==== 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 2ZEN . 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 . 644 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26432.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 426 66.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 48 7.5 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 . 52 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 73 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 174 27.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 2.2 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 0 132 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 103.8 -6.8 -32.7 36.7 2 34 A S - 0 0 88 1,-0.1 0, 0.0 2,-0.0 0, 0.0 -0.142 360.0-151.1 -55.0 143.3 -9.1 -32.3 33.6 3 35 A A > + 0 0 54 1,-0.2 3,-2.2 2,-0.1 4,-0.4 0.092 58.2 123.0-100.6 23.1 -7.7 -30.6 30.5 4 36 A W G > + 0 0 17 1,-0.3 3,-1.8 2,-0.2 4,-0.4 0.831 63.1 64.4 -59.9 -30.7 -11.2 -29.3 29.5 5 37 A P G 3 S+ 0 0 28 0, 0.0 -1,-0.3 0, 0.0 3,-0.2 0.655 98.1 58.3 -67.1 -9.7 -10.2 -25.7 29.4 6 38 A E G X S+ 0 0 100 -3,-2.2 3,-1.5 1,-0.2 4,-0.5 0.566 79.4 88.9 -90.5 -10.3 -7.8 -26.6 26.6 7 39 A E G X> S+ 0 0 74 -3,-1.8 3,-1.7 -4,-0.4 4,-1.2 0.866 77.2 64.7 -55.4 -37.3 -10.6 -27.9 24.4 8 40 A K G 34 S+ 0 0 31 -4,-0.4 -1,-0.3 1,-0.3 3,-0.2 0.825 93.4 63.0 -56.9 -28.6 -11.2 -24.4 22.9 9 41 A N G <4 S+ 0 0 84 -3,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.761 114.1 31.2 -67.3 -26.0 -7.7 -24.6 21.4 10 42 A Y T <4 S+ 0 0 163 -3,-1.7 -1,-0.2 -4,-0.5 -2,-0.2 0.405 86.8 128.0-110.1 -7.0 -8.6 -27.6 19.2 11 43 A H < - 0 0 15 -4,-1.2 -3,-0.0 -3,-0.2 310,-0.0 -0.357 39.2-166.6 -56.9 130.7 -12.3 -26.8 18.6 12 44 A Q - 0 0 115 -2,-0.1 2,-0.1 309,-0.1 -2,-0.1 -0.868 20.1-112.2-119.7 152.6 -13.2 -26.9 14.9 13 45 A P - 0 0 23 0, 0.0 2,-0.8 0, 0.0 308,-0.2 -0.406 16.5-129.8 -80.4 159.8 -16.4 -25.6 13.3 14 46 A A - 0 0 39 306,-2.1 310,-0.1 305,-0.1 309,-0.1 -0.911 37.9-136.0-106.1 97.9 -19.0 -27.9 11.7 15 47 A I - 0 0 109 -2,-0.8 2,-0.2 1,-0.1 302,-0.0 -0.288 7.3-127.6 -67.0 133.1 -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 -0.564 20.8-134.4 -77.0 140.4 -22.7 -25.5 6.7 17 49 A N > - 0 0 110 -2,-0.2 4,-2.3 1,-0.1 5,-0.2 -0.311 35.4 -88.4 -83.9 177.7 -23.3 -26.6 3.1 18 50 A S H > S+ 0 0 42 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.865 125.7 