==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 28-AUG-09 3IU0 . COMPND 2 MOLECULE: PROTEIN-GLUTAMINE GAMMA-GLUTAMYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES MOBARAENSIS; . AUTHOR T.T.LI . 354 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16100.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 215 60.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 50 14.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 3 0.8 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 . 15 4.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 92 26.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.7 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 1 1 0 1 2 1 1 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 7 2 0 0 3 0 0 0 0 1 0 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 0 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 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 9 A T 0 0 132 0, 0.0 326,-0.1 0, 0.0 325,-0.1 0.000 360.0 360.0 360.0-165.8 6.3 -7.0 -24.3 2 10 A K - 0 0 46 323,-0.1 325,-1.5 324,-0.1 326,-0.3 -0.328 360.0-124.2 -73.9 145.4 7.7 -8.4 -21.1 3 11 A S > - 0 0 7 323,-0.2 4,-2.2 324,-0.2 5,-0.2 -0.405 24.2-111.7 -79.2 163.6 7.8 -12.2 -20.5 4 12 A Y H > S+ 0 0 2 1,-0.2 4,-2.1 2,-0.2 6,-0.2 0.910 120.4 51.0 -57.4 -44.3 6.3 -13.8 -17.4 5 13 A A H >>S+ 0 0 12 269,-0.4 5,-2.0 1,-0.2 4,-0.8 0.873 110.0 48.3 -63.8 -41.6 9.9 -14.6 -16.2 6 14 A E H 45S+ 0 0 127 3,-0.2 3,-0.3 1,-0.2 -1,-0.2 0.890 112.6 49.8 -64.4 -40.0 11.1 -11.0 -16.7 7 15 A T H <5S+ 0 0 73 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.864 122.7 30.1 -66.9 -39.3 8.1 -9.7 -14.8 8 16 A Y H <5S- 0 0 48 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.352 107.3-117.6-104.6 5.7 8.4 -11.9 -11.8 9 17 A R T <5 + 0 0 224 -4,-0.8 2,-0.3 -3,-0.3 -3,-0.2 0.868 51.7 171.6 51.7 45.4 12.2 -12.3 -11.9 10 18 A L < - 0 0 20 -5,-2.0 -1,-0.2 -6,-0.2 2,-0.1 -0.662 23.2-138.8 -83.4 135.9 12.0 -16.1 -12.5 11 19 A T > - 0 0 70 -2,-0.3 4,-2.6 1,-0.1 5,-0.2 -0.322 30.1 -97.7 -84.7 173.1 15.2 -17.9 -13.4 12 20 A A H > S+ 0 0 62 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.902 128.4 50.2 -57.6 -43.0 15.7 -20.6 -16.0 13 21 A D H > S+ 0 0 122 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.913 109.2 51.6 -59.6 -46.7 15.3 -23.2 -13.2 14 22 A D H > S+ 0 0 7 