==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-OCT-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/DNA 04-JUL-11 3SQ1 . COMPND 2 MOLECULE: DNA POLYMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE RB69; . AUTHOR S.XIA,W.H.KONIGSBERG,J.WANG . 901 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 41347.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 625 69.4 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 . 1 0.1 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 . 7 0.8 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 . 64 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 79 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 308 34.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 2.0 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 2 2 0 2 2 3 1 1 2 1 5 1 1 0 0 0 0 0 0 0 0 0 0 1 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 2 3 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 0 1 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 0 119 0, 0.0 2,-0.2 0, 0.0 23,-0.1 0.000 360.0 360.0 360.0 134.3 37.0 -17.8 -36.2 2 2 A K - 0 0 112 1,-0.1 2,-0.1 21,-0.1 18,-0.0 -0.534 360.0-117.8 -70.2 133.4 35.3 -14.4 -36.7 3 3 A E - 0 0 66 -2,-0.2 2,-0.3 100,-0.1 99,-0.2 -0.374 33.9-176.6 -69.5 149.3 34.4 -12.6 -33.5 4 4 A F E -A 20 0A 1 16,-1.5 16,-3.0 97,-0.1 2,-0.1 -0.993 23.9-114.0-148.0 146.5 30.7 -11.9 -32.7 5 5 A Y E -A 19 0A 0 -2,-0.3 14,-0.3 14,-0.2 3,-0.1 -0.334 17.4-173.1 -73.1 156.3 28.9 -10.1 -29.9 6 6 A L E S- 0 0 0 12,-3.3 349,-0.4 1,-0.5 2,-0.3 0.694 72.7 -7.6-108.1 -56.1 26.5 -11.8 -27.5 7 7 A T E -A 18 0A 2 11,-1.5 11,-2.1 347,-0.1 -1,-0.5 -0.966 58.9-164.5-139.2 155.5 25.1 -8.8 -25.6 8 8 A V E +A 17 0A 1 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.997 11.5 172.0-140.6 141.0 25.8 -5.1 -25.5 9 9 A E E -A 16 0A 12 7,-1.8 7,-2.5 -2,-0.3 2,-0.5 -0.988 27.5-133.8-142.2 153.1 24.7 -2.5 -22.9 10 10 A Q E +A 15 0A 55 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.955 22.8 177.1-102.9 125.2 25.4 1.2 -22.1 11 11 A I E > -A 14 0A 37 3,-2.9 3,-1.8 -2,-0.5 2,-0.2 -0.903 63.7 -60.8-127.1 101.1 26.1 1.9 -18.4 12 12 A G T 3 S- 0 0 53 -2,-0.4 53,-0.0 1,-0.3 -1,-0.0 -0.445 120.9 -12.7 58.5-123.2 26.9 5.5 -18.0 13 13 A D T 3 S+ 0 0 49 -2,-0.2 2,-0.4 52,-0.1 -1,-0.3 0.265 123.6 85.5 -92.2 12.3 30.0 6.3 -20.0 14 14 A S E < -A 11 0A 13 -3,-1.8 -3,-2.9 18,-0.2 2,-0.5 -0.885 64.1-145.6-118.1 143.3 30.8 2.6 -20.6 15 15 A I E -AB 10 31A 0 16,-2.7 16,-2.9 -2,-0.4 2,-0.6 -0.937 17.3-157.6 -96.1 126.1 29.8 -0.0 -23.1 16 16 A F E -AB 9 30A 38 -7,-2.5 -7,-1.8 -2,-0.5 2,-0.4 -0.950 17.2-177.4-104.4 119.9 29.6 -3.4 -21.5 17 17 A E E -AB 8 29A 0 12,-2.5 