==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 06-OCT-99 1D5A . COMPND 2 MOLECULE: PROTEIN (DNA POLYMERASE); . SOURCE 2 ORGANISM_SCIENTIFIC: DESULFUROCOCCUS SP. TOK; . AUTHOR Y.ZHAO,D.JERUZALMI,L.LEIGHTON,R.LASKEN,J.KURIYAN . 733 3 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 37510.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 486 66.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 15 2.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 110 15.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 1.1 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 . 48 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 70 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 215 29.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 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 1 1 0 2 4 2 1 0 0 0 0 5 0 0 1 0 0 0 1 0 0 0 1 0 0 0 1 RESIDUES PER ALPHA HELIX . 1 0 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 0 PARALLEL BRIDGES PER LADDER . 3 0 2 7 2 1 1 2 1 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 . 3 2 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 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 34 0, 0.0 20,-1.5 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 122.3 9.5 47.0 34.8 2 2 A I E +A 20 0A 19 125,-0.4 127,-1.9 18,-0.2 18,-0.2 -0.629 360.0 179.1 -76.1 126.9 13.0 48.1 35.7 3 3 A L E - 0 0 3 16,-3.5 338,-0.4 -2,-0.4 339,-0.3 0.798 59.8 -38.6 -97.8 -36.4 14.3 50.5 33.1 4 4 A D E -A 19 0A 21 15,-1.2 15,-2.0 336,-0.1 -1,-0.4 -0.961 49.1-138.9-171.0-177.9 17.7 51.3 34.6 5 5 A A E +A 18 0A 9 -2,-0.3 2,-0.3 13,-0.2 13,-0.2 -0.974 24.2 146.7-160.1 144.9 19.8 52.0 37.7 6 6 A D E -A 17 0A 18 11,-2.1 11,-3.0 -2,-0.3 2,-0.3 -0.845 31.8-115.3-156.6-166.1 22.5 54.2 39.0 7 7 A Y E -A 16 0A 66 9,-0.3 2,-0.3 -2,-0.3 9,-0.2 -0.958 12.8-163.9-144.3 162.3 23.7 55.9 42.1 8 8 A I E -A 15 0A 64 7,-1.9 7,-2.4 -2,-0.3 2,-0.5 -0.878 24.3-119.5-136.2 166.0 24.2 59.4 43.6 9 9 A T E -A 14 0A 69 -2,-0.3 2,-0.5 5,-0.2 80,-0.0 -0.952 22.4-177.0-119.0 133.7 26.1 60.5 46.6 10 10 A E E > S-A 13 0A 93 3,-2.1 3,-2.2 -2,-0.5 -2,-0.0 -0.992 77.7 -19.6-129.0 118.6 24.7 62.3 49.7 11 11 A D T 3 S- 0 0 165 -2,-0.5 -1,-0.1 1,-0.3 -2,-0.0 0.835 128.2 -52.7 51.8 37.6 27.0 63.4 52.4 12 12 A G T 3 S+ 0 0 40 1,-0.2 -1,-0.3 76,-0.0 -3,-0.0 0.496 114.4 113.9 81.0 3.5 29.6 60.9 51.2 13 13 A K E < -A 10 0A 143 -3,-2.2 -3,-2.1 76,-0.1 -1,-0.2 -0.907 67.0-115.4-112.5 139.7 27.3 57.8 51.2 14 14 A P E -A 9 0A 10 0, 0.0 2,-0.4 0, 0.0 20,-0.2 -0.443 27.0-170.7 -72.7 134.3 26.1 55.9 48.1 15 15 A V E -A 8 0A 6 -7,-2.4 -7,-1.9 -2,-0.2 17,-0.2 -0.968 14.3-141.7-132.3 116.7 22.4 55.8 47.2 16 16 A I E -AB 7 31A 1 15,-2.5 15,-1.6 -2,-0.4 2,-0.5 -0.515 10.6-161.3 -74.7 138.0 21.0 53.5 44.6 17 17 A R E -AB 6 30A 23 -11,-3.0 -11,-2.1 -2,-0.2 2,-0.6 -0.991 3.1-166.3-122.4 