==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/DNA 05-AUG-98 7MHT . COMPND 2 MOLECULE: 5'-D(P*GP*TP*CP*AP*GP*CP*GP*CP*AP*TP*GP*G)-3'; . SOURCE 2 SYNTHETIC: YES; . AUTHOR M.O'GARA,J.R.HORTON,R.J.ROBERTS,X.CHENG . 328 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) . 219 66.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 25 7.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 31 9.5 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 . 1 0.3 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 . 27 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 47 14.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 68 20.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.8 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 0 0 0 2 0 0 1 2 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 1 2 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 0 PARALLEL BRIDGES PER LADDER . 2 1 2 0 0 1 1 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 . 0 0 0 0 1 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 1 A M 0 0 94 0, 0.0 2,-0.2 0, 0.0 283,-0.1 0.000 360.0 360.0 360.0 164.4 -29.8 33.0 72.2 2 2 A I - 0 0 74 306,-0.0 2,-0.5 307,-0.0 310,-0.0 -0.471 360.0-108.3 -95.7 167.0 -29.9 33.5 68.4 3 3 A E - 0 0 163 -2,-0.2 2,-0.5 2,-0.0 -1,-0.0 -0.880 24.4-155.8-104.1 123.8 -30.0 30.8 65.7 4 4 A I + 0 0 28 -2,-0.5 3,-0.1 26,-0.2 308,-0.0 -0.840 17.0 173.1 -97.6 125.0 -26.9 30.1 63.6 5 5 A K S S+ 0 0 193 -2,-0.5 2,-1.0 1,-0.2 -1,-0.2 0.819 70.5 61.3 -94.9 -38.1 -27.5 28.6 60.1 6 6 A D S S- 0 0 88 1,-0.1 2,-2.2 2,-0.0 -1,-0.2 -0.778 77.9-152.9 -91.6 96.0 -23.9 28.8 58.7 7 7 A K > + 0 0 109 -2,-1.0 3,-1.5 1,-0.2 24,-0.1 -0.367 19.6 175.4 -76.3 76.4 -21.9 26.6 61.1 8 8 A Q T 3 + 0 0 39 -2,-2.2 -1,-0.2 1,-0.3 24,-0.1 0.596 69.9 52.4 -54.2 -20.0 -18.4 28.1 60.8 9 9 A L T > + 0 0 3 22,-1.9 3,-1.7 19,-0.1 -1,-0.3 0.196 67.9 144.9-110.2 21.2 -16.7 26.0 63.4 10 10 A T T < + 0 0 103 -3,-1.5 23,-0.2 21,-0.3 3,-0.1 -0.274 69.7 22.4 -59.2 137.5 -17.5 22.4 62.5 11 11 A G T 3 S+ 0 0 66 21,-0.9 -1,-0.2 1,-0.3 2,-0.2 0.311 93.8 115.9 90.8 -9.6 -14.6 20.1 63.3 12 12 A L < - 0 0 38 -3,-1.7 22,-2.5 20,-0.1 2,-0.3 -0.624 50.7-144.0 -96.3 157.3 -12.8 22.1 65.9 13 13 A R E +a 34 0A 100 -2,-0.2 60,-2.0 20,-0.2 61,-1.4 -0.889 19.4 175.1-118.2 150.2 -12.2 21.2 69.6 14 14 A F E -ab 35 74A 0 20,-2.3 22,-2.2 -2,-0.3 23,-0.5 -0.915 