==== 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 24-MAR-05 1X0M . COMPND 2 MOLECULE: AMINOTRANSFERASE II HOMOLOGUE; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS HORIKOSHII; . AUTHOR H.CHON,H.MATSUMURA,Y.KOGA,K.TAKANO,S.KANAYA . 403 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18799.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 273 67.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 26 6.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 28 6.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 1 0.2 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 . 17 4.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 143 35.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.5 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 1 1 0 0 1 1 1 0 3 1 2 1 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 0 3 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 PARALLEL BRIDGES PER LADDER . 1 3 0 1 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 ANTIPARALLEL BRIDGES PER LADDER . 2 0 1 0 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 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 26 A M 0 0 183 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -54.5 20.4 17.2 59.6 2 27 A L + 0 0 169 2,-0.1 3,-0.2 1,-0.0 0, 0.0 0.932 360.0 177.0 62.6 46.5 20.9 16.5 55.9 3 28 A G - 0 0 28 1,-0.2 2,-1.0 2,-0.1 -1,-0.0 0.111 46.5 -41.7 -70.5-171.8 19.8 20.1 55.0 4 29 A D > - 0 0 112 1,-0.2 3,-1.4 2,-0.1 -1,-0.2 -0.360 52.9-168.9 -57.6 95.7 19.6 21.7 51.6 5 30 A V G >> + 0 0 69 -2,-1.0 3,-3.0 1,-0.3 4,-1.0 0.660 67.9 96.4 -62.8 -14.8 22.9 20.5 50.2 6 31 A E G 34 S+ 0 0 115 1,-0.3 3,-0.4 2,-0.2 -1,-0.3 0.825 70.5 67.6 -43.0 -40.3 22.3 23.1 47.4 7 32 A R G <4 S+ 0 0 127 -3,-1.4 -1,-0.3 1,-0.2 -2,-0.1 0.769 104.1 44.2 -55.2 -27.9 24.5 25.5 49.3 8 33 A F T <4 S+ 0 0 149 -3,-3.0 -1,-0.2 -4,-0.1 -2,-0.2 0.765 88.3 103.6 -89.7 -29.6 27.5 23.2 48.6 9 34 A F S < S- 0 0 102 -4,-1.0 2,-0.1 -3,-0.4 5,-0.0 -0.167 70.7-119.0 -58.5 145.7 27.0 22.4 44.9 10 35 A S >> - 0 0 70 1,-0.1 4,-2.0 4,-0.0 3,-0.7 -0.303 27.0-105.5 -78.8 169.0 29.2 24.2 42.3 11 36 A K H 3> S+ 0 0 133 1,-0.3 4,-1.1 2,-0.2 5,-0.1 0.888 123.1 50.7 -62.3 -40.4 27.7 26.4 39.6 12 37 A K H 34 S+ 0 0 67 1,-0.2 -1,-0.3 2,-0.2 4,-0.2 0.640 113.7 47.3 -72.9 -14.0 28.3 23.7 36.9 13 38 A A H <4 S+ 0 0 27 -3,-0.7 -2,-0.2 2,-0.2 -1,-0.2 0.722 101.8 61.3 -97.1 -28.7 26.5 21.2 39.2 14 39 A L H < S+ 0 0 85 -4,-2.0 -2,-0.2 1,-0.2 -3,-0.1 0.837 105.7 48.8 -67.1 -32.4 23.5 23.4 40.1 15 40 A E S < S+ 0 0 112 -4,-1.1 -1,-0.2 -5,-0.2 -2,-0.2 0.698 