121.1 18.3 54.8 42.3 18 18 A V E -AB 5 29A 4 11,-2.4 11,-2.0 -2,-0.5 2,-0.6 -0.940 12.8-145.0-109.9 115.2 16.3 52.2 40.5 19 19 A F E +AB 4 28A 3 -15,-2.0 -16,-3.5 -2,-0.6 -15,-1.2 -0.708 26.4 178.1 -85.8 121.1 14.1 53.6 37.6 20 20 A K E -AB 2 27A 45 7,-1.6 7,-2.1 -2,-0.6 2,-0.3 -0.778 30.1-157.8-121.4 165.4 10.8 51.8 37.2 21 21 A K E + B 0 26A 26 -20,-1.5 2,-0.5 -2,-0.3 5,-0.2 -0.886 25.4 169.0-140.6 98.0 7.6 51.9 35.1 22 22 A E E > - B 0 25A 64 3,-2.6 3,-0.7 -2,-0.3 -2,-0.0 -0.962 65.7 -24.0-121.5 118.4 4.7 50.2 36.9 23 23 A K T 3 S- 0 0 182 -2,-0.5 -1,-0.2 1,-0.2 3,-0.1 0.950 127.6 -42.4 47.0 67.7 1.1 50.4 35.6 24 24 A G T 3 S+ 0 0 60 110,-0.2 2,-0.5 1,-0.1 -1,-0.2 0.645 117.9 116.2 58.0 16.5 1.4 53.7 33.7 25 25 A E E < -B 22 0A 113 -3,-0.7 -3,-2.6 2,-0.0 2,-0.3 -0.958 56.5-149.1-125.6 121.6 3.5 55.1 36.6 26 26 A F E +B 21 0A 47 -2,-0.5 2,-0.3 -5,-0.2 -5,-0.2 -0.641 31.9 170.3 -79.3 137.7 7.1 56.3 36.5 27 27 A K E -B 20 0A 90 -7,-2.1 -7,-1.6 -2,-0.3 2,-0.3 -0.886 30.3-143.2-143.0 174.0 8.8 55.7 39.9 28 28 A I E -B 19 0A 42 -2,-0.3 2,-0.5 -9,-0.2 -9,-0.2 -0.866 10.7-160.1-146.2 107.8 12.2 55.8 41.6 29 29 A D E -B 18 0A 70 -11,-2.0 -11,-2.4 -2,-0.3 2,-0.3 -0.777 12.5-154.9 -88.9 127.1 13.1 53.4 44.4 30 30 A Y E -B 17 0A 130 -2,-0.5 2,-0.4 -13,-0.2 -13,-0.2 -0.794 9.2-170.7-101.4 146.7 16.0 54.5 46.6 31 31 A D E +B 16 0A 25 -15,-1.6 -15,-2.5 -2,-0.3 3,-0.2 -0.969 12.8 172.3-139.1 118.5 18.2 52.1 48.5 32 32 A R + 0 0 147 -2,-0.4 -1,-0.1 -17,-0.2 -2,-0.0 0.513 68.2 71.3-102.4 -9.4 20.7 53.4 51.0 33 33 A D + 0 0 137 -17,-0.1 2,-0.5 2,-0.0 -1,-0.1 0.168 64.4 108.7-100.4 20.7 21.8 50.1 52.5 34 34 A F - 0 0 22 -20,-0.2 86,-0.1 -3,-0.2 -3,-0.0 -0.831 50.9-159.5 -97.6 131.3 23.9 48.6 49.7 35 35 A E - 0 0 63 -2,-0.5 53,-0.1 54,-0.1 54,-0.1 -0.909 12.7-122.7-118.5 141.2 27.6 48.4 50.3 36 36 A P + 0 0 6 0, 0.0 51,-1.6 0, 0.0 2,-0.3 -0.222 38.5 159.2 -68.0 159.3 30.7 48.1 48.0 37 37 A Y E -C 86 0B 15 49,-0.2 2,-0.3 74,-0.1 49,-0.2 -0.974 26.0-160.8-168.4 176.1 33.3 45.3 48.4 38 38 A I E -C 85 0B 0 47,-1.0 47,-2.1 -2,-0.3 2,-0.4 -0.888 26.4-116.0-154.8 175.5 36.0 43.2 46.9 39 39 A Y E -CD 84 110B 9 71,-1.8 71,-2.7 -2,-0.3 2,-0.4 -0.952 21.3-165.3-125.2 148.7 37.6 39.8 47.8 40 40 A A E -CD 83 109B 0 43,-2.1 43,-2.6 -2,-0.4 2,-0.7 -0.993 13.8-144.4-134.4 140.6 41.1 39.0 49.0 41 41 A L E - D 0 108B 44 67,-2.4 66,-2.2 -2,-0.4 67,-0.8 -0.917 26.2-164.3-105.9 112.8 42.9 35.7 49.2 42 42 A L E - D 0 106B 26 -2,-0.7 64,-0.2 64,-0.2 3,-0.1 -0.740 26.7-143.0-104.2 148.3 45.3 35.7 52.2 43 43 A K S S+ 0 0 156 62,-0.8 2,-0.5 -2,-0.3 -1,-0.1 0.868 94.9 34.6 -69.8 -39.1 48.2 33.4 53.2 44 44 A D S > S- 0 0 83 61,-0.3 3,-2.6 1,-0.1 -1,-0.2 -0.973 71.6-144.3-126.2 120.8 47.3 33.5 56.9 45 45 A D T 3 S+ 0 0 71 -2,-0.5 3,-0.1 1,-0.3 -1,-0.1 0.349 102.5 52.1 -62.9 8.2 43.8 33.7 58.2 46 46 A S T 3 S+ 0 0 