22.3-129.1-147.8 168.2 -12.2 23.4 72.7 15 15 A I E -ab 37 75A 0 59,-1.2 61,-1.8 -2,-0.3 2,-0.8 -0.975 13.7-139.3-126.1 141.5 -11.9 23.4 76.5 16 16 A D E > -ab 38 76A 1 21,-2.3 23,-2.1 -2,-0.4 3,-0.6 -0.802 23.8-175.1-101.9 93.3 -14.2 25.1 79.1 17 17 A L E 3 S+ab 39 77A 2 59,-1.9 61,-0.8 -2,-0.8 23,-0.1 -0.703 73.1 10.6 -92.1 142.9 -12.1 26.6 82.0 18 18 A F T 3 S- 0 0 3 21,-0.8 -1,-0.3 -2,-0.3 22,-0.2 0.915 87.7-172.9 57.3 44.2 -13.8 28.2 85.0 19 19 A A X + 0 0 1 20,-2.3 3,-2.0 -3,-0.6 4,-0.5 0.641 13.3 168.4 -42.7 -37.9 -16.9 26.7 83.5 20 20 A G T 3 S- 0 0 7 1,-0.3 -1,-0.2 309,-0.2 29,-0.1 -0.281 76.6 -15.8 54.8-128.8 -19.7 28.1 85.7 21 21 A L T 3 S- 0 0 4 280,-0.2 -1,-0.3 27,-0.1 -2,-0.1 0.647 100.3-100.4 -80.3 -17.5 -23.0 27.3 84.0 22 22 A G <> + 0 0 0 -3,-2.0 4,-1.9 3,-0.1 5,-0.2 0.723 69.2 149.5 101.8 28.3 -21.5 26.5 80.6 23 23 A G H > S+ 0 0 0 306,-1.5 4,-1.5 -4,-0.5 5,-0.1 0.873 74.6 50.4 -61.1 -39.9 -22.2 29.8 78.8 24 24 A F H > S+ 0 0 0 305,-0.5 4,-2.0 -5,-0.3 -1,-0.2 0.852 108.7 54.5 -67.4 -31.7 -19.1 29.4 76.6 25 25 A R H > S+ 0 0 18 -6,-0.2 4,-2.7 2,-0.2 5,-0.3 0.914 105.3 50.1 -69.4 -44.3 -20.2 25.9 75.7 26 26 A L H X S+ 0 0 31 -4,-1.9 4,-1.9 1,-0.2 -2,-0.2 0.955 113.0 47.3 -57.6 -50.1 -23.7 26.8 74.5 27 27 A A H < S+ 0 0 0 -4,-1.5 4,-0.4 1,-0.2 -2,-0.2 0.917 116.3 42.5 -58.2 -49.4 -22.3 29.5 72.2 28 28 A L H ><>S+ 0 0 2 -4,-2.0 5,-1.6 1,-0.2 3,-1.2 0.891 111.8 52.7 -70.4 -38.3 -19.5 27.4 70.7 29 29 A E H ><5S+ 0 0 73 -4,-2.7 3,-1.9 1,-0.3 -1,-0.2 0.858 100.1 63.4 -65.9 -31.1 -21.6 24.2 70.2 30 30 A S T 3<5S+ 0 0 22 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.736 103.0 50.4 -65.9 -18.0 -24.2 26.3 68.3 31 31 A C T < 5S- 0 0 0 -3,-1.2 -22,-1.9 -4,-0.4 -21,-0.3 0.351 126.9 -98.9 -98.3 1.7 -21.5 27.0 65.7 32 32 A G T < 5S+ 0 0 23 -3,-1.9 -21,-0.9 1,-0.2 -3,-0.2 0.446 76.0 135.3 99.1 2.0 -20.5 23.3 65.4 33 33 A A < - 0 0 11 -5,-1.6 2,-0.4 -23,-0.2 -1,-0.2 -0.233 46.3-124.5 -79.3 172.0 -17.5 23.0 67.6 34 34 A E E -a 13 0A 123 -22,-2.5 -20,-2.3 -25,-0.2 2,-0.4 -0.964 7.2-138.0-127.0 138.3 -16.8 20.2 70.1 35 35 A C E +a 14 0A 18 -2,-0.4 -20,-0.2 -22,-0.2 3,-0.1 -0.781 24.8 166.2 -95.2 130.7 -16.0 20.2 73.9 36 36 A V E + 0 0 49 -22,-2.2 2,-0.3 -2,-0.4 -21,-0.2 0.426 63.5 14.9-122.2 -3.0 -13.3 17.8 75.2 37 37 A Y E -a 15 0A 24 -23,-0.5 -21,-2.3 32,-0.1 -1,-0.3 -0.950 56.0-176.1-168.1 149.9 -12.5 19.0 78.7 38 38 