==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/DNA 08-AUG-07 2Z6Q . COMPND 2 MOLECULE: MODIFICATION METHYLASE HHAI; . SOURCE 2 ORGANISM_SCIENTIFIC: HAEMOPHILUS PARAHAEMOLYTICUS; . AUTHOR F.K.SHIEH . 328 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14766.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 216 65.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 22 6.7 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 . 30 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 44 13.4 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 . 7 2.1 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 1 1 1 0 2 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 1 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 0 PARALLEL BRIDGES PER LADDER . 1 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 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 1 A M 0 0 81 0, 0.0 2,-0.1 0, 0.0 283,-0.1 0.000 360.0 360.0 360.0 167.7 -28.9 29.8 70.6 2 2 A I - 0 0 65 282,-0.0 2,-0.4 1,-0.0 310,-0.0 -0.441 360.0-115.9 -86.0 161.3 -28.9 30.4 66.8 3 3 A E - 0 0 155 -2,-0.1 2,-0.5 1,-0.0 -1,-0.0 -0.835 19.6-162.4-100.2 138.7 -29.1 27.7 64.2 4 4 A I - 0 0 19 -2,-0.4 -2,-0.0 1,-0.2 -1,-0.0 -0.794 2.7-170.8-122.5 89.4 -26.1 27.1 61.8 5 5 A K S S+ 0 0 177 -2,-0.5 2,-0.5 1,-0.1 -1,-0.2 0.895 76.0 45.7 -40.8 -70.3 -27.2 25.0 58.7 6 6 A D S S- 0 0 82 1,-0.1 2,-1.0 2,-0.0 -1,-0.1 -0.726 84.0-142.8 -84.4 124.7 -23.8 24.4 57.2 7 7 A K > - 0 0 95 -2,-0.5 3,-1.6 1,-0.2 24,-0.1 -0.715 17.0-174.7 -94.3 92.3 -21.3 23.3 59.8 8 8 A Q T 3 S+ 0 0 37 -2,-1.0 -1,-0.2 1,-0.3 24,-0.1 0.877 80.4 59.3 -49.2 -46.3 -17.9 24.8 59.1 9 9 A L T > S+ 0 0 0 22,-1.2 3,-1.4 19,-0.2 -1,-0.3 0.195 72.0 140.1 -76.6 21.2 -16.2 22.9 62.0 10 10 A T T < S+ 0 0 100 -3,-1.6 23,-0.2 21,-0.3 3,-0.1 -0.417 71.3 17.7 -66.3 138.2 -17.0 19.5 60.7 11 11 A G T 3 S+ 0 0 65 21,-0.8 2,-0.3 1,-0.3 -1,-0.2 0.128 98.8 115.8 89.0 -20.6 -14.2 17.0 61.2 12 12 A L < - 0 0 23 -3,-1.4 22,-2.6 20,-0.1 2,-0.4 -0.645 54.2-146.6 -87.4 141.2 -12.4 19.2 63.8 13 13 A R E -a 34 0A 85 -2,-0.3 60,-2.2 