52.6 -54.3 -44.5 -25.0 -24.3 0.4 19 51 A S H > S+ 0 0 81 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.939 112.4 45.9 -62.0 -42.3 -28.5 -25.5 1.2 20 52 A A H > S+ 0 0 28 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.893 109.1 55.2 -67.3 -36.9 -28.0 -24.7 4.9 21 53 A L H X S+ 0 0 7 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.926 107.6 50.1 -63.1 -40.1 -26.4 -21.3 4.1 22 54 A R H X S+ 0 0 120 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.906 108.5 53.5 -64.2 -37.9 -29.5 -20.3 2.0 23 55 A Q H X S+ 0 0 115 -4,-1.8 4,-1.5 -5,-0.2 -2,-0.2 0.948 110.2 46.1 -61.7 -44.3 -31.7 -21.3 4.9 24 56 A I H X S+ 0 0 7 -4,-2.3 4,-0.5 2,-0.2 3,-0.4 0.938 111.4 52.2 -64.5 -45.2 -29.9 -19.1 7.3 25 57 A A H >< S+ 0 0 6 -4,-2.6 3,-0.8 1,-0.3 -1,-0.2 0.921 114.1 43.7 -57.1 -43.7 -29.9 -16.2 4.9 26 58 A E H 3< S+ 0 0 156 -4,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.724 105.5 64.8 -73.7 -20.3 -33.6 -16.5 4.4 27 59 A G H 3< S+ 0 0 37 -4,-1.5 2,-0.4 -3,-0.4 -1,-0.2 0.496 87.9 73.6 -85.9 -2.4 -34.3 -17.0 8.2 28 60 A T << - 0 0 11 -3,-0.8 2,-0.5 -4,-0.5 110,-0.1 -0.882 65.0-156.2-111.0 143.5 -33.2 -13.6 9.4 29 61 A S > - 0 0 33 -2,-0.4 4,-2.5 1,-0.1 5,-0.2 -0.916 11.0-170.2-124.7 107.1 -35.3 -10.5 8.8 30 62 A I H > S+ 0 0 17 -2,-0.5 4,-2.5 1,-0.2 -1,-0.1 0.881 91.1 52.2 -64.4 -35.1 -33.6 -7.1 8.8 31 63 A S H > S+ 0 0 73 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.912 110.2 47.8 -68.7 -39.3 -37.0 -5.3 8.8 32 64 A E H > S+ 0 0 85 2,-0.2 4,-2.7 1,-0.2 5,-0.5 0.926 112.9 48.8 -65.4 -43.2 -38.3 -7.2 11.8 33 65 A M H X>S+ 0 0 0 -4,-2.5 5,-2.7 1,-0.2 4,-2.4 0.946 110.1 53.4 -57.9 -46.5 -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 0.921 118.2 33.2 -54.9 -48.2 -35.3 -2.9 12.8 35 67 A Q H <5S+ 0 0 111 -4,-2.2 -1,-0.2 3,-0.2 -2,-0.2 0.928 129.2 31.2 -78.6 -43.5 -38.8 -2.5 14.2 36 68 A N H <5S+ 0 0 40 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.2 0.741 132.1 20.9 -92.4 -24.8 -38.9 -4.9 17.1 37 69 A D T <5S+ 0 0 2 -4,-2.4 4,-0.3 -5,-0.5 -3,-0.2 0.774 125.5 37.1-112.5 -39.9 -35.3 -4.9 18.4 38 70 A L T >>4 - 0 0 57 64,-0.3 3,-2.2 1,-0.2 6,-0.4 -0.354 62.1 -65.4 -70.4 160.0 -26.7 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 -0.150 121.0 9.3 -53.6 132.6 -26.1 4.6 33.2 48 80 A G T 3 S+ 0 0 22 1,-0.3 -2,-0.1 -3,-0.1 40,-0.1 0.380 98.9 125.9 83.3 -3.3 -28.7 5.1 35.8 