A S E -a 16 0A 6 -2,-0.3 20,-1.7 -23,-0.2 2,-0.3 -0.978 5.2-164.0-150.9 158.2 -14.0 21.3 81.4 39 39 A N E +ac 17 58A 5 -23,-2.1 -20,-2.3 -2,-0.3 -21,-0.8 -0.964 21.1 145.0-152.7 129.7 -13.0 22.5 84.9 40 40 A E - 0 0 2 18,-2.5 20,-0.1 -2,-0.3 -2,-0.0 -0.837 24.4-162.4-164.7 127.4 -15.0 24.1 87.7 41 41 A W + 0 0 137 -2,-0.3 2,-0.4 18,-0.2 19,-0.1 0.662 54.3 107.6 -92.4 -19.5 -14.5 23.7 91.4 42 42 A D > - 0 0 39 1,-0.1 4,-2.3 17,-0.1 3,-0.3 -0.470 64.1-140.0 -66.5 123.0 -17.8 24.9 93.0 43 43 A K H > S+ 0 0 118 -2,-0.4 4,-1.0 1,-0.2 -1,-0.1 0.861 99.8 40.0 -46.3 -51.5 -19.9 22.0 94.3 44 44 A Y H > S+ 0 0 91 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.795 109.4 57.2 -75.3 -30.1 -23.2 23.4 93.2 45 45 A A H > S+ 0 0 6 -3,-0.3 4,-2.0 1,-0.2 -2,-0.2 0.914 105.0 55.8 -66.1 -36.9 -22.0 24.8 89.8 46 46 A Q H X S+ 0 0 29 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.847 103.3 54.3 -62.2 -36.1 -20.9 21.2 89.1 47 47 A E H X S+ 0 0 65 -4,-1.0 4,-2.2 -5,-0.2 -1,-0.2 0.944 109.6 45.2 -65.7 -48.9 -24.5 19.9 89.8 48 48 A V H X S+ 0 0 0 -4,-1.7 4,-2.0 2,-0.2 5,-0.2 0.879 111.7 53.1 -61.0 -40.6 -26.2 22.2 87.2 49 49 A Y H X>S+ 0 0 1 -4,-2.0 4,-3.4 2,-0.2 5,-0.7 0.958 111.1 46.3 -58.9 -48.7 -23.5 21.5 84.6 50 50 A E H X5S+ 0 0 94 -4,-2.1 4,-1.3 1,-0.2 -2,-0.2 0.886 109.1 55.8 -60.5 -41.0 -24.1 17.7 85.0 51 51 A M H <5S+ 0 0 86 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.902 120.6 28.8 -57.8 -44.9 -27.9 18.2 84.9 52 52 A N H <5S+ 0 0 46 -4,-2.0 -2,-0.2 -5,-0.1 -1,-0.2 0.859 134.4 24.7 -87.9 -42.4 -27.7 19.9 81.5 53 53 A F H <5S- 0 0 39 -4,-3.4 -3,-0.2 -5,-0.2 -2,-0.2 0.696 94.9-123.8-100.1 -24.1 -24.6 18.5 79.8 54 54 A G S < - 0 0 42 1,-0.1 3,-1.6 -19,-0.1 -1,-0.2 0.369 50.9-156.8 -16.1 107.0 -9.1 22.9 91.2 61 61 A I G > S+ 0 0 8 1,-0.3 3,-1.1 2,-0.1 -1,-0.1 0.727 85.5 72.0 -63.7 -25.2 -7.1 24.2 88.2 62 62 A T G 3 S+ 0 0 71 1,-0.3 -1,-0.3 3,-0.0 -2,-0.1 0.525 103.2 39.7 -73.9 -5.0 -4.2 25.2 90.4 63 63 A Q G < S+ 0 0 163 -3,-1.6 2,-0.5 -4,-0.1 -1,-0.3 -0.090 87.7 108.3-134.4 40.7 -3.2 21.6 91.1 64 64 A V S < S- 0 0 14 -3,-1.1 2,-0.6 -5,-0.0 5,-0.0 -0.964 71.6-120.3-117.9 128.3 -3.7 20.0 87.7 65 65 A N >> - 0 0 92 -2,-0.5 3,-2.4 1,-0.1 4,-0.6 -0.595 17.7-139.4 -73.0 118.1 -0.7 19.0 85.7 66 66 A E T 34 S+ 0 0 39 -2,-0.6 -1,-0.1 1,-0.3 3,-0.1 0.564 96.8 64.9 -53.9 -12.4 -0.8 20.9 82.4 67 67 A K T 34 S+ 0 0 136 1,-0.2 -1,-0.3 