==== 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 12-DEC-07 2ZEF . 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 . 646 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26529.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 428 66.3 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 . 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 . 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 . 53 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 70 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 174 26.9 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 . 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 . 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 0 134 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 101.4 -6.7 -32.6 36.7 2 34 A S - 0 0 87 1,-0.1 0, 0.0 2,-0.0 0, 0.0 -0.094 360.0-150.4 -55.7 142.2 -9.0 -32.3 33.6 3 35 A A > + 0 0 55 1,-0.2 3,-2.4 2,-0.1 4,-0.4 0.106 59.5 122.5 -96.9 21.5 -7.7 -30.5 30.5 4 36 A W G > + 0 0 16 1,-0.3 3,-1.8 2,-0.2 4,-0.4 0.842 64.1 62.5 -60.2 -30.5 -11.1 -29.3 29.5 5 37 A P G 3 S+ 0 0 27 0, 0.0 -1,-0.3 0, 0.0 3,-0.2 0.646 98.7 58.3 -70.2 -8.5 -10.1 -25.6 29.5 6 38 A E G X S+ 0 0 102 -3,-2.4 3,-1.6 1,-0.2 4,-0.5 0.564 80.3 88.6 -89.1 -10.5 -7.7 -26.5 26.6 7 39 A E G X> S+ 0 0 74 -3,-1.8 3,-1.8 -4,-0.4 4,-1.2 0.873 77.2 64.7 -55.2 -37.6 -10.5 -27.8 24.4 8 40 A K G 34 S+ 0 0 31 -4,-0.4 -1,-0.3 1,-0.3 3,-0.2 0.807 93.5 63.0 -58.2 -28.2 -11.1 -24.3 23.0 9 41 A N G <4 S+ 0 0 84 -3,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.773 113.8 31.1 -66.7 -24.9 -7.6 -24.5 21.5 10 42 A Y T <4 S+ 0 0 164 -3,-1.8 -1,-0.2 -4,-0.5 -2,-0.2 0.401 86.9 128.2-112.4 -3.3 -8.5 -27.5 19.2 11 43 A H < - 0 0 18 -4,-1.2 -3,-0.0 -3,-0.2 310,-0.0 -0.366 39.1-166.8 -59.6 128.5 -12.1 -26.7 18.7 12 44 A Q - 0 0 111 -2,-0.1 2,-0.1 309,-0.1 -2,-0.1 -0.870 20.2-111.5-117.4 152.7 -13.1 -26.8 15.0 13 45 A P - 0 0 24 0, 0.0 2,-0.8 0, 0.0 308,-0.2 -0.400 16.2-130.7 -77.6 158.9 -16.3 -25.5 13.3 14 46 A A - 0 0 39 306,-2.2 310,-0.1 305,-0.1 309,-0.1 -0.924 38.8-137.4-106.9 100.9 -18.8 -27.8 11.6 15 47 A I - 0 0 108 -2,-0.8 2,-0.2 1,-0.1 302,-0.0 -0.325 7.2-124.9 -72.5 134.8 -19.1 -25.9 8.3 16 48 A L - 0 0 20 -2,-0.1 -1,-0.1 300,-0.1 2,-0.1 -0.549 21.1-134.7 -77.7 138.5 -22.5 -25.3 6.7 17 49 A N > - 