==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-OCT-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/DNA 01-MAY-13 4KHY . COMPND 2 MOLECULE: DNA POLYMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE RB69; . AUTHOR A.R.CLAUSEN,L.C.PEDERSEN . 899 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 39621.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 637 70.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 17 1.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 119 13.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.7 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 . 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 . 73 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 82 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 307 34.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 2.2 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 3 2 0 3 2 3 0 1 1 2 5 1 1 0 0 0 0 0 1 0 0 0 0 0 0 0 3 RESIDUES PER ALPHA HELIX . 0 2 1 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 0 0 PARALLEL BRIDGES PER LADDER . 4 4 3 2 4 3 3 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 . 3 5 0 0 1 0 1 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 0 116 0, 0.0 2,-0.2 0, 0.0 23,-0.1 0.000 360.0 360.0 360.0 161.3 36.4 38.9 29.7 2 2 A K - 0 0 120 100,-0.1 18,-0.0 1,-0.1 2,-0.0 -0.499 360.0-115.0 -68.5 138.7 35.1 42.4 29.2 3 3 A E - 0 0 58 -2,-0.2 2,-0.3 100,-0.1 99,-0.2 -0.316 35.8-176.1 -70.8 157.6 34.1 44.1 32.5 4 4 A F E -A 20 0A 1 16,-1.8 16,-2.9 97,-0.1 100,-0.0 -0.975 22.6-111.2-157.9 146.5 30.5 45.1 33.1 5 5 A Y E -A 19 0A 0 -2,-0.3 14,-0.3 14,-0.2 3,-0.1 -0.247 17.9-175.1 -75.4 161.2 28.5 46.9 35.8 6 6 A L E S- 0 0 1 12,-3.1 347,-0.4 1,-0.5 2,-0.3 0.645 72.0 -6.7-115.0 -59.0 26.0 45.4 38.2 7 7 A T E -A 18 0A 2 11,-1.6 11,-2.2 345,-0.1 -1,-0.5 -0.950 59.0-166.5-137.3 157.7 24.6 48.4 40.1 8 8 A V E +A 17 0A 0 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.992 8.2 176.0-147.2 140.6 25.3 52.1 40.2 9 9 A E E -A 16 0A 14 7,-2.0 7,-2.3 -2,-0.3 2,-0.6 -0.990 26.5-134.5-142.1 149.1 24.3 54.9 42.5 10 10 A Q E +A 15 0A 60 -2,-0.3 2,-0.5 5,-0.2 5,-0.2 -0.938 25.2 175.5-103.1 117.1 24.9 58.6 43.1 11 11 A I E > -A 14 0A 35 3,-3.5 3,-1.5 -2,-0.6 2,-0.4 -0.844 61.8 -63.0-122.9 93.0 25.6 59.3 46.8 12 12 A G T 3 S- 0 0 27 -2,-0.5 53,-0.1 1,-0.3 -1,-0.0 -0.553 120.0 -12.8 68.0-123.6 