==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-MAR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/DNA 07-OCT-09 3K5N . COMPND 2 MOLECULE: DNA POLYMERASE II; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR W.YANG,F.WANG . 1497 9 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 70612.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1051 70.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 41 2.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 246 16.4 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 . 9 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 14 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 101 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 120 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 476 31.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 47 3.1 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 1 8 4 4 1 3 4 4 2 6 0 0 1 1 0 1 2 1 2 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 1 4 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 . 10 2 5 4 4 10 4 1 2 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 . 3 2 2 2 4 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 83 0, 0.0 2,-0.2 0, 0.0 125,-0.1 0.000 360.0 360.0 360.0 88.1 24.4 -26.7 2.7 2 2 A A + 0 0 63 125,-0.1 2,-0.3 123,-0.1 125,-0.2 -0.344 360.0 165.4 -66.6 128.3 26.9 -24.3 1.0 3 3 A Q E -A 126 0A 41 123,-1.6 123,-1.9 -2,-0.2 2,-0.2 -0.997 32.4-121.3-144.7 140.4 25.7 -21.0 -0.3 4 4 A A E +A 125 0A 17 -2,-0.3 24,-0.4 121,-0.2 2,-0.3 -0.505 40.6 153.5 -80.5 147.0 27.3 -17.8 -1.4 5 5 A G E -A 124 0A 0 119,-1.8 119,-2.4 -2,-0.2 2,-0.4 -0.899 40.1-121.6-156.7-177.8 26.5 -14.6 0.3 6 6 A F E -AB 123 26A 0 20,-0.7 20,-2.2 -2,-0.3 2,-0.4 -0.989 35.0-117.8-134.1 133.1 27.8 -11.2 1.0 7 7 A I E + B 0 25A 3 115,-3.2 343,-0.2 -2,-0.4 18,-0.2 -0.662 34.9 173.4 -78.1 126.9 28.1 -10.2 4.7 8 8 A L E + 0 0 5 16,-3.4 2,-0.3 -2,-0.4 343,-0.3 0.755 64.3 4.0 -99.5 -39.5 25.9 -7.2 5.3 9 9 A T E - B 0 24A 7 15,-1.3 15,-1.8 254,-0.1 2,-0.4 -0.997 57.9-144.0-153.3 149.7 26.2 -7.0 9.0 10 10 A R E + B 0 23A 38 -2,-0.3 2,-0.3 13,-0.2 13,-0.2 -0.897 20.7 177.7-111.9 136.6 28.0 -8.5 11.9 11 11 A H E - B 0 22A 35 11,-2.4 11,-1.6 -2,-0.4 2,-0.3 -0.961 6.2-178.1-137.2 154.4 26.5 -9.0 15.3 12 12 A W E + B 0 21A 74 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.980 9.0 168.4-147.3 150.2 27.8 -10.6 18.5 13 13 A R E - B 0 20A 134 7,-1.5 7,-2.6 -2,-0.3 2,-0.6 -0.974 33.9-105.1-164.1 152.1 