0 0 110 -2,-0.2 4,-2.3 1,-0.1 5,-0.2 -0.300 36.2 -88.2 -82.5 178.4 -23.0 -26.4 3.1 18 50 A S H > S+ 0 0 40 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.865 126.1 52.1 -55.9 -43.4 -24.7 -24.2 0.5 19 51 A S H > S+ 0 0 75 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.937 111.9 45.8 -61.3 -41.9 -28.2 -25.4 1.3 20 52 A A H > S+ 0 0 25 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.884 111.0 53.9 -67.8 -37.9 -27.8 -24.6 5.0 21 53 A L H X S+ 0 0 6 -4,-2.3 4,-2.7 1,-0.2 5,-0.2 0.938 108.2 49.3 -63.9 -43.1 -26.2 -21.2 4.1 22 54 A R H X S+ 0 0 121 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.924 109.6 53.5 -62.8 -38.0 -29.2 -20.3 2.0 23 55 A Q H X S+ 0 0 105 -4,-2.0 4,-1.5 -5,-0.2 -2,-0.2 0.948 109.9 45.5 -62.3 -42.6 -31.4 -21.4 4.8 24 56 A I H X S+ 0 0 8 -4,-2.5 4,-0.5 2,-0.2 3,-0.4 0.935 111.3 53.2 -67.0 -41.5 -29.7 -19.1 7.3 25 57 A A H >< S+ 0 0 5 -4,-2.7 3,-0.8 1,-0.2 -1,-0.2 0.935 113.3 44.0 -58.5 -43.4 -29.7 -16.2 4.8 26 58 A E H 3< S+ 0 0 156 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.738 106.1 63.3 -74.2 -18.3 -33.4 -16.6 4.4 27 59 A G H 3< S+ 0 0 37 -4,-1.5 2,-0.4 -3,-0.4 -1,-0.2 0.444 88.1 73.6 -90.6 0.4 -34.2 -17.0 8.1 28 60 A T << - 0 0 12 -3,-0.8 2,-0.5 -4,-0.5 110,-0.1 -0.905 65.0-155.8-111.4 145.9 -33.1 -13.6 9.4 29 61 A S > - 0 0 35 -2,-0.4 4,-2.4 1,-0.1 5,-0.2 -0.921 11.9-170.0-126.6 108.5 -35.2 -10.5 8.8 30 62 A I H > S+ 0 0 19 -2,-0.5 4,-2.5 1,-0.2 -1,-0.1 0.856 91.6 52.7 -65.3 -34.1 -33.5 -7.1 8.8 31 63 A S H > S+ 0 0 75 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.907 109.9 47.3 -70.1 -36.2 -36.9 -5.3 8.8 32 64 A E H >>S+ 0 0 85 2,-0.2 4,-2.9 1,-0.2 5,-0.5 0.924 113.3 48.8 -68.9 -41.0 -38.2 -7.3 11.8 33 65 A M H X>S+ 0 0 0 -4,-2.4 5,-2.8 3,-0.2 4,-2.4 0.952 110.3 53.3 -60.8 -44.5 -35.0 -6.6 13.7 34 66 A W H <>S+ 0 0 32 -4,-2.5 5,-2.4 -5,-0.2 -2,-0.2 0.932 118.6 32.6 -56.4 -49.4 -35.3 -2.9 12.8 35 67 A Q H <5S+ 0 0 113 -4,-2.2 -1,-0.2 3,-0.2 -2,-0.2 0.935 130.2 30.8 -75.9 -43.1 -38.8 -2.6 14.1 36 68 A N H <5S+ 0 0 41 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.771 131.8 20.7 -92.2 -28.6 -38.8 -5.0 17.0 37 69 A D T <>4 - 0 0 58 64,-0.3 3,-2.2 1,-0.2 6,-0.4 -0.337 62.2 -67.7 -68.6 159.0 -26.7 6.4 29.8 47 79 A P T 3 S+ 0 0 4 0, 0.0 -1,-0.2 0, 0.0 41,-0.1 -0.184 120.5 11.8 -54.7 134.3 -26.2 