20,-0.2 61,-2.0 -0.847 17.5-166.0-105.7 139.5 -11.9 18.1 67.4 14 14 A F E -ab 35 74A 0 20,-3.0 22,-2.9 -2,-0.4 2,-0.4 -0.818 17.8-131.6-127.6 168.0 -11.9 20.4 70.4 15 15 A I E - b 0 75A 0 59,-2.0 61,-2.2 -2,-0.3 2,-0.9 -0.954 10.5-150.8-117.2 131.9 -11.0 20.7 74.1 16 16 A D E > +ab 38 76A 0 21,-3.5 23,-2.5 -2,-0.4 3,-0.8 -0.649 25.2 178.4-103.4 74.6 -13.4 22.1 76.6 17 17 A L E 3 S+ b 0 77A 1 59,-1.8 61,-0.8 -2,-0.9 23,-0.1 -0.481 71.5 13.1 -77.0 148.9 -11.1 23.6 79.3 18 18 A F T 3 S- 0 0 3 21,-0.2 -1,-0.3 59,-0.2 22,-0.2 0.935 89.7-176.3 50.1 43.6 -12.6 25.3 82.3 19 19 A A X> + 0 0 0 20,-3.0 3,-1.7 -3,-0.8 4,-0.6 0.850 14.8 161.3 -38.5 -63.3 -15.7 23.7 81.0 20 20 A G T 34 S- 0 0 3 1,-0.3 -1,-0.2 309,-0.2 29,-0.1 -0.587 80.1 -11.2 72.7-124.3 -18.3 25.0 83.4 21 21 A L T 34 S- 0 0 0 -2,-0.4 -1,-0.3 280,-0.2 -2,-0.1 0.651 102.2-104.8 -82.4 -16.6 -21.7 24.6 81.7 22 22 A G T <> + 0 0 0 -3,-1.7 4,-2.4 -4,-0.2 5,-0.2 0.797 62.7 157.6 95.7 34.8 -20.1 23.7 78.4 23 23 A G H X S+ 0 0 0 306,-1.1 4,-2.5 -4,-0.6 5,-0.2 0.950 77.5 46.4 -55.4 -52.3 -20.8 26.9 76.6 24 24 A F H > S+ 0 0 0 305,-0.4 4,-2.7 -5,-0.3 5,-0.4 0.811 109.0 58.5 -62.0 -27.6 -18.0 26.4 74.1 25 25 A R H > S+ 0 0 18 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.965 109.3 41.6 -65.3 -51.0 -19.3 22.8 73.7 26 26 A L H X S+ 0 0 26 -4,-2.4 4,-1.2 2,-0.2 -2,-0.2 0.867 117.9 48.8 -62.9 -38.3 -22.8 24.0 72.6 27 27 A A H X S+ 0 0 0 -4,-2.5 4,-0.8 -5,-0.2 -2,-0.2 0.982 119.3 35.0 -65.3 -59.0 -21.2 26.7 70.5 28 28 A L H ><>S+ 0 0 0 -4,-2.7 3,-2.0 1,-0.2 5,-1.2 0.955 112.1 58.6 -61.2 -56.4 -18.6 24.5 68.7 29 29 A E H ><5S+ 0 0 71 -4,-2.6 3,-2.3 -5,-0.4 -1,-0.2 0.853 101.1 57.1 -43.8 -44.6 -20.7 21.3 68.4 30 30 A S H 3<5S+ 0 0 23 -4,-1.2 -1,-0.3 -5,-0.3 -2,-0.2 0.849 103.4 55.0 -58.2 -33.4 -23.4 23.2 66.5 31 31 A C T <<5S- 0 0 0 -3,-2.0 -22,-1.2 -4,-0.8 -21,-0.3 0.395 129.7 -96.2 -81.5 3.9 -20.7 24.1 64.0 32 32 A G T < 5S+ 0 0 20 -3,-2.3 -21,-0.8 -4,-0.3 -3,-0.2 0.479 76.2 140.5 99.3 2.7 -19.8 20.5 63.5 33 33 A A < - 0 0 7 -5,-1.2 2,-0.5 -23,-0.2 -1,-0.3 -0.387 44.8-133.2 -80.8 158.3 -16.9 20.0 65.9 