91.8 -4.1 -23.8 -25.4 33.9 99 131 A A S < S- 0 0 5 -3,-2.2 55,-0.1 1,-0.1 56,-0.1 -0.357 71.1-131.0 -58.9 144.2 -22.2 -26.4 30.6 100 132 A K S S+ 0 0 50 53,-0.1 2,-0.4 1,-0.1 54,-0.2 0.859 83.9 41.8 -68.6 -38.4 -18.5 -26.0 31.0 101 133 A R E -c 154 0A 9 52,-2.3 54,-2.2 103,-0.1 2,-0.4 -0.875 61.9-178.0-116.1 143.2 -17.8 -24.0 27.9 102 134 A H E -cd 155 204A 10 101,-2.5 103,-2.2 -2,-0.4 104,-0.7 -1.000 25.6-138.0-138.3 142.5 -19.6 -21.2 26.2 103 135 A L E -cd 156 206A 0 52,-2.6 54,-2.2 -2,-0.4 2,-0.5 -0.822 36.0-150.7 -84.4 134.5 -19.1 -19.2 23.0 104 136 A V E -cd 157 207A 0 102,-2.5 104,-3.3 -2,-0.5 2,-0.4 -0.956 18.3-170.6-120.8 127.9 -19.9 -15.6 24.2 105 137 A L E +cd 158 208A 0 52,-2.4 54,-2.4 -2,-0.5 2,-0.3 -0.941 21.8 173.5-108.0 141.5 -21.3 -12.7 22.1 106 138 A A E +cd 159 209A 0 102,-2.5 104,-3.0 -2,-0.4 2,-0.3 -0.971 19.4 159.9-149.5 158.3 -21.2 -9.3 23.7 107 139 A C E -c 160 0A 0 52,-1.7 54,-3.0 -2,-0.3 2,-0.4 -0.901 41.3-100.8-157.8 177.7 -21.8 -5.6 23.2 108 140 A H E -c 161 0A 1 102,-0.3 24,-0.2 -2,-0.3 54,-0.2 -0.929 21.1-166.3-109.0 139.6 -22.5 -2.6 25.5 109 141 A Y + 0 0 0 52,-2.8 53,-0.2 -2,-0.4 2,-0.1 0.508 58.4 95.1-101.8 -4.6 -26.1 -1.3 25.9 110 142 A D - 0 0 0 51,-0.8 2,-0.4 -55,-0.0 -64,-0.3 -0.463 66.2-139.2 -78.6 159.5 -25.4 2.0 27.6 111 143 A S - 0 0 0 -66,-0.8 17,-0.1 -2,-0.1 2,-0.1 -0.904 32.2 -94.8-114.4 147.0 -25.2 5.2 25.4 112 144 A K - 0 0 12 -2,-0.4 2,-0.3 15,-0.4 -66,-0.1 -0.380 44.3-109.0 -61.8 136.3 -22.5 7.8 26.2 113 145 A Y + 0 0 74 53,-0.4 2,-0.3 -2,-0.1 -1,-0.1 -0.479 48.8 156.4 -71.6 127.7 -23.7 10.7 28.4 114 146 A F - 0 0 62 -2,-0.3 8,-0.2 8,-0.1 2,-0.1 -0.977 42.1-120.5-143.8 139.9 -24.2 14.0 26.7 115 147 A S - 0 0 75 -2,-0.3 5,-0.1 1,-0.1 7,-0.1 -0.461 52.3 -84.5 -73.5 156.5 -26.4 16.9 27.9 116 148 A H - 0 0 107 -2,-0.1 2,-0.5 5,-0.1 5,-0.2 -0.390 49.0-158.5 -61.8 142.3 -29.0 17.7 25.2 117 149 A W B > -F 120 0B 144 3,-2.0 3,-2.6 1,-0.2 -1,-0.0 -0.977 66.7 -19.3-131.6 122.1 -27.6 20.1 22.6 118 150 A N T 3 S- 0 0 115 -2,-0.5 -1,-0.2 1,-0.3 3,-0.1 0.901 126.6 -56.2 49.1 45.4 -29.7 22.3 20.4 119 151 A N T 3 S+ 0 0 167 1,-0.2 2,-0.3 -3,-0.1 -1,-0.3 0.521 110.8 126.8 67.0 6.3 -32.6 19.9 21.1 120 152 A R B < -F 117 0B 94 -3,-2.6 -3,-2.0 -5,-0.1 2,-0.4 -0.730 44.4-156.5 -95.7 149.6 -30.6 16.9 19.9 121 153 A V - 0 0 53 -2,-0.3 2,-0.5 -5,-0.2 -5,-0.1 -0.972 18.3-122.8-124.0 137.6 -30.1 13.8 22.0 122 154 A F + 0 0 4 -2,-0.4 -77,-0.3 -8,-0.2 -8,-0.1 -0.651 33.6 167.1 -81.1 125.3 -27.3 11.2 21.6 123 155 A V - 0 0 25 -2,-0.5 -80,-0.3 174,-0.4 6,-0.2 0.430 36.3-136.2-116.8 0.8 -28.6 7.7 21.0 124 156 A G > + 0 0 0 170,-0.2 5,-2.1 1,-0.1 6,-0.3 0.931 28.2 179.5 47.4 59.7 -25.4 5.9 19.9 125 157 A A T >S+ 0 0 0 172,-2.2 5,-2.5 1,-0.2 3,-0.3 0.939 84.3 24.9 -60.4 -48.5 -27.0 4.0 17.0 126 158 A T T 5S+ 0 0 2 1,-0.2 87,-1.3 3,-0.2 86,-0.6 0.703 110.9 84.4 -84.3 -15.8 -23.9 2.2 15.9 127 159 A D T 5S- 0 0 1 85,-0.2 -15,-0.4 1,-0.2 -1,-0.2 -0.699 127.9 -55.9-124.9 77.1 -22.5 2.5 19.4 128 160 A S T >5S+ 0 0 0 -2,-0.4 4,-2.4 -3,-0.3 -1,-0.2 -0.688 117.2 97.1-135.4 50.1 -23.9 0.1 20.2 129 161 A A H > S+ 0 0 0 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.930 111.5 50.3 -52.5 -42.2 -24.8 -4.6 18.0 132 164 A C H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.947 112.1 46.3 -61.0 -47.5 -27.5 -5.1 20.7 133 165 A A H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.857 108.8 55.9 -63.6 -35.5 -30.2 -5.5 18.1 134 166 A M H X S+ 0 0 3 -4,-2.8 4,-1.9 2,-0.2 -1,-0.2 0.876 108.0 48.6 -63.4 -37.6 -28.0 -7.9 16.1 135 167 A M H X S+ 0 0 0 -4,-2.1 4,-2.2 -5,-0.2 -2,-0.2 0.917 112.5 47.7 -69.1 -40.4 -27.6 -10.1 19.2 136 168 A L H X S+ 0 0 4 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.895 112.1 49.6 -66.8 -37.6 -31.4 -10.1 19.8 137 169 A E H X S+ 0 0 0 -4,-2.5 4,-3.5 2,-0.2 5,-0.3 0.866 108.7 53.0 -68.9 -35.0 -32.1 -10.9 16.2 138 170 A L H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.934 108.6 49.3 -66.4 -42.3 -29.6 -13.8 16.2 139 171 A A H < S+ 0 0 0 -4,-2.2 4,-0.2 2,-0.2 -2,-0.2 0.919 116.7 43.7 -61.8 -40.7 -31.3 -15.2 19.3 140 172 A R H >< S+ 0 0 71 -4,-2.1 3,-1.5 2,-0.2 4,-0.3 0.966 115.0 46.2 -67.1 -54.0 -34.7 -14.9 17.5 141 173 A A H 3< S+ 0 0 25 -4,-3.5 3,-0.3 1,-0.3 4,-0.2 0.842 120.5 38.9 -59.7 -35.4 -33.5 -16.2 14.1 142 174 A L T 3X S+ 0 0 3 -4,-2.4 4,-3.1 -5,-0.3 3,-0.3 0.322 82.9 113.8 -97.3 9.0 -31.7 -19.2 15.6 143 175 A D H <> S+ 0 0 15 -3,-1.5 4,-2.2 1,-0.2 5,-0.2 0.869 75.5 48.3 -50.8 -50.1 -34.3 -19.9 18.3 144 176 A K H > S+ 0 0 180 -4,-0.3 4,-0.7 -3,-0.3 -1,-0.2 0.909 115.8 44.8 -61.2 -40.7 -35.4 -23.3 16.9 145 177 A K H >4 S+ 0 0 65 -3,-0.3 3,-0.8 1,-0.2 4,-0.2 0.909 113.3 50.4 -67.5 -39.3 -31.8 -24.5 16.5 146 178 A L H >< S+ 0 0 2 -4,-3.1 3,-1.9 1,-0.2 4,-0.3 0.818 98.1 67.5 -68.6 -29.0 -30.8 -23.1 19.9 147 179 A L H >< S+ 0 0 52 -4,-2.2 3,-1.7 1,-0.3 -1,-0.2 0.831 89.2 67.9 -59.6 -27.5 -33.8 -24.9 21.6 148 180 A S T << S+ 0 0 85 -3,-0.8 -1,-0.3 -4,-0.7 -2,-0.2 0.685 86.0 66.3 -69.2 -14.5 -32.0 -28.1 20.7 149 181 A L T < 0 0 38 -3,-1.9 -1,-0.3 -4,-0.2 -2,-0.2 0.583 360.0 360.0 -79.1 -11.3 -29.2 -27.4 23.2 150 182 A K < 0 0 165 -3,-1.7 -1,-0.2 -4,-0.3 -2,-0.2 0.956 360.0 360.0 -60.0 360.0 -31.8 -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 0 127 0, 0.0 2,-2.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 100.8 -18.8 -30.8 23.3 153 190 A D + 0 0 66 -51,-0.0 -52,-2.3 2,-0.0 2,-0.4 -0.575 360.0 134.3 -80.8 71.2 -20.2 -29.5 26.6 154 191 A L E + c 0 101A 13 -2,-2.2 -52,-0.2 -54,-0.2 2,-0.2 -0.989 24.7 154.7-134.5 131.6 -20.5 -26.2 24.8 155 192 A S E - 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0 0 6 1,-0.1 -53,-0.4 2,-0.1 9,-0.1 -0.494 15.1-137.3 -73.4 148.5 -16.6 7.2 30.0 167 204 A F S S+ 0 0 13 2,-0.2 -1,-0.1 -2,-0.1 3,-0.1 0.845 98.3 12.8 -74.9 -30.9 -18.8 9.8 31.7 168 205 A L S S- 0 0 88 1,-0.3 2,-0.2 6,-0.1 -2,-0.1 0.135 129.1 -44.3-110.5-134.1 -16.2 12.5 30.5 169 206 A H S S- 0 0 163 1,-0.2 -1,-0.3 -2,-0.1 -2,-0.2 -0.676 87.9 -65.2 -93.5 163.0 -13.5 11.6 27.9 170 207 A W + 0 0 130 -2,-0.2 5,-0.2 -4,-0.1 -1,-0.2 -0.062 62.4 155.2 -48.9 135.7 -11.7 8.3 28.3 171 208 A S - 0 0 42 3,-1.0 3,-0.5 -3,-0.1 -3,-0.1 -0.952 54.7-103.5-150.6 159.2 -9.5 7.7 31.3 172 209 A P S S+ 0 0 86 0, 0.0 3,-0.2 0, 0.0 -2,-0.0 0.823 122.1 37.6 -54.8 -34.9 -8.4 4.3 32.9 173 210 A Q S S+ 0 0 149 1,-0.2 2,-0.7 -3,-0.0 -3,-0.0 0.645 112.2 60.1 -91.1 -19.1 -10.8 4.8 35.8 174 211 A D S S+ 0 0 5 -3,-0.5 -3,-1.0 -5,-0.1 2,-0.2 -0.734 99.3 44.8-116.4 81.3 -13.6 6.4 33.9 175 212 A S S S+ 0 0 4 -2,-0.7 -10,-0.2 -3,-0.2 -11,-0.2 -0.794 89.8 41.3 164.9 162.9 -14.7 3.8 31.2 176 213 A L > + 0 0 6 -12,-2.2 4,-2.5 -2,-0.2 5,-0.3 0.796 61.4 155.2 50.1 41.1 -15.4 