4.5 33.1 48 80 A G T 3 S+ 0 0 58 1,-0.3 -2,-0.1 -3,-0.1 40,-0.1 0.335 98.5 125.7 84.8 -4.9 -28.8 5.2 35.8 49 81 A S S <> S- 0 0 9 -3,-2.2 4,-1.6 1,-0.1 3,-0.4 -0.361 76.2-112.4 -84.9 165.8 -31.1 6.9 33.4 50 82 A P H > S+ 0 0 112 0, 0.0 4,-2.3 0, 0.0 5,-0.1 0.867 120.2 57.3 -61.7 -32.3 -34.8 6.0 32.8 51 83 A G H > S+ 0 0 12 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.819 99.6 57.8 -69.0 -29.6 -33.7 4.9 29.3 52 84 A S H > S+ 0 0 2 -3,-0.4 4,-2.5 -6,-0.4 -1,-0.2 0.952 108.3 46.1 -64.9 -44.6 -31.2 2.5 30.8 53 85 A Y H X S+ 0 0 134 -4,-1.6 4,-2.5 1,-0.2 5,-0.2 0.933 113.4 48.9 -62.0 -46.0 -34.0 0.8 32.7 54 86 A A H X S+ 0 0 47 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.892 111.7 49.2 -61.5 -40.7 -36.2 0.8 29.5 55 87 A A H X S+ 0 0 0 -4,-2.7 4,-2.6 2,-0.2 -1,-0.2 0.911 110.7 50.1 -66.0 -42.0 -33.4 -0.7 27.4 56 88 A R H X S+ 0 0 37 -4,-2.5 4,-2.7 -5,-0.2 5,-0.2 0.919 111.8 47.9 -63.7 -41.0 -32.7 -3.4 29.9 57 89 A Q H X S+ 0 0 57 -4,-2.5 4,-2.7 2,-0.2 -1,-0.2 0.899 111.4 50.9 -66.5 -39.9 -36.4 -4.4 30.1 58 90 A H H X S+ 0 0 21 -4,-2.1 4,-2.6 -5,-0.2 5,-0.2 0.947 111.2 47.2 -60.5 -49.7 -36.6 -4.5 26.4 59 91 A I H X S+ 0 0 0 -4,-2.6 4,-1.7 1,-0.2 -2,-0.2 0.949 115.3 45.9 -59.9 -44.5 -33.5 -6.7 26.1 60 92 A M H X S+ 0 0 28 -4,-2.7 4,-3.0 1,-0.2 -2,-0.2 0.917 113.1 49.7 -65.6 -41.8 -34.8 -9.0 28.8 61 93 A Q H X S+ 0 0 116 -4,-2.7 4,-1.5 1,-0.2 -1,-0.2 0.895 109.1 51.2 -63.8 -41.7 -38.4 -9.2 27.3 62 94 A R H < S+ 0 0 36 -4,-2.6 4,-0.3 -5,-0.2 -1,-0.2 0.851 114.6 43.4 -66.8 -32.2 -37.1 -9.9 23.8 63 95 A I H >< S+ 0 0 1 -4,-1.7 3,-1.8 -5,-0.2 7,-0.2 0.938 109.6 57.3 -77.2 -41.4 -35.0 -12.8 25.1 64 96 A Q H 3< S+ 0 0 127 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.748 98.0 60.8 -59.9 -29.4 -37.8 -14.1 27.4 65 97 A R T 3< S+ 0 0 150 -4,-1.5 -1,-0.3 -5,-0.1 -2,-0.2 0.640 87.0 99.5 -75.6 -10.7 -40.2 -14.5 24.6 66 98 A L S < S- 0 0 22 -3,-1.8 4,-0.1 -4,-0.3 74,-0.1 -0.300 75.2-130.5 -77.4 157.1 -38.0 -17.1 22.8 67 99 A Q S S+ 0 0 135 73,-0.1 -1,-0.1 2,-0.1 73,-0.1 0.867 79.1 95.6 -72.3 -38.9 -38.4 -20.8 23.0 68 100 A A S S- 0 0 6 71,-0.2 2,-2.0 1,-0.1 79,-0.1 -0.134 91.2-104.9 -55.8 152.7 -34.8 -21.6 23.8 69 101 A D + 0 0 80 77,-0.2 27,-0.4 78,-0.1 -1,-0.1 -0.262 50.9 174.8 -81.8 55.0 -34.0 -22.0 27.5 70 102 A W - 0 0 26 -2,-2.0 2,-0.6 -7,-0.2 