34 34 A E E -a 13 0A 116 -22,-2.6 -20,-3.0 -25,-0.2 2,-0.5 -0.948 13.6-138.2-114.5 123.8 -16.2 17.0 68.1 35 35 A C E +a 14 0A 20 -2,-0.5 -20,-0.2 -22,-0.2 3,-0.1 -0.695 23.4 175.2 -82.7 124.5 -15.3 17.5 71.8 36 36 A V E + 0 0 29 -22,-2.9 2,-0.2 -2,-0.5 -21,-0.2 0.165 63.5 8.7-116.6 18.8 -12.5 15.1 72.8 37 37 A Y E - 0 0 29 -23,-0.4 -21,-3.5 32,-0.1 2,-0.3 -0.700 56.0-168.0 168.6 138.1 -11.8 16.3 76.4 38 38 A S E -a 16 0A 7 -23,-0.2 20,-1.7 -2,-0.2 2,-0.4 -0.964 5.5-160.5-137.2 153.3 -13.2 18.6 79.0 39 39 A N B +f 58 0B 3 -23,-2.5 -20,-3.0 -2,-0.3 2,-0.2 -0.997 22.5 145.1-140.5 133.9 -11.9 19.9 82.3 40 40 A E - 0 0 0 18,-2.0 20,-0.1 -2,-0.4 -2,-0.0 -0.800 24.1-165.4-167.7 121.3 -13.6 21.5 85.3 41 41 A W + 0 0 137 -2,-0.2 2,-0.5 18,-0.2 19,-0.1 0.522 57.6 103.9 -92.7 -5.5 -12.8 21.1 89.0 42 42 A D > - 0 0 37 1,-0.1 4,-2.6 17,-0.1 5,-0.2 -0.673 64.7-143.2 -83.8 126.3 -16.0 22.4 90.6 43 43 A K H > S+ 0 0 121 -2,-0.5 4,-1.4 1,-0.2 -1,-0.1 0.837 99.1 42.7 -51.2 -42.6 -18.2 19.7 92.0 44 44 A Y H > S+ 0 0 88 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.874 112.8 49.2 -76.2 -42.0 -21.4 21.4 91.0 45 45 A A H > S+ 0 0 4 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.899 109.8 56.6 -63.4 -38.0 -20.4 22.6 87.5 46 46 A Q H X S+ 0 0 25 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.930 104.1 53.4 -55.5 -48.7 -19.3 19.0 87.1 47 47 A E H X S+ 0 0 70 -4,-1.4 4,-1.8 1,-0.2 -2,-0.2 0.953 110.5 43.0 -53.2 -58.4 -22.8 17.8 88.0 48 48 A V H X S+ 0 0 0 -4,-2.0 4,-1.1 1,-0.2 -1,-0.2 0.810 110.7 56.7 -61.0 -33.4 -24.6 19.9 85.4 49 49 A Y H >X S+ 0 0 0 -4,-2.2 4,-2.7 1,-0.2 3,-0.6 0.943 110.4 44.6 -62.7 -45.4 -22.0 19.1 82.8 50 50 A E H 3X S+ 0 0 104 -4,-2.4 4,-1.1 1,-0.2 -2,-0.2 0.799 108.2 57.5 -68.6 -28.9 -22.7 15.4 83.4 51 51 A M H 3< S+ 0 0 63 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.747 120.3 30.1 -71.4 -22.8 -26.5 16.0 83.4 52 52 A N H << S+ 0 0 40 -4,-1.1 -2,-0.2 -3,-0.6 -1,-0.2 0.668 132.2 27.7-110.8 -22.0 -26.1 17.5 79.9 53 53 A F H < S- 0 0 27 -4,-2.7 -3,-0.2 2,-0.3 -2,-0.1 0.264 94.9-122.3-123.9 8.1 -23.2 15.7 78.2 54 54 A