0.1 30.9 177 214 A Y H > S+ 0 0 2 -14,-2.4 4,-1.9 -12,-0.2 -14,-0.2 0.953 70.6 41.0 -63.3 -48.6 -17.3 -0.0 34.3 178 215 A G H > S+ 0 0 0 -16,-1.3 4,-2.7 1,-0.2 -1,-0.2 0.889 117.9 44.7 -70.9 -41.1 -19.4 -3.1 33.4 179 216 A S H > S+ 0 0 0 -17,-0.3 4,-2.5 2,-0.2 5,-0.3 0.884 111.9 51.5 -73.4 -36.3 -16.7 -5.2 31.7 180 217 A R H X S+ 0 0 74 -4,-2.5 4,-1.6 1,-0.2 -1,-0.2 0.934 115.4 44.5 -64.1 -43.4 -14.0 -4.5 34.3 181 218 A H H X S+ 0 0 43 -4,-1.9 4,-2.2 -5,-0.3 -2,-0.2 0.945 116.0 44.5 -61.3 -50.4 -16.5 -5.5 37.0 182 219 A L H X S+ 0 0 8 -4,-2.7 4,-3.2 2,-0.2 5,-0.3 0.879 110.2 53.5 -67.0 -38.4 -17.8 -8.6 35.2 183 220 A A H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.928 112.0 46.1 -62.3 -41.1 -14.4 -9.9 34.1 184 221 A A H X S+ 0 0 37 -4,-1.6 4,-1.0 -5,-0.3 -2,-0.2 0.901 113.8 49.2 -67.4 -38.6 -13.2 -9.7 37.7 185 222 A K H >< S+ 0 0 92 -4,-2.2 3,-0.6 1,-0.2 -2,-0.2 0.933 113.4 45.1 -67.0 -46.1 -16.4 -11.4 38.9 186 223 A M H >< S+ 0 0 11 -4,-3.2 3,-1.4 1,-0.2 14,-1.3 0.872 108.4 58.2 -65.5 -34.3 -16.1 -14.2 36.4 187 224 A A H 3< S+ 0 0 29 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.763 111.6 42.3 -64.8 -27.4 -12.4 -14.7 37.1 188 225 A S T << S+ 0 0 32 -4,-1.0 215,-1.8 -3,-0.6 -1,-0.3 0.143 95.4 93.5-107.7 19.4 -13.3 -15.3 40.8 189 226 A T S < S- 0 0 36 -3,-1.4 11,-1.6 213,-0.2 12,-0.2 -0.927 75.7-126.1-114.4 117.5 -16.3 -17.6 40.2 190 227 A P B -G 199 0C 12 0, 0.0 9,-0.3 0, 0.0 4,-0.1 -0.326 32.0-130.5 -60.8 142.6 -15.8 -21.3 40.1 191 228 A H S S+ 0 0 14 7,-2.4 6,-0.1 2,-0.1 11,-0.1 -0.974 80.1 24.6-150.9 135.1 -17.1 -23.0 37.0 192 229 A P S > S- 0 0 32 0, 0.0 3,-2.3 0, 0.0 6,-0.2 0.642 112.9 -86.9 -70.2 171.8 -18.8 -25.4 36.5 193 230 A P T 3 S+ 0 0 93 0, 0.0 -2,-0.1 0, 0.0 -4,-0.0 -0.202 117.2 23.5 -48.1 131.6 -20.5 -25.3 40.0 194 231 A G T 3 S+ 0 0 79 1,-0.3 218,-0.1 -4,-0.1 -3,-0.1 0.338 87.0 150.0 93.0 -7.9 -18.4 -27.2 42.5 195 232 A A < - 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0 0 63 1,-0.2 4,-0.1 2,-0.0 0, 0.0 -0.379 360.0-156.5 -60.0 137.4 -29.5 8.9 52.5 328 35 B A S > S+ 0 0 56 1,-0.2 3,-2.4 2,-0.1 4,-0.5 0.724 70.7 89.1 -92.6 -18.5 -29.1 9.6 56.1 329 36 B W G > S+ 0 0 14 1,-0.3 3,-1.3 2,-0.2 4,-0.4 0.772 73.5 66.9 -54.3 -29.8 -29.1 6.1 57.4 330 37 B P G 3 S+ 0 0 28 0, 0.0 -1,-0.3 0, 0.0 3,-0.2 0.731 101.3 54.0 -65.2 -11.9 -25.3 5.4 57.1 331 38 B E G X S+ 0 0 97 -3,-2.4 3,-2.0 1,-0.2 4,-0.5 0.673 82.7 87.5 -89.7 -19.4 -24.9 8.0 59.8 332 39 B E G X> S+ 0 0 62 -3,-1.3 3,-1.2 -4,-0.5 4,-1.0 0.783 73.3 70.1 -55.8 -32.0 -27.3 6.4 62.3 333 40 B K G 34 S+ 0 0 57 -4,-0.4 3,-0.3 1,-0.3 -1,-0.3 0.820 92.0 62.0 -55.3 -30.0 -24.6 4.1 63.8 334 41 B N G <4 S+ 0 0 103 -3,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.822 111.6 35.2 -66.6 -30.6 -23.0 7.3 65.3 335 42 B Y T <4 S+ 0 0 154 -3,-1.2 -1,-0.2 -4,-0.5 -2,-0.2 0.449 87.3 124.9-101.9 -4.6 -26.1 8.0 67.5 336 43 B H < - 0 0 25 -4,-1.0 -3,-0.0 -3,-0.3 308,-0.0 -0.364 37.5-173.5 -66.4 132.2 -27.1 4.5 68.2 337 44 B Q - 0 0 111 -2,-0.1 2,-0.1 307,-0.1 -2,-0.1 -0.913 23.5-111.3-123.1 151.2 -27.5 3.7 71.9 338 45 B P - 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0 0 12 -4,-0.8 2,-0.5 -3,-0.5 110,-0.1 -0.831 63.5-158.2-105.1 143.1 -28.0 -20.3 77.3 354 61 B S > - 0 0 35 -2,-0.4 4,-2.3 1,-0.1 5,-0.2 -0.917 9.9-170.5-123.8 107.0 -26.6 -23.9 77.7 355 62 B I H > S+ 0 0 18 -2,-0.5 4,-2.5 1,-0.2 5,-0.1 0.846 91.0 52.7 -63.8 -32.8 -22.9 -24.5 77.5 356 63 B S H > S+ 0 0 69 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.900 109.4 47.5 -72.2 -36.0 -23.3 -28.2 77.5 357 64 B E H >>S+ 0 0 82 2,-0.2 4,-2.8 1,-0.2 5,-0.5 0.899 113.2 49.4 -68.2 -40.7 -25.9 -28.1 74.6 358 65 B M H X>S+ 0 0 0 -4,-2.3 5,-2.9 1,-0.2 4,-2.2 0.942 110.3 51.9 -62.0 -45.2 -23.5 -25.8 72.7 359 66 B W H <>S+ 0 0 41 -4,-2.5 5,-2.8 3,-0.2 -2,-0.2 0.929 119.0 33.8 -57.1 -47.2 -20.6 -28.2 73.3 360 67 B Q H <5S+ 0 0 116 -4,-2.2 -2,-0.2 3,-0.2 -1,-0.2 0.913 129.1 30.1 -77.2 -42.2 -22.4 -31.2 72.1 361 68 B N H <5S+ 0 0 42 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.2 0.722 133.0 20.3 -95.1 -25.4 -24.6 -29.9 69.3 362 69 B D T <>4 - 0 0 57 64,-0.2 3,-2.2 1,-0.2 6,-0.4 -0.315 63.5 -64.9 -71.6 161.1 -9.1 -26.3 55.7 372 79 B P T 3 S+ 0 0 8 0, 0.0 -1,-0.2 0, 0.0 41,-0.1 -0.182 121.9 9.8 -52.1 129.6 -10.4 -24.9 52.4 373 80 B G T 3 S+ 0 0 66 1,-0.3 -2,-0.1 -3,-0.1 40,-0.1 0.329 98.4 123.1 86.3 -7.2 -11.5 -27.4 49.9 374 81 B S S <> S- 0 0 8 -3,-2.2 4,-1.4 1,-0.1 3,-0.4 -0.414 77.7-111.6 -82.1 161.9 -11.3 -30.4 52.3 375 82 B P H > S+ 0 0 116 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.862 119.7 59.1 -61.3 -33.2 -14.2 -32.7 53.1 376 83 B G H > S+ 0 0 11 -7,-0.3 4,-2.9 1,-0.2 5,-0.2 0.844 99.5 57.2 -64.2 -33.2 -14.2 -31.2 56.6 377 84 B S H > S+ 0 0 2 -6,-0.4 4,-2.4 -3,-0.4 -1,-0.2 0.950 110.4 42.3 -62.1 -48.1 -14.7 -27.7 55.1 378 85 B Y H X S+ 0 0 132 -4,-1.4 4,-2.8 1,-0.2 -2,-0.2 0.916 114.9 50.8 -65.6 -41.1 -17.9 -28.9 53.4 379 86 B A H X S+ 0 0 40 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.916 111.5 47.7 -62.3 -42.4 -19.1 -30.8 56.5 380 87 B A H X S+ 0 0 0 -4,-2.9 4,-2.5 2,-0.2 -2,-0.2 0.917 112.2 49.9 -65.1 -44.7 -18.5 -27.8 58.7 381 88 B R H X S+ 0 0 37 -4,-2.4 4,-2.7 -5,-0.2 -2,-0.2 0.934 111.7 48.0 -60.2 -45.7 -20.4 -25.5 56.3 382 89 B Q H X S+ 0 0 74 -4,-2.8 4,-3.0 2,-0.2 -2,-0.2 0.922 111.6 50.8 -60.6 -43.0 -23.3 -28.0 56.2 383 90 B H H X S+ 0 0 23 -4,-2.5 4,-2.5 2,-0.2 5,-0.2 0.928 111.6 46.9 -59.7 -49.2 -23.4 -28.2 60.0 384 91 B I H X S+ 0 0 0 -4,-2.5 4,-1.5 2,-0.2 -1,-0.2 0.940 113.8 48.5 -60.4 -45.4 -23.4 -24.4 60.3 385 92 B M H X S+ 0 0 44 -4,-2.7 4,-2.8 1,-0.2 -2,-0.2 0.927 112.9 47.3 -61.8 -44.3 -26.2 -24.2 57.7 386 93 B Q H X S+ 0 0 111 -4,-3.0 4,-1.5 1,-0.2 -1,-0.2 0.871 108.1 54.0 -67.6 -36.4 -28.3 -26.9 59.3 387 94 B R H < S+ 0 0 37 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.822 114.5 42.6 -69.7 -28.0 -28.0 -25.5 62.8 388 95 B I H >< S+ 0 0 2 -4,-1.5 3,-2.0 -5,-0.2 7,-0.2 0.925 109.3 56.5 -80.8 -42.9 -29.2 -22.1 61.6 389 96 B Q H 3< S+ 0 0 122 -4,-2.8 -2,-0.2 1,-0.3 -3,-0.2 0.753 99.1 61.5 -61.5 -24.7 -32.0 -23.5 59.3 390 97 B R T 3< S+ 0 0 147 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.1 0.590 86.8 96.6 -79.5 -6.9 -33.6 -25.4 62.2 391 98 B L S < S- 0 0 20 -3,-2.0 4,-0.1 -4,-0.1 74,-0.1 -0.387 75.8-130.1 -81.4 161.7 -34.3 -22.1 64.1 392 99 B Q S S+ 0 0 143 73,-0.1 -1,-0.1 -2,-0.1 77,-0.1 0.849 78.5 95.6 -79.3 -34.0 -37.6 -20.3 64.1 393 100 B A S S- 0 0 6 71,-0.2 2,-2.1 1,-0.1 79,-0.1 -0.208 91.5-103.4 -58.6 151.2 -36.2 -16.8 63.3 394 101 B D + 0 0 84 77,-0.2 27,-0.5 78,-0.1 -1,-0.1 -0.289 51.8 174.0 -79.5 58.4 -36.2 -15.9 59.6 395 102 B W - 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