25,-0.2 -0.384 19.9-152.5 -65.7 134.0 -32.3 -18.7 28.2 71 103 A V E -A 94 0A 54 23,-2.2 23,-2.7 -2,-0.1 2,-0.4 -0.945 13.3-154.3-109.1 116.5 -31.3 -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 -0.752 15.0 177.9 -96.5 132.9 -31.2 -14.2 32.5 73 105 A E E -A 92 0A 105 19,-2.6 19,-2.8 -2,-0.4 2,-0.6 -0.998 18.7-149.6-130.2 139.9 -29.1 -12.6 35.2 74 106 A I E -A 91 0A 63 -2,-0.4 2,-1.0 17,-0.2 17,-0.2 -0.951 10.2-157.0-109.7 119.8 -28.7 -8.9 36.1 75 107 A D E -A 90 0A 8 15,-2.5 15,-2.6 -2,-0.6 2,-0.4 -0.827 18.4-176.7-100.6 97.1 -25.3 -8.2 37.5 76 108 A T E +A 89 0A 59 -2,-1.0 2,-0.3 13,-0.3 13,-0.2 -0.820 11.3 149.8-103.2 134.4 -25.8 -5.0 39.5 77 109 A F E -A 88 0A 4 11,-2.4 11,-2.6 -2,-0.4 2,-0.3 -0.962 37.6-111.2-154.2 169.3 -22.9 -3.2 41.3 78 110 A L E +A 87 0A 12 435,-2.3 2,-0.3 -2,-0.3 9,-0.2 -0.778 28.9 173.6-106.3 147.1 -21.5 0.1 42.5 79 111 A S E -A 86 0A 27 7,-2.1 7,-2.4 -2,-0.3 2,-0.2 -0.981 35.2-111.0-146.1 155.0 -18.5 2.0 41.2 80 112 A Q + 0 0 111 -2,-0.3 5,-0.2 5,-0.2 442,-0.0 -0.562 44.1 174.2 -76.0 149.1 -16.9 5.4 41.9 81 113 A T > - 0 0 10 -2,-0.2 3,-2.3 3,-0.2 93,-0.1 -0.878 51.7 -87.4-147.6 173.1 -17.3 7.7 38.8 82 114 A P T 3 S+ 0 0 60 0, 0.0 3,-0.1 0, 0.0 92,-0.0 0.733 131.5 49.2 -59.7 -17.1 -16.6 11.4 38.1 83 115 A Y T 3 S- 0 0 138 1,-0.4 2,-0.1 0, 0.0 -3,-0.0 0.147 122.9 -99.7-106.7 15.5 -20.0 12.0 39.5 84 116 A G S < S- 0 0 26 -3,-2.3 -1,-0.4 2,-0.0 -3,-0.2 -0.428 73.2 -13.2 96.8-175.4 -19.6 10.0 42.7 85 117 A Y S S+ 0 0 127 -5,-0.2 2,-0.3 437,-0.2 -5,-0.2 -0.377 70.3 171.2 -64.5 134.7 -20.8 6.5 43.5 86 118 A R E -A 79 0A 61 -7,-2.4 -7,-2.1 -2,-0.1 2,-0.3 -0.959 29.3-117.3-140.3 162.7 -23.4 5.1 41.0 87 119 A S E -A 78 0A 25 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.776 26.2-173.8-103.5 145.4 -25.1 1.8 40.2 88 120 A F E -A 77 0A 1 -11,-2.6 -11,-2.4 -2,-0.3 2,-0.4 -0.947 9.7-154.1-135.6 155.1 -24.7 -0.2 37.0 89 121 A S E -A 76 0A 11 -2,-0.3 -13,-0.3 -13,-0.2 2,-0.2 -0.885 2.7-162.7-139.9 106.1 -26.4 -3.3 35.7 90 122 A N E -A 75 0A 0 -15,-2.6 -15,-2.5 -2,-0.4 2,-0.5 -0.536 16.6-139.5 -78.5 150.8 -24.9 -5.8 33.2 91 123 A I E -AB 74 160A 0 69,-2.7 69,-3.0 -17,-0.2 2,-0.5 -0.951 18.9-174.2-113.8 126.4 -27.3 -8.2 31.5 92 124 A I E -AB 73 159A 10 -19,-2.8 -19,-2.6 -2,-0.5 2,-0.5 -0.979 4.9-173.5-122.4 130.1 -26.2 -11.8 31.0 93 