80 2,-0.1 3,-0.4 1,-0.1 -1,-0.3 0.295 82.9 85.6-125.1 4.9 45.0 35.9 61.1 47 47 A A < + 0 0 18 -3,-2.6 4,-0.4 1,-0.2 -2,-0.1 0.187 69.7 89.4 -89.7 15.5 46.8 38.5 59.0 48 48 A I S >> S+ 0 0 18 2,-0.2 4,-2.6 1,-0.2 3,-1.0 0.873 72.4 60.1 -81.3 -41.3 43.4 40.3 58.5 49 49 A E T 34 S+ 0 0 119 -3,-0.4 -1,-0.2 1,-0.3 -2,-0.1 0.818 106.4 53.4 -57.1 -28.1 43.4 42.6 61.5 50 50 A D T 34 S+ 0 0 89 -4,-0.2 3,-0.5 1,-0.2 -1,-0.3 0.758 109.4 46.9 -77.6 -26.6 46.6 44.0 59.9 51 51 A I T X4 S+ 0 0 4 -3,-1.0 3,-2.8 -4,-0.4 -2,-0.2 0.841 96.0 69.7 -83.8 -35.1 44.7 44.5 56.6 52 52 A K T 3< S+ 0 0 79 -4,-2.6 13,-0.3 1,-0.3 -1,-0.2 0.463 97.4 60.0 -61.0 3.0 41.7 46.2 58.1 53 53 A K T 3 S+ 0 0 150 -3,-0.5 -1,-0.3 -5,-0.2 -2,-0.2 0.391 73.0 115.5-110.7 -2.2 44.2 49.0 58.8 54 54 A I < - 0 0 34 -3,-2.8 11,-0.5 46,-0.0 2,-0.3 -0.472 46.1-178.1 -68.0 141.2 45.2 49.8 55.2 55 55 A T E -G 64 0C 68 9,-0.1 2,-0.3 -2,-0.1 9,-0.2 -0.885 15.7-179.8-138.2 169.8 44.1 53.3 54.2 56 56 A A E -G 63 0C 7 7,-1.1 7,-3.2 -2,-0.3 2,-0.4 -0.923 22.4-116.5-156.8 177.4 44.1 55.7 51.3 57 57 A E E +G 62 0C 165 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.988 25.0 168.0-133.7 134.0 43.1 59.2 50.4 58 58 A R E > S-G 61 0C 69 3,-1.6 3,-0.8 -2,-0.4 -2,-0.0 -0.894 75.3 -18.0-147.7 112.1 40.6 60.6 47.8 59 59 A H T 3 S- 0 0 168 -2,-0.3 3,-0.1 1,-0.2 -1,-0.0 0.890 126.0 -49.3 61.2 46.4 39.4 64.2 47.8 60 60 A G T 3 S+ 0 0 85 1,-0.3 2,-0.3 0, 0.0 -1,-0.2 0.511 114.9 112.8 76.3 4.3 40.6 65.1 51.3 61 61 A T E < -G 58 0C 84 -3,-0.8 -3,-1.6 0, 0.0 2,-0.5 -0.765 66.5-123.3-109.7 154.7 38.9 62.0 52.9 62 62 A T E -G 57 0C 84 -2,-0.3 2,-0.5 -5,-0.2 -5,-0.2 -0.860 23.8-146.1 -99.4 126.6 40.4 59.0 54.5 63 63 A V E +G 56 0C 2 -7,-3.2 -7,-1.1 -2,-0.5 2,-0.3 -0.799 25.0 169.8 -96.9 129.6 39.4 55.6 53.0 64 64 A R E -G 55 0C 162 -2,-0.5 2,-0.7 -9,-0.2 24,-0.4 -0.905 41.8-100.9-137.4 163.8 39.1 52.5 55.2 65 65 A V - 0 0 12 -11,-0.5 22,-0.2 -13,-0.3 3,-0.1 -0.750 30.6-161.4 -82.9 112.2 37.9 48.9 55.2 66 66 A T - 0 0 71 20,-1.9 2,-0.3 -2,-0.7 -1,-0.2 0.896 61.4 -32.3 -63.8 -44.1 34.5 49.0 57.0 67 67 A R E -E 86 0B 77 19,-0.6 19,-2.6 2,-0.0 2,-0.3 -0.977 54.8-136.2-170.5 164.1 34.4 45.4 57.9 68 68 A A E -E 85 0B 17 -2,-0.3 2,-0.3 17,-0.2 17,-0.2 -0.938 9.8-171.4-134.7 155.6 35.4 41.9 56.8 69 69 A E E -E 84 0B 79 15,-1.3 15,-3.2 -2,-0.3 2,-0.5 -0.995 25.3-125.4-145.4 139.0 33.8 38.4 56.6 70 70 A R E -E 83 0B 132 -2,-0.3 2,-0.4 13,-0.2 13,-0.2 -0.747 36.8-170.0 -86.4 130.9 35.4 35.0 55.8 71 71 A V E -E 82 0B 35 11,-3.3 11,-2.0 -2,-0.5 2,-0.5 -0.951 23.1-138.0-130.3 145.1 33.5 33.4 53.0 72 72 A K E +E 81 0B 160 -2,-0.4 2,-0.2 9,-0.2 9,-0.2 -0.865 42.0 143.5 -99.4 123.9 33.4 30.0 51.3 73 73 A K E -E 80 0B 14 7,-2.0 7,-1.5 -2,-0.5 2,-0.3 -0.630 42.8-108.3-137.7-163.5 33.3 30.1 47.5 74 74 A K E -Ef 79 366B 84 291,-1.0 293,-2.9 5,-0.3 2,-0.4 -0.994 18.9-166.0-139.7 