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.934 112.1 46.0 -53.3 -51.8 12.1 -21.5 -11.9 15 23 A V H X S+ 0 0 8 -4,-2.6 4,-2.8 2,-0.2 5,-0.2 0.914 112.2 50.0 -61.8 -45.6 10.6 -21.6 -15.4 16 24 A A H X S+ 0 0 55 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.904 112.3 48.8 -60.8 -41.5 11.6 -25.3 -16.0 17 25 A N H X S+ 0 0 56 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.902 111.2 48.8 -65.6 -42.3 10.1 -26.2 -12.7 18 26 A I H X S+ 0 0 3 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.937 113.9 46.9 -61.9 -47.6 6.8 -24.4 -13.4 19 27 A N H X S+ 0 0 16 -4,-2.8 4,-1.7 2,-0.2 -2,-0.2 0.907 110.1 52.8 -61.5 -43.0 6.6 -26.0 -16.8 20 28 A A H X S+ 0 0 57 -4,-2.5 4,-0.7 1,-0.2 3,-0.2 0.934 113.3 42.8 -60.8 -47.1 7.3 -29.5 -15.4 21 29 A L H >< S+ 0 0 31 -4,-2.2 3,-0.7 1,-0.2 -1,-0.2 0.898 113.2 52.7 -65.8 -39.6 4.6 -29.3 -12.8 22 30 A N H 3< S+ 0 0 4 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.735 108.6 50.2 -70.2 -25.1 2.1 -27.7 -15.2 23 31 A E H 3< S+ 0 0 85 -4,-1.7 -1,-0.2 -3,-0.2 -2,-0.2 0.587 103.8 75.8 -85.7 -14.0 2.6 -30.5 -17.7 24 32 A S << 0 0 57 -4,-0.7 -3,-0.0 -3,-0.7 0, 0.0 -0.370 360.0 360.0 -89.1 175.7 2.1 -33.2 -15.0 25 33 A A 0 0 99 -2,-0.1 -3,-0.1 0, 0.0 -1,-0.1 0.523 360.0 360.0 -16.9 360.0 -1.2 -34.4 -13.4 26 ! 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 27 49 A D 0 0 63 0, 0.0 280,-0.1 0, 0.0 282,-0.0 0.000 360.0 360.0 360.0 71.5 12.2 -27.0 -5.6 28 50 A D - 0 0 142 1,-0.1 2,-0.2 276,-0.0 279,-0.1 -0.212 360.0-106.8 -70.9 148.4 9.2 -29.1 -4.6 29 51 A R - 0 0 65 275,-0.1 2,-0.4 276,-0.1 275,-0.2 -0.525 35.7-152.9 -70.7 135.1 5.6 -28.0 -4.4 30 52 A V - 0 0 56 273,-2.6 273,-0.2 -2,-0.2 -1,-0.0 -0.945 11.8-132.5-116.1 132.2 4.3 -27.6 -0.8 31 53 A T - 0 0 38 -2,-0.4 51,-0.2 273,-0.0 50,-0.1 -0.739 31.5-123.4 -78.3 117.3 0.7 -27.9 0.4 32 54 A P - 0 0 0 0, 0.0 3,-0.1 0, 0.0 53,-0.1 -0.292 32.9-107.6 -58.2 145.1 -0.1 -24.9 2.6 33 55 A P - 0 0 83 0, 0.0 2,-0.0 0, 0.0 0, 0.0 -0.221 43.6 -77.2 -71.9 166.5 -1.2 -25.9 6.1 34 56 A A - 0 0 50 1,-0.1 43,-0.1 41,-0.0 22,-0.0 -0.325 39.5-146.7 -62.3 140.1 -4.8 -25.7 7.4 35 57 A E - 0 0 14 41,-0.2 41,-0.2 -3,-0.1 -1,-0.1 -0.967 20.8-121.3-107.7 123.6 -6.0 -22.2 8.4 36 58 A P > - 0 0 64 0, 0.0 3,-1.6 0, 0.0 0, 0.0 -0.300 18.7-123.2 -59.4 146.4 -8.5 -22.1 11.4 37 59 A L T 3 S+ 0 0 65 1,-0.3 37,-0.0 26,-0.1 36,-0.0 0.810 109.7 59.7 -60.2 -31.2 -11.8 -20.5 10.5 38 60 A D T 3 S+ 0 0 133 2,-0.1 2,-0.9 1,-0.0 -1,-0.3 0.398 80.2 97.9 -82.4 1.6 -11.4 -18.0 13.4 39 61 A R S < S- 0 0 119 -3,-1.6 -1,-0.0 21,-0.0 -4,-0.0 -0.835 70.3-146.7 -90.9 108.5 -8.2 -16.6 11.9 40 62 A M - 0 0 98 -2,-0.9 21,-0.1 1,-0.1 20,-0.1 -0.373 23.2 -99.0 -71.0 148.5 -9.2 -13.4 10.0 41 63 A P - 0 0 7 0, 0.0 -1,-0.1 0, 0.0 17,-0.1 -0.337 36.0-110.2 -66.5 149.7 -7.3 -12.5 6.9 42 64 A D - 0 0 81 1,-0.1 19,-0.1 -2,-0.0 2,-0.1 -0.606 43.0-101.4 -71.9 141.1 -4.6 -9.8 7.0 43 65 A P + 0 0 93 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.368 49.1 164.4 -62.7 143.1 -5.6 -6.6 5.3 44 66 A Y B -A 354 0A 29 310,-1.6 310,-2.6 308,-0.1 9,-0.1 -0.954 17.4-152.0-154.4 153.8 -4.2 -5.9 1.8 45 67 A R - 0 0 216 -2,-0.3 7,-0.3 308,-0.2 308,-0.2 -0.929 21.9-100.4-134.0 151.9 -5.2 -3.4 -0.8 46 68 A P - 0 0 55 0, 0.0 2,-0.4 0, 0.0 5,-0.3 -0.419 30.4-168.6 -71.8 150.6 -5.2 -3.1 -4.6 47 69 A S B > -B 50 0B 65 3,-2.9 3,-1.8 -2,-0.1 0, 0.0 -0.995 69.5 -11.8-138.3 125.2 -2.5 -1.0 -6.3 48 70 A Y T 3 S- 0 0 206 -2,-0.4 3,-0.1 1,-0.3 -1,-0.0 0.819 134.4 -42.3 51.6 38.4 -2.7 -0.0 -10.0 49 71 A G T 3 S+ 0 0 22 1,-0.1 269,-2.7 268,-0.1 2,-0.4 0.290 124.0 79.1 98.7 -7.6 -5.5 -2.5 -10.8 50 72 A R E < -BC 47 317B 108 -3,-1.8 -3,-2.9 267,-0.2 2,-0.3 -0.993 50.5-164.9-139.0 141.5 -4.3 -5.5 -8.8 51 73 A A E - C 0 316B 1 265,-2.4 265,-3.2 -2,-0.4 2,-0.3 -0.874 17.0-174.5-110.5 151.1 -4.3 -6.8 -5.2 52 74 A E E + C 0 315B 77 -2,-0.3 2,-0.3 -7,-0.3 263,-0.2 -0.992 8.1 175.3-148.6 143.9 -2.0 -9.7 -4.1 53 75 A T E - C 0 314B 12 261,-2.0 261,-2.9 -2,-0.3 5,-0.1 -0.989 41.1 -90.4-144.8 151.3 -1.5 -11.7 -1.0 54 76 A V E >> - C 0 313B 41 -2,-0.3 4,-1.8 259,-0.3 3,-0.9 -0.299 46.4-111.2 -57.0 145.6 0.5 -14.7 0.1 55 77 A V H 3> S+ 0 0 0 257,-2.8 4,-2.7 1,-0.3 5,-0.2 0.822 115.2 59.1 -54.4 -36.7 -1.5 -18.0 -0.5 56 78 A N H 3> S+ 0 0 35 256,-0.3 4,-1.3 1,-0.2 -1,-0.3 0.901 109.3 44.8 -61.1 -40.9 -1.9 -18.7 3.3 57 79 A N H <> S+ 0 0 1 -3,-0.9 4,-2.0 2,-0.2 -1,-0.2 0.843 109.7 55.6 -70.0 -34.9 -3.7 -15.3 3.7 58 80 A Y H X S+ 0 0 2 -4,-1.8 4,-3.3 1,-0.2 5,-0.3 0.910 102.3 56.2 -63.3 -42.3 -5.7 -16.0 0.6 59 81 A I H X S+ 0 0 0 -4,-2.7 4,-2.4 2,-0.2 -1,-0.2 0.902 106.1 52.2 -52.9 -42.6 -6.9 -19.3 2.1 60 82 A R H X S+ 0 0 17 -4,-1.3 4,-1.9 2,-0.2 -2,-0.2 0.941 112.8 43.5 -61.2 -47.5 -8.2 -17.2 5.1 61 83 A K H X S+ 0 0 5 -4,-2.0 