125 A S E -AB 72 158A 0 65,-2.9 65,-3.1 -2,-0.5 2,-0.4 -0.972 13.9-177.3-123.0 120.8 -28.3 -14.3 29.0 94 126 A T E -AB 71 157A 5 -23,-2.7 -23,-2.2 -2,-0.5 2,-0.4 -0.951 24.1-153.6-130.2 133.7 -27.0 -17.9 29.1 95 127 A L S S+ 0 0 3 61,-3.0 -25,-0.1 -2,-0.4 4,-0.1 -0.853 88.9 4.2 -94.6 136.3 -28.0 -21.2 27.5 96 128 A N S > S- 0 0 47 -2,-0.4 3,-1.9 -27,-0.4 -1,-0.2 0.970 72.1-165.2 55.6 67.0 -26.9 -24.2 29.6 97 129 A P T 3 S+ 0 0 60 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.777 85.9 48.4 -52.3 -35.4 -25.4 -22.3 32.7 98 130 A T T 3 S+ 0 0 98 94,-0.1 -2,-0.1 93,-0.1 -3,-0.0 0.588 80.6 114.5 -87.8 -6.2 -23.7 -25.4 33.9 99 131 A A S < S- 0 0 5 -3,-1.9 55,-0.1 1,-0.1 56,-0.1 -0.354 70.3-132.4 -58.6 139.5 -22.1 -26.3 30.6 100 132 A K S S+ 0 0 49 53,-0.1 2,-0.4 1,-0.1 54,-0.2 0.852 83.2 42.8 -66.4 -37.6 -18.4 -26.0 31.0 101 133 A R E -c 154 0A 9 52,-2.2 54,-2.3 103,-0.1 2,-0.4 -0.883 62.0-177.5-116.7 141.9 -17.7 -24.0 27.9 102 134 A H E -cd 155 204A 11 101,-2.6 103,-2.3 -2,-0.4 104,-0.7 -1.000 25.4-139.0-136.1 141.3 -19.5 -21.1 26.2 103 135 A L E -cd 156 206A 0 52,-2.6 54,-2.3 -2,-0.4 2,-0.5 -0.827 35.7-150.1 -84.1 134.3 -19.0 -19.1 23.1 104 136 A V E -cd 157 207A 0 102,-2.6 104,-3.3 -2,-0.5 2,-0.4 -0.944 18.8-172.3-119.5 124.6 -19.8 -15.5 24.2 105 137 A L E +cd 158 208A 0 52,-2.4 54,-2.4 -2,-0.5 2,-0.3 -0.935 22.3 168.0-105.6 143.2 -21.2 -12.7 22.1 106 138 A A E +cd 159 209A 0 102,-2.4 104,-3.0 -2,-0.4 2,-0.3 -0.975 19.4 161.3-153.1 163.7 -21.3 -9.3 23.7 107 139 A C E -c 160 0A 0 52,-1.5 54,-2.9 -2,-0.3 2,-0.4 -0.911 42.7 -95.8-164.5 175.3 -21.8 -5.5 23.2 108 140 A H E -c 161 0A 2 102,-0.3 24,-0.2 -2,-0.3 54,-0.2 -0.889 22.6-168.1-104.5 140.0 -22.5 -2.5 25.5 109 141 A Y + 0 0 0 52,-2.6 53,-0.2 -2,-0.4 -1,-0.1 0.544 59.4 94.2-102.3 -6.7 -26.1 -1.4 25.9 110 142 A D - 0 0 0 51,-0.9 2,-0.4 -55,-0.0 -64,-0.3 -0.458 67.0-140.7 -76.7 159.1 -25.4 2.0 27.6 111 143 A S - 0 0 0 -66,-0.8 17,-0.1 -2,-0.1 52,-0.1 -0.905 30.5 -93.8-115.4 150.3 -25.2 5.1 25.4 112 144 A K - 0 0 12 15,-0.4 2,-0.3 -2,-0.4 -66,-0.1 -0.373 43.2-111.4 -64.6 136.5 -22.6 7.9 26.2 113 145 A Y + 0 0 80 53,-0.4 2,-0.3 -68,-0.1 -1,-0.1 -0.517 46.1 160.3 -72.4 128.9 -23.9 10.7 28.3 114 146 A F - 0 0 60 -2,-0.3 8,-0.3 8,-0.1 3,-0.1 -0.970 41.3-119.7-144.3 133.5 -24.3 14.1 26.5 115 147 A S - 0 0 76 -2,-0.3 