141.2 34.6 28.3 44.4 75 75 A F S S- 0 0 51 3,-2.5 3,-0.4 -2,-0.3 293,-0.1 -0.981 76.2 -23.8-132.7 119.8 37.2 29.3 41.9 76 76 A L S S- 0 0 61 -2,-0.4 2,-1.2 291,-0.4 -1,-0.1 0.880 125.7 -53.8 45.1 46.4 37.6 27.5 38.6 77 77 A G S S+ 0 0 27 1,-0.1 -1,-0.3 345,-0.0 345,-0.0 -0.572 120.0 99.0 95.0 -71.3 36.0 24.5 40.1 78 78 A R S S- 0 0 164 -2,-1.2 -3,-2.5 -3,-0.4 -1,-0.1 -0.280 77.6-120.3 -55.5 124.2 38.2 24.0 43.2 79 79 A P E - E 0 74B 110 0, 0.0 2,-0.3 0, 0.0 -5,-0.3 -0.322 36.4-174.3 -65.8 149.4 36.6 25.5 46.4 80 80 A V E - E 0 73B 41 -7,-1.5 -7,-2.0 2,-0.0 2,-0.4 -0.972 24.1-122.5-146.6 159.1 38.6 28.3 48.1 81 81 A E E + E 0 72B 67 -2,-0.3 2,-0.3 -9,-0.2 -39,-0.2 -0.883 37.9 161.2-105.2 132.4 38.6 30.5 51.2 82 82 A V E - E 0 71B 4 -11,-2.0 -11,-3.3 -2,-0.4 2,-0.4 -0.976 34.6-119.6-147.5 159.9 38.5 34.3 50.9 83 83 A W E -CE 40 70B 40 -43,-2.6 -43,-2.1 -2,-0.3 2,-0.6 -0.861 18.2-142.7-104.6 137.1 37.7 37.4 52.8 84 84 A K E -CE 39 69B 29 -15,-3.2 -15,-1.3 -2,-0.4 2,-0.6 -0.873 18.0-162.3 -98.2 118.0 35.1 39.8 51.8 85 85 A L E -CE 38 68B 6 -47,-2.1 -47,-1.0 -2,-0.6 -17,-0.2 -0.904 4.2-158.5-107.6 117.1 36.2 43.4 52.5 86 86 A Y E -CE 37 67B 16 -19,-2.6 -20,-1.9 -2,-0.6 -19,-0.6 -0.551 7.9-172.1 -92.7 156.7 33.5 46.2 52.6 87 87 A F - 0 0 2 -51,-1.6 -22,-0.1 -22,-0.2 -24,-0.0 -0.765 30.3-117.8-133.7-178.9 34.0 49.9 52.1 88 88 A T S S+ 0 0 73 -24,-0.4 -1,-0.1 1,-0.3 -23,-0.1 0.905 94.3 24.9 -89.3 -49.7 31.8 53.0 52.4 89 89 A H S >> S- 0 0 5 -76,-0.1 3,-2.1 -54,-0.1 4,-0.6 -0.944 71.5-130.1-120.7 139.2 31.8 54.4 48.9 90 90 A P T >4 S+ 0 0 17 0, 0.0 3,-0.6 0, 0.0 -1,-0.1 0.804 107.2 64.2 -56.7 -28.5 32.4 52.5 45.7 91 91 A Q T 3> S+ 0 0 92 1,-0.2 4,-0.6 2,-0.2 0, 0.0 0.672 88.2 70.1 -70.4 -15.2 34.9 55.1 44.6 92 92 A D H X> S+ 0 0 12 -3,-2.1 4,-2.2 1,-0.2 3,-1.2 0.917 86.7 67.9 -65.5 -41.7 37.1 54.1 47.5 93 93 A V H > S+ 0 0 119 -4,-0.2 4,-0.6 1,-0.2 3,-0.5 0.695 105.5 59.3 -82.1 -21.9 47.7 48.9 48.1 100 100 A I H 3< S+ 0 0 1 -4,-0.5 -2,-0.2 -3,-0.4 -1,-0.2 0.798 109.0 41.9 -78.5 -28.9 45.7 46.0 49.3 101 101 A R T 3< S+ 0 0 89 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.1 0.171 104.5 67.3-101.4 17.9 47.2 43.5 46.9 102 102 A E T <4 S+ 0 0 155 -3,-0.5 -1,-0.2 -5,-0.1 -2,-0.2 0.614 79.2 102.1-103.3 -21.6 50.7 45.0 47.4 103 103 A H S >< S- 0 0 31 -4,-0.6 3,-1.1 -3,-0.1 -52,-0.0 -0.292 79.9-124.4 -63.2 143.3 50.7 43.6 51.0 104 104 A P T 3 S+ 0 0 102 0, 0.0 -1,-0.1 0, 0.0 -61,-0.1 0.800 106.0 58.0 -59.8 -35.9 52.7 40.4 51.6 105 105 A A T 3 S+ 0 0 14 -58,-0.1 -62,-0.8 -63,-0.1 2,-0.4 0.076 95.6 80.3 -86.8 26.0 49.8 38.4 53.2 106 106 A V E < +D 42 0B 11 -3,-1.1 -64,-0.2 -64,-0.2 3,-0.1 -0.957 47.2 178.7-137.8 116.0 47.8 38.8 50.0 107 107 A V E S- 0 0 78 -66,-2.2 2,-0.3 -2,-0.4 -65,-0.1 0.855 72.2 -20.4 -81.2 -38.9 48.2 36.7 46.8 108 108 A D E -D 41 0B 48 -67,-0.8 -67,-2.4 -8,-0.1 