12,-2.3 -2,-0.6 2,-0.4 -0.972 21.3-164.0-125.2 129.4 29.9 -6.2 -24.1 18 18 A R E +AB 7 28A 2 -11,-2.1 -12,-3.3 -2,-0.4 -11,-1.5 -0.912 33.4 156.5-102.0 138.4 29.8 -9.9 -23.8 19 19 A Y E -AB 5 27A 34 8,-2.2 8,-2.9 -2,-0.4 2,-0.6 -0.962 46.8-108.4-156.5 166.4 31.2 -11.6 -26.9 20 20 A I E -AB 4 26A 2 -16,-3.0 -16,-1.5 -2,-0.3 6,-0.2 -0.936 40.2-143.9-104.3 120.7 32.8 -14.7 -28.5 21 21 A D > - 0 0 19 4,-2.8 3,-2.1 -2,-0.6 -17,-0.1 -0.111 33.8 -86.6 -79.1-179.3 36.5 -14.1 -29.3 22 22 A S T 3 S+ 0 0 52 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.613 128.3 54.3 -67.1 -11.7 38.5 -15.4 -32.2 23 23 A N T 3 S- 0 0 115 2,-0.1 -1,-0.3 0, 0.0 -21,-0.1 0.304 121.0-105.2-102.4 6.1 39.2 -18.6 -30.3 24 24 A G S < S+ 0 0 8 -3,-2.1 2,-0.3 1,-0.3 -2,-0.1 0.596 75.9 136.3 82.4 13.1 35.5 -19.3 -29.7 25 25 A R - 0 0 137 1,-0.0 -4,-2.8 0, 0.0 2,-0.4 -0.700 57.7-116.8 -94.4 144.3 35.7 -18.3 -26.0 26 26 A E E +B 20 0A 62 -2,-0.3 2,-0.3 -6,-0.2 -6,-0.2 -0.663 42.9 171.4 -77.7 129.5 33.1 -16.2 -24.1 27 27 A R E -B 19 0A 101 -8,-2.9 -8,-2.2 -2,-0.4 2,-0.4 -0.857 22.6-148.2-132.2 164.8 34.6 -13.0 -22.9 28 28 A T E +B 18 0A 79 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.995 18.2 176.1-135.7 142.8 33.4 -9.7 -21.3 29 29 A R E -B 17 0A 80 -12,-2.3 -12,-2.5 -2,-0.4 2,-0.5 -0.990 25.7-141.8-144.1 153.9 34.8 -6.2 -21.6 30 30 A E E -B 16 0A 119 -2,-0.3 2,-0.4 -14,-0.2 -14,-0.2 -0.981 25.3-168.7-113.8 121.6 34.1 -2.7 -20.5 31 31 A V E -B 15 0A 46 -16,-2.9 -16,-2.7 -2,-0.5 2,-2.0 -0.946 25.3-140.9-118.2 129.8 34.9 -0.1 -23.2 32 32 A E - 0 0 170 -2,-0.4 2,-0.2 -18,-0.2 -18,-0.2 -0.545 36.7-164.6 -83.2 71.3 35.1 3.7 -22.8 33 33 A Y - 0 0 27 -2,-2.0 32,-0.3 -20,-0.1 59,-0.1 -0.408 13.1-151.5 -69.2 126.4 33.5 4.2 -26.2 34 34 A K - 0 0 111 -2,-0.2 29,-0.1 30,-0.1 2,-0.1 -0.879 19.2-152.5 -98.7 108.3 33.7 7.7 -27.6 35 35 A P - 0 0 0 0, 0.0 27,-2.5 0, 0.0 2,-0.4 -0.390 1.1-142.9 -80.0 158.7 30.7 8.3 -29.8 36 36 A S E +C 61 0B 28 25,-0.2 2,-0.2 49,-0.1 49,-0.2 -0.952 18.1 176.7-115.5 143.5 30.5 10.6 -32.8 37 37 A L E -C 60 0B 2 23,-2.1 23,-3.5 -2,-0.4 2,-0.3 -0.780 19.4-127.7-129.8-180.0 27.5 12.8 -33.8 38 38 A F E -CD 59 83B 25 45,-2.5 45,-2.3 -2,-0.2 2,-0.3 -0.949 15.5-170.1-137.9 148.3 27.2 15.3 -36.7 39 39 A A E -C 58 0B 13 19,-1.8 19,-3.0 -2,-0.3 43,-0.1 -0.978 38.7 -99.9-130.2 148.9 26.1 18.8 -37.5 40 40 A H E -C 57 0B 82 41,-0.4 17,-0.3 -2,-0.3 10,-0.0 -0.340 45.2-169.4 -58.6 145.1 25.6 20.5 -40.9 41 41 A C - 0 0 24 15,-1.8 6,-0.0 4,-0.1 -1,-0.0 -0.883 30.5 -73.8-134.0 167.2 28.6 22.6 -42.0 42 42 A P > - 0 0 74 0, 0.0 3,-1.4 0, 0.0 -1,-0.0 -0.315 36.9-123.6 -61.5 146.1 29.4 25.1 -44.7 43 43 A E T 3 S+ 0 0 130 1,-0.3 4,-0.1 3,-0.0 14,-0.1 