26.1 -11.2 21.8 14 14 A D E + B 0 19A 45 -2,-0.3 5,-0.2 5,-0.2 71,-0.1 -0.691 33.5 171.9 -90.8 123.0 26.4 -12.9 25.1 15 15 A T E > - B 0 18A 25 3,-2.1 3,-1.8 -2,-0.6 -2,-0.0 -0.831 46.0-106.4-116.6 159.1 24.2 -15.9 25.8 16 16 A P T 3 S+ 0 0 121 0, 0.0 -1,-0.1 0, 0.0 3,-0.0 0.862 117.5 49.2 -57.8 -42.9 24.7 -18.0 28.9 17 17 A Q T 3 S- 0 0 125 1,-0.1 2,-0.3 -3,-0.0 -3,-0.0 0.450 127.3 -65.6 -81.4 3.9 26.3 -20.9 27.2 18 18 A G E < S-B 15 0A 3 -3,-1.8 -3,-2.1 2,-0.0 2,-0.4 -0.990 71.0 -36.6 158.9-149.5 28.7 -18.8 25.3 19 19 A T E -B 14 0A 5 20,-0.3 20,-0.6 -2,-0.3 2,-0.5 -0.984 45.2-152.0-123.1 128.3 29.1 -16.1 22.7 20 20 A E E -B 13 0A 57 -7,-2.6 -7,-1.5 -2,-0.4 2,-0.5 -0.871 8.4-170.4-105.2 125.8 26.9 -16.0 19.6 21 21 A V E +B 12 0A 4 -2,-0.5 15,-1.5 15,-0.3 2,-0.3 -0.970 13.5 168.6-118.3 128.1 28.1 -14.5 16.4 22 22 A S E -BC 11 35A 6 -11,-1.6 -11,-2.4 -2,-0.5 2,-0.3 -0.808 12.7-167.3-127.4 164.4 25.6 -14.0 13.6 23 23 A F E -BC 10 34A 0 11,-0.9 11,-2.1 -2,-0.3 2,-0.5 -0.936 20.2-129.7-146.7 160.6 25.8 -12.1 10.4 24 24 A W E -BC 9 33A 23 -15,-1.8 -16,-3.4 -2,-0.3 -15,-1.3 -0.985 32.1-162.3-117.4 125.1 23.1 -11.1 8.0 25 25 A L E -BC 7 32A 2 7,-3.0 7,-1.6 -2,-0.5 2,-0.5 -0.708 19.7-136.4-109.6 157.6 23.9 -12.1 4.4 26 26 A A E +BC 6 31A 2 -20,-2.2 -20,-0.7 -2,-0.3 2,-0.2 -0.967 34.1 171.3-112.1 125.0 22.7 -11.1 1.0 27 27 A T - 0 0 5 3,-3.5 -22,-0.1 -2,-0.5 -24,-0.0 -0.647 50.5 -96.1-124.3 175.6 22.2 -14.2 -1.2 28 28 A D S S+ 0 0 112 -24,-0.4 -23,-0.1 -2,-0.2 -1,-0.0 0.840 126.4 45.5 -66.1 -32.4 20.7 -14.6 -4.6 29 29 A N S S- 0 0 83 1,-0.2 -1,-0.2 911,-0.0 911,-0.0 0.834 125.8 -86.7 -76.6 -32.9 17.5 -15.6 -2.9 30 30 A G S S- 0 0 24 909,-0.0 -3,-3.5 188,-0.0 2,-0.3 -0.959 72.5 -17.7 160.7-151.6 17.4 -12.9 -0.4 31 31 A P E -C 26 0A 44 0, 0.0 2,-0.4 0, 0.0 -5,-0.2 -0.672 52.8-170.0 -88.7 144.7 18.8 -12.3 3.1 32 32 A L E -C 25 0A 16 -7,-1.6 -7,-3.0 -2,-0.3 2,-0.4 -0.985 13.8-141.4-133.5 142.1 20.0 -15.1 5.3 33 33 A Q E -Cd 24 134A 29 100,-0.7 102,-2.3 -2,-0.4 2,-0.4 -0.804 19.8-162.0-101.8 151.8 20.9 -15.1 8.9 34 34 A V E -Cd 23 135A 1 -11,-2.1 -11,-0.9 -2,-0.4 2,-0.4 -0.978 11.2-169.5-133.9 147.9 23.8 -17.2 10.1 35 35 A T E -Cd 22 136A 21 100,-2.0 102,-1.8 -2,-0.4 103,-0.9 -0.803 13.0-152.2-145.6 103.0 24.9 -18.4 13.4 36 36 A L E - d 0 138A 8 -15,-1.5 -15,-0.3 -2,-0.4 101,-0.2 -0.031 32.9 -88.4 -67.1 165.4 28.2 -20.0 14.1 37 37 A A - 0 0 43 101,-0.8 -1,-0.1 1,-0.1 -16,-0.1 -0.467 64.6 -85.3 -68.9 149.3 29.3 -22.5 16.7 38 38 A P - 0 0 70 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.229 49.2-162.1 -56.6 146.3 30.3 -20.6 19.8 39 39 A Q - 0 0 67 -20,-0.6 -20,-0.3 45,-0.2 2,-0.2 -0.854 18.0-118.7-126.5 161.9 33.9 -19.5 19.8 40 40 A E - 0 0 86 -2,-0.3 2,-0.3 -22,-0.1 44,-0.2 -0.664 28.7-128.4 -93.4 160.6 36.1 -18.5 22.7 41 41 A S E -F 83 0B 8 42,-2.9 42,-1.2 -2,-0.2 2,-0.4 -0.761 25.3-152.8-105.5 157.4 37.5 -15.0 22.7 42 42 A V E +F 82 0B 19 -2,-0.3 2,-0.3 66,-0.2 40,-0.2 -0.976 24.5 167.8-139.9 149.4 41.2 -14.2 23.2 43 43 A A E -F 81 0B 0 38,-1.3 38,-3.3 -2,-0.4 2,-0.3 -0.963 29.8-131.2-148.7 144.5 43.6 -11.6 24.4 44 44 A F E -FG 80 104B 13 60,-1.7 60,-2.6 -2,-0.3 36,-0.2 -0.781 15.9-167.4-108.8 150.9 47.3 -12.2 25.0 45 45 A I E -F 79 0B 0 34,-3.3 34,-4.7 -2,-0.3 58,-0.1 -0.948 32.2-101.6-131.6 149.1 49.5 -11.4 27.9 46 46 A P E -F 78 0B 7 0, 0.0 32,-0.3 0, 0.0 4,-0.3 -0.267 40.2-110.3 -63.9 159.1 53.3 -11.4 28.2 47 47 A A S > S+ 0 0 26 30,-2.8 3,-1.4 1,-0.2 31,-0.1 0.945 110.9 50.6 -58.3 -47.9 54.6 -14.5 30.0 48 48 A D T 3> S+ 0 0 106 1,-0.3 4,-0.6 29,-0.3 -1,-0.2 0.870 98.8 58.4 -58.3 -49.9 55.7 -12.6 33.1 49 49 A Q H 3> S+ 0 0 32 1,-0.3 4,-2.5 2,-0.2 -1,-0.3 0.528 84.7 90.3 -66.5 4.1 52.7 -10.6 34.0 50 50 A V H <> S+ 0 0 5 -3,-1.4 4,-2.8 -4,-0.3 -1,-0.3 0.903 84.2 48.3 -63.9 -44.0 50.9 -13.9 34.2 51 51 A P H > S+ 0 0 69 0, 0.0 4,-1.1 0, 0.0 -1,-0.2 0.944 117.2 41.9 -61.4 -48.9 51.7 -14.3 37.9 52 52 A R H X S+ 0 0 109 -4,-0.6 4,-1.4 1,-0.2 -2,-0.2 0.887 114.9 56.9 -61.6 -37.9 50.6 -10.8 38.7 53 53 A A H X S+ 0 0 0 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.850 101.4 49.7 -64.0 -42.0 47.8 -11.6 36.3 54 54 A Q H < S+ 0 0 85 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.765 108.6 58.4 -72.3 -19.6 46.3 -14.6 38.0 55 55 A H H >< S+ 0 0 130 -4,-1.1 3,-0.6 -5,-0.2 -2,-0.2 0.862 102.9 49.2 -74.0 -37.7 46.4 -12.6 41.2 56 56 A I H 3< S+ 0 0 46 -4,-1.4 2,-1.1 1,-0.3 -2,-0.2 0.948 117.6 43.1 -66.4 -43.1 44.2 -9.9 39.8 57 57 A L T 3< S+ 0 0 3 -4,-1.8 2,-0.6 -5,-0.1 3,-0.4 -0.603 83.0 156.3 -98.3 70.3 41.8 -12.6 38.6 58 58 A Q S < S- 0 0 134 -2,-1.1 3,-0.1 -3,-0.6 -3,-0.1 -0.875 70.0 -3.8-100.4 126.3 41.9 -14.7 41.7 59 59 A G S S+ 0 0 68 -2,-0.6 2,-0.2 1,-0.2 -1,-0.2 0.779 104.7 108.3 66.8 30.1 38.9 -16.9 42.2 60 60 A E + 0 0 75 -3,-0.4 2,-0.3 3,-0.0 -1,-0.2 -0.418 47.7 177.3-114.0-168.4 37.0 -15.7 39.3 61 61 A Q + 0 0 145 -2,-0.2 3,-0.1 1,-0.1 -3,-0.0 -0.980 47.8 102.8-179.2-172.2 36.7 -18.0 36.4 62 62 A G S S+ 0 0 46 1,-0.5 22,-0.5 -2,-0.3 23,-0.4 0.695 83.1 100.0 83.6 16.3 35.3 -18.5 33.0 63 63 A F E -H 83 0B 48 20,-0.2 -1,-0.5 -3,-0.1 2,-0.4 -0.965 55.3-163.9-135.9 155.0 38.8 -17.7 32.0 64 64 A R E -H 82 0B 100 18,-1.8 18,-3.0 -2,-0.3 2,-0.5 -0.990 4.7-168.7-138.7 129.0 41.8 -19.8 30.9 65 65 A L E +H 81 0B 30 -2,-0.4 16,-0.2 16,-0.2 -21,-0.0 -0.976 21.7 146.1-123.7 130.4 45.3 -18.7 30.8 66 66 A T E -H 80 0B 38 14,-1.6 14,-3.5 -2,-0.5 -2,-0.1 -0.994 45.3 -87.4-158.0 161.6 48.0 -20.7 29.2 67 67 A P E -H 79 0B 77 0, 0.0 2,-0.3 0, 0.0 12,-0.2 -0.193 35.8-175.3 -68.4 159.8 51.2 -20.5 27.2 68 68 A L E - 0 0 51 10,-1.0 2,-2.6 2,-0.2 10,-0.5 -0.970 40.9-109.9-153.8 147.0 51.4 -20.3 23.3 69 69 A A E S+ 0 0 104 -2,-0.3 2,-0.3 8,-0.1 10,-0.1 -0.215 86.3 110.3 -75.5 50.0 54.3 -20.4 20.9 70 70 A L E - 0 0 35 -2,-2.6 8,-1.2 8,-0.4 2,-0.3 -0.772 51.4-151.5-120.9 167.8 53.5 -16.7 20.2 71 71 A K E -Hi 77 373B 66 301,-0.6 303,-2.0 -2,-0.3 -2,-0.0 -0.959 18.0-109.6-145.8 164.0 55.3 -13.5 21.1 72 72 A D > - 0 0 5 4,-1.2 3,-0.7 -2,-0.3 303,-0.1 -0.053 45.2-108.0 -67.3 178.4 55.2 -9.8 21.8 73 73 A F T 3 S+ 0 0 30 1,-0.2 -1,-0.1 2,-0.1 302,-0.1 0.376 129.0 61.6 -89.5 1.2 56.6 -7.5 19.2 74 74 A H T 3 S- 0 0 117 2,-0.2 -1,-0.2 3,-0.0 -2,-0.0 0.344 121.9-114.4-102.1 -2.1 59.2 -7.4 21.9 75 75 A R < + 0 0 82 -3,-0.7 -2,-0.1 1,-0.2 3,-0.0 0.711 69.2 136.7 80.9 20.2 59.8 -11.0 21.4 76 76 A Q - 0 0 96 1,-0.1 -4,-1.2 -29,-0.0 -1,-0.2 -0.887 62.6-105.2-107.0 125.9 58.6 -12.3 24.8 77 77 A P E - H 0 71B 68 0, 0.0 -30,-2.8 0, 0.0 2,-0.3 -0.104 40.3-154.0 -43.4 143.1 56.5 -15.3 25.0 78 78 A V E -F 46 0B 1 -8,-1.2 -10,-1.0 -10,-0.5 -8,-0.4 -0.768 6.2-133.6-117.5 165.7 52.9 -14.3 25.7 79 79 A Y E -FH 45 67B 65 -34,-4.7 -34,-3.3 -2,-0.3 2,-0.5 -0.880 20.1-126.5-117.9 149.8 50.2 -16.3 27.3 80 80 A G E -FH 44 66B 0 -14,-3.5 -14,-1.6 -2,-0.3 2,-0.7 -0.869 15.1-158.1-106.1 130.1 46.7 -16.5 25.9 81 81 A L E -FH 43 65B 0 -38,-3.3 -38,-1.3 -2,-0.5 2,-0.4 -0.888 15.0-174.4-107.6 118.4 43.8 -15.6 28.0 82 82 A Y E +FH 42 64B 42 -18,-3.0 -18,-1.8 -2,-0.7 2,-0.3 -0.916 12.6 169.9-118.3 135.7 40.5 -17.1 26.9 83 83 A C E -FH 41 63B 2 -42,-1.2 -42,-2.9 -2,-0.4 -20,-0.2 -0.945 29.5-142.3-132.5 154.1 37.1 -16.5 28.2 84 84 A R S S+ 0 0 120 -22,-0.5 2,-0.6 -2,-0.3 -45,-0.2 0.490 89.5 67.0 -96.4 -4.2 34.0 -17.8 26.4 85 85 A A S > S- 0 0 24 -23,-0.4 4,-2.1 1,-0.2 3,-0.4 -0.967 71.1-157.8-113.7 113.3 31.9 -14.7 27.3 86 86 A H H > S+ 0 0 3 -2,-0.6 4,-2.7 1,-0.2 5,-0.2 0.902 88.7 58.1 -60.8 -38.9 33.4 -11.7 