2,-0.3 -0.986 50.1-134.8-169.1 157.4 45.4 38.4 44.9 109 109 A I E -D 40 0B 0 -2,-0.3 2,-0.3 -69,-0.2 -69,-0.2 -0.897 25.5-160.2-116.5 147.4 42.2 40.5 45.0 110 110 A Y E +D 39 0B 24 -71,-2.7 -71,-1.8 -2,-0.3 260,-0.1 -0.842 57.2 17.8-128.8 165.8 39.0 39.8 43.0 111 111 A E S S+ 0 0 10 257,-0.4 -1,-0.2 -2,-0.3 -74,-0.1 0.907 72.4 136.2 41.1 61.8 35.9 41.4 41.7 112 112 A Y + 0 0 24 -3,-0.2 -1,-0.1 -74,-0.1 -15,-0.1 0.169 60.6 51.9-118.9 12.3 37.1 45.0 42.2 113 113 A D + 0 0 47 2,-0.1 -1,-0.1 -20,-0.0 -2,-0.1 -0.010 67.9 122.4-140.0 33.2 36.0 46.6 39.0 114 114 A I S S- 0 0 21 -3,-0.1 5,-0.1 2,-0.0 0, 0.0 -0.876 71.0-112.5 -97.9 110.8 32.3 45.9 38.7 115 115 A P >> - 0 0 68 0, 0.0 4,-2.1 0, 0.0 3,-0.6 -0.102 25.3-119.6 -44.6 137.1 30.4 49.2 38.5 116 116 A F H 3> S+ 0 0 14 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.833 107.9 48.9 -49.8 -47.6 28.3 49.8 41.6 117 117 A A H 3> S+ 0 0 14 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.822 114.7 45.2 -67.8 -31.7 24.8 50.0 40.0 118 118 A K H <> S+ 0 0 41 -3,-0.6 4,-2.3 2,-0.2 -1,-0.2 0.803 109.0 55.4 -80.3 -28.8 25.4 46.8 38.0 119 119 A R H X S+ 0 0 17 -4,-2.1 4,-3.0 1,-0.2 5,-0.3 0.849 108.2 52.6 -67.7 -33.0 26.8 45.0 41.0 120 120 A Y H X S+ 0 0 14 -4,-1.5 4,-2.5 -5,-0.2 6,-0.3 0.932 108.1 46.4 -68.7 -49.3 23.5 46.1 42.6 121 121 A L H <>S+ 0 0 3 -4,-1.7 5,-1.7 2,-0.2 4,-0.3 0.923 118.3 45.3 -60.0 -42.4 21.2 44.6 39.8 122 122 A I H ><5S+ 0 0 6 -4,-2.3 3,-1.4 3,-0.2 -2,-0.2 0.976 115.8 42.7 -63.8 -59.9 23.4 41.4 40.0 123 123 A D H 3<5S+ 0 0 24 -4,-3.0 -2,-0.2 1,-0.3 -3,-0.2 0.882 117.8 46.4 -56.9 -42.9 23.5 41.0 43.8 124 124 A R T 3<5S- 0 0 104 -4,-2.5 -1,-0.3 -5,-0.3 -2,-0.2 0.464 108.6-125.8 -80.7 -1.1 19.9 41.8 44.3 125 125 A G T < 5 + 0 0 48 -3,-1.4 2,-0.2 -4,-0.3 -3,-0.2 0.712 53.6 157.3 64.6 22.0 18.9 39.5 41.4 126 126 A L < - 0 0 55 -5,-1.7 -1,-0.2 -6,-0.3 -2,-0.1 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113 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.836 105.2 -1.2 -60.9 -36.9 28.3 48.2 2.0 272 272 A T S S- 0 0 68 5,-0.1 2,-0.3 2,-0.1 -3,-0.0 -0.940 76.8-129.9-158.1 132.6 27.4 51.6 3.5 273 273 A Y + 0 0 39 -2,-0.3 2,-0.3 -3,-0.2 5,-0.0 -0.690 33.4 151.4 -95.5 142.5 24.8 52.5 6.2 274 274 A T > - 0 0 42 -2,-0.3 4,-1.1 1,-0.0 5,-0.3 -0.968 56.7-110.6-160.1 148.2 22.2 55.3 5.9 275 275 A L H > S+ 0 0 16 -2,-0.3 4,-0.7 1,-0.2 -1,-0.0 0.812 124.3 44.2 -52.7 -27.5 18.7 55.8 7.4 276 276 A E H > S+ 0 0 5 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.906 111.4 48.3 -84.3 -47.3 17.6 55.3 3.8 277 277 A T H 4 S+ 0 0 21 1,-0.2 -2,-0.2 2,-0.2 -1,-0.2 0.442 115.5 48.2 -74.6 0.5 19.7 52.3 2.8 278 278 A V H X S+ 0 0 0 -4,-1.1 4,-1.3 2,-0.1 -1,-0.2 0.627 101.9 60.2-109.5 -25.4 18.6 50.6 6.1 279 279 A Y H X S+ 0 0 17 -4,-0.7 4,-2.6 -5,-0.3 6,-0.2 0.823 107.0 49.1 -71.4 -31.0 14.9 51.3 5.7 280 280 A E H < S+ 