43,-0.0 -2,-0.0 0.622 89.9 64.3 -89.9 -11.5 0.3 17.8 80.4 68 68 A T T <4 S+ 0 0 97 -3,-2.4 -1,-0.2 2,-0.1 -2,-0.2 0.801 80.6 104.6 -75.7 -33.5 -2.7 15.8 81.3 69 69 A I S < S- 0 0 3 -4,-0.6 3,-0.1 1,-0.1 -32,-0.1 -0.216 77.3-113.1 -55.0 132.1 -4.9 18.2 79.3 70 70 A P - 0 0 54 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.194 35.1 -91.0 -65.8 158.5 -6.1 17.0 75.9 71 71 A D + 0 0 108 -35,-0.0 2,-0.3 2,-0.0 41,-0.1 -0.534 58.2 170.2 -70.3 134.6 -5.0 18.5 72.6 72 72 A H - 0 0 10 39,-0.3 42,-0.3 -2,-0.2 -58,-0.2 -0.970 39.9-141.3-146.7 164.0 -7.4 21.4 71.6 73 73 A D S S+ 0 0 18 -60,-2.0 42,-2.1 -2,-0.3 41,-0.6 0.734 86.3 31.2 -99.0 -29.5 -7.9 24.2 69.1 74 74 A I E -bd 14 115A 4 -61,-1.4 -59,-1.2 40,-0.2 2,-0.5 -0.998 64.3-150.6-135.5 135.1 -9.5 27.0 71.1 75 75 A L E -bd 15 116A 0 40,-2.3 42,-3.3 -2,-0.4 2,-0.4 -0.948 15.0-164.7-107.8 122.4 -9.0 27.8 74.8 76 76 A C E +bd 16 117A 0 -61,-1.8 -59,-1.9 -2,-0.5 2,-0.3 -0.899 16.3 159.5-107.6 135.4 -12.0 29.5 76.6 77 77 A A E -bd 17 118A 0 40,-2.0 42,-1.1 -2,-0.4 2,-0.7 -0.849 28.3-176.7-163.2 121.5 -11.8 31.2 80.0 78 78 A G - 0 0 3 -61,-0.8 3,-0.1 -2,-0.3 42,-0.1 -0.752 35.4-160.8-112.1 77.2 -13.8 33.8 81.9 79 79 A F - 0 0 9 -2,-0.7 -2,-0.1 1,-0.1 19,-0.0 -0.135 31.6 -66.8 -62.4 155.0 -11.4 34.1 84.9 80 80 A P - 0 0 6 0, 0.0 -1,-0.1 0, 0.0 21,-0.1 -0.083 40.8-169.7 -44.5 134.3 -12.4 35.5 88.4 81 81 A C >> + 0 0 40 -3,-0.1 3,-2.2 1,-0.1 4,-2.1 0.537 57.2 98.6-106.4 -11.8 -13.2 39.2 88.6 82 82 A Q T 34 S+ 0 0 62 1,-0.3 8,-0.4 2,-0.2 7,-0.2 0.848 84.2 52.2 -47.5 -43.7 -13.5 40.0 92.3 83 83 A A T 34 S+ 0 0 1 14,-0.3 9,-2.0 1,-0.2 -1,-0.3 0.548 119.9 33.8 -73.9 -5.2 -9.9 41.5 92.5 84 84 A F T <4 S+ 0 0 2 -3,-2.2 -2,-0.2 7,-0.1 -1,-0.2 0.580 88.4 113.2-123.5 -17.9 -10.5 43.8 89.6 85 85 A S >< - 0 0 27 -4,-2.1 3,-1.1 1,-0.1 5,-0.4 -0.181 68.5-127.8 -59.9 151.7 -14.2 44.9 89.7 86 86 A I T 3 S+ 0 0 133 1,-0.2 -1,-0.1 3,-0.1 -4,-0.0 0.587 107.8 60.8 -75.7 -10.3 -15.2 48.5 90.5 87 87 A S T 3 S+ 0 0 77 -5,-0.0 -1,-0.2 2,-0.0 -2,-0.1 0.534 102.6 58.6 -95.0 -4.7 -17.5 47.2 93.3 88 88 A G S < S- 0 0 43 -3,-1.1 -5,-0.1 -6,-0.1 -6,-0.0 -0.008 103.0 -80.3-105.0-153.4 -14.6 45.6 95.3 89 89 A K - 0 0 185 -7,-0.2 -6,-0.1 -2,-0.0 -3,-0.1 0.371 51.8-132.6 -94.9 -0.7 -11.4 46.6 97.0 90 90 A Q + 0 0 90 -5,-0.4 -7,-0.1 -8,-0.4 38,-0.1 0.712 50.1 151.1 52.9 37.5 -9.3 46.6 93.8 91 91 A K > + 0 0 114 1,-0.2 