4,-2.2 2,-0.2 5,-0.4 0.924 113.0 51.4 -62.4 -47.4 -10.1 -14.8 2.8 62 84 A W H <>S+ 0 0 8 -4,-3.3 5,-1.9 1,-0.2 4,-0.3 0.897 109.5 52.0 -56.6 -41.8 -11.5 -17.7 0.6 63 85 A Q H <5S+ 0 0 0 -4,-2.4 11,-0.4 -5,-0.3 -1,-0.2 0.890 110.6 47.1 -65.1 -40.0 -12.7 -19.4 3.9 64 86 A Q H <5S+ 0 0 22 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.879 134.3 6.5 -64.8 -40.5 -14.5 -16.3 5.0 65 87 A V T ><5S+ 0 0 48 -4,-2.2 3,-0.8 -5,-0.1 -3,-0.2 0.841 129.3 38.8-113.3 -57.2 -16.2 -15.6 1.7 66 88 A Y T 3 5S+ 0 0 10 -5,-0.4 278,-0.7 -4,-0.3 -3,-0.2 0.625 98.8 74.7 -81.5 -13.0 -15.9 -18.1 -1.1 67 89 A S T 3 < + 0 0 6 -5,-1.9 -1,-0.2 276,-0.1 -4,-0.1 0.592 64.8 128.9 -76.0 -13.8 -16.1 -21.3 1.0 68 90 A H < - 0 0 38 -3,-0.8 276,-0.5 276,-0.2 2,-0.4 -0.133 34.9-173.3 -58.9 134.2 -19.9 -21.1 1.6 69 91 A R B > S-J 72 0C 85 3,-2.0 3,-1.6 274,-0.2 274,-0.2 -0.994 81.3 -12.6-125.0 119.9 -22.0 -24.2 0.9 70 92 A D T 3 S- 0 0 129 272,-2.2 -1,-0.1 -2,-0.4 273,-0.1 0.886 134.4 -52.0 50.6 42.0 -25.7 -23.6 1.3 71 93 A G T 3 S+ 0 0 68 271,-0.5 2,-0.4 1,-0.2 -1,-0.2 0.356 115.3 112.1 84.9 -4.2 -24.8 -20.3 3.0 72 94 A R B < -J 69 0C 50 -3,-1.6 -3,-2.0 -5,-0.1 -1,-0.2 -0.893 64.0-121.9-115.2 129.7 -22.4 -21.8 5.6 73 95 A K - 0 0 103 -2,-0.4 2,-0.3 -5,-0.2 -9,-0.1 -0.187 30.6-177.8 -58.3 152.0 -18.6 -21.3 5.8 74 96 A Q - 0 0 85 -11,-0.4 -7,-0.1 -37,-0.0 2,-0.1 -0.990 31.2-100.5-149.6 149.6 -16.2 -24.2 5.7 75 97 A Q - 0 0 86 -2,-0.3 2,-0.4 1,-0.1 -15,-0.1 -0.398 45.0-105.2 -59.0 141.2 -12.4 -24.8 6.0 76 98 A M - 0 0 2 -41,-0.2 -41,-0.2 -17,-0.1 -1,-0.1 -0.629 48.0-121.2 -64.9 123.4 -10.7 -25.3 2.7 77 99 A T > - 0 0 73 -2,-0.4 4,-2.7 1,-0.1 5,-0.2 -0.134 16.5-106.9 -69.6 164.7 -10.0 -29.1 2.8 78 100 A E H > S+ 0 0 97 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.915 122.9 50.7 -55.3 -45.9 -6.6 -30.6 2.6 79 101 A E H > S+ 0 0 110 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.875 110.3 49.7 -60.7 -39.1 -7.3 -31.8 -1.0 80 102 A Q H > S+ 0 0 22 2,-0.2 4,-2.9 1,-0.2 -2,-0.2 0.909 109.4 50.5 -68.1 -40.4 -8.4 -28.2 -1.9 81 103 A R H X S+ 0 0 27 -4,-2.7 4,-2.0 2,-0.2 -2,-0.2 0.872 109.6 52.7 -64.0 -35.3 -5.2 -26.7 -0.4 82 104 A E H < S+ 0 0 64 -4,-2.1 4,-0.4 -5,-0.2 -2,-0.2 0.958 111.1 45.4 -62.3 -49.6 -3.3 -29.3 -2.5 83 105 A W H >< S+ 0 0 37 -4,-2.4 3,-1.8 1,-0.2 -2,-0.2 0.940 111.5 52.7 -58.3 -49.0 -5.0 -28.2 -5.7 84 106 A