0 0 83 -4,-1.2 -1,-0.2 2,-0.2 -2,-0.1 0.923 106.8 51.9 -74.6 -48.6 14.9 49.3 2.5 281 281 A P H 4 S+ 0 0 64 0, 0.0 -2,-0.2 0, 0.0 -1,-0.2 0.859 121.5 35.4 -57.8 -33.1 16.8 46.2 3.7 282 282 A V H < S+ 0 0 49 -4,-1.3 2,-0.3 1,-0.2 -2,-0.2 0.885 130.0 28.8 -86.8 -44.4 14.3 46.0 6.6 283 283 A F S < S- 0 0 54 -4,-2.6 -1,-0.2 2,-0.2 39,-0.0 -0.885 79.3-124.3-116.7 150.1 11.2 47.2 4.7 284 284 A G S S+ 0 0 82 -2,-0.3 -4,-0.1 -3,-0.1 -1,-0.1 0.708 81.9 99.4 -64.9 -18.9 10.5 46.8 1.0 285 285 A Q - 0 0 130 -6,-0.2 -2,-0.2 1,-0.1 -3,-0.1 -0.471 63.9-143.4 -76.9 137.4 10.0 50.5 0.5 286 286 A P - 0 0 94 0, 0.0 2,-0.3 0, 0.0 -9,-0.1 -0.329 17.0-151.1 -85.4 174.0 12.8 52.9 -0.8 287 287 A A - 0 0 31 -2,-0.1 2,-0.1 -11,-0.0 -7,-0.1 -0.987 14.8-109.8-156.2 143.7 13.3 56.4 0.4 288 288 A E + 0 0 98 -2,-0.3 2,-0.2 1,-0.0 3,-0.1 -0.353 48.2 144.9 -70.4 148.4 14.6 59.8 -0.8 289 289 A K + 0 0 83 1,-0.1 -1,-0.0 -2,-0.1 22,-0.0 -0.853 25.6 89.9-160.5-165.9 17.9 61.2 0.5 290 290 A V + 0 0 57 -2,-0.2 4,-0.3 1,-0.1 3,-0.3 0.946 42.7 152.3 62.3 53.9 21.1 63.2 -0.1 291 291 A Y + 0 0 9 1,-0.2 4,-0.3 2,-0.1 -1,-0.1 0.008 29.2 116.6-100.1 26.6 19.7 66.5 0.9 292 292 A A S S+ 0 0 28 385,-0.2 3,-0.4 1,-0.2 4,-0.4 0.960 90.2 21.2 -59.4 -52.6 23.1 67.9 2.1 293 293 A E S >> S+ 0 0 106 -3,-0.3 4,-1.2 1,-0.2 3,-0.8 0.836 110.6 73.1 -86.8 -34.1 23.2 70.6 -0.6 294 294 A E H 3> S+ 0 0 59 -4,-0.3 4,-1.1 1,-0.2 -1,-0.2 0.427 90.3 65.5 -61.7 2.7 19.5 70.9 -1.4 295 295 A I H 3> S+ 0 0 20 -3,-0.4 4,-2.0 -4,-0.3 5,-0.3 0.870 95.7 50.6 -91.1 -45.8 19.0 72.6 2.0 296 296 A A H <> S+ 0 0 22 -3,-0.8 4,-2.6 -4,-0.4 5,-0.3 0.922 115.2 46.9 -55.4 -46.2 21.0 75.8 1.4 297 297 A E H X S+ 0 0 124 -4,-1.2 4,-2.5 1,-0.2 -2,-0.2 0.993 113.5 43.4 -58.3 -69.9 19.0 76.2 -1.8 298 298 A A H < S+ 0 0 7 -4,-1.1 7,-0.2 1,-0.2 -1,-0.2 0.716 117.5 48.8 -52.1 -26.1 15.5 75.6 -0.5 299 299 A W H < S+ 0 0 59 -4,-2.0 3,-0.2 1,-0.1 -1,-0.2 0.925 116.7 37.9 -82.8 -47.2 16.2 77.7 2.6 300 300 A A H < S+ 0 0 94 -4,-2.6 2,-0.8 -5,-0.3 -2,-0.2 0.717 115.7 64.1 -72.3 -18.5 17.7 80.7 0.8 301 301 A S S >< S- 0 0 70 -4,-2.5 3,-2.4 -5,-0.3 -1,-0.3 -0.684 85.4-152.6-107.4 75.1 14.9 79.9 -1.8 302 302 A G G > S+ 0 0 38 -2,-0.8 3,-0.7 1,-0.3 -1,-0.2 0.559 84.6 37.9 -8.7 -70.8 11.7 80.5 0.2 303 303 A E G > S+ 0 0 164 1,-0.2 3,-1.5 2,-0.1 -1,-0.3 0.696 94.2 80.7 -71.2 -22.6 9.3 78.2 -1.6 304 304 A G G < S+ 0 0 36 -3,-2.4 4,-0.4 1,-0.3 3,-0.4 0.365 76.2 82.4 -68.1 11.6 11.6 75.3 -2.3 305 305 A L G <> + 0 0 5 -3,-0.7 4,-1.7 -7,-0.2 -1,-0.3 0.652 61.3 84.6 -89.6 -18.0 11.0 74.2 1.3 306 306 A E T <4 S+ 0 0 112 -3,-1.5 4,-0.3 1,-0.2 -1,-0.2 0.713 94.9 49.1 -57.5 -19.2 7.7 72.4 0.8 307 307 A R T >> S+ 0 0 126 -3,-0.4 4,-1.5 -4,-0.2 3,-1.0 0.840 104.3 55.7 -87.6 -38.8 9.8 69.3 -0.1 308 308 A V H 3> S+ 0 0 7 -4,-0.4 4,-1.7 1,-0.2 -2,-0.2 0.812 98.6 64.6 -63.5 -30.3 12.2 69.5 2.9 309 