49 81 A S S <> S- 0 0 7 -3,-2.2 4,-1.6 1,-0.1 3,-0.4 -0.358 76.1-109.8 -86.1 167.5 -31.1 7.0 33.5 50 82 A P H > S+ 0 0 113 0, 0.0 4,-2.3 0, 0.0 5,-0.1 0.879 120.8 55.6 -61.8 -33.9 -34.8 6.1 32.8 51 83 A G H > S+ 0 0 12 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.819 100.6 57.9 -68.5 -28.3 -33.7 4.9 29.3 52 84 A S H > S+ 0 0 2 -3,-0.4 4,-2.6 -6,-0.4 -1,-0.2 0.944 108.6 46.3 -63.9 -45.7 -31.2 2.5 30.8 53 85 A Y H X S+ 0 0 136 -4,-1.6 4,-2.4 1,-0.2 -2,-0.2 0.943 113.9 48.2 -61.2 -46.5 -34.0 0.9 32.7 54 86 A A H X S+ 0 0 48 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.878 111.2 50.5 -63.3 -38.8 -36.2 0.8 29.6 55 87 A A H X S+ 0 0 0 -4,-3.0 4,-2.7 1,-0.2 -1,-0.2 0.940 110.7 49.0 -65.6 -44.6 -33.4 -0.6 27.5 56 88 A R H X S+ 0 0 37 -4,-2.6 4,-2.6 1,-0.2 5,-0.2 0.921 111.3 48.8 -60.6 -42.6 -32.7 -3.4 30.0 57 89 A Q H X S+ 0 0 58 -4,-2.4 4,-2.7 1,-0.2 5,-0.2 0.920 111.8 51.1 -65.2 -39.1 -36.4 -4.3 30.2 58 90 A H H X S+ 0 0 21 -4,-2.1 4,-2.4 -5,-0.2 5,-0.2 0.941 110.4 47.5 -61.9 -48.9 -36.6 -4.4 26.4 59 91 A I H X S+ 0 0 0 -4,-2.7 4,-1.7 1,-0.2 5,-0.2 0.951 115.3 45.6 -59.1 -46.2 -33.6 -6.7 26.1 60 92 A M H X S+ 0 0 30 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.905 112.8 50.1 -65.5 -40.3 -34.9 -9.1 28.8 61 93 A Q H X S+ 0 0 116 -4,-2.7 4,-1.7 -5,-0.2 -1,-0.2 0.908 109.5 50.6 -65.2 -42.3 -38.4 -9.1 27.3 62 94 A R H < S+ 0 0 36 -4,-2.4 4,-0.2 -5,-0.2 -1,-0.2 0.849 115.0 43.6 -66.9 -31.9 -37.2 -9.9 23.8 63 95 A I H >< S+ 0 0 2 -4,-1.7 3,-1.6 -5,-0.2 7,-0.2 0.923 110.1 56.7 -77.0 -40.8 -35.1 -12.8 25.1 64 96 A Q H 3< S+ 0 0 129 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.787 97.9 60.8 -60.8 -30.7 -37.8 -14.1 27.4 65 97 A R T 3< S+ 0 0 148 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.1 0.629 87.6 98.3 -74.3 -9.3 -40.4 -14.5 24.6 66 98 A L S < S- 0 0 21 -3,-1.6 4,-0.1 -4,-0.2 74,-0.1 -0.358 75.4-130.4 -79.8 157.2 -38.1 -17.0 22.8 67 99 A Q S S+ 0 0 136 73,-0.1 -1,-0.1 2,-0.1 73,-0.0 0.855 78.6 95.1 -73.6 -38.0 -38.5 -20.8 23.0 68 100 A A S S- 0 0 6 71,-0.2 2,-1.9 1,-0.1 79,-0.1 -0.179 91.2-105.2 -56.0 153.5 -34.8 -21.6 23.9 69 101 A D + 0 0 85 77,-0.2 27,-0.5 78,-0.1 -1,-0.1 -0.341 50.4 175.0 -83.1 58.4 -34.1 -22.0 27.6 70 102 A W - 0 0 26 -2,-1.9 2,-0.6 -7,-0.2 25,-0.2 -0.411 20.0-152.1 -68.3 136.7 -32.3 -18.7 28.2 71 103 A V E -A 94 0A 54 23,-2.4 23,-2.5 -2,-0.1 