7,-0.0 1,-0.1 0, 0.0 -0.415 53.3 -85.0 -68.1 148.6 -26.4 17.0 27.7 116 148 A H - 0 0 108 5,-0.1 2,-0.5 1,-0.1 5,-0.2 -0.336 48.0-155.4 -57.8 138.7 -29.1 17.7 25.1 117 149 A W B > -F 120 0B 149 3,-2.0 3,-1.7 1,-0.2 -1,-0.1 -0.945 67.0 -23.7-127.2 114.5 -27.7 20.0 22.5 118 150 A N T 3 S- 0 0 118 -2,-0.5 -1,-0.2 1,-0.3 3,-0.1 0.912 125.8 -54.2 52.3 45.0 -29.9 22.2 20.4 119 151 A N T 3 S+ 0 0 163 1,-0.3 2,-0.3 -3,-0.1 -1,-0.3 0.594 111.1 125.4 67.3 12.7 -32.7 19.8 21.1 120 152 A R B < -F 117 0B 90 -3,-1.7 -3,-2.0 2,-0.0 2,-0.4 -0.798 44.2-157.6-101.7 150.7 -30.7 16.8 19.8 121 153 A V - 0 0 52 -2,-0.3 2,-0.5 -5,-0.2 -6,-0.1 -0.977 19.2-120.9-126.9 137.0 -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 -0.659 34.6 166.6 -80.9 122.0 -27.4 11.2 21.6 123 155 A V - 0 0 24 -2,-0.5 -80,-0.3 174,-0.4 6,-0.2 0.388 37.3-135.8-115.0 2.9 -28.7 7.7 21.0 124 156 A G > - 0 0 0 170,-0.2 5,-2.4 -82,-0.1 6,-0.3 0.924 27.7-179.4 45.8 62.2 -25.6 5.8 19.8 125 157 A A T >S+ 0 0 0 172,-2.2 5,-2.6 1,-0.2 3,-0.2 0.936 85.7 23.7 -62.0 -49.1 -27.1 4.0 16.9 126 158 A T T 5S+ 0 0 2 1,-0.2 87,-1.2 3,-0.2 86,-0.6 0.674 111.8 84.4 -84.8 -14.9 -23.9 2.2 15.9 127 159 A D T 5S- 0 0 2 85,-0.2 -15,-0.4 1,-0.2 -1,-0.2 -0.703 128.1 -55.2-127.8 80.1 -22.6 2.6 19.4 128 160 A S T >5S+ 0 0 0 -2,-0.4 4,-2.4 -3,-0.2 -1,-0.2 -0.690 118.0 96.2-131.8 51.5 -24.0 0.2 20.2 129 161 A A H > S+ 0 0 0 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.922 111.0 50.5 -51.1 -41.1 -24.9 -4.5 18.0 132 164 A C H X S+ 0 0 0 -4,-2.4 4,-2.3 -24,-0.2 -2,-0.2 0.941 112.4 46.4 -60.1 -46.9 -27.6 -5.0 20.7 133 165 A A H X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.2 -1,-0.2 0.857 108.8 54.8 -64.8 -35.9 -30.2 -5.6 18.0 134 166 A M H X S+ 0 0 3 -4,-2.9 4,-2.0 2,-0.2 -1,-0.2 0.873 109.1 48.3 -63.8 -39.3 -27.9 -7.9 16.0 135 167 A M H X S+ 0 0 0 -4,-2.0 4,-2.1 -5,-0.2 -2,-0.2 0.918 113.6 47.2 -68.2 -40.9 -27.5 -10.1 19.2 136 168 A L H X S+ 0 0 4 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.916 113.0 48.1 -65.8 -42.5 -31.3 -10.1 19.8 137 169 A E H X S+ 0 0 0 -4,-2.8 4,-3.4 2,-0.2 5,-0.2 0.862 109.4 53.8 -66.0 -34.5 -32.0 -10.9 16.1 138 170 A L H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.930 108.9 48.7 -67.5 -39.8 -29.5 -13.7 16.2 139 171 A A H < S+ 0 0 0 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.916 