26.5 63.0 47.2 13 13 A D T 3 S+ 0 0 25 -2,-0.4 2,-0.4 52,-0.1 -1,-0.3 0.296 124.9 87.5 -90.6 9.3 29.7 63.6 45.3 14 14 A S E < -A 11 0A 15 -3,-1.5 -3,-3.5 18,-0.2 2,-0.7 -0.897 62.8-150.3-117.0 138.8 30.3 59.9 44.9 15 15 A I E -AB 10 31A 0 16,-3.3 16,-2.8 -2,-0.4 2,-0.7 -0.930 18.1-157.5 -96.7 114.7 29.3 57.2 42.4 16 16 A F E -AB 9 30A 36 -7,-2.3 -7,-2.0 -2,-0.7 2,-0.4 -0.864 17.8-178.2 -93.4 118.8 29.0 53.9 44.2 17 17 A E E -AB 8 29A 0 12,-2.4 12,-2.4 -2,-0.7 2,-0.5 -0.959 22.8-163.0-123.2 136.2 29.4 51.1 41.7 18 18 A R E +AB 7 28A 1 -11,-2.2 -12,-3.1 -2,-0.4 -11,-1.6 -0.964 31.3 161.2-107.3 131.5 29.2 47.3 42.0 19 19 A Y E -AB 5 27A 26 8,-1.9 8,-3.2 -2,-0.5 2,-0.6 -0.966 43.8-115.2-148.5 160.2 30.8 45.6 38.9 20 20 A I E -AB 4 26A 2 -16,-2.9 -16,-1.8 -2,-0.3 6,-0.2 -0.905 40.9-141.1 -98.2 120.7 32.2 42.3 37.6 21 21 A D > - 0 0 9 4,-2.7 3,-2.1 -2,-0.6 -1,-0.0 -0.084 30.9 -89.4 -78.8 178.7 35.9 42.8 36.8 22 22 A S T 3 S+ 0 0 55 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.601 128.6 54.5 -65.2 -10.1 37.9 41.4 33.9 23 23 A N T 3 S- 0 0 144 2,-0.2 -1,-0.3 0, 0.0 3,-0.1 0.469 119.4-108.7-100.3 -5.7 38.7 38.4 36.1 24 24 A G S < S+ 0 0 13 -3,-2.1 2,-0.3 1,-0.3 -2,-0.1 0.452 75.3 132.1 94.4 2.5 35.0 37.6 36.7 25 25 A R - 0 0 166 1,-0.0 -4,-2.7 -5,-0.0 2,-0.5 -0.620 60.3-116.6 -88.5 145.4 35.1 38.7 40.4 26 26 A E E +B 20 0A 65 -2,-0.3 2,-0.2 -6,-0.2 -6,-0.2 -0.708 41.9 173.6 -80.9 125.1 32.5 41.0 42.0 27 27 A R E -B 19 0A 109 -8,-3.2 -8,-1.9 -2,-0.5 2,-0.3 -0.759 22.0-149.2-123.5 170.4 34.0 44.3 43.2 28 28 A T E +B 18 0A 76 -2,-0.2 2,-0.4 -10,-0.2 -10,-0.2 -0.975 17.8 178.4-143.3 129.6 32.7 47.5 44.6 29 29 A R E -B 17 0A 70 -12,-2.4 -12,-2.4 -2,-0.3 2,-0.6 -0.984 24.4-140.2-136.3 144.5 34.3 50.9 44.1 30 30 A E E -B 16 0A 121 -2,-0.4 2,-0.5 -14,-0.2 -14,-0.2 -0.906 25.4-171.7-103.3 114.6 33.6 54.5 45.2 31 31 A V E -B 15 0A 46 -16,-2.8 -16,-3.3 -2,-0.6 2,-1.8 -0.923 25.2-144.4-112.7 125.9 34.4 57.0 42.4 32 32 A E - 0 0 130 -2,-0.5 -18,-0.2 -18,-0.2 2,-0.1 -0.634 35.8-151.5 -82.4 81.4 34.4 60.8 42.8 33 33 A Y - 0 0 23 -2,-1.8 32,-0.3 -20,-0.1 59,-0.0 -0.313 11.2-148.9 -65.1 129.2 33.0 61.2 39.3 34 34 A K - 0 0 102 30,-0.1 29,-0.1 -2,-0.1 -1,-0.1 -0.816 24.3-162.4 -98.4 95.0 34.0 64.5 37.5 35 35 A P - 0 0 0 0, 0.0 27,-2.1 0, 0.0 2,-0.4 -0.243 5.7-143.1 -76.0 163.9 31.0 65.1 35.3 36 36 A S E +C 61 0B 29 25,-0.2 49,-0.3 49,-0.1 