309 A A H 3X S+ 0 0 3 -4,-1.7 4,-1.4 1,-0.2 -1,-0.2 0.768 103.6 46.0 -65.2 -27.5 9.2 69.3 5.2 310 310 A R H <> S+ 0 0 143 -3,-1.0 4,-1.6 -4,-0.3 -1,-0.2 0.850 108.7 54.8 -81.5 -37.5 8.3 65.8 3.9 311 311 A Y H X S+ 0 0 35 -4,-1.5 4,-2.1 2,-0.2 -2,-0.2 0.821 106.3 56.5 -62.3 -31.4 12.0 64.7 4.2 312 312 A S H X S+ 0 0 0 -4,-1.7 4,-1.7 2,-0.2 5,-0.2 0.981 110.1 38.4 -66.3 -60.4 11.8 65.8 7.8 313 313 A M H X S+ 0 0 41 -4,-1.4 4,-3.0 1,-0.2 5,-0.2 0.735 110.3 66.3 -65.6 -19.8 8.8 63.7 9.0 314 314 A E H X S+ 0 0 46 -4,-1.6 4,-3.6 2,-0.2 5,-0.3 0.999 101.4 45.8 -60.6 -62.9 10.3 61.0 6.8 315 315 A D H X S+ 0 0 11 -4,-2.1 4,-3.2 1,-0.2 5,-0.3 0.917 119.0 41.1 -41.1 -62.0 13.3 60.7 9.0 316 316 A A H X S+ 0 0 0 -4,-1.7 4,-2.3 1,-0.2 -153,-0.2 0.882 116.4 49.8 -57.2 -42.1 11.2 60.7 12.2 317 317 A K H X S+ 0 0 86 -4,-3.0 4,-1.4 -5,-0.2 -2,-0.2 0.940 116.7 41.2 -63.0 -48.6 8.5 58.4 10.7 318 318 A A H >X S+ 0 0 10 -4,-3.6 4,-2.3 -5,-0.2 3,-0.7 0.968 114.8 49.3 -62.5 -58.1 11.1 55.9 9.5 319 319 A T H 3X S+ 0 0 5 -4,-3.2 4,-2.6 -5,-0.3 5,-0.3 0.883 110.2 52.7 -52.1 -41.6 13.3 56.0 12.6 320 320 A Y H 3X S+ 0 0 14 -4,-2.3 4,-0.7 -5,-0.3 -1,-0.3 0.865 111.9 46.7 -63.8 -33.3 10.1 55.5 14.7 321 321 A E H << S+ 0 0 47 -4,-1.4 -2,-0.2 -3,-0.7 -1,-0.2 0.787 112.8 48.1 -78.6 -28.7 9.3 52.5 12.5 322 322 A L H >X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 3,-2.1 0.928 111.1 48.7 -75.0 -49.4 12.8 51.0 12.7 323 323 A G H 3X S+ 0 0 0 -4,-2.6 4,-1.9 1,-0.3 -1,-0.2 0.775 104.2 62.1 -61.9 -24.3 13.1 51.3 16.5 324 324 A K H 3< S+ 0 0 92 -4,-0.7 -1,-0.3 -5,-0.3 -2,-0.2 0.623 110.4 41.4 -76.7 -10.4 9.7 49.7 16.7 325 325 A E H <4 S+ 0 0 66 -3,-2.1 4,-0.4 -4,-0.1 -2,-0.2 0.823 120.1 37.8-101.2 -43.9 11.3 46.7 15.1 326 326 A F H X S+ 0 0 13 -4,-2.3 4,-2.3 1,-0.2 3,-0.4 0.754 101.0 72.8 -82.1 -26.6 14.7 46.5 16.9 327 327 A F H X S+ 0 0 12 -4,-1.9 4,-3.4 -5,-0.3 5,-0.2 0.927 93.1 53.8 -56.0 -49.9 13.6 47.5 20.4 328 328 A P H > S+ 0 0 30 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.851 110.6 48.7 -55.7 -33.9 11.8 44.2 21.1 329 329 A M H > S+ 0 0 17 -4,-0.4 4,-2.0 -3,-0.4 -2,-0.2 0.963 114.3 42.5 -70.7 -51.4 15.0 42.3 20.2 330 330 A E H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 5,-0.2 0.864 111.2 57.8 -61.6 -35.8 17.2 44.5 22.4 331 331 A A H X S+ 0 0 16 -4,-3.4 4,-1.8 -5,-0.3 -1,-0.2 0.897 108.0 47.1 -60.7 -40.1 14.6 44.4 25.1 332 332 A Q H X S+ 0 0 16 -4,-1.6 4,-1.8 -5,-0.2 -2,-0.2 0.835 110.5 50.8 -70.9 -36.0 14.8 40.6 25.0 333 333 A L H X S+ 0 0 0 -4,-2.0 4,-3.1 2,-0.2 5,-0.3 0.955 109.9 50.8 -64.1 -48.1 18.7 40.6 25.1 334 334 A S H X>S+ 0 0 0 -4,-2.6 4,-3.5 1,-0.2 5,-0.9 0.907 110.8 48.1 -52.5 -50.0 18.6 42.9 28.1 335 335 A R H <5S+ 0 0 79 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.882 115.6 45.5 -59.3 -40.7 16.2 40.6 30.0 336 336 A L H <5S+ 0 0 37 