25.5 87 87 A R H > S+ 0 0 137 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.880 108.7 44.8 -62.3 -33.0 31.9 -9.2 27.8 88 88 A Q H > S+ 0 0 46 -3,-0.4 4,-2.5 2,-0.2 -1,-0.2 0.905 107.7 56.5 -76.9 -37.7 33.6 -10.7 30.8 89 89 A L H X S+ 0 0 2 -4,-2.1 4,-2.0 1,-0.3 -2,-0.2 0.946 107.0 53.0 -54.1 -43.5 36.9 -11.1 28.9 90 90 A M H X S+ 0 0 70 -4,-2.7 4,-1.5 1,-0.2 -1,-0.3 0.908 107.0 51.4 -57.2 -40.5 36.4 -7.4 28.5 91 91 A N H X S+ 0 0 72 -4,-1.5 4,-1.3 1,-0.2 -1,-0.2 0.873 108.6 50.6 -66.4 -34.8 36.0 -7.0 32.2 92 92 A Y H X S+ 0 0 11 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.831 106.4 54.3 -70.3 -36.2 39.2 -8.9 33.0 93 93 A E H X S+ 0 0 8 -4,-2.0 4,-3.6 2,-0.2 5,-0.3 0.877 105.3 51.0 -68.4 -40.6 41.4 -6.9 30.7 94 94 A K H X S+ 0 0 95 -4,-1.5 4,-3.0 2,-0.2 -1,-0.2 0.912 112.2 48.0 -67.5 -33.8 40.5 -3.6 32.1 95 95 A R H X S+ 0 0 74 -4,-1.3 4,-1.3 1,-0.2 -2,-0.2 0.932 113.8 48.9 -67.2 -41.1 41.2 -5.0 35.5 96 96 A L H <>S+ 0 0 0 -4,-2.7 5,-2.6 2,-0.2 -2,-0.2 0.915 114.8 42.3 -64.1 -42.4 44.4 -6.3 34.0 97 97 A R H ><5S+ 0 0 142 -4,-3.6 3,-2.2 1,-0.2 -1,-0.2 0.906 111.2 56.1 -69.2 -40.2 45.4 -3.1 32.4 98 98 A E H 3<5S+ 0 0 135 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.765 105.8 54.5 -61.1 -25.4 44.3 -1.2 35.5 99 99 A G T 3<5S- 0 0 36 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.270 127.5 -95.4 -93.2 10.9 46.7 -3.4 37.4 100 100 A G T < 5S+ 0 0 51 -3,-2.2 2,-0.5 1,-0.3 -3,-0.2 0.678 81.1 134.4 88.5 16.2 49.7 -2.6 35.2 101 101 A V < - 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0 0 130 3,-0.1 4,-0.3 2,-0.1 -1,-0.1 0.380 18.7-163.8 107.0 117.9 12.6 28.5 1.3 301 314 A M S > S+ 0 0 77 2,-0.2 4,-0.9 1,-0.1 -140,-0.1 0.170 91.3 69.8-107.4 6.9 11.1 25.9 3.7 302 315 A D H > S+ 0 0 76 2,-0.2 4,-1.4 3,-0.1 -1,-0.1 0.409 86.7 64.2-100.9 -2.0 8.0 28.0 3.9 303 316 A E H > S+ 0 0 57 2,-0.2 4,-2.3 3,-0.1 5,-0.2 0.886 106.2 48.0 -72.6 -42.1 7.4 27.0 0.3 304 317 A I H > S+ 0 0 14 -4,-0.3 4,-1.7 1,-0.2 -2,-0.2 0.889 109.7 49.3 -63.2 -40.8 7.1 23.7 2.0 305 318 A D H < S+ 0 0 36 -4,-0.9 -1,-0.2 1,-0.2 4,-0.2 0.848 111.6 48.8 -68.4 -33.3 4.9 24.9 4.8 306 319 A R H >X S+ 0 0 116 -4,-1.4 4,-4.2 1,-0.2 3,-0.6 0.891 109.5 52.7 -70.5 -41.6 2.5 26.6 2.4 307 320 A R H 3X S+ 0 0 53 -4,-2.3 4,-1.9 1,-0.3 8,-0.3 0.847 105.2 51.7 -63.0 -40.9 2.3 23.6 0.2 308 321 A F H 3< S+ 0 0 37 -4,-1.7 -1,-0.3 -5,-0.2 4,-0.3 0.668 119.7 42.2 -69.7 -11.3 1.4 21.2 2.9 309 322 A A H <4 S+ 0 0 43 -3,-0.6 -2,-0.3 -4,-0.2 -1,-0.2 0.841 