2,-0.3 -0.994 17.3 177.1-127.5 138.3 30.8 67.4 32.3 37 37 A L E -C 60 0B 2 23,-1.7 23,-3.4 -2,-0.4 2,-0.3 -0.774 19.9-128.6-125.2 177.1 28.0 69.6 31.1 38 38 A F E -CD 59 83B 26 45,-2.6 45,-2.3 -2,-0.3 2,-0.4 -0.929 14.5-167.7-136.0 151.7 27.9 72.1 28.2 39 39 A A E -C 58 0B 15 19,-1.6 19,-2.8 -2,-0.3 43,-0.1 -0.993 36.5-102.8-133.2 142.1 27.0 75.6 27.2 40 40 A H E -C 57 0B 82 41,-0.4 17,-0.3 -2,-0.4 10,-0.0 -0.289 44.5-172.4 -55.2 146.6 26.6 77.2 23.8 41 41 A C - 0 0 22 15,-1.4 -1,-0.0 4,-0.1 0, 0.0 -0.891 30.2 -74.9-138.3 169.0 29.6 79.3 22.8 42 42 A P > - 0 0 75 0, 0.0 3,-0.9 0, 0.0 -1,-0.1 -0.222 40.3-117.4 -62.2 156.9 30.5 81.7 20.0 43 43 A E T 3 S+ 0 0 172 1,-0.2 4,-0.1 13,-0.0 14,-0.1 0.850 113.3 64.5 -60.3 -35.6 31.3 80.3 16.6 44 44 A S T 3 S+ 0 0 115 1,-0.1 2,-1.1 2,-0.1 -1,-0.2 0.766 80.7 88.9 -62.8 -27.6 34.8 81.7 16.9 45 45 A Q S < S- 0 0 94 -3,-0.9 -4,-0.1 1,-0.0 -1,-0.1 -0.632 81.7-136.3 -77.7 101.9 35.6 79.4 19.9 46 46 A A + 0 0 95 -2,-1.1 2,-0.3 10,-0.1 -2,-0.1 -0.236 40.1 145.8 -58.1 142.8 36.9 76.3 18.2 47 47 A T - 0 0 47 -4,-0.1 11,-0.1 11,-0.1 -1,-0.0 -0.978 53.4-132.1-167.1 171.4 35.6 73.0 19.6 48 48 A K S S+ 0 0 98 -2,-0.3 2,-0.5 9,-0.2 10,-0.1 0.400 82.2 89.3-112.2 -3.7 34.6 69.4 18.8 49 49 A Y + 0 0 47 8,-0.5 8,-2.0 327,-0.1 2,-0.3 -0.830 47.3 164.4-101.0 131.9 31.3 69.6 20.6 50 50 A F E -Ef 56 376C 82 325,-1.1 327,-2.2 -2,-0.5 5,-0.1 -0.994 35.6-115.9-140.0 144.7 28.1 70.7 19.0 51 51 A D E > - f 0 377C 11 4,-2.6 3,-2.7 -2,-0.3 327,-0.2 -0.227 49.1 -88.7 -69.5 172.8 24.4 70.3 20.0 52 52 A I T 3 S+ 0 0 14 325,-0.9 -1,-0.1 1,-0.3 326,-0.1 0.661 130.0 55.9 -61.5 -14.1 22.2 68.2 17.7 53 53 A Y T 3 S- 0 0 136 2,-0.1 -1,-0.3 374,-0.0 -2,-0.0 0.364 121.2-104.7-100.0 3.5 21.4 71.3 15.7 54 54 A G S < S+ 0 0 45 -3,-2.7 -2,-0.1 1,-0.3 -5,-0.0 0.375 72.0 142.1 94.2 -4.3 25.1 72.1 14.9 55 55 A K - 0 0 56 1,-0.1 -4,-2.6 -5,-0.1 -1,-0.3 -0.581 54.2-115.3 -73.9 127.2 25.6 75.0 17.4 56 56 A P B -E 50 0C 13 0, 0.0 -15,-1.4 0, 0.0 2,-0.3 -0.177 33.9-169.2 -61.5 153.4 29.0 74.8 19.0 57 57 A C E -C 40 0B 0 -8,-2.0 -8,-0.5 -17,-0.3 2,-0.4 -0.988 18.3-132.0-142.7 151.0 29.4 74.3 22.8 58 58 A T E -C 39 0B 44 -19,-2.8 -19,-1.6 -2,-0.3 2,-0.4 -0.871 27.3-123.5-102.4 137.9 32.1 74.5 25.4 59 59 A R E -C 38 0B 107 -2,-0.4 2,-0.7 -21,-0.2 -21,-0.2 -0.656 17.9-154.5 -83.4 131.2 32.6 71.6 27.8 60 60 A K E -C 37 0B 85 -23,-3.4 -23,-1.7 -2,-0.4 2,-0.5 -0.903 5.0-158.6-107.4 108.9 32.5 72.5 31.5 61 61 A L E -C 36 0B 103 -2,-0.7 2,-0.4 -25,-0.2 -25,-0.2 -0.744 12.4-152.0 -85.8 130.7 34.4 70.0 33.7 62 62 A F - 0 0 17 -27,-2.1 3,-0.1 -2,-0.5 6,-0.0 -0.819 21.0-132.5-107.3 143.4 33.2 70.1 37.3 63 63 A A S S- 0 0 73 -2,-0.4 2,-0.3 1,-0.1 -1,-0.1 0.770 91.0 -12.1 -60.1 -26.4 35.2 69.3 40.4 64 64 A N S > S- 0 0 26 -29,-0.1 4,-1.2 -30,-0.1 -1,-0.1 -0.969 75.7 -93.6-164.4 173.4 32.3 67.2 41.5 65 65 A M H > S+ 0 0 0 -32,-0.3 4,-1.9 -2,-0.3 5,-0.1 0.816 118.6 57.6 -68.6 -30.9 28.6 66.3 40.8 66 66 A R H > S+ 0 0 146 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.906 104.8 50.3 -66.2 -42.1 27.3 68.9 43.4 67 67 A D H > S+ 0 0 69 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.829 109.5 52.9 -64.0 -31.7 29.1 71.7 41.6 68 68 A A H X S+ 0 0 0 -4,-1.2 4,-1.8 2,-0.2 -2,-0.2 0.888 107.6 50.8 -69.8 -39.9 27.6 70.6 38.4 69 69 A S H X S+ 0 0 56 -4,-1.9 4,-1.5 2,-0.2 -2,-0.2 0.933 110.1 49.0 -61.8 -48.1 24.1 70.6 39.9 70 70 A Q H X S+ 0 0 85 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.882 108.0 54.5 -60.1 -40.8 24.5 74.2 41.2 71 71 A W H X S+ 0 0 18 -4,-1.7 4,-2.9 1,-0.2 -1,-0.2 0.896 104.6 54.5 -60.1 -40.6 25.8 75.3 37.8 72 72 A I H X S+ 0 0 35 -4,-1.8 4,-1.1 1,-0.2 -1,-0.2 0.883 110.4 46.9 -59.6 -37.6 22.6 73.9 36.3 73 73 A K H X S+ 0 0 62 -4,-1.5 4,-2.2 2,-0.2 -2,-0.2 0.884 112.3 47.8 -73.5 -40.6 20.6 76.0 38.7 74 74 A R H X S+ 0 0 129 -4,-2.5 4,-2.3 2,-0.2 5,-0.2 0.900 108.5 54.6 -67.1 -40.7 22.6 79.2 38.1 75 75 A M H X>S+ 0 0 16 -4,-2.9 5,-2.6 1,-0.2 4,-1.5 0.832 109.6 49.7 -59.9 -31.4 22.3 78.7 34.4 76 76 A E H <5S+ 0 0 134 -4,-1.1 -2,-0.2 -5,-0.2 -1,-0.2 0.913 109.1 50.0 -70.5 -44.2 18.5 78.5 35.0 77 77 A D H <5S+ 0 0 121 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.799 113.2 47.4 -64.2 -30.1 18.7 81.7 37.1 78 78 A I H <5S- 0 0 120 -4,-2.3 -1,-0.2 2,-0.1 -2,-0.2 0.819 114.3-120.2 -78.7 -33.5 20.6 83.4 34.3 79 79 A G T <5 + 0 0 62 -4,-1.5 2,-0.3 1,-0.3 -3,-0.2 0.719 68.1 123.2 99.3 27.6 18.1 82.1 31.7 80 80 A L < - 0 0 108 -5,-2.6 -1,-0.3 -6,-0.1 2,-0.2 -0.854 64.6 -98.5-119.9 156.7 20.4 80.1 29.5 81 81 A E - 0 0 64 -2,-0.3 2,-0.6 1,-0.0 -41,-0.4 -0.491 23.6-156.3 -75.8 136.2 20.4 76.4 28.4 82 82 A A - 0 0 6 -2,-0.2 -43,-0.2 -43,-0.1 2,-0.1 -0.910 21.3-162.3-112.5 102.6 22.6 73.9 30.3 83 83 A L B +D 38 0B 0 -45,-2.3 -45,-2.6 -2,-0.6 2,-0.1 -0.328 37.0 58.8 -86.8 164.2 23.2 71.0 27.9 84 84 A G S S- 0 0 5 294,-2.2 2,-0.7 -47,-0.2 -47,-0.1 -0.417 92.9 -37.1 112.4 173.4 24.4 67.5 28.6 85 85 A M - 0 0 7 -49,-0.3 -49,-0.1 1,-0.2 6,-0.1 -0.614 46.8-176.4 -75.3 110.8 23.4 64.4 30.6 86 86 A D S S+ 0 0 85 -2,-0.7 2,-1.3 1,-0.1 -1,-0.2 0.716 70.8 77.8 -83.0 -22.5 22.0 65.7 33.9 87 87 A D S >> S- 0 0 24 1,-0.2 4,-1.3 -3,-0.1 3,-1.0 -0.753 70.3-168.4 -84.4 94.5 21.5 62.2 35.3 88 88 A F H 3> S+ 0 0 5 -2,-1.3 4,-2.9 1,-0.3 5,-0.2 0.748 78.0 66.8 -63.2 -27.4 25.2 61.7 36.2 89 89 A K H 3> S+ 0 0 30 1,-0.2 4,-2.5 2,-0.2 -1,-0.3 0.927 103.0 47.7 -56.6 -45.0 24.8 58.0 36.8 90 90 A L H <> S+ 0 0 4 -3,-1.0 4,-2.4 1,-0.2 -1,-0.2 0.902 111.2 50.4 -63.0 -41.4 24.1 57.6 33.1 91 91 A A H X S+ 0 0 9 -4,-1.3 4,-2.5 2,-0.2 -2,-0.2 0.902 110.3 50.6 -62.6 -42.1 27.1 59.7 32.2 92 92 A Y H X S+ 0 0 6 -4,-2.9 4,-3.3 2,-0.2 5,-0.3 0.956 111.3 46.9 -59.9 -53.2 29.3 57.6 34.5 93 93 A L H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.894 112.8 50.6 -54.7 -44.1 28.1 54.3 32.9 94 94 A S H < S+ 0 0 3 -4,-2.4 -1,-0.2 2,-0.2 -2,-0.2 0.905 114.9 42.4 -63.0 -43.8 28.6 55.8 29.5 95 95 A D H >< S+ 0 0 73 -4,-2.5 3,-0.7 1,-0.2 -2,-0.2 0.950 117.0 46.1 -66.4 -50.7 32.1 56.9 30.2 96 96 A T H 3< S+ 0 0 46 -4,-3.3 2,-0.4 1,-0.3 -2,-0.2 0.842 120.1 39.2 -64.5 -35.3 33.1 53.8 32.1 97 97 A Y T 3< + 0 0 1 -4,-2.3 2,-2.4 -5,-0.3 -1,-0.3 -0.520 64.4 166.1-120.2 65.8 31.7 51.4 29.5 98 98 A N < + 0 0 76 -3,-0.7 2,-0.3 -2,-0.4 -4,-0.1 -0.307 58.9 61.0 -77.3 56.4 32.5 52.9 26.1 99 99 A Y S S- 0 0 63 -2,-2.4 2,-0.5 -5,-0.1 -3,-0.0 -0.969 101.2 -70.7-170.3 161.3 31.6 49.7 24.3 100 100 A E - 0 0 178 -2,-0.3 2,-0.5 1,-0.1 248,-0.1 -0.495 58.4-126.0 -63.1 113.2 28.8 47.2 23.6 101 101 A I - 0 0 17 -2,-0.5 2,-0.7 246,-0.5 -1,-0.1 -0.513 24.4-169.6 -71.8 114.7 28.4 45.4 26.9 102 102 A K - 0 0 86 -2,-0.5 2,-0.2 -99,-0.2 -100,-0.1 -0.926 19.6-169.3 -99.0 111.5 28.7 41.7 26.7 103 103 A Y - 0 0 52 -2,-0.7 2,-0.6 241,-0.0 -100,-0.1 -0.654 23.3-137.0-105.8 159.2 27.5 40.4 30.1 104 104 A D > - 0 0 44 -2,-0.2 3,-1.8 1,-0.1 4,-0.4 -0.926 10.3-164.9-115.8 106.8 27.6 37.0 31.8 105 105 A H G > S+ 0 0 121 -2,-0.6 3,-1.6 1,-0.3 -1,-0.1 0.799 85.6 66.3 -63.3 -30.7 24.4 36.3 33.6 106 106 A T G 3 S+ 0 0 82 1,-0.3 -1,-0.3 3,-0.1 -2,-0.0 0.723 99.8 54.3 -63.1 -19.1 25.9 33.5 35.7 107 107 A K G < S+ 0 0 74 -3,-1.8 2,-0.6 2,-0.1 -1,-0.3 0.565 