G S < S+ 0 0 67 -4,-1.1 2,-0.3 -5,-0.3 -4,-0.2 0.790 79.9 102.0 53.8 30.3 -23.3 12.4 80.0 55 55 A E - 0 0 83 -6,-0.4 -2,-0.3 -9,-0.1 -1,-0.2 -0.970 65.3-137.3-143.3 156.6 -19.7 13.0 81.1 56 56 A K - 0 0 141 -2,-0.3 -18,-0.1 -6,-0.1 -9,-0.1 -0.966 28.8-129.1-116.9 121.0 -17.7 14.2 84.1 57 57 A P - 0 0 5 0, 0.0 2,-0.3 0, 0.0 -18,-0.3 -0.149 27.1-100.9 -63.1 161.7 -14.8 16.6 83.5 58 58 A E B -f 39 0B 75 -20,-1.7 -18,-2.0 1,-0.1 3,-0.1 -0.654 42.6-123.1 -83.5 140.2 -11.3 16.1 84.8 59 59 A G S S+ 0 0 32 -2,-0.3 4,-0.2 -20,-0.2 -18,-0.2 0.189 71.2 13.1 -70.9-166.9 -10.4 18.1 87.9 60 60 A D > - 0 0 45 1,-0.2 3,-2.2 -19,-0.1 4,-0.3 0.455 55.3-159.3 -6.0 98.4 -7.6 20.6 88.7 61 61 A I G > S+ 0 0 8 1,-0.3 3,-0.9 2,-0.2 -1,-0.2 0.750 89.5 69.3 -62.4 -22.5 -6.1 21.6 85.3 62 62 A T G 3 S+ 0 0 76 1,-0.2 -1,-0.3 3,-0.0 -2,-0.1 0.465 104.8 41.5 -75.6 -0.4 -3.0 22.7 87.3 63 63 A Q G < S+ 0 0 163 -3,-2.2 2,-0.5 -4,-0.2 -1,-0.2 0.322 88.6 103.8-126.9 4.5 -2.3 19.0 88.1 64 64 A V S < S- 0 0 6 -3,-0.9 2,-0.7 -4,-0.3 3,-0.0 -0.767 74.0-125.1 -91.2 128.5 -3.1 17.4 84.7 65 65 A N >> - 0 0 84 -2,-0.5 3,-3.9 1,-0.2 4,-0.6 -0.647 14.7-141.9 -73.9 113.4 -0.0 16.4 82.8 66 66 A E G >4 S+ 0 0 33 -2,-0.7 3,-1.0 1,-0.3 -1,-0.2 0.822 101.3 68.6 -45.9 -35.6 -0.5 18.2 79.4 67 67 A K G 34 S+ 0 0 118 1,-0.3 -1,-0.3 -3,-0.0 -2,-0.1 0.785 96.5 58.4 -54.8 -23.5 1.0 15.0 77.8 68 68 A T G <4 S+ 0 0 80 -3,-3.9 -1,-0.3 2,-0.1 -2,-0.2 0.834 80.7 100.5 -74.6 -37.9 -2.3 13.5 79.0 69 69 A I S << S- 0 0 2 -3,-1.0 3,-0.1 -4,-0.6 -32,-0.1 -0.243 81.4-110.7 -55.2 135.9 -4.6 15.9 77.1 70 70 A P - 0 0 38 0, 0.0 -1,-0.1 0, 0.0 -34,-0.1 -0.224 38.1 -92.2 -64.1 157.1 -6.0 14.3 73.9 71 71 A D + 0 0 112 -35,-0.0 2,-0.3 42,-0.0 41,-0.1 -0.415 58.3 168.9 -68.9 149.9 -4.8 15.6 70.5 72 72 A H - 0 0 14 39,-0.3 42,-0.3 1,-0.1 -58,-0.2 -0.994 44.3-141.0-164.4 157.3 -7.1 18.4 69.1 73 73 A D S S+ 0 0 31 -60,-2.2 42,-2.6 -2,-0.3 2,-0.5 0.829 92.5 34.7 -89.0 -39.5 -7.6 21.1 66.5 74 74 A I E -bc 14 115A 0 -61,-2.0 -59,-2.0 40,-0.2 2,-0.6 -0.979 63.1-161.3-127.6 125.9 -9.2 23.8 68.7 75 75 A L E -bc 15 116A 0 40,-2.7 