88.5 113.6 -79.7 -20.9 22.5 23.5 36.4 16 41 A M - 0 0 103 -4,-0.2 2,-0.3 -3,-0.2 -3,-0.1 -0.215 45.0-177.2 -55.5 138.8 22.9 19.7 36.1 17 42 A R - 0 0 211 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 -0.966 32.1 -91.8-139.0 152.9 19.7 17.7 35.5 18 43 A A - 0 0 61 -2,-0.3 2,-0.5 1,-0.1 3,-0.1 -0.275 52.9 -94.9 -62.3 148.5 18.8 14.1 35.2 19 44 A S >> - 0 0 33 1,-0.2 4,-1.4 2,-0.1 3,-0.6 -0.547 30.6-153.7 -69.5 118.1 18.8 12.6 31.6 20 45 A E H 3> S+ 0 0 40 -2,-0.5 4,-1.1 1,-0.2 5,-0.2 0.890 92.2 59.3 -59.4 -43.9 15.3 12.8 30.3 21 46 A V H 3> S+ 0 0 8 1,-0.3 4,-1.2 2,-0.2 -1,-0.2 0.825 108.4 47.1 -56.5 -31.3 15.7 9.9 27.9 22 47 A R H <> S+ 0 0 157 -3,-0.6 4,-2.3 2,-0.2 5,-0.4 0.817 100.2 66.8 -79.4 -31.5 16.5 7.8 30.9 23 48 A E H < S+ 0 0 111 -4,-1.4 4,-0.2 1,-0.2 -2,-0.2 0.788 112.1 33.7 -59.0 -29.8 13.5 9.1 32.8 24 49 A L H X S+ 0 0 28 -4,-1.1 4,-1.9 -3,-0.2 -1,-0.2 0.730 110.3 63.9 -97.0 -28.5 11.2 7.4 30.3 25 50 A L H X S+ 0 0 30 -4,-1.2 4,-0.9 -5,-0.2 3,-0.3 0.951 110.4 38.5 -60.0 -50.5 13.4 4.4 29.7 26 51 A K H < S+ 0 0 148 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.780 111.0 63.0 -69.6 -26.5 13.1 3.2 33.3 27 52 A L H 4 S+ 0 0 105 -5,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.854 107.1 41.6 -66.0 -35.6 9.5 4.4 33.1 28 53 A V H >< S+ 0 0 16 -4,-1.9 3,-0.7 -3,-0.3 -1,-0.2 0.653 95.4 111.0 -85.3 -17.1 8.8 1.8 30.4 29 54 A E T 3< S+ 0 0 102 -4,-0.9 3,-0.1 1,-0.2 4,-0.1 -0.073 77.0 19.2 -55.2 157.7 10.9 -0.8 32.3 30 55 A T T 3 S+ 0 0 140 1,-0.2 2,-0.3 2,-0.1 -1,-0.2 0.818 101.6 119.6 46.4 39.8 9.1 -3.8 33.9 31 56 A S < - 0 0 67 -3,-0.7 -1,-0.2 2,-0.2 4,-0.2 -0.955 69.4-134.8-132.6 151.9 6.1 -3.3 31.6 32 57 A D S S+ 0 0 157 -2,-0.3 -1,-0.1 -3,-0.1 -2,-0.1 0.611 72.1 116.1 -77.9 -13.4 4.3 -5.5 29.0 33 58 A I S S- 0 0 26 -5,-0.1 2,-0.8 1,-0.1 -2,-0.2 -0.314 80.1-108.2 -58.4 135.9 4.2 -2.4 26.7 34 59 A I E -a 356 0A 12 321,-1.2 323,-1.9 354,-0.1 2,-0.5 -0.562 39.7-161.1 -71.5 106.1 6.2 -2.9 23.5 35 60 A S E +a 357 0A 31 -2,-0.8 323,-0.2 321,-0.2 345,-0.1 -0.782 29.5 165.6 -95.1 128.0 9.2 -0.6 23.9 36 61 A L + 0 0 0 321,-1.6 341,-1.7 -2,-0.5 323,-0.3 0.108 62.8 90.6-119.5 15.7 11.2 0.5 20.9 37 62 A A + 0 0 0 321,-0.3 321,-0.1 339,-0.2 -12,-0.1 0.661 63.2 100.2 -86.8 -19.4 12.8 3.3 23.0 38 63 A G - 0 0 7 339,-0.1 321,-0.1 1,-0.1 341,-0.1 0.093 51.5-163.0 -62.1 176.8 15.8 1.2 24.2 39 64 A G + 0 0 24 2,-0.1 -1,-0.1 338,-0.1 294,-0.0 0.101 47.5 123.2-148.0 20.1 19.3 1.3 22.9 40 65 A L - 0 0 85 1,-0.1 339,-0.1 292,-0.0 2,-0.1 -0.564 62.1-116.1 -90.4 148.3 20.8 -1.9 24.3 41 66 A P - 0 0 10 0, 0.0 -2,-0.1 0, 0.0 -1,-0.1 -0.419 42.0 -96.4 -75.9 162.4 22.3 -4.8 22.3 42 67 A N > - 0 0 8 1,-0.1 3,-2.8 -2,-0.1 4,-0.2 -0.693 23.3-137.4 -81.7 126.0 20.4 -8.1 22.5 43 68 A P G > S+ 0 0 54 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 0.754 100.4 73.2 -53.2 -22.5 21.9 -10.4 25.2 44 69 A K G 3 S+ 0 0 137 1,-0.3 4,-0.1 3,-0.1 -2,-0.0 0.729 89.7 58.4 -65.7 -20.0 21.5 -13.2 22.6 45 70 A T G < S+ 0 0 9 -3,-2.8 -1,-0.3 2,-0.1 255,-0.1 0.409 78.5 113.9 -88.7 1.2 24.4 -11.8 20.7 46 71 A F S < S- 0 0 55 -3,-1.8 2,-2.7 -4,-0.2 3,-0.2 -0.627 71.7-132.5 -75.9 123.2 26.8 -12.1 23.6 47 72 A P > + 0 0 8 0, 0.0 4,-2.6 0, 0.0 5,-0.2 -0.378 41.6 164.2 -74.3 67.5 29.5 -14.7 22.8 48 73 A K H > + 0 0 123 -2,-2.7 4,-3.0 1,-0.2 5,-0.2 0.883 69.4 48.2 -54.1 -49.0 29.0 -16.4 26.2 49 74 A E H > S+ 0 0 163 -3,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.927 114.9 46.4 -60.4 -44.4 30.9 -19.7 25.4 50 75 A I H > S+ 0 0 32 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.879 113.0 49.9 -64.7 -38.4 33.8 -17.7 24.0 51 76 A I H X S+ 0 0 25 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.922 109.6 51.8 -65.8 -43.6 33.8 -15.4 27.0 52 77 A R H X S+ 0 0 180 -4,-3.0 4,-2.0 1,-0.2 -2,-0.2 0.928 110.6 47.9 -58.8 -45.6 33.7 -18.5 29.3 53 78 A D H X S+ 0 0 90 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.878 112.0 49.3 -63.3 -39.7 36.7 -19.9 27.5 54 79 A I H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.882 108.2 53.5 -67.8 -39.0 38.7 -16.7 27.7 55 80 A L H X S+ 0 0 59 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.917 111.7 44.8 -62.7 -43.8 38.0 -16.3 31.4 56 81 A V H < S+ 0 0 81 -4,-2.0 4,-0.5 1,-0.2 -1,-0.2 0.920 112.5 52.5 -64.9 -43.6 39.3 -19.8 32.1 57 82 A E H >X S+ 0 0 49 -4,-2.2 4,-1.8 1,-0.2 3,-0.8 0.890 109.6 49.7 -58.2 -42.9 42.3 -19.1 29.9 58 83 A I H 3X S+ 0 0 0 -4,-2.5 4,-1.5 1,-0.2 -1,-0.2 0.917 104.4 56.3 -64.8 -46.2 43.0 -15.9 31.8 59 84 A M H 3< S+ 0 0 105 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.545 119.1 33.0 -66.6 -5.9 42.9 -17.4 35.2 60 85 A E H <4 S+ 0 0 133 -3,-0.8 -1,-0.2 -4,-0.5 -2,-0.2 0.593 131.0 27.6-121.9 -18.6 45.6 -19.9 34.3 61 86 A K H < S+ 0 0 135 -4,-1.8 -3,-0.2 -5,-0.2 -2,-0.2 0.764 135.1 15.8-111.6 -40.9 47.8 -18.0 31.8 62 87 A Y S X S+ 0 0 51 -4,-1.5 4,-1.7 -5,-0.4 5,-0.2 -0.091 75.1 134.6-129.6 36.5 47.5 -14.2 32.6 63 88 A A H > S+ 0 0 26 1,-0.2 4,-1.4 2,-0.2 3,-0.2 0.899 77.4 43.1 -53.3 -49.3 46.1 -14.1 36.1 64 89 A D H > S+ 0 0 135 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.889 112.7 51.4 -67.6 -40.5 48.5 -11.5 37.5 65 90 A K H 4 S+ 0 0 105 