2,-0.4 -0.956 13.8-153.8-110.5 115.3 -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 14.8 179.1 -93.3 136.0 -31.3 -14.2 32.5 73 105 A E E -A 92 0A 105 19,-2.5 19,-2.9 -2,-0.4 2,-0.6 -0.999 18.4-149.0-135.3 136.3 -29.1 -12.6 35.2 74 106 A I E -A 91 0A 66 -2,-0.4 2,-0.9 17,-0.2 17,-0.2 -0.941 8.9-158.2-105.5 119.2 -28.7 -9.0 36.1 75 107 A D E -A 90 0A 8 15,-2.5 15,-2.8 -2,-0.6 2,-0.4 -0.857 18.6-177.4-100.5 96.2 -25.2 -8.2 37.5 76 108 A T E +A 89 0A 59 -2,-0.9 2,-0.3 13,-0.3 13,-0.2 -0.830 10.7 151.5-100.8 133.9 -25.7 -5.0 39.5 77 109 A F E -A 88 0A 3 11,-2.4 11,-2.7 -2,-0.4 2,-0.3 -0.962 37.2-112.5-152.6 170.0 -22.9 -3.2 41.2 78 110 A L E +A 87 0A 11 435,-2.3 2,-0.3 -2,-0.3 9,-0.2 -0.786 29.0 174.8-106.8 149.2 -21.5 0.1 42.4 79 111 A S E -A 86 0A 29 7,-2.2 7,-2.5 -2,-0.3 2,-0.2 -0.986 34.8-110.7-147.9 153.0 -18.5 2.0 41.2 80 112 A Q + 0 0 110 -2,-0.3 5,-0.2 5,-0.2 442,-0.0 -0.578 43.9 175.1 -75.5 147.0 -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 -0.891 50.8 -90.0-144.6 172.6 -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 0.708 130.9 48.8 -60.9 -16.7 -16.5 11.4 38.1 83 115 A Y T 3 S- 0 0 135 1,-0.5 2,-0.1 0, 0.0 -3,-0.0 0.142 124.0 -98.1-106.6 15.0 -20.0 12.1 39.4 84 116 A G S < S- 0 0 26 -3,-2.4 -1,-0.5 2,-0.1 -3,-0.2 -0.436 72.5 -14.4 99.1-175.0 -19.7 10.0 42.6 85 117 A Y S S+ 0 0 126 -5,-0.2 2,-0.3 437,-0.2 -5,-0.2 -0.413 70.2 174.4 -66.8 135.6 -20.8 6.5 43.4 86 118 A R E -A 79 0A 57 -7,-2.5 -7,-2.2 -2,-0.1 2,-0.3 -0.958 28.2-118.0-139.8 162.2 -23.3 5.1 40.9 87 119 A S E -A 78 0A 25 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.766 27.1-176.1-102.4 141.0 -25.1 1.8 40.2 88 120 A F E -A 77 0A 1 -11,-2.7 -11,-2.4 -2,-0.3 2,-0.4 -0.946 10.7-155.3-133.2 155.4 -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 -0.895 1.6-162.0-139.1 104.7 -26.3 -3.4 35.7 90 122 A N E -A 75 0A 0 -15,-2.8 -15,-2.5 -2,-0.4 2,-0.5 -0.590 17.9-139.5 -77.5 148.6 -24.8 -5.8 33.2 91 123 A I E -AB 74 160A 0 69,-2.7 69,-3.0 -2,-0.2 2,-0.5 -0.941 19.1-172.7-110.2 127.5 -27.3 -8.1 31.5 92 124 A I E -AB 73 159A 12 -19,-2.9 -19,-2.5 -2,-0.5 2,-0.5 -0.981 5.1-172.7-122.1 129.1 -26.2 -11.8 31.0 93 125 A S E -AB 72 158A 0 65,-2.9 65,-3.2 -2,-0.5 2,-0.4 -0.970 13.5-177.6-121.1 118.6 -28.3 -14.3 29.0 94 126 A T E -AB 71 157A 3 -23,-2.5 -23,-2.4 -2,-0.5 2,-0.4 -0.946 24.3-154.4-127.4 137.0 -27.1 -17.9 