3,-2.0 -9,-0.1 4,-0.2 0.433 24.6 179.7 -76.5 -2.5 -6.3 44.5 95.2 92 92 A G G > + 0 0 2 -9,-2.0 3,-1.9 1,-0.2 6,-0.2 0.065 63.2 4.1 42.7-134.4 -5.3 43.0 91.8 93 93 A F G 3 S+ 0 0 68 1,-0.3 -1,-0.2 5,-0.1 6,-0.1 0.497 123.4 67.9 -60.6 -7.3 -2.4 40.6 91.7 94 94 A E G < S+ 0 0 175 -3,-2.0 2,-0.4 -11,-0.1 -1,-0.3 0.309 85.9 86.9 -92.5 2.6 -1.9 40.8 95.5 95 95 A D S X> S- 0 0 22 -3,-1.9 3,-2.9 -4,-0.2 4,-0.7 -0.900 82.0-132.6-105.2 134.4 -5.2 38.9 95.9 96 96 A S T 34 S+ 0 0 107 -2,-0.4 -1,-0.1 1,-0.3 -3,-0.1 0.520 112.0 52.6 -63.2 -4.1 -5.3 35.1 95.8 97 97 A R T 34 S+ 0 0 115 -5,-0.2 -1,-0.3 2,-0.1 -14,-0.3 0.302 100.0 64.7-108.7 2.2 -8.2 35.4 93.4 98 98 A G T <4 S+ 0 0 3 -3,-2.9 3,-0.5 -6,-0.2 -2,-0.2 0.639 87.7 66.0-100.0 -15.1 -6.2 37.7 91.1 99 99 A T >< + 0 0 58 -4,-0.7 3,-1.2 1,-0.2 4,-0.4 0.424 66.1 102.3 -86.9 -2.3 -3.4 35.3 90.0 100 100 A L T >> + 0 0 18 1,-0.2 3,-2.2 2,-0.2 4,-1.0 0.871 68.4 71.0 -53.2 -35.7 -5.6 32.9 88.0 101 101 A F H >> S+ 0 0 3 -3,-0.5 4,-1.8 1,-0.3 3,-1.1 0.871 90.9 59.0 -48.6 -44.0 -4.4 34.4 84.8 102 102 A F H <> S+ 0 0 94 -3,-1.2 4,-1.6 1,-0.3 -1,-0.3 0.658 97.8 58.2 -62.8 -19.5 -1.0 32.9 85.2 103 103 A D H <> S+ 0 0 20 -3,-2.2 4,-1.7 -4,-0.4 -1,-0.3 0.791 105.4 52.5 -78.0 -28.4 -2.4 29.3 85.3 104 104 A I H XX S+ 0 0 1 -3,-1.1 4,-2.8 -4,-1.0 3,-0.6 0.980 108.6 48.1 -67.0 -54.0 -3.8 30.1 81.9 105 105 A A H 3X S+ 0 0 7 -4,-1.8 4,-2.2 1,-0.3 -2,-0.2 0.866 109.2 55.6 -52.8 -40.8 -0.4 31.2 80.6 106 106 A R H 3X S+ 0 0 52 -4,-1.6 4,-0.6 1,-0.2 -1,-0.3 0.891 111.0 42.6 -59.8 -43.8 1.0 28.0 82.1 107 107 A I H XX S+ 0 0 1 -4,-1.7 4,-2.1 -3,-0.6 3,-0.6 0.872 110.7 57.6 -70.6 -40.5 -1.4 25.8 80.1 108 108 A V H 3X S+ 0 0 0 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.943 98.1 58.4 -57.4 -50.2 -1.0 27.8 77.0 109 109 A R H 3< S+ 0 0 157 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.780 113.6 40.1 -51.9 -30.4 2.8 27.3 76.8 110 110 A E H << S+ 0 0 82 -4,-0.6 -1,-0.2 -3,-0.6 -2,-0.2 0.876 121.9 34.3 -87.7 -47.7 2.3 23.5 76.7 111 111 A K H < S- 0 0 37 -4,-2.1 -39,-0.3 -40,-0.0 -2,-0.2 0.582 82.3-156.7 -87.2 -11.6 -0.7 22.9 74.4 112 112 A K < - 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0 0 2 -4,-0.8 2,-0.3 -3,-0.6 -3,-0.1 0.210 69.5-112.5 -75.9-173.5 -22.1 34.3 83.8 306 306 A V - 0 0 3 23,-0.4 2,-0.7 -23,-0.1 -1,-0.1 -0.832 31.1-105.1-117.3 159.4 -21.8 35.7 80.3 307 307 A V > - 0 0 3 -2,-0.3 4,-1.4 1,-0.1 3,-0.2 -0.774 26.9-149.9 -89.5 115.4 -24.4 36.9 77.8 308 308 A I H > S+ 0 0 0 -25,-1.5 4,-2.4 -2,-0.7 3,-0.2 0.858 88.7 58.2 -51.0 -51.6 -24.8 34.2 75.0 309 309 A N H > S+ 0 0 11 1,-0.2 4,-2.1 2,-0.2 3,-0.3 0.945 106.4 48.3 -50.2 -51.9 -25.8 36.4 72.1 310 310 A V H > S+ 0 0 2 1,-0.2 4,-1.7 -3,-0.2 -1,-0.2 0.860 112.0 50.2 -58.5 -36.7 -22.6 38.5 72.3 311 311 A L H X S+ 0 0 0 -4,-1.4 4,-1.8 -3,-0.2 -1,-0.2 0.880 108.5 53.2 -69.8 -36.8 -20.5 35.3 72.5 312 312 A Q H X S+ 0 0 0 -4,-2.4 4,-2.2 -3,-0.3 -2,-0.2 0.954 107.5 48.5 -63.5 -53.2 -22.2 33.9 69.5 313 313 A Y H X S+ 0 0 55 -4,-2.1 4,-1.6 1,-0.2 -1,-0.2 0.914 114.2 48.0 -53.9 -44.0 -21.6 36.9 67.2 314 314 A I H X S+ 0 0 0 -4,-1.7 4,-1.7 -5,-0.2 -1,-0.2 0.846 109.3 53.1 -67.7 -33.9 -17.9 36.9 68.2 315 315 A A H X S+ 0 0 2 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.887 105.1 54.1 -69.2 -37.4 -17.5 33.1 67.7 316 316 A Y H X S+ 0 0 67 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.938 109.4 49.0 -60.1 -47.3 -18.9 33.3 64.1 317 317 A N H X S+ 0 0 35 -4,-1.6 4,-1.9 1,-0.2 -1,-0.2 0.854 105.9 55.8 -62.4 -37.4 -16.3 36.0 63.3 318 318 A I H X S+ 0 0 3 -4,-1.7 4,-1.5 1,-0.2 -1,-0.2 0.923 111.2 45.6 -62.4 -41.5 -13.4 33.9 64.7 319 319 A G H X S+ 0 0 0 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.905 107.2 56.5 -68.9 -40.7 -14.4 31.1 62.4 320 320 A S H X S+ 0 0 43 -4,-2.2 4,-0.6 1,-0.2 -1,-0.2 0.913 108.2 48.6 -57.4 -43.7 -14.8 33.3 59.3 321 321 A S H >< S+ 0 0 8 -4,-1.9 3,-0.6 1,-0.2 -1,-0.2 0.871 111.0 49.9 -64.2 -39.5 -11.2 34.5 59.7 322 322 A L H 3< S+ 0 0 28 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.817 109.3 52.5 -69.5 -29.7 -9.8 31.0 60.1 323 323 A N H 3< S+ 0 0 86 -4,-2.0 2,-1.4 -5,-0.1 -1,-0.2 0.525 82.7 94.9 -86.1 -7.4 -11.7 29.8 57.0 324 324 A F << + 0 0 140 -3,-0.6 -1,-0.1 -4,-0.6 -4,-0.0 -0.679 42.8 142.8 -88.0 88.4 -10.4 32.4 54.6 325 325 A K + 0 0 172 -2,-1.4 -1,-0.1 0, 0.0 -3,-0.0 -0.577 23.2 176.0-129.1 73.9 -7.4 30.7 53.0 326 326 A P 0 0 88 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 -0.148 360.0 360.0 -72.6 168.0 -7.2 31.7 49.3 327 327 A Y 0 0 304 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.670 360.0 360.0 -84.7 360.0 -4.4 30.7 46.9 328 ! 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 0.0 329 328 A X 0 0 67 0, 0.0 -306,-1.5 0, 0.0 -305,-0.5 0.000 360.0 360.0 360.0 360.0 -18.7 31.1 83.3