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.774 113.9 45.0 -69.2 -23.8 48.4 -9.3 34.4 66 91 A A H < S+ 0 0 3 -4,-1.7 213,-0.3 -8,-0.2 -1,-0.2 0.721 119.5 40.5 -89.6 -23.4 44.6 -9.2 34.5 67 92 A L H < S+ 0 0 113 -4,-1.4 -2,-0.2 -5,-0.2 -3,-0.2 0.668 101.1 79.0 -98.5 -21.1 44.3 -8.6 38.3 68 93 A Q S < S- 0 0 125 -4,-2.1 210,-0.1 -5,-0.1 211,-0.0 -0.436 92.3 -84.5 -87.7 162.6 47.2 -6.1 38.9 69 94 A Y - 0 0 179 -2,-0.1 2,-0.2 1,-0.1 -1,-0.1 -0.295 48.8-154.1 -62.0 149.1 47.1 -2.3 38.3 70 95 A G - 0 0 34 206,-0.2 2,-0.2 -3,-0.1 5,-0.1 -0.663 24.6 -79.4-120.5 177.4 48.0 -1.3 34.7 71 96 A T > - 0 0 89 -2,-0.2 3,-2.0 3,-0.1 -1,-0.1 -0.546 40.4-118.2 -77.6 142.5 49.5 1.7 32.9 72 97 A T T 3 S+ 0 0 26 1,-0.3 204,-0.3 -2,-0.2 28,-0.1 0.801 112.6 60.8 -47.5 -36.1 47.1 4.6 32.3 73 98 A K T 3 S- 0 0 37 1,-0.2 27,-2.5 26,-0.1 -1,-0.3 0.762 114.9-107.5 -67.2 -26.8 47.6 4.2 28.6 74 99 A G < - 0 0 2 -3,-2.0 -1,-0.2 25,-0.2 -3,-0.1 -0.375 50.5 -33.2 118.6 162.6 46.2 0.7 28.6 75 100 A F > - 0 0 28 1,-0.1 4,-2.1 -2,-0.1 3,-0.4 -0.328 55.9-140.3 -53.2 121.1 47.2 -3.0 28.3 76 101 A T H > S+ 0 0 67 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.898 97.4 48.1 -55.1 -51.4 50.1 -3.0 25.8 77 102 A P H > S+ 0 0 27 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.820 111.1 52.7 -63.5 -28.1 49.2 -6.2 23.9 78 103 A L H > S+ 0 0 0 -3,-0.4 4,-2.2 2,-0.2 -2,-0.2 0.915 109.6 48.5 -70.1 -42.6 45.6 -4.9 23.6 79 104 A R H X S+ 0 0 40 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.862 115.1 45.4 -64.2 -37.1 46.9 -1.6 22.1 80 105 A E H X S+ 0 0 123 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.908 112.8 48.1 -73.6 -45.0 49.2 -3.5 19.7 81 106 A T H X S+ 0 0 18 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.879 112.1 51.9 -65.3 -34.6 46.6 -6.0 18.6 82 107 A L H X S+ 0 0 0 -4,-2.2 4,-3.2 2,-0.2 5,-0.3 0.925 109.4 46.9 -67.0 -45.3 44.1 -3.2 18.1 83 108 A M H X S+ 0 0 15 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.867 113.5 49.6 -64.1 -36.8 46.3 -1.1 15.9 84 109 A K H X S+ 0 0 137 -4,-2.0 4,-2.7 2,-0.2 -1,-0.2 0.943 114.8 45.3 -65.7 -45.9 47.2 -4.2 13.8 85 110 A W H < S+ 0 0 35 -4,-2.4 -2,-0.2 1,-0.2 5,-0.2 0.884 113.1 47.8 -65.1 -43.3 43.6 -5.0 13.5 86 111 A L H >X>S+ 0 0 1 -4,-3.2 4,-2.4 2,-0.2 6,-1.2 0.858 115.2 47.4 -67.9 -35.5 42.4 -1.5 12.6 87 112 A G H 3X5S+ 0 0 18 -4,-1.9 4,-1.1 -5,-0.3 -2,-0.2 0.957 113.8 45.1 -69.0 -50.8 45.2 -1.2 10.1 88 113 A K H 3<5S+ 0 0 179 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.252 126.1 32.1 -77.7 11.4 44.6 -4.6 8.4 89 114 A R H <45S+ 0 0 78 -3,-0.6 -2,-0.2 -5,-0.1 -1,-0.2 0.570 132.3 20.4-136.7 -31.5 40.8 -4.0 8.3 90 115 A Y H <5S- 0 0 39 -4,-2.4 136,-0.4 -5,-0.2 -3,-0.2 0.552 95.8-117.0-117.5 -15.4 40.1 -0.3 7.9 91 116 A G << + 0 0 51 -4,-1.1 2,-0.3 -5,-0.8 -4,-0.2 0.730 52.6 163.4 84.0 23.2 43.4 0.9 6.4 92 117 A I - 0 0 5 -6,-1.2 -1,-0.3 -9,-0.1 137,-0.1 -0.609 42.5-109.1 -76.8 131.7 44.2 3.2 9.3 93 118 A S > - 0 0 40 135,-0.4 3,-1.2 -2,-0.3 -1,-0.1 -0.291 8.3-136.7 -65.4 144.1 47.9 4.3 9.3 94 119 A Q T 3 S+ 0 0 109 1,-0.3 -1,-0.1 -7,-0.0 -2,-0.0 0.531 93.7 87.6 -74.7 -6.9 50.2 2.9 12.0 95 120 A D T 3 S+ 0 0 131 2,-0.0 -1,-0.3 163,-0.0 2,-0.2 0.663 76.4 85.0 -65.1 -17.6 51.6 6.5 12.2 96 121 A N S < S- 0 0 13 -3,-1.2 162,-0.2 162,-0.1 2,-0.2 -0.508 74.0-137.5 -85.5 156.1 48.8 7.1 14.8 97 122 A D E -B 257 0B 38 160,-2.4 160,-1.2 -2,-0.2 2,-0.3 -0.434 17.5-144.2-100.1 179.6 49.1 6.2 18.5 98 123 A I E -B 256 0B 4 158,-0.2 2,-0.3 -2,-0.2 158,-0.2 -0.995 13.9-171.6-152.9 143.5 46.4 4.6 20.6 99 124 A M E -B 255 0B 0 156,-1.9 156,-2.3 -2,-0.3 2,-0.3 -0.981 25.0-123.9-133.1 143.9 45.0 4.8 24.2 100 125 A I E +B 254 0B 0 -27,-2.5 154,-0.3 -2,-0.3 2,-0.2 -0.663 33.9 173.4 -89.2 145.4 42.4 2.5 25.8 101 126 A T E -B 253 0B 0 152,-2.5 152,-2.1 -2,-0.3 3,-0.1 -0.651 45.3-106.8-133.7-170.3 39.2 4.0 27.4 102 127 A S S S- 0 0 28 1,-0.5 2,-0.3 150,-0.3 3,-0.1 0.342 83.7 -70.5-103.2 -0.3 35.9 2.9 28.9 103 128 A G > - 0 0 2 1,-0.1 4,-2.3 137,-0.1 -1,-0.5 -0.846 69.7 -48.1 138.4-174.1 34.0 3.9 25.8 104 129 A S H > S+ 0 0 14 -2,-0.3 4,-3.3 1,-0.2 5,-0.3 0.879 125.1 61.2 -61.6 -40.6 32.9 7.0 23.9 105 130 A Q H > S+ 0 0 82 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.941 112.1 35.9 -52.3 -56.2 31.6 8.7 27.1 106 131 A Q H > S+ 0 0 26 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.935 116.5 54.1 -65.6 -46.2 34.9 8.8 28.8 107 132 A A H X S+ 0 0 1 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.894 111.5 45.9 -55.2 -40.6 36.8 9.4 25.6 108 133 A L H X S+ 0 0 0 -4,-3.3 4,-2.9 2,-0.2 -1,-0.2 0.839 108.6 55.9 -71.4 -34.2 34.6 12.4 24.8 109 134 A D H X S+ 0 0 39 -4,-1.8 4,-1.3 -5,-0.3 -2,-0.2 0.941 110.4 45.5 -62.2 -46.7 35.0 13.7 28.4 110 135 A L H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 5,-0.2 0.902 112.7 50.8 -63.7 -42.2 38.8 13.7 28.0 111 136 A I H X>S+ 0 0 1 -4,-2.0 4,-2.5 -5,-0.2 5,-0.5 0.952 110.1 48.0 -60.9 -50.7 38.6 15.3 24.6 112 137 A G H X5S+ 0 0 0 -4,-2.9 4,-1.1 1,-0.2 -1,-0.2 0.800 113.7 51.8 -60.4 -24.7 36.3 18.1 25.8 113 138 A R H <5S+ 0 0 120 -4,-1.3 -2,-0.2 -5,-0.2 -1,-0.2 0.889 115.2 37.3 -77.8 -42.5 38.8 18.4 28.7 114 139 A V H <5S+ 0 0 47 -4,-2.5 -2,-0.2 1,-0.1 -3,-0.2 0.714 132.0 26.3 -83.8 -23.0 41.9 18.7 26.5 115 140 A F H <5S+ 0 0 30 -4,-2.5 2,-0.6 -5,-0.2 -3,-0.2 0.692 100.0 87.3-113.5 -25.6 40.4 20.8 23.7 116 141 A L << + 0 0 11 -4,-1.1 -1,-0.1 -5,-0.5 6,-0.0 -0.715 40.8 176.4 -97.2 118.4 37.5 22.7 25.1 117 142 A N > - 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0 0 61 -2,-0.3 4,-2.0 1,-0.1 3,-0.6 -0.407 25.8-116.8 -75.0 149.9 11.7 -9.7 19.1 383 408 A E H 3> S+ 0 0 78 1,-0.3 4,-1.8 2,-0.2 5,-0.2 0.852 116.0 54.2 -54.2 -39.9 10.7 -9.7 15.5 384 409 A D H 3> S+ 0 0 104 1,-0.2 4,-1.2 2,-0.2 -1,-0.3 0.867 111.6 45.3 -64.2 -35.6 7.1 -10.8 16.4 385 410 A K H <> S+ 0 0 89 -3,-0.6 4,-2.4 2,-0.2 -2,-0.2 0.787 104.8 63.6 -78.0 -27.2 6.9 -7.8 18.8 386 411 A I H X S+ 0 0 0 -4,-2.0 4,-3.0 2,-0.2 5,-0.3 0.955 102.7 47.7 -60.9 -49.9 8.4 -5.5 16.2 387 412 A M H X S+ 0 0 47 -4,-1.8 4,-1.7 1,-0.2 -1,-0.2 0.928 116.9 42.8 -56.4 -49.1 5.4 -6.0 13.8 388 413 A E H X S+ 0 0 96 -4,-1.2 4,-2.1 2,-0.2 -1,-0.2 0.798 114.1 52.4 -69.0 -29.8 2.9 -5.4 16.6 389 414 A G H X S+ 0 0 0 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.951 110.1 45.9 -70.8 -49.4 4.9 -2.5 17.9 390 415 A I H X S+ 0 0 0 -4,-3.0 4,-2.3 1,-0.2 -2,-0.2 0.838 111.9 54.9 -61.0 -34.1 5.1 -0.7 14.6 391 416 A K H X S+ 0 0 76 -4,-1.7 4,-2.2 -5,-0.3 5,-0.2 0.957 107.9 46.3 -65.0 -51.5 1.4 -1.4 14.1 392 417 A R H X S+ 0 0 70 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.847 114.0 50.1 -60.4 -33.0 0.4 0.2 17.5 393 418 A L H X S+ 0 0 0 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.883 107.0 54.5 -72.0 -38.4 2.6 3.2 16.6 394 419 A A H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.904 110.5 45.3 -61.3 -43.4 1.0 3.5 13.2 395 420 A E H X S+ 0 0 65 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.873 108.3 57.6 -67.9 -38.2 -2.4 3.7 14.8 396 421 A T H X S+ 0 0 0 -4,-1.7 4,-1.6 -5,-0.2 -2,-0.2 0.893 110.6 44.1 -58.6 -40.1 -1.1 6.2 17.3 397 422 A I H X S+ 0 0 1 -4,-2.0 4,-0.5 2,-0.2 -2,-0.2 0.910 110.7 52.8 -71.9 -44.3 -0.0 8.5 14.5 398 423 A K H >X S+ 0 0 81 -4,-2.2 3,-0.6 1,-0.2 4,-0.5 0.885 111.6 47.1 -59.2 -40.7 -3.2 8.1 12.4 399 424 A E H >X S+ 0 0 66 -4,-2.3 4,-1.2 1,-0.2 3,-1.1 0.890 106.0 54.5 -70.7 -42.0 -5.4 9.1 15.4 400 425 A E H 3< S+ 0 0 41 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.561 101.6 63.2 -71.3 -4.4 -3.4 12.2 16.5 401 426 A L H << S+ 0 0 90 -3,-0.6 -1,-0.3 -4,-0.5 -2,-0.2 0.723 112.8 32.8 -87.6 -25.2 -3.8 13.4 12.9 402 427 A K H << 0 0 167 -3,-1.1 -2,-0.2 -4,-0.5 -3,-0.1 0.896 360.0 360.0 -90.9 -77.9 -7.6 13.6 13.3 403 428 A A < 0 0 127 -4,-1.2 -2,-0.1 0, 0.0 -1,-0.1 -0.658 360.0 360.0-108.0 360.0 -8.5 14.5 16.9