0.676 111.5 68.4 -61.1 -17.8 29.9 23.8 -48.3 44 44 A S T 3 S+ 0 0 108 2,-0.1 2,-0.4 0, 0.0 -1,-0.3 0.820 82.2 85.6 -69.0 -34.3 33.2 25.5 -48.0 45 45 A Q S < S- 0 0 111 -3,-1.4 2,-0.5 1,-0.1 -4,-0.1 -0.577 83.4-126.5 -77.2 127.0 34.5 23.1 -45.4 46 46 A A + 0 0 105 -2,-0.4 2,-0.3 10,-0.0 -2,-0.1 -0.613 43.0 157.1 -76.3 120.3 36.0 19.9 -46.8 47 47 A T - 0 0 43 -2,-0.5 11,-0.1 -4,-0.1 3,-0.0 -0.941 46.8-147.9-137.7 163.1 34.4 16.7 -45.4 48 48 A K S S+ 0 0 124 -2,-0.3 2,-0.5 9,-0.1 10,-0.1 0.473 80.3 88.2 -99.4 -9.9 33.9 13.1 -46.3 49 49 A Y + 0 0 40 8,-0.5 8,-2.5 329,-0.1 2,-0.3 -0.796 50.6 170.0-100.7 129.0 30.5 13.0 -44.4 50 50 A F E -Ef 56 378C 75 327,-1.4 329,-2.1 -2,-0.5 -10,-0.0 -0.976 30.8-119.9-133.1 146.0 27.2 13.9 -46.1 51 51 A D E > - f 0 379C 9 4,-3.0 3,-1.8 -2,-0.3 329,-0.2 -0.173 45.7 -90.7 -74.0 178.4 23.6 13.6 -44.9 52 52 A I T 3 S+ 0 0 12 327,-0.8 -1,-0.1 1,-0.3 328,-0.1 0.708 129.2 53.8 -68.6 -16.6 21.1 11.5 -47.0 53 53 A Y T 3 S- 0 0 141 2,-0.1 -1,-0.3 376,-0.0 -2,-0.0 0.376 123.1-103.3 -94.6 -0.1 20.2 14.6 -49.0 54 54 A G S < S+ 0 0 42 -3,-1.8 -2,-0.1 1,-0.3 -5,-0.0 0.561 73.1 143.1 88.8 10.2 23.8 15.4 -49.9 55 55 A K - 0 0 114 1,-0.1 -4,-3.0 -15,-0.0 -1,-0.3 -0.697 54.4-111.8 -83.0 132.6 24.4 18.2 -47.5 56 56 A P B -E 50 0C 5 0, 0.0 -15,-1.8 0, 0.0 2,-0.3 -0.318 34.7-166.5 -68.8 148.0 27.9 18.3 -45.9 57 57 A C E -C 40 0B 0 -8,-2.5 -8,-0.5 -17,-0.3 2,-0.4 -0.965 16.4-136.3-132.8 146.3 28.4 17.5 -42.2 58 58 A T E -C 39 0B 56 -19,-3.0 -19,-1.8 -2,-0.3 2,-0.4 -0.865 25.9-125.9 -99.9 138.7 31.2 17.9 -39.7 59 59 A R E -C 38 0B 114 -2,-0.4 2,-0.6 -21,-0.2 -21,-0.2 -0.693 17.6-156.8 -83.3 132.9 31.9 15.0 -37.3 60 60 A K E -C 37 0B 82 -23,-3.5 -23,-2.1 -2,-0.4 2,-0.5 -0.955 4.0-157.8-111.3 117.9 31.9 15.8 -33.6 61 61 A L E -C 36 0B 90 -2,-0.6 2,-0.3 -25,-0.2 -25,-0.2 -0.850 12.8-149.4 -97.6 123.9 33.9 13.3 -31.5 62 62 A F - 0 0 22 -27,-2.5 3,-0.1 -2,-0.5 4,-0.0 -0.719 19.6-133.1 -99.9 143.8 32.8 13.3 -27.8 63 63 A A S S- 0 0 67 -2,-0.3 2,-0.3 1,-0.1 -1,-0.1 0.772 90.7 -9.8 -59.6 -28.6 35.0 12.6 -24.7 64 64 A N S > S- 0 0 24 -29,-0.1 4,-1.5 1,-0.1 -1,-0.1 -0.971 74.5 -96.2-162.2 172.8 32.2 10.3 -23.5 65 65 A M H > S+ 0 0 0 -32,-0.3 4,-2.2 -2,-0.3 5,-0.2 0.842 117.9 55.1 -68.8 -35.2 28.6 9.2 -24.1 66 66 A R H > S+ 0 0 140 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.907 106.2 53.0 -64.3 -39.6 27.0 11.6 -21.6 67 67 A D H > S+ 0 0 55 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.900 109.3 49.4 -59.9 -41.7 28.7 14.6 -23.3 68 68 A A H X S+ 0 0 0 -4,-1.5 4,-2.0 2,-0.2 -2,-0.2 0.912 111.6 48.2 -63.2 -44.6 27.2 13.4 -26.6 69 69 A S H X S+ 0 0 49 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.902 