42,-3.1 -2,-0.5 2,-0.4 -0.907 14.1-164.8-103.3 116.5 -8.5 24.5 72.3 76 76 A C E +bc 16 117A 0 -61,-2.2 -59,-1.8 -2,-0.6 2,-0.3 -0.861 14.1 166.5-103.9 140.4 -11.3 26.4 74.0 77 77 A A E +bc 17 118A 0 40,-2.5 42,-1.5 -2,-0.4 2,-0.8 -0.799 25.9 178.0-160.9 112.5 -10.8 28.1 77.3 78 78 A G - 0 0 0 -61,-0.8 3,-0.1 -2,-0.3 42,-0.1 -0.689 34.5-167.2-108.8 73.2 -12.7 30.7 79.2 79 79 A F - 0 0 4 -2,-0.8 21,-0.1 40,-0.2 -2,-0.1 -0.079 34.5 -61.8 -59.6 163.6 -10.4 30.7 82.2 80 80 A P - 0 0 3 0, 0.0 -1,-0.1 0, 0.0 21,-0.1 -0.066 45.2-177.5 -47.4 139.7 -11.2 32.4 85.6 81 81 A C >> + 0 0 31 -3,-0.1 4,-0.8 2,-0.1 3,-0.5 0.187 51.5 104.0-131.5 19.0 -11.9 36.1 85.6 82 82 A Q T 34 S+ 0 0 50 1,-0.2 8,-0.5 2,-0.2 7,-0.4 0.708 83.5 57.0 -73.5 -16.7 -12.6 37.2 89.2 83 83 A A T 34 S+ 0 0 1 14,-0.2 9,-2.0 1,-0.2 -1,-0.2 0.667 112.6 34.5 -89.4 -17.5 -9.0 38.6 89.3 84 84 A F T <4 S+ 0 0 0 -3,-0.5 -2,-0.2 7,-0.1 -1,-0.2 0.436 89.4 121.0-114.4 -0.8 -9.3 41.1 86.4 85 85 A S >< - 0 0 26 -4,-0.8 3,-1.9 1,-0.1 5,-0.2 -0.328 69.1-128.6 -67.5 143.2 -13.0 42.1 86.8 86 86 A I T 3 S+ 0 0 134 1,-0.3 -1,-0.1 -2,-0.1 -4,-0.1 0.539 109.1 58.6 -66.0 -5.2 -13.9 45.7 87.3 87 87 A S T 3 S+ 0 0 65 -5,-0.0 -1,-0.3 168,-0.0 2,-0.1 0.380 103.6 50.9-107.7 2.3 -15.9 44.4 90.3 88 88 A G S < S- 0 0 43 -3,-1.9 -5,-0.1 -5,-0.0 -6,-0.0 -0.166 102.7 -75.5-117.1-148.6 -13.1 42.8 92.3 89 89 A K - 0 0 178 -7,-0.4 -6,-0.1 -2,-0.1 -3,-0.1 0.634 50.2-144.5 -90.3 -17.6 -9.6 43.5 93.7 90 90 A Q + 0 0 75 -8,-0.5 3,-0.1 -5,-0.2 -7,-0.1 0.789 47.0 148.0 58.2 31.2 -8.0 43.2 90.3 91 91 A K > + 0 0 115 1,-0.2 3,-2.3 2,-0.1 -7,-0.1 0.576 31.5 178.1 -71.4 -5.0 -4.8 41.6 91.7 92 92 A G G > + 0 0 0 -9,-2.0 3,-1.7 1,-0.3 6,-0.2 -0.064 63.6 6.7 44.8-127.7 -4.7 39.7 88.4 93 93 A F G 3 S+ 0 0 59 1,-0.3 -1,-0.3 5,-0.1 6,-0.2 0.698 124.9 68.6 -58.7 -19.0 -1.7 37.4 87.9 94 94 A E G < S+ 0 0 89 -3,-2.3 2,-0.4 4,-0.1 -1,-0.3 0.149 90.6 89.4 -86.3 20.5 -0.9 38.2 91.5 95 95 A D S X> S- 0 0 14 -3,-1.7 3,-1.2 1,-0.1 4,-1.0 -0.932 83.2-126.9-122.6 144.7 -4.0 36.2 92.4 96 96 A S T 34 S+ 0 0 113 -2,-0.4 3,-0.2 1,-0.3 4,-0.2 0.817 