116.5 44.0 -64.9 -39.7 -31.2 -15.2 19.3 140 172 A R H >< S+ 0 0 66 -4,-2.3 3,-1.5 1,-0.2 4,-0.3 0.957 114.5 46.6 -68.8 -51.3 -34.5 -15.0 17.4 141 173 A A H 3< S+ 0 0 26 -4,-3.4 3,-0.2 1,-0.3 -2,-0.2 0.819 120.2 38.8 -62.3 -33.3 -33.4 -16.3 14.1 142 174 A L T 3X S+ 0 0 2 -4,-2.2 4,-3.1 -5,-0.2 5,-0.3 0.253 82.5 115.0 -99.9 13.4 -31.6 -19.2 15.5 143 175 A D H <> S+ 0 0 16 -3,-1.5 4,-2.6 1,-0.2 5,-0.2 0.891 74.8 48.4 -54.5 -46.5 -34.1 -20.0 18.2 144 176 A K H > S+ 0 0 178 -4,-0.3 4,-0.8 -3,-0.2 -1,-0.2 0.920 115.8 44.5 -62.2 -42.7 -35.2 -23.3 16.9 145 177 A K H >4 S+ 0 0 63 1,-0.2 3,-0.7 2,-0.2 4,-0.3 0.900 113.6 50.2 -65.9 -39.5 -31.7 -24.5 16.5 146 178 A L H >< S+ 0 0 2 -4,-3.1 3,-2.0 1,-0.2 4,-0.3 0.847 99.7 65.3 -68.4 -32.1 -30.7 -23.1 19.9 147 179 A L H >< S+ 0 0 57 -4,-2.6 3,-1.6 -5,-0.3 -1,-0.2 0.814 90.9 67.2 -57.5 -29.2 -33.7 -24.9 21.6 148 180 A S T << S+ 0 0 85 -4,-0.8 -1,-0.3 -3,-0.7 -2,-0.2 0.697 85.8 67.8 -68.1 -16.6 -31.9 -28.1 20.6 149 181 A L T < 0 0 36 -3,-2.0 -1,-0.3 -4,-0.3 -2,-0.2 0.595 360.0 360.0 -76.2 -10.3 -29.1 -27.4 23.1 150 182 A K < 0 0 162 -3,-1.6 -1,-0.2 -4,-0.3 -2,-0.2 0.984 360.0 360.0 -62.2 360.0 -31.6 -27.9 26.0 151 ! 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 0 143 0, 0.0 2,-2.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 77.2 -19.0 -31.0 23.1 153 190 A D + 0 0 65 -51,-0.0 -52,-2.2 -54,-0.0 2,-0.4 -0.428 360.0 126.3 -81.0 68.0 -20.1 -29.5 26.5 154 191 A L E + c 0 101A 13 -2,-2.2 -52,-0.2 -54,-0.2 2,-0.2 -0.982 28.4 155.6-136.8 131.5 -20.4 -26.1 24.8 155 192 A S E - 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0 0 5 1,-0.1 -53,-0.4 2,-0.1 4,-0.2 -0.475 14.5-138.3 -71.8 146.3 -16.8 7.4 30.0 167 204 A F S S+ 0 0 14 2,-0.2 -1,-0.1 -2,-0.1 3,-0.1 0.828 99.7 10.2 -72.7 -29.8 -19.0 9.9 31.8 168 205 A L S S- 0 0 85 1,-0.3 2,-0.3 6,-0.1 -2,-0.1 0.355 130.9 -38.9-111.9-119.2 -16.4 12.5 30.6 169 206 A H S S- 0 0 161 1,-0.1 -1,-0.3 -4,-0.1 -2,-0.2 -0.861 87.0 -71.9-108.0 153.5 -13.7 11.6 28.1 170 207 A W + 0 0 134 -2,-0.3 5,-0.2 -4,-0.2 -1,-0.1 -0.033 61.7 155.2 -45.5 136.0 -12.1 8.2 28.3 171 208 A S - 0 0 33 3,-1.1 3,-0.2 -3,-0.1 -3,-0.1 -0.941 55.2-102.1-152.0 160.7 -9.7 7.6 31.2 172 209 A P S S+ 0 0 71 0, 0.0 3,-0.2 0, 0.0 -2,-0.0 0.802 123.6 38.1 -56.8 -32.9 -8.7 4.2 32.9 173 210 A Q S S+ 