29.1 95 127 A L S S+ 0 0 2 61,-2.8 -25,-0.1 -2,-0.4 4,-0.1 -0.871 90.1 4.5 -97.2 135.2 -28.1 -21.2 27.5 96 128 A N S > S- 0 0 47 -27,-0.5 3,-1.9 -2,-0.4 -1,-0.2 0.962 72.1-165.4 55.3 64.8 -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 0.767 86.4 48.1 -49.8 -34.8 -25.5 -22.3 32.7 98 130 A T T 3 S+ 0 0 96 94,-0.1 -2,-0.1 93,-0.1 -3,-0.0 0.598 80.7 113.1 -89.7 -7.6 -23.7 -25.4 33.9 99 131 A A S < S- 0 0 4 -3,-1.9 55,-0.1 1,-0.1 56,-0.1 -0.305 71.5-130.7 -56.7 145.5 -22.2 -26.4 30.6 100 132 A K S S+ 0 0 47 53,-0.2 2,-0.3 1,-0.1 54,-0.2 0.867 83.4 41.5 -71.3 -38.3 -18.5 -26.0 31.0 101 133 A R E -c 154 0A 7 52,-2.2 54,-2.3 103,-0.1 2,-0.4 -0.872 61.5-178.1-115.9 144.2 -17.8 -24.0 27.8 102 134 A H E -cd 155 204A 11 101,-2.3 103,-2.2 -2,-0.3 104,-0.7 -1.000 25.6-138.1-139.0 141.8 -19.6 -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 -0.820 35.7-150.6 -86.0 134.6 -19.1 -19.1 23.0 104 136 A V E -cd 157 207A 0 102,-2.6 104,-3.1 -2,-0.5 2,-0.4 -0.949 18.0-170.0-119.8 128.6 -19.9 -15.6 24.2 105 137 A L E +cd 158 208A 0 52,-2.5 54,-2.4 -2,-0.5 2,-0.3 -0.931 22.0 174.4-108.1 141.1 -21.3 -12.7 22.0 106 138 A A E +cd 159 209A 0 102,-2.6 104,-2.8 -2,-0.4 2,-0.3 -0.965 19.9 158.1-148.0 160.5 -21.2 -9.3 23.6 107 139 A C E -c 160 0A 0 52,-1.5 54,-3.0 -2,-0.3 2,-0.4 -0.886 41.3-102.1-160.2 177.5 -21.9 -5.5 23.2 108 140 A H E -c 161 0A 1 102,-0.3 24,-0.2 -2,-0.3 54,-0.2 -0.932 20.2-165.6-111.6 142.8 -22.6 -2.6 25.5 109 141 A Y + 0 0 0 52,-2.7 53,-0.2 -2,-0.4 2,-0.1 0.499 58.5 94.9-104.6 -5.4 -26.1 -1.3 25.9 110 142 A D - 0 0 0 51,-0.8 2,-0.3 -55,-0.0 -64,-0.3 -0.448 65.4-140.1 -77.5 161.9 -25.5 2.0 27.6 111 143 A S - 0 0 0 -66,-0.8 17,-0.1 -2,-0.1 2,-0.1 -0.910 30.9 -93.5-118.5 151.0 -25.2 5.2 25.5 112 144 A K - 0 0 12 15,-0.4 2,-0.3 -2,-0.3 -66,-0.1 -0.379 43.4-112.7 -64.8 134.8 -22.7 7.9 26.2 113 145 A Y + 0 0 78 53,-0.4 2,-0.3 -2,-0.1 -1,-0.1 -0.521 46.3 158.3 -70.8 130.1 -23.9 10.7 28.4 114 146 A F - 0 0 65 -2,-0.3 8,-0.2 8,-0.1 2,-0.1 -0.983 42.4-118.9-144.5 140.8 -24.3 14.1 26.7 115 147 A S - 0 0 78 -2,-0.3 5,-0.1 1,-0.1 7,-0.0 -0.524 53.7 -84.7 -73.2 154.2 -26.5 17.0 27.9 116 148 A H - 0 0 108 -2,-0.1 2,-0.5 5,-0.1 5,-0.2 -0.362 47.2-157.3 -62.3 138.7 -29.1 17.8 25.1 117 149 A W B > -F 120 0B 150 3,-1.9 3,-1.8 1,-0.2 -1,-0.1 -0.954 67.5 -22.1-127.5 114.8 -27.7 20.1 22.6 118 150 A N T 3 S- 0 0 113 -2,-0.5 -1,-0.2 1,-0.3 3,-0.1 0.907 126.1 -54.0 54.1 46.0 -29.9 22.2 20.4 119 151 A N T 3 S+ 0 0 169 1,-0.2 2,-0.3 -3,-0.1 -1,-0.3 0.564 110.7 127.8 66.7 11.2 -32.7 19.8 21.1 120 152 A R B < -F 117 0B 90 -3,-1.8 -3,-1.9 -5,-0.1 2,-0.4 -0.781 42.6-159.5 -99.2 147.2 -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 -0.970 19.3-122.3-125.0 136.7 -30.1 13.8 22.0 122 154 A F + 0 0 5 -2,-0.4 -77,-0.3 -8,-0.2 -8,-0.1 -0.673 34.2 166.1 -82.0 122.8 -27.3 11.2 21.7 123 155 A V - 0 0 24 -2,-0.5 -80,-0.2 174,-0.4 6,-0.2 0.402 36.4-136.9-115.9 3.9 -28.6 7.7 21.0 124 156 A G > - 0 0 0 170,-0.2 5,-2.0 1,-0.1 6,-0.2 0.911 27.2-179.9 42.1 62.5 -25.4 5.9 19.9 125 157 A A T >S+ 0 0 0 172,-2.1 5,-2.5 1,-0.2 3,-0.2 0.923 84.8 25.4 -59.9 -49.2 -27.0 4.0 17.0 126 158 A T T 5S+ 0 0 2 1,-0.2 87,-1.0 3,-0.2 86,-0.5 0.697 110.6 84.4 -83.1 -18.1 -23.8 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 -0.688 128.0 -56.2-123.4 75.7 -22.4 2.5 19.4 128 160 A S T >5S+ 0 0 0 -2,-0.5 4,-2.4 -3,-0.2 -1,-0.2 -0.673 117.4 96.6-135.6 49.1 -23.9 0.1 20.2 129 161 A A H > S+ 0 0 0 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.943 112.5 49.8 -51.0 -43.9 -24.8 -4.5 17.9 132 164 A C H X S+ 0 0 0 -4,-2.4 4,-2.1 -24,-0.2 -2,-0.2 0.951 111.7 47.3 -58.4 -50.4 -27.5 -5.1 20.7 133 165 A A H X S+ 0 0 0 -4,-2.8 4,-2.6 1,-0.2 -1,-0.2 0.868 108.8 55.8 -60.0 -36.0 -30.2 -5.5 18.1 134 166 A M H X S+ 0 0 3 -4,-2.9 4,-2.1 2,-0.2 -1,-0.2 0.874 107.0 49.3 -65.7 -37.3 -28.0 -7.9 16.1 135 167 A M H X S+ 0 0 0 -4,-1.9 4,-2.3 -5,-0.2 -1,-0.2 0.922 113.3 46.6 -67.5 -40.8 -27.6 -10.1 19.2 136 168 A L H X S+ 0 0 4 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.892 112.7 49.0 -68.1 -37.9 -31.4 -10.1 19.8 137 169 A E H X S+ 0 0 0 -4,-2.6 4,-3.5 2,-0.2 5,-0.2 0.877 110.2 52.0 -69.3 -35.1 -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 0.934 109.4 49.1 -65.6 -45.8 -29.6 -13.7 16.2 139 171 A A H < S+ 0 0 0 -4,-2.3 4,-0.3 2,-0.2 -2,-0.2 0.932 116.3 43.9 -58.8 -44.0 -31.3 -15.2 19.3 140 172 A R H >< S+ 0 0 67 -4,-2.4 3,-1.5 1,-0.2 4,-0.3 0.977 114.6 47.2 -65.1 -53.4 -34.7 -14.9 17.5 141 173 A A H 3< S+ 0 0 26 -4,-3.5 3,-0.2 1,-0.3 -2,-0.2 0.828 120.2 38.2 -59.4 -33.6 -33.6 -16.2 14.1 142 174 A L T 3X S+ 0 0 3 -4,-2.4 4,-3.1 -5,-0.2 3,-0.4 0.333 82.4 114.4 -99.6 10.5 -31.8 -19.2 15.5 143 175 A D H <> S+ 0 0 14 -3,-1.5 4,-2.5 -4,-0.3 5,-0.2 0.879 