121.3 34.6 -53.6 -34.4 -4.6 32.5 93.0 97 97 A R T 34 S+ 0 0 109 1,-0.1 -1,-0.3 -5,-0.1 -14,-0.2 0.422 104.4 83.2 -99.3 -0.6 -7.3 32.5 90.4 98 98 A G T <4 S+ 0 0 0 -3,-1.2 3,-0.3 -6,-0.2 -2,-0.2 0.757 87.6 46.5 -75.4 -29.5 -5.3 35.1 88.4 99 99 A T < + 0 0 46 -4,-1.0 2,-3.4 -6,-0.2 -2,-0.1 0.780 61.3 112.3 -77.8-104.8 -2.9 32.7 86.6 100 100 A L >> + 0 0 17 1,-0.2 4,-1.3 -4,-0.2 3,-0.7 -0.006 69.1 78.8 61.1 -38.4 -4.6 29.7 85.0 101 101 A F H 3> S+ 0 0 0 -2,-3.4 4,-2.9 -3,-0.3 -1,-0.2 0.818 84.3 60.5 -66.9 -31.1 -3.7 31.1 81.6 102 102 A F H 3> S+ 0 0 88 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.747 102.4 52.8 -69.9 -17.6 -0.2 29.9 82.0 103 103 A D H <> S+ 0 0 12 -3,-0.7 4,-1.9 2,-0.2 -1,-0.2 0.848 106.7 51.8 -80.5 -36.6 -1.8 26.4 82.2 104 104 A I H X S+ 0 0 1 -4,-1.3 4,-1.9 1,-0.2 -2,-0.2 0.959 113.5 44.7 -60.7 -47.9 -3.5 27.2 79.0 105 105 A A H X S+ 0 0 5 -4,-2.9 4,-2.6 1,-0.2 -2,-0.2 0.875 108.0 57.4 -62.0 -40.8 -0.1 28.1 77.6 106 106 A R H X S+ 0 0 54 -4,-1.8 4,-0.8 1,-0.2 -1,-0.2 0.884 110.3 45.4 -57.8 -38.8 1.5 25.0 79.1 107 107 A I H X S+ 0 0 1 -4,-1.9 4,-2.2 -3,-0.2 5,-0.2 0.842 110.8 50.6 -76.0 -37.2 -1.0 22.9 77.2 108 108 A V H X S+ 0 0 0 -4,-1.9 4,-3.7 2,-0.2 -2,-0.2 0.950 104.1 58.8 -66.7 -47.7 -0.7 24.7 73.8 109 109 A R H < S+ 0 0 142 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.847 116.5 35.2 -49.2 -35.4 3.1 24.4 73.9 110 110 A E H < S+ 0 0 77 -4,-0.8 -1,-0.2 -5,-0.2 -2,-0.2 0.774 127.5 34.7 -91.2 -28.5 2.7 20.6 74.1 111 111 A K H < S- 0 0 32 -4,-2.2 -39,-0.3 -5,-0.1 -2,-0.2 0.604 78.7-159.9-102.7 -14.4 -0.4 20.1 71.9 112 112 A K < - 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0 0 0 -3,-0.8 2,-0.3 24,-0.2 -3,-0.1 0.012 68.5-106.4 -89.2-163.3 -20.6 31.3 81.7 306 306 A V - 0 0 0 23,-0.5 2,-0.8 -23,-0.1 3,-0.1 -0.907 28.3-102.7-129.0 156.2 -20.6 32.6 78.1 307 307 A V >> - 0 0 2 -2,-0.3 4,-1.6 1,-0.2 3,-0.6 -0.697 27.2-148.9 -84.1 111.7 -23.3 33.6 75.7 308 308 A I H 3> S+ 0 0 0 -25,-2.1 4,-2.5 -2,-0.8 3,-0.3 0.875 90.3 57.2 -40.5 -57.6 -23.9 30.8 73.2 309 309 A N H 3> S+ 0 0 12 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.861 