0 0 137 1,-0.2 2,-0.7 -3,-0.0 -3,-0.1 0.655 113.8 57.3 -94.6 -18.2 -10.9 4.9 35.8 174 211 A D S S+ 0 0 7 -3,-0.2 -3,-1.1 -5,-0.1 2,-0.2 -0.700 101.7 45.2-116.4 80.8 -13.8 6.5 33.9 175 212 A S S S+ 0 0 4 -2,-0.7 -10,-0.2 -3,-0.2 -11,-0.2 -0.831 90.0 40.9 167.2 164.8 -14.8 3.8 31.3 176 213 A L > + 0 0 9 -12,-2.6 4,-2.5 -2,-0.2 5,-0.3 0.778 60.7 154.6 48.6 39.9 -15.5 0.1 31.0 177 214 A Y H > S+ 0 0 2 -14,-2.5 4,-1.8 -12,-0.2 -14,-0.2 0.945 70.9 40.8 -62.1 -50.9 -17.4 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 0.888 118.6 44.9 -69.3 -40.8 -19.5 -3.0 33.6 179 216 A S H > S+ 0 0 0 -17,-0.3 4,-2.4 2,-0.2 5,-0.3 0.857 111.0 51.5 -75.1 -35.4 -16.8 -5.1 31.8 180 217 A R H X S+ 0 0 86 -4,-2.5 4,-1.5 2,-0.2 -1,-0.2 0.939 116.0 44.6 -65.3 -40.6 -14.1 -4.4 34.4 181 218 A H H X S+ 0 0 42 -4,-1.8 4,-2.2 -5,-0.3 -2,-0.2 0.950 115.9 43.6 -65.1 -48.5 -16.6 -5.5 37.1 182 219 A L H X S+ 0 0 7 -4,-2.7 4,-3.1 1,-0.2 5,-0.2 0.889 110.8 54.4 -69.8 -38.0 -17.9 -8.6 35.3 183 220 A A H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.916 111.8 45.5 -59.7 -41.1 -14.5 -9.8 34.2 184 221 A A H X S+ 0 0 37 -4,-1.5 4,-1.0 -5,-0.3 -1,-0.2 0.905 113.4 49.8 -69.3 -37.9 -13.3 -9.7 37.8 185 222 A K H < S+ 0 0 92 -4,-2.2 3,-0.5 1,-0.2 -2,-0.2 0.916 113.3 45.6 -66.6 -44.4 -16.4 -11.4 39.0 186 223 A M H >< S+ 0 0 11 -4,-3.1 3,-1.4 1,-0.2 14,-1.2 0.879 108.2 57.1 -67.7 -34.3 -16.1 -14.2 36.4 187 224 A A H 3< S+ 0 0 34 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.746 112.1 43.0 -67.7 -23.6 -12.4 -14.7 37.1 188 225 A S T 3< S+ 0 0 33 -4,-1.0 215,-1.9 -3,-0.5 -1,-0.3 0.166 95.1 91.4-108.4 18.6 -13.3 -15.3 40.8 189 226 A T S < S- 0 0 34 -3,-1.4 11,-1.8 213,-0.2 12,-0.2 -0.945 76.1-126.1-116.3 118.3 -16.3 -17.6 40.3 190 227 A P B -G 199 0C 12 0, 0.0 9,-0.3 0, 0.0 4,-0.1 -0.312 32.2-131.8 -61.1 144.9 -15.7 -21.3 40.1 191 228 A H S S+ 0 0 14 7,-2.2 6,-0.1 2,-0.1 11,-0.1 -0.962 80.4 27.5-154.6 137.3 -17.0 -23.1 37.1 192 229 A P S > S- 0 0 33 0, 0.0 3,-2.2 0, 0.0 6,-0.2 0.641 113.5 -87.7 -69.2 169.7 -18.6 -25.5 36.6 193 230 A P T 3 S+ 0 0 96 0, 0.0 -2,-0.1 0, 0.0 -4,-0.0 -0.179 117.0 22.9 -45.5 134.2 -20.4 -25.3 40.0 194 231 A G T 3 S+ 0 0 77 1,-0.3 218,-0.1 -4,-0.1 -3,-0.1 0.331 87.4 149.8 87.9 -7.0 -18.3 -27.2 42.6 195 232 A A < - 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