75.2 49.9 -52.1 -46.2 -34.3 -19.9 18.3 144 176 A K H > S+ 0 0 174 -4,-0.3 4,-0.7 -3,-0.2 -1,-0.3 0.909 115.2 43.4 -62.0 -42.1 -35.4 -23.3 16.9 145 177 A K H >4 S+ 0 0 63 -3,-0.4 3,-0.7 1,-0.2 -1,-0.2 0.885 113.5 51.2 -68.9 -37.8 -31.8 -24.5 16.5 146 178 A L H >< S+ 0 0 2 -4,-3.1 3,-2.0 1,-0.2 4,-0.2 0.835 98.5 66.6 -69.2 -30.4 -30.8 -23.1 19.9 147 179 A L H >< S+ 0 0 55 -4,-2.5 3,-1.7 -5,-0.3 -1,-0.2 0.823 89.8 67.5 -57.9 -29.0 -33.8 -24.9 21.5 148 180 A S T << S+ 0 0 85 -3,-0.7 -1,-0.3 -4,-0.7 -2,-0.2 0.701 86.0 67.6 -68.7 -15.4 -32.0 -28.1 20.6 149 181 A L T < 0 0 37 -3,-2.0 -1,-0.3 -4,-0.2 -2,-0.2 0.578 360.0 360.0 -77.7 -10.4 -29.3 -27.4 23.1 150 182 A K < 0 0 171 -3,-1.7 -1,-0.2 -4,-0.2 -2,-0.2 0.977 360.0 360.0 -64.5 360.0 -31.8 -27.8 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 0 120 0, 0.0 2,-2.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 107.7 -18.6 -30.8 23.4 153 190 A D + 0 0 66 -51,-0.0 -52,-2.2 2,-0.0 2,-0.4 -0.606 360.0 135.6 -80.8 73.1 -20.2 -29.5 26.7 154 191 A L E + c 0 101A 14 -2,-2.2 -52,-0.2 -54,-0.2 2,-0.2 -0.988 23.7 153.5-133.6 131.0 -20.5 -26.2 24.8 155 192 A S E - 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0 0 71 1,-0.1 4,-0.1 2,-0.0 0, 0.0 -0.424 360.0-145.9 -68.9 148.8 -29.5 9.0 52.5 328 35 B A S >> S+ 0 0 60 1,-0.2 3,-2.1 2,-0.1 4,-0.6 0.734 79.1 86.8 -90.5 -20.4 -29.2 9.6 56.2 329 36 B W G >4 S+ 0 0 11 1,-0.3 3,-1.2 2,-0.2 4,-0.4 0.801 75.8 64.5 -54.2 -34.6 -29.2 6.0 57.3 330 37 B P G 34 S+ 0 0 31 0, 0.0 3,-0.3 0, 0.0 -1,-0.3 0.739 102.4 54.5 -63.4 -13.9 -25.5 5.4 57.1 331 38 B E G X> S+ 0 0 97 -3,-2.1 3,-2.3 1,-0.2 4,-0.5 0.726 82.3 87.2 -85.4 -25.3 -25.1 7.9 59.8 332 39 B E H XX S+ 0 0 67 -3,-1.2 3,-1.0 -4,-0.6 4,-0.8 0.758 75.2 68.4 -50.1 -31.0 -27.5 6.3 62.3 333 40 B K H 34 S+ 0 0 55 -4,-0.4 3,-0.4 -3,-0.3 -1,-0.3 0.811 92.2 62.4 -60.4 -28.5 -24.7 4.1 63.8 334 41 B N H <4 S+ 0 0 100 -3,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.841 112.6 33.7 -66.2 -32.8 -23.1 7.2 65.3 335 42 B Y H << S+ 0 0 157 -3,-1.0 -1,-0.2 -4,-0.5 -2,-0.2 0.414 87.3 127.1-103.5 0.4 -26.2 7.9 67.4 336 43 B H < - 0 0 24 -4,-0.8 -3,-0.0 -3,-0.4 309,-0.0 -0.381 36.6-171.8 -67.2 134.9 -27.3 4.4 68.2 337 44 B Q - 0 0 116 -2,-0.1 -2,-0.1 308,-0.1 2,-0.0 -0.937 22.1-112.5-124.4 147.0 -27.7 3.6 71.9 338 45 B P - 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