89.9 90.0 -89.7 -11.7 28.0 36.1 37.4 108 108 A I S < S- 0 0 0 -3,-1.6 2,-1.0 -4,-0.4 33,-0.0 -0.783 78.8-131.4 -92.0 121.0 25.0 38.3 38.4 109 109 A R - 0 0 35 -2,-0.6 102,-2.7 100,-0.2 103,-1.8 -0.584 26.4-173.4 -75.5 104.6 23.6 37.4 41.8 110 110 A V E -g 212 0D 16 -2,-1.0 31,-1.8 101,-0.2 2,-0.5 -0.888 4.5-164.5-101.5 117.6 19.8 37.1 41.3 111 111 A A E -gH 213 140D 0 101,-2.8 103,-2.8 -2,-0.6 2,-0.5 -0.889 8.7-170.4-109.1 125.9 17.9 36.6 44.5 112 112 A N E +gH 214 139D 3 27,-2.4 27,-3.9 -2,-0.5 2,-0.3 -0.967 21.5 163.7-110.1 123.0 14.3 35.4 44.7 113 113 A F E - H 0 138D 5 101,-1.8 103,-0.4 -2,-0.5 2,-0.3 -0.953 22.3-178.6-142.8 166.2 12.7 35.6 48.1 114 114 A D E - H 0 137D 30 23,-1.6 23,-2.3 -2,-0.3 2,-0.3 -0.973 14.6-152.3-157.5 141.0 9.4 35.5 50.0 115 115 A I E - H 0 136D 3 -2,-0.3 2,-0.4 21,-0.2 21,-0.2 -0.852 6.3-140.7-121.0 159.0 8.6 35.9 53.7 116 116 A E E - H 0 135D 36 19,-2.7 18,-1.4 -2,-0.3 19,-0.9 -0.941 15.1-176.8-117.8 143.2 5.8 34.7 56.0 117 117 A V E - H 0 133D 19 -2,-0.4 2,-0.4 16,-0.2 16,-0.2 -0.911 16.8-146.9-142.0 109.4 4.2 36.7 58.8 118 118 A T + 0 0 11 14,-0.5 190,-0.1 -2,-0.4 191,-0.0 -0.648 24.3 177.4 -75.7 126.4 1.5 35.3 61.1 119 119 A S - 0 0 10 -2,-0.4 3,-0.4 1,-0.1 -2,-0.1 -0.960 24.8-169.0-137.9 118.2 -0.9 38.0 62.0 120 120 A P S S+ 0 0 72 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.692 86.4 56.2 -75.8 -19.9 -4.0 37.5 64.2 121 121 A D S S- 0 0 83 1,-0.3 697,-0.1 697,-0.0 696,-0.0 -0.489 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104.6 -2.3 33.4 10.4 714 716 A E T 3 S- 0 0 57 -30,-2.6 -29,-0.1 -2,-0.4 3,-0.1 0.789 128.4 -41.3 60.8 30.5 1.0 35.0 9.1 715 717 A G T 3 S+ 0 0 41 -31,-0.3 2,-0.7 1,-0.3 -1,-0.3 0.347 110.2 120.8 101.4 -6.1 2.1 31.8 7.4 716 718 A T E < -U 713 0H 0 -3,-1.3 -3,-2.1 -221,-0.0 2,-0.8 -0.840 49.9-155.1 -93.9 117.6 1.0 29.4 10.2 717 719 A R E -U 712 0H 52 -2,-0.7 -5,-0.2 -5,-0.2 2,-0.1 -0.831 18.4-135.2 -95.0 109.2 -1.6 26.9 9.0 718 720 A Y E - 0 0 33 -7,-1.9 -226,-0.0 -2,-0.8 4,-0.0 -0.365 7.5-145.7 -69.2 137.6 -3.6 25.7 12.0 719 721 A A E S+ 0 0 24 1,-0.2 -1,-0.1 -2,-0.1 -8,-0.0 0.871 97.3 24.9 -65.1 -38.8 -4.3 22.0 12.4 720 722 A E E S- 0 0 121 -9,-0.0 -1,-0.2 -3,-0.0 -222,-0.0 -0.976 105.3 -95.8-123.9 143.3 -7.7 23.1 13.9 721 723 A P E - 0 0 27 0, 0.0 2,-0.4 0, 0.0 -10,-0.2 -0.290 39.3-146.0 -60.7 137.6 -9.3 26.4 13.0 722 724 A K E -U 710 0H 76 -12,-2.4 -12,-2.5 -4,-0.0 2,-0.5 -0.888 9.5-126.5-109.8 136.1 -8.6 29.1 15.6 723 725 A L E -U 709 0H 24 -2,-0.4 2,-0.8 -14,-0.2 -14,-0.2 -0.677 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1,-0.3 4,-0.1 0.642 98.3 66.4 -70.8 -14.9 -11.2 40.2 32.2 734 736 A S T 3 S+ 0 0 48 45,-0.1 46,-1.7 2,-0.1 -1,-0.3 0.671 82.3 92.5 -79.0 -17.7 -14.3 41.7 33.7 735 737 A T S < S- 0 0 13 -3,-1.3 43,-0.1 -6,-0.3 5,-0.1 -0.614 91.0-104.0 -79.9 132.2 -16.4 39.0 32.1 736 738 A P > - 0 0 3 0, 0.0 4,-2.5 0, 0.0 3,-0.2 -0.207 28.8-117.5 -55.3 146.1 -17.1 35.9 34.4 737 739 A K H > S+ 0 0 85 38,-0.4 4,-2.3 41,-0.3 40,-0.2 0.911 112.9 45.6 -51.1 -52.0 -15.0 32.9 33.5 738 740 A A H > S+ 0 0 13 38,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.834 112.1 52.0 -65.9 -33.3 -17.9 30.6 32.7 739 741 A V H > S+ 0 0 5 37,-0.6 4,-3.6 2,-0.2 5,-0.3 0.906 107.5 52.0 -69.8 -42.5 -19.6 33.3 30.6 740 742 A Q H X S+ 0 0 33 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.963 113.0 45.8 -52.4 -54.0 -16.4 33.9 28.6 741 743 A K H X S+ 0 0 155 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.887 116.9 43.8 -57.5 -44.3 -16.3 30.1 27.9 742 744 A A H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.910 113.5 49.6 -70.6 -45.0 -20.0 30.0 27.1 743 745 A L H X S+ 0 0 0 -4,-3.6 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147.9 -10.7 47.2 39.6 783 785 A A + 0 0 0 43,-2.4 42,-2.8 40,-0.2 3,-0.4 -0.764 31.9 169.4-117.0 86.0 -11.8 49.0 42.7 784 786 A N + 0 0 84 -2,-0.6 19,-0.1 1,-0.2 40,-0.0 -0.719 59.4 6.1 -99.1 145.5 -10.6 52.6 42.6 785 787 A N > + 0 0 87 -2,-0.3 4,-0.8 3,-0.1 -1,-0.2 0.887 69.1 161.4 56.7 46.1 -11.6 55.5 44.9 786 788 A I T >4 S+ 0 0 17 -3,-0.4 3,-1.3 1,-0.2 4,-0.3 0.959 74.7 48.2 -59.6 -53.1 -13.7 53.3 47.3 787 789 A A G >4 S+ 0 0 80 1,-0.3 3,-1.3 2,-0.2 -1,-0.2 0.793 99.5 70.4 -59.5 -28.4 -13.6 55.9 50.1 788 790 A K G 34 S+ 0 0 143 1,-0.3 -1,-0.3 3,-0.0 -2,-0.2 0.853 108.6 33.5 -57.8 -35.7 -14.6 58.6 47.5 789 791 A Y G << S+ 0 0 41 -3,-1.3 7,-2.7 -4,-0.8 2,-0.8 0.248 92.3 114.0-105.2 11.0 -18.1 57.0 47.3 790 792 A D E < +Z 795 0K 62 -3,-1.3 2,-0.6 -4,-0.3 -3,-0.0 -0.753 35.3 172.7 -90.3 108.5 -18.3 55.9 51.0 791 793 A V E > S-Z 794 0K 88 3,-3.1 3,-1.3 -2,-0.8 -3,-0.0 -0.868 79.0 -36.4-116.1 95.8 -21.0 57.8 52.9 792 794 A G T 3 S- 0 0 73 -2,-0.6 -1,-0.1 1,-0.3 -2,-0.0 0.854 121.1 -49.9 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