128.6 21.7-100.5 -46.3 -1.2 23.8 3.6 310 323 A E H < S+ 0 0 150 -4,-4.2 -3,-0.2 1,-0.2 -2,-0.2 0.256 138.2 8.9-110.5 16.3 -2.5 24.8 0.3 311 324 A D >X - 0 0 48 -4,-1.9 3,-1.2 -5,-0.2 4,-1.2 -0.055 54.2-179.2 169.3 75.6 -1.6 21.8 -1.9 312 325 A K H 3> S+ 0 0 12 -4,-0.3 4,-2.6 1,-0.2 5,-0.2 0.827 78.8 66.9 -57.5 -38.3 -0.3 18.6 -0.4 313 326 A P H 3> S+ 0 0 4 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.734 99.7 49.6 -55.3 -32.9 0.1 16.8 -3.7 314 327 A A H <> S+ 0 0 26 -3,-1.2 4,-2.1 -7,-0.2 5,-0.3 0.833 109.5 54.5 -73.9 -35.3 2.8 19.1 -4.9 315 328 A L H >X S+ 0 0 0 -4,-1.2 4,-2.9 -8,-0.3 3,-0.9 0.989 105.5 51.2 -59.8 -51.9 4.4 18.5 -1.6 316 329 A A H 3X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.3 -1,-0.2 0.898 116.4 41.1 -50.2 -44.9 4.3 14.7 -2.1 317 330 A T H 3X S+ 0 0 51 -4,-1.6 4,-1.4 2,-0.2 -1,-0.3 0.680 107.9 57.9 -81.3 -16.3 6.0 15.1 -5.4 318 331 A Y H S+ 0 0 4 -4,-1.5 5,-1.6 1,-0.2 6,-0.5 0.846 113.1 44.0 -66.8 -30.6 23.7 6.6 -6.8 331 344 A H H <5S+ 0 0 119 -4,-1.5 -2,-0.2 3,-0.2 -1,-0.2 0.877 111.3 49.8 -79.5 -40.5 23.4 5.1 -10.3 332 345 A K H <5S+ 0 0 121 -4,-2.6 -2,-0.2 1,-0.2 -3,-0.2 0.949 115.9 43.3 -63.2 -48.1 25.2 7.7 -12.2 333 346 A T T <5S- 0 0 9 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.558 99.0-137.1 -74.5 -12.8 28.1 7.7 -9.8 334 347 A E T >5 + 0 0 125 -4,-0.3 4,-0.8 -3,-0.2 -3,-0.2 0.943 47.4 158.2 52.2 44.5 28.1 4.0 -9.7 335 348 A I H >< + 0 0 3 -5,-1.6 4,-2.0 -6,-0.2 3,-0.5 0.937 56.8 49.0 -68.4 -51.5 28.6 4.5 -6.1 336 349 A M H > S+ 0 0 3 -6,-0.5 4,-2.7 1,-0.2 5,-0.4 0.956 102.8 58.4 -62.0 -49.9 27.5 1.3 -4.6 337 350 A P H > S+ 0 0 55 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.867 111.6 46.8 -42.5 -39.8 29.4 -1.1 -6.8 338 351 A F H X S+ 0 0 23 -4,-0.8 4,-3.4 -3,-0.5 5,-0.3 0.880 108.1 52.3 -73.1 -42.1 32.4 0.7 -5.6 339 352 A L H X S+ 0 0 0 -4,-2.0 4,-3.8 -3,-0.3 5,-0.3 0.989 115.9 42.2 -58.3 -53.8 31.5 0.6 -1.9 340 353 A L H X S+ 0 0 17 -4,-2.7 4,-1.7 1,-0.2 -2,-0.2 0.917 114.1 50.9 -58.9 -43.7 31.0 -3.1 -2.2 341 354 A E H X S+ 0 0 16 -4,-2.4 4,-1.0 -5,-0.4 -1,-0.2 0.942 116.7 41.0 -62.5 -41.7 34.0 -3.6 -4.3 342 355 A R H >X S+ 0 0 38 -4,-3.4 4,-2.2 1,-0.2 3,-1.6 0.971 110.5 54.6 -68.5 -52.6 36.1 -1.7 -1.9 343 356 A A H 3X S+ 0 0 2 -4,-3.8 4,-1.4 -5,-0.3 -1,-0.2 0.796 106.9 56.5 -50.1 -27.0 34.5 -3.1 1.3 344 357 A T H 3< S+ 0 0 17 -4,-1.7 -1,-0.3 -5,-0.3 -222,-0.3 0.821 108.2 45.6 -72.9 -34.2 35.4 -6.5 -0.3 345 358 A V H << S+ 0 0 23 -3,-1.6 -2,-0.2 -4,-1.0 -1,-0.2 0.825 121.1 35.2 -78.7 -33.4 39.0 -5.5 -0.5 346 359 A N H < S- 0 0 11 -4,-2.2 17,-0.2 2,-0.1 -2,-0.2 0.536 94.3-130.1-102.4 -11.5 39.5 -4.1 2.9 347 360 A G < + 0 0 0 -4,-1.4 -3,-0.1 -5,-0.3 -4,-0.1 0.534 64.5 121.6 77.4 3.7 37.2 -6.2 5.1 348 361 A L S S- 0 0 13 -5,-0.2 -1,-0.2 -6,-0.2 -2,-0.1 -0.410 74.4 -77.0 -90.6 174.0 35.4 -3.4 6.8 349 362 A P > - 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0 0 81 -5,-0.9 2,-0.5 -4,-0.2 -1,-0.3 -0.890 24.7-161.6 -97.0 127.7 15.5 -25.9 -29.9 1048 287 B N + 0 0 137 -2,-0.5 2,-0.3 -3,-0.1 3,-0.1 -0.953 18.6 170.9-124.3 140.2 15.4 -29.6 -30.0 1049 288 B F - 0 0 13 -2,-0.5 8,-0.1 1,-0.1 7,-0.0 -0.946 44.5-115.0-131.9 150.0 15.7 -32.2 -27.3 1050 289 B S S S+ 0 0 97 -2,-0.3 2,-0.3 6,-0.1 -1,-0.1 0.949 105.5 14.7 -53.8 -50.6 15.0 -35.9 -27.7 1051 290 B S S S- 0 0 53 2,-0.1 2,-0.2 -3,-0.1 -1,-0.1 -0.872 71.0-144.0-121.5 159.7 12.2 -35.5 -25.3 1052 291 B F + 0 0 37 -2,-0.3 2,-0.4 4,-0.1 3,-0.1 -0.513 56.4 115.5-121.8 62.2 10.5 -32.4 -24.1 1053 292 B S S > S- 0 0 23 -2,-0.2 4,-3.0 1,-0.2 5,-0.4 -0.925 78.9-107.6-124.5 152.4 9.6 -33.0 -20.6 1054 293 B L H > S+ 0 0 20 -2,-0.4 4,-3.6 1,-0.2 5,-0.3 0.934 118.3 52.3 -40.0 -60.9 11.1 -31.0 -17.8 1055 294 B E H > S+ 0 0 123 1,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.824 113.8 37.5 -45.3 -53.1 13.1 -34.0 -16.8 1056 295 B T H > S+ 0 0 29 -3,-0.2 4,-2.4 2,-0.2 -1,-0.3 0.880 119.0 50.6 -71.8 -35.4 14.7 -34.8 -20.1 1057 296 B V H X>S+ 0 0 0 -4,-3.0 4,-2.5 1,-0.2 5,-0.5 0.883 110.8 48.9 -66.5 -41.2 15.1 -31.2 -21.0 1058 297 B A H X>S+ 0 0 4 -4,-3.6 4,-1.8 -5,-0.4 6,-1.3 0.911 111.9 47.3 -67.3 -45.1 16.7 -30.5 -17.7 1059 298 B Q H X5S+ 0 0 122 -4,-2.2 4,-1.7 5,-0.3 -2,-0.2 0.988 116.2 46.0 -58.7 -55.5 19.2 -33.3 -18.0 1060 299 B E H <5S+ 0 0 104 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.830 128.8 20.4 -55.7 -43.5 20.1 -32.4 -21.5 1061 300 B L H <5S+ 0 0 34 -4,-2.5 -3,-0.2 -5,-0.2 -1,-0.2 0.836 134.7 34.4 -97.8 -40.1 20.5 -28.7 -21.2 1062 301 B L H < 0 0 104 0, 0.0 4,-0.8 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -3.4 7.2 -42.7 -9.2 1067 314 B M H > + 0 0 98 1,-0.2 4,-0.9 2,-0.2 3,-0.2 0.800 360.0 54.4 -66.7 -38.0 3.6 -41.7 -9.7 1068 315 B D H > S+ 0 0 98 1,-0.2 4,-3.3 2,-0.2 -1,-0.2 0.778 93.9 72.3 -66.1 -34.4 2.9 -43.1 -6.2 1069 316 B E H > S+ 0 0 52 2,-0.3 4,-3.7 1,-0.3 5,-0.4 0.894 93.5 51.0 -54.6 -46.9 5.6 -40.9 -4.7 1070 317 B I H X S+ 0 0 33 -4,-0.8 4,-2.8 1,-0.2 -1,-0.3 0.980 114.7 45.2 -57.3 -46.7 