L H >< S+ 0 0 0 -4,-2.9 3,-1.9 1,-0.3 6,-0.3 0.878 97.4 67.4 -54.2 -41.6 -4.6 -24.5 -4.8 85 107 A S T 3< S+ 0 0 0 -4,-2.0 218,-2.6 1,-0.3 -1,-0.3 0.559 78.6 81.5 -60.6 -11.5 -0.8 -25.0 -4.3 86 108 A Y T < S- 0 0 32 -3,-1.8 2,-0.5 -4,-0.4 216,-0.4 0.582 90.6-144.2 -72.8 -11.4 -0.3 -25.8 -8.1 87 109 A G S X> S+ 0 0 0 -3,-1.9 4,-0.9 214,-0.3 3,-0.7 -0.788 71.5 27.1 101.2-126.1 -0.3 -22.0 -8.8 88 110 A C H 3> S+ 0 0 2 -2,-0.5 4,-0.5 1,-0.3 211,-0.5 0.871 133.2 37.0 -36.9 -57.2 -1.8 -20.5 -12.0 89 111 A V H 3> S+ 0 0 0 -3,-0.4 4,-2.5 1,-0.2 -1,-0.3 0.728 99.6 78.9 -78.4 -24.6 -4.3 -23.4 -12.3 90 112 A G H <> S+ 0 0 0 -3,-0.7 4,-2.6 -6,-0.3 5,-0.2 0.834 89.2 52.5 -59.1 -44.2 -5.0 -23.9 -8.6 91 113 A V H X S+ 0 0 0 -4,-0.9 4,-2.3 -3,-0.4 -1,-0.2 0.932 114.8 42.6 -58.4 -45.9 -7.5 -21.1 -8.1 92 114 A T H X S+ 0 0 0 -4,-0.5 4,-1.9 2,-0.2 6,-0.4 0.876 113.0 53.5 -68.5 -39.1 -9.6 -22.3 -11.0 93 115 A W H X>S+ 0 0 30 -4,-2.5 4,-1.8 2,-0.2 5,-0.7 0.949 113.2 42.2 -61.8 -52.2 -9.3 -25.9 -10.0 94 116 A V H <5S+ 0 0 4 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.929 115.2 49.0 -60.0 -48.8 -10.6 -25.2 -6.4 95 117 A N H <5S+ 0 0 2 -4,-2.3 250,-0.2 -5,-0.2 -1,-0.2 0.798 121.2 34.7 -66.3 -30.9 -13.3 -22.8 -7.5 96 118 A S H <5S- 0 0 11 -4,-1.9 -1,-0.2 2,-0.2 -2,-0.2 0.624 100.3-131.3 -95.3 -20.1 -14.7 -25.2 -10.2 97 119 A G T <5S+ 0 0 31 -4,-1.8 2,-0.3 -5,-0.2 -3,-0.2 0.632 79.0 78.1 75.5 14.8 -14.0 -28.4 -8.3 98 120 A Q S - 0 0 81 30,-3.1 4,-1.9 -2,-0.4 3,-0.2 -0.747 20.0-178.8 -90.6 91.8 -10.9 -10.1 -36.7 111 133 A E H > S+ 0 0 77 -2,-1.1 4,-2.7 1,-0.2 5,-0.2 0.828 79.0 56.6 -58.1 -38.0 -10.3 -12.0 -39.9 112 134 A D H > S+ 0 0 131 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.902 107.6 46.4 -64.5 -44.5 -10.4 -8.8 -42.0 113 135 A R H > S+ 0 0 94 -3,-0.2 4,-2.6 2,-0.2 5,-0.2 0.891 113.2 51.1 -63.0 -42.1 -7.6 -7.1 -40.1 114 136 A F H X S+ 0 0 10 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.979 112.5 43.8 -59.0 -60.0 -5.5 -10.3 -40.3 115 137 A K H X S+ 0 0 142 -4,-2.7 4,-1.3 1,-0.2 5,-0.2 0.871 116.0 49.7 -50.8 -44.6 -5.9 -10.7 -44.1 116 138 A N H >X>S+ 0 0 104 -4,-2.2 4,-3.5 -5,-0.2 5,-0.7 0.949 111.2 45.2 -63.3 -53.9 -5.3 -7.0 -44.6 117 139 A E H 3X5S+ 0 0 23 -4,-2.6 4,-0.6 1,-0.2 -1,-0.2 0.778 111.3 55.2 -63.6 -28.5 -2.1 -6.6 -42.5 118 140 A L H 3<5S+ 0 0 42 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.811 