105.7 47.9 -46.6 -51.1 -24.9 33.0 70.3 310 310 A V H <> S+ 0 0 0 -3,-0.6 4,-2.3 1,-0.2 -1,-0.2 0.902 112.2 50.4 -61.0 -41.2 -21.7 35.1 70.3 311 311 A L H X S+ 0 0 0 -4,-1.6 4,-3.3 -3,-0.3 5,-0.2 0.905 108.0 54.2 -62.9 -41.5 -19.6 31.9 70.5 312 312 A Q H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.921 109.1 46.9 -57.7 -48.5 -21.5 30.4 67.6 313 313 A Y H X S+ 0 0 48 -4,-2.1 4,-1.6 1,-0.2 -1,-0.2 0.944 115.9 45.7 -60.4 -46.5 -20.9 33.4 65.3 314 314 A I H X S+ 0 0 0 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.885 110.8 51.9 -64.2 -41.4 -17.2 33.4 66.3 315 315 A A H X S+ 0 0 0 -4,-3.3 4,-1.8 1,-0.2 -1,-0.2 0.916 107.4 54.8 -61.4 -41.4 -16.8 29.6 65.8 316 316 A Y H X S+ 0 0 64 -4,-2.4 4,-2.4 -5,-0.2 -1,-0.2 0.889 108.5 47.0 -58.4 -42.4 -18.4 30.0 62.4 317 317 A N H X S+ 0 0 29 -4,-1.6 4,-2.0 1,-0.2 -1,-0.2 0.858 105.8 59.0 -69.1 -35.1 -15.8 32.5 61.4 318 318 A I H X S+ 0 0 1 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.889 111.2 42.4 -61.1 -37.5 -13.0 30.4 62.7 319 319 A G H X S+ 0 0 0 -4,-1.8 4,-2.9 2,-0.2 -2,-0.2 0.931 108.9 56.0 -74.1 -46.7 -14.1 27.7 60.3 320 320 A S H < S+ 0 0 44 -4,-2.4 4,-0.3 1,-0.2 -2,-0.2 0.828 113.6 43.7 -54.1 -32.9 -14.7 30.0 57.4 321 321 A S H >< S+ 0 0 5 -4,-2.0 3,-1.3 2,-0.2 -1,-0.2 0.932 114.3 47.3 -77.0 -49.1 -11.0 31.1 57.8 322 322 A L H 3< S+ 0 0 22 -4,-2.2 -2,-0.2 1,-0.3 -3,-0.2 0.756 113.2 52.8 -61.9 -24.8 -9.7 27.5 58.3 323 323 A N T 3< S+ 0 0 91 -4,-2.9 2,-1.3 -5,-0.1 -1,-0.3 0.488 80.5 96.2 -91.4 -5.8 -11.7 26.5 55.3 324 324 A F < + 0 0 133 -3,-1.3 -145,-0.1 -4,-0.3 -1,-0.1 -0.706 44.8 151.7 -87.9 91.7 -10.4 29.1 52.9 325 325 A K + 0 0 177 -2,-1.3 -1,-0.1 0, 0.0 2,-0.1 -0.578 16.7 176.3-122.8 69.5 -7.7 27.1 51.1 326 326 A P 0 0 83 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 -0.392 360.0 360.0 -74.6 152.5 -7.1 28.4 47.6 327 327 A Y 0 0 304 -2,-0.1 0, 0.0 0, 0.0 0, 0.0 0.808 360.0 360.0 -69.8 360.0 -4.4 27.0 45.3 328 ! 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 48 0, 0.0 -306,-1.1 0, 0.0 -23,-0.5 0.000 360.0 360.0 360.0 360.0 -17.4 28.3 81.0