3.7 -37.8 -5.1 1071 318 B D H X S+ 0 0 37 -4,-0.9 4,-1.4 1,-0.2 -2,-0.3 0.861 115.4 47.2 -62.7 -38.6 0.8 -39.6 -3.4 1072 319 B R H X S+ 0 0 100 -4,-3.3 4,-1.2 2,-0.2 5,-0.3 0.947 112.0 48.5 -67.3 -48.8 3.0 -41.0 -0.8 1073 320 B R H >X S+ 0 0 69 -4,-3.7 4,-1.2 1,-0.2 3,-0.5 0.890 103.9 61.3 -63.7 -35.8 4.8 -37.9 -0.0 1074 321 B F H 3< S+ 0 0 26 -4,-2.8 4,-0.3 -5,-0.4 -1,-0.2 0.966 117.1 29.6 -56.3 -46.7 1.7 -36.0 0.3 1075 322 B A H 3< S+ 0 0 75 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.468 134.0 31.4 -92.1 1.2 0.6 -38.2 3.1 1076 323 B E H << S+ 0 0 119 -4,-1.2 -126,-0.5 -3,-0.5 2,-0.2 0.749 133.7 12.2-117.0 -50.4 4.0 -39.0 4.5 1077 324 B D >X + 0 0 65 -4,-1.2 3,-1.2 -5,-0.3 4,-1.0 -0.680 59.8 166.9-132.3 72.7 6.3 -36.1 3.9 1078 325 B K H >> S+ 0 0 8 1,-0.3 4,-2.0 -4,-0.3 3,-1.0 0.901 78.6 64.1 -60.2 -37.1 4.3 -33.0 2.8 1079 326 B P H 3> S+ 0 0 4 0, 0.0 4,-2.0 0, 0.0 -1,-0.3 0.863 105.4 44.9 -54.8 -33.4 7.4 -30.9 3.4 1080 327 B A H <> S+ 0 0 14 -3,-1.2 4,-2.2 2,-0.2 -2,-0.2 0.636 100.4 64.0 -87.2 -11.3 9.1 -32.8 0.7 1081 328 B L H X S+ 0 0 0 -4,-2.3 3,-3.9 1,-0.2 4,-1.5 0.972 105.4 54.0 -58.5 -62.7 7.8 -29.1 -6.5 1086 333 B L H 3X S+ 0 0 2 -4,-2.2 4,-2.3 1,-0.3 -1,-0.2 0.790 103.6 59.2 -49.0 -29.4 9.7 -25.8 -6.0 1087 334 B K H 3X S+ 0 0 80 -4,-1.1 4,-1.1 -5,-0.4 -1,-0.3 0.778 102.3 54.3 -72.7 -20.4 12.5 -27.5 -7.7 1088 335 B N H S+ 0 0 0 -4,-2.8 4,-3.2 1,-0.2 5,-0.6 0.890 103.7 57.9 -63.6 -43.9 15.9 -23.1 -18.2 1096 343 B F H X>S+ 0 0 1 -4,-3.2 4,-1.7 1,-0.2 5,-0.6 0.884 110.6 44.9 -54.5 -39.9 14.4 -19.9 -19.3 1097 344 B H H <5S+ 0 0 113 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.917 115.2 44.5 -71.2 -47.6 17.7 -18.2 -18.5 1098 345 B K H <5S+ 0 0 128 -4,-2.3 -2,-0.2 1,-0.2 -3,-0.2 0.930 119.9 40.4 -64.9 -46.2 20.0 -20.7 -20.0 1099 346 B T H <5S- 0 0 10 -4,-3.2 -1,-0.2 -5,-0.2 -2,-0.2 0.876 98.3-151.2 -68.3 -41.0 18.0 -21.1 -23.2 1100 347 B E T X< + 0 0 116 -4,-1.7 4,-1.0 -5,-0.6 -3,-0.2 0.792 44.2 140.7 79.3 28.3 17.4 -17.4 -23.1 1101 348 B I H >< + 0 0 2 -5,-0.6 4,-3.1 2,-0.2 5,-0.3 0.858 56.9 70.3 -72.7 -35.9 14.1 -17.2 -24.9 1102 349 B M H >> S+ 0 0 2 -6,-0.5 4,-1.4 1,-0.3 3,-0.8 0.952 106.6 42.3 -49.7 -51.6 12.4 -14.6 -22.9 1103 350 B P H 3> S+ 0 0 55 0, 0.0 4,-1.4 0, 0.0 -1,-0.3 0.835 116.3 48.1 -58.0 -36.6 14.8 -12.1 -24.4 1104 351 B F H 3X S+ 0 0 8 -4,-1.0 4,-1.5 1,-0.2 -2,-0.2 0.691 104.8 59.8 -79.2 -20.5 14.5 -13.6 -27.8 1105 352 B L H - 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