121.2 28.8 -73.5 -31.2 -0.7 -9.8 -44.1 119 141 A K H <<5S+ 0 0 89 -4,-1.3 -2,-0.2 -3,-0.5 -3,-0.2 0.891 133.5 28.7 -93.3 -53.1 -1.2 -8.4 -47.6 120 142 A N H <5S+ 0 0 80 -4,-3.5 -3,-0.2 -5,-0.2 -2,-0.1 0.703 110.8 75.7 -84.6 -23.5 -0.8 -4.6 -47.2 121 143 A G << - 0 0 39 -5,-0.7 -4,-0.0 -4,-0.6 -3,-0.0 -0.132 69.0-138.2 -82.3-179.5 1.5 -4.6 -44.2 122 144 A R - 0 0 74 10,-0.0 3,-0.1 -2,-0.0 -3,-0.1 -0.999 23.3-100.5-143.5 140.8 5.2 -5.3 -44.0 123 145 A P - 0 0 59 0, 0.0 3,-0.1 0, 0.0 6,-0.1 -0.330 52.2-104.1 -52.3 137.6 7.5 -7.2 -41.6 124 146 A R > - 0 0 151 1,-0.2 3,-3.0 4,-0.1 2,-0.2 -0.271 49.3 -77.4 -63.2 152.2 9.3 -4.8 -39.3 125 147 A S T 3 S+ 0 0 137 1,-0.3 -1,-0.2 -3,-0.1 3,-0.1 -0.365 125.4 13.0 -52.0 114.5 12.9 -4.0 -39.9 126 148 A G T 3 S+ 0 0 78 1,-0.3 2,-0.4 -2,-0.2 -1,-0.3 0.488 98.6 128.1 92.6 5.6 14.8 -7.1 -38.6 127 149 A E < - 0 0 21 -3,-3.0 -1,-0.3 4,-0.0 2,-0.0 -0.802 52.4-134.7 -98.4 133.6 11.7 -9.2 -38.3 128 150 A T > - 0 0 68 -2,-0.4 4,-2.1 -3,-0.1 -4,-0.1 -0.303 26.8-106.2 -76.5 166.5 11.5 -12.7 -39.9 129 151 A R H > S+ 0 0 137 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.933 120.3 46.9 -56.4 -50.2 8.5 -14.0 -41.9 130 152 A A H > S+ 0 0 18 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.861 111.0 51.7 -64.9 -37.4 7.4 -16.4 -39.2 131 153 A E H > S+ 0 0 60 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.929 110.7 49.4 -62.1 -45.3 7.7 -13.7 -36.5 132 154 A F H X S+ 0 0 5 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.914 112.3 45.9 -58.4 -50.4 5.6 -11.2 -38.6 133 155 A E H X S+ 0 0 54 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.866 113.1 50.2 -65.1 -39.9 2.8 -13.7 -39.3 134 156 A G H X S+ 0 0 3 -4,-2.0 4,-2.2 -5,-0.2 -1,-0.2 0.913 111.8 47.6 -63.6 -45.8 2.7 -14.8 -35.6 135 157 A R H X S+ 0 0 59 -4,-2.3 4,-2.7 2,-0.2 5,-0.2 0.922 110.4 50.5 -63.2 -47.9 2.5 -11.2 -34.3 136 158 A V H X S+ 0 0 3 -4,-2.3 4,-1.0 1,-0.2 -1,-0.2 0.908 111.4 49.5 -61.3 -40.2 -0.3 -10.2 -36.8 137 159 A A H >< S+ 0 0 0 -4,-1.9 3,-0.5 2,-0.2 4,-0.3 0.929 111.2 50.0 -59.5 -46.5 -2.3 -13.2 -35.7 138 160 A K H >< S+ 0 0 80 -4,-2.2 3,-1.4 1,-0.2 -2,-0.2 0.933 110.9 47.9 -57.4 -49.3 -1.8 -12.4 -32.1 139 161 A E H 3< S+ 0 0 79 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.671 100.3 68.7 -67.1 -18.8 -2.9 -8.7 -32.5 140 162 A S T << S+ 0 0 3 -4,-1.0 -30,-3.1 -3,-0.5 -1,-0.3 0.486 82.1 89.8 -85.1 -4.7 -6.0 -9.8 -34.5 141 163 A F B < -K 109 0D 30 -3,-1.4 2,-0.4 -4,-0.3 -32,-0.2 -0.620 63.5-155.1 -82.6 152.9 -7.6 -11.3 -31.4 142 164 A D > - 0 0 82 -34,-2.2 4,-2.1 -2,-0.2 -34,-0.2 -0.875 7.6-172.6-131.1 99.6 -9.9 -9.1 -29.2 143 165 A E H > S+ 0 0 46 -2,-0.4 4,-2.8 1,-0.2 5,-0.2 0.836 84.7 55.4 -67.8 -32.2 -10.0 -10.4 -25.6 144 166 A E H > S+ 0 0 82 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.927 111.7 44.1 -62.8 -44.6 -12.7 -7.9 -24.5 145 167 A K H > S+ 0 0 33 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.850 113.2 52.2 -68.6 -35.2 -15.0 -9.1 -27.4 146 168 A G H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.923 110.9 46.4 -66.0 -45.3 -14.1 -12.8 -26.6 147 169 A F H X S+ 0 0 1 -4,-2.8 4,-2.5 2,-0.2 -2,-0.2 0.910 111.4 52.5 -60.0 -44.2 -15.0 -12.3 -22.9 148 170 A Q H X S+ 0 0 54 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.892 108.1 51.8 -61.3 -40.1 -18.3 -10.5 -23.9 149 171 A R H X S+ 0 0 53 -4,-2.2 4,-2.4 2,-0.2 5,-0.2 0.927 109.7 48.2 -59.8 -47.8 -19.1 -13.5 -26.2 150 172 A A H X S+ 0 0 0 -4,-2.1 4,-2.9 1,-0.2 -2,-0.2 0.912 111.4 51.1 -60.6 -42.7 -18.6 -16.0 -23.4 151 173 A R H X S+ 0 0 58 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.893 110.1 49.1 -60.9 -41.8 -20.8 -13.8 -21.1 152 174 A E H X S+ 0 0 84 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.922 114.6 44.2 -64.5 -46.6 -23.6 -13.7 -23.6 153 175 A V H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.886 112.3 53.2 -66.1 -40.4 -23.5 -17.5 -24.1 154 176 A A H X S+ 0 0 8 -4,-2.9 4,-2.7 -5,-0.2 -2,-0.2 0.907 108.5 49.3 -60.4 -43.0 -23.3 -18.0 -20.4 155 177 A S H X S+ 0 0 66 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.896 111.4 49.7 -64.3 -39.4 -26.4 -15.9 -19.8 156 178 A V H X S+ 0 0 18 -4,-1.9 4,-1.6 2,-0.2 -2,-0.2 0.930 112.6 47.4 -61.2 -45.7 -28.2 -17.8 -22.5 157 179 A M H X S+ 0 0 0 -4,-2.7 4,-1.1 1,-0.2 -2,-0.2 0.876 110.9 51.7 -64.7 -39.2 -27.1 -21.1 -20.8 158 180 A N H X S+ 0 0 48 -4,-2.7 4,-1.0 1,-0.2 3,-0.4 0.905 108.1 50.7 -62.3 -44.7 -28.2 -19.8 -17.4 159 181 A R H < S+ 0 0 41 -4,-2.2 4,-0.4 1,-0.2 3,-0.2 0.853 107.4 56.3 -61.9 -33.9 -31.7 -18.8 -18.6 160 182 A A H < S+ 0 0 0 -4,-1.6 13,-0.2 1,-0.2 -1,-0.2 0.770 110.0 42.8 -68.6 -30.3 -32.0 -22.3 -20.1 161 183 A L H >< S+ 0 0 8 -4,-1.1 3,-1.5 -3,-0.4 -1,-0.2 0.649 87.3 100.8 -90.2 -12.1 -31.4 -24.1 -16.8 162 184 A E T 3< S+ 0 0 129 -4,-1.0 -2,-0.1 1,-0.3 -1,-0.1 0.827 102.9 6.2 -44.0 -59.3 -33.6 -21.7 -14.8 163 185 A N T 3 S+ 0 0 123 -4,-0.4 2,-0.5 -3,-0.1 -1,-0.3 0.022 100.8 119.7-117.5 29.8 -36.7 -23.9 -14.5 164 186 A A < - 0 0 1 -3,-1.5 51,-1.9 1,-0.1 3,-0.0 -0.840 36.4-177.3 -99.7 123.4 -35.4 -27.1 -16.0 165 187 A H + 0 0 118 -2,-0.5 2,-0.3 49,-0.2 -1,-0.1 0.454 69.1 31.4-104.5 -2.4 -35.4 -30.1 -13.8 166 188 A D S > S- 0 0 83 47,-0.1 4,-1.6 1,-0.1 3,-0.2 -0.952 87.1-105.3-142.0 166.3 -33.7 -32.6 -16.2 167 189 A E H > S+ 0 0 45 45,-0.3 4,-2.9 -2,-0.3 5,-0.2 0.847 116.3 57.0 -58.4 -37.9 -31.1 -32.4 -19.0 168 190 A S H > S+ 0 0 77 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.917 106.9 48.7 -63.7 -42.8 -33.7 -32.8 -21.8 169 191 A A H > S+ 0 0 29 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.855 112.2 49.5 -61.3 -39.9 -35.7 -29.8 -20.5 170 192 A Y H X S+ 0 0 0 -4,-1.6 4,-2.9 2,-0.2 -2,-0.2 0.940 112.1 47.3 -63.1 -49.1 -32.5 -27.7 -20.3 171 193 A L H X S+ 0 0 34 -4,-2.9 4,-2.8 2,-0.2 -2,-0.2 0.900 112.1 50.6 -61.0 -41.6 -31.5 -28.8 -23.9 172 194 A D H X S+ 0 0 107 -4,-2.7 4,-2.1 2,-0.2 -1,-0.2 0.909 113.2 44.9 -62.2 -45.8 -35.0 -28.0 -25.1 173 195 A N H X S+ 0 0 67 -4,-2.3 4,-2.4 -13,-0.2 -2,-0.2 0.899 113.8 51.2 -60.8 -44.4 -34.9 -24.5 -23.5 174 196 A L H X S+ 0 0 0 -4,-2.9 4,-2.2 2,-0.2 -2,-0.2 0.937 111.2 46.0 -62.3 -48.8 -31.4 -23.9 -24.8 175 197 A K H X S+ 0 0 68 -4,-2.8 4,-2.7 2,-0.2 -1,-0.2 0.908 113.2 49.1 -61.2 -46.9 -32.3 -24.8 -28.4 176 198 A K H X S+ 0 0 51 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.901 112.9 49.1 -59.4 -42.9 -35.5 -22.7 -28.4 177 199 A E H X S+ 0 0 70 -4,-2.4 4,-1.0 2,-0.2 -2,-0.2 0.879 113.4 45.2 -62.8 -41.8 -33.5 -19.8 -27.0 178 200 A L H <>S+ 0 0 4 -4,-2.2 5,-2.2 2,-0.2 3,-0.2 0.893 111.8 51.9 -72.8 -41.2 -30.7 -20.1 -29.6 179 201 A A H ><5S+ 0 0 53 -4,-2.7 3,-1.8 1,-0.2 -2,-0.2 0.940 108.4 52.1 -54.9 -51.6 -33.1 -20.5 -32.5 180 202 A N H 3<5S+ 0 0 140 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.753 111.0 46.7 -59.1 -31.2 -35.0 -17.3 -31.4 181 203 A G T 3<5S- 0 0 58 -4,-1.0 -1,-0.3 -3,-0.2 -2,-0.2 0.249 108.4-122.1 -96.2 11.2 -31.8 -15.3 -31.3 182 204 A N T < 5 + 0 0 94 -3,-1.8 2,-0.4 1,-0.2 -3,-0.2 0.770 52.4 167.9 49.7 33.4 -30.6 -16.6 -34.7 183 205 A D > < - 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