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.855 120.4 38.0 -72.8 -37.6 18.4 37.6 29.1 337 337 A V H <5S- 0 0 1 -4,-3.1 -2,-0.2 2,-0.2 -3,-0.2 0.816 103.8-126.4 -84.7 -36.4 21.7 39.3 30.1 338 338 A G T <5 + 0 0 1 -4,-3.5 2,-0.3 1,-0.4 -3,-0.2 0.760 69.3 100.3 95.6 27.1 20.5 41.2 33.1 339 339 A Q S - 0 0 1 -2,-0.3 4,-2.3 1,-0.1 3,-0.3 -0.134 36.9-120.9 -55.6 152.2 19.8 47.9 31.0 341 341 A L H > S+ 0 0 0 -338,-0.4 4,-2.2 1,-0.2 -1,-0.1 0.751 111.6 64.2 -65.9 -24.2 18.9 48.1 27.3 342 342 A W H 4 S+ 0 0 12 -339,-0.3 4,-0.4 2,-0.2 -1,-0.2 0.939 109.7 37.2 -64.6 -48.0 21.1 51.3 27.2 343 343 A D H 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16.5 32.1 443 443 A K + 0 0 64 -13,-3.5 -12,-0.2 -2,-0.1 -1,-0.1 0.143 58.6 97.4-120.5 18.7 34.4 14.9 32.0 444 444 A D S S+ 0 0 80 -14,-0.4 -1,-0.1 1,-0.2 -13,-0.1 0.774 96.8 19.2 -77.1 -25.5 34.0 13.8 35.7 445 445 A F S S- 0 0 66 -3,-0.1 2,-0.3 -28,-0.1 -1,-0.2 -0.991 92.2 -95.7-144.0 149.3 32.0 17.0 36.4 446 446 A P - 0 0 101 0, 0.0 -3,-0.1 0, 0.0 -2,-0.0 -0.478 42.9-126.0 -68.0 125.6 30.1 19.6 34.3 447 447 A G > - 0 0 0 -2,-0.3 4,-1.7 -5,-0.2 5,-0.2 -0.301 18.2-114.9 -69.3 157.0 32.2 22.6 33.5 448 448 A F H > S+ 0 0 11 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.961 111.4 34.8 -55.9 -60.1 30.9 26.1 34.4 449 449 A I H > S+ 0 0 1 1,-0.2 4,-2.5 2,-0.2 5,-0.3 0.931 116.4 52.4 -65.6 -49.1 30.6 27.4 30.8 450 450 A P H > S+ 0 0 6 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.848 109.9 52.4 -57.2 -31.7 29.5 24.2 29.1 451 451 A S H X S+ 0 0 34 -4,-1.7 4,-1.6 2,-0.2 -2,-0.2 0.912 111.1 44.8 -70.6 -43.2 26.8 23.8 31.7 452 452 A L H X S+ 0 0 4 -4,-1.7 4,-1.5 2,-0.2 -1,-0.2 0.843 113.2 50.6 -70.8 -33.5 25.4 27.3 31.1 453 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463 A V H X S+ 0 0 6 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.889 110.2 49.6 -72.8 -38.3 10.8 28.5 23.1 464 464 A K H X S+ 0 0 55 -4,-2.1 4,-1.2 2,-0.2 -2,-0.2 0.864 108.1 53.5 -68.0 -35.8 10.7 27.5 19.5 465 465 A K H >X S+ 0 0 146 -4,-1.7 4,-0.9 1,-0.2 3,-0.6 0.962 112.4 47.1 -59.2 -51.3 8.4 24.5 20.3 466 466 A K H 3X S+ 0 0 102 -4,-1.8 4,-1.0 1,-0.2 3,-0.5 0.872 109.2 50.2 -61.0 -42.1 6.1 27.1 22.0 467 467 A M H 3< S+ 0 0 24 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.699 110.7 50.9 -74.5 -14.7 6.1 29.7 19.2 468 468 A K H << S+ 0 0 163 -4,-1.2 -1,-0.2 -3,-0.6 -2,-0.2 0.639 112.2 47.0 -90.9 -15.5 5.2 27.0 16.6 469 469 A A H < S+ 0 0 82 -4,-0.9 -2,-0.2 -3,-0.5 2,-0.2 0.546 95.1 93.9 -99.8 -10.8 2.3 25.7 18.7 470 470 A T < - 0 0 29 -4,-1.0 -3,-0.0 -5,-0.1 -4,-0.0 -0.515 51.3-167.2 -86.2 152.7 0.8 29.1 19.5 471 471 A V + 0 0 126 -2,-0.2 -1,-0.1 5,-0.0 -4,-0.0 0.569 59.5 103.9-109.3 -19.4 -2.0 30.8 17.5 472 472 A D > - 0 0 78 1,-0.2 4,-2.9 2,-0.1 5,-0.2 -0.557 60.8-153.2 -71.2 113.6 -1.6 34.2 19.0 473 473 A 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