111.2 50.3 -63.5 -42.2 23.7 13.1 -25.0 70 70 A Q H X S+ 0 0 96 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.858 107.3 55.4 -62.2 -37.5 24.0 16.6 -23.4 71 71 A W H X S+ 0 0 25 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.915 103.9 53.4 -62.5 -44.1 25.1 18.0 -26.8 72 72 A I H X S+ 0 0 32 -4,-2.0 4,-1.6 1,-0.2 -1,-0.2 0.919 109.4 50.2 -53.9 -45.8 21.9 16.6 -28.4 73 73 A K H X S+ 0 0 105 -4,-1.7 4,-1.8 1,-0.2 -2,-0.2 0.910 110.6 47.6 -60.2 -46.9 19.9 18.4 -25.7 74 74 A R H X S+ 0 0 129 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.846 107.4 56.7 -66.2 -34.6 21.7 21.7 -26.3 75 75 A M H X>S+ 0 0 16 -4,-2.5 5,-3.0 2,-0.2 4,-2.2 0.848 107.8 48.3 -64.2 -34.5 21.1 21.4 -30.0 76 76 A E H <5S+ 0 0 139 -4,-1.6 -2,-0.2 3,-0.2 -1,-0.2 0.864 109.0 53.9 -69.0 -37.8 17.4 21.2 -29.3 77 77 A D H <5S+ 0 0 127 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.832 114.6 40.4 -63.1 -35.7 17.7 24.2 -27.1 78 78 A I H <5S- 0 0 120 -4,-1.9 -2,-0.2 2,-0.1 -1,-0.2 0.829 115.5-117.3 -80.6 -36.4 19.4 26.1 -30.0 79 79 A G T <5 + 0 0 63 -4,-2.2 2,-0.3 1,-0.3 -3,-0.2 0.776 67.5 129.1 101.1 38.7 16.9 24.7 -32.5 80 80 A L < - 0 0 102 -5,-3.0 -1,-0.3 -6,-0.1 2,-0.2 -0.949 62.6-101.2-127.5 145.2 19.4 22.8 -34.8 81 81 A E - 0 0 54 -2,-0.3 2,-0.7 1,-0.1 -41,-0.4 -0.421 24.5-155.4 -66.2 127.6 19.4 19.2 -36.1 82 82 A A - 0 0 6 -2,-0.2 -43,-0.2 -43,-0.1 2,-0.1 -0.921 22.5-159.9-102.9 104.9 21.8 16.9 -34.2 83 83 A L B +D 38 0B 1 -45,-2.3 -45,-2.5 -2,-0.7 2,-0.1 -0.441 37.8 52.6 -90.3 158.2 22.5 14.1 -36.8 84 84 A G S S- 0 0 5 296,-2.1 2,-0.8 -47,-0.2 -47,-0.1 -0.402 93.5 -37.1 111.7 172.2 23.8 10.6 -36.3 85 85 A M - 0 0 5 -49,-0.2 -49,-0.1 1,-0.2 6,-0.1 -0.615 46.5-176.0 -76.2 108.7 23.1 7.4 -34.4 86 86 A D + 0 0 81 -2,-0.8 2,-1.1 1,-0.1 -1,-0.2 0.577 69.0 81.2 -85.3 -14.0 21.9 8.5 -30.9 87 87 A D S >> S- 0 0 26 1,-0.2 4,-1.2 2,-0.0 3,-1.2 -0.813 71.1-166.4 -88.9 94.6 21.6 5.0 -29.7 88 88 A F H 3> S+ 0 0 2 -2,-1.1 4,-2.8 1,-0.3 -1,-0.2 0.769 78.3 61.0 -63.8 -30.6 25.3 4.7 -28.9 89 89 A K H 3> S+ 0 0 35 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.848 103.5 52.2 -65.6 -30.7 25.4 0.9 -28.4 90 90 A L H <> S+ 0 0 2 -3,-1.2 4,-2.0 2,-0.2 -1,-0.2 0.870 110.2 48.3 -68.0 -37.3 24.3 0.5 -32.0 91 91 A A H X S+ 0 0 10 -4,-1.2 4,-2.2 2,-0.2 -2,-0.2 0.914 110.1 52.6 -67.3 -42.3 27.1 2.8 -33.1 92 92 A Y H X S+ 0 0 8 -4,-2.8 4,-2.5 1,-0.2 5,-0.2 0.932 110.3 47.1 -55.4 -48.8 29.5 0.7 -31.0 93 93 A L H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.886 110.2 53.4 -62.1 -39.8 28.4 -2.5 -32.7 94 94 A S H < S+ 0 0 0 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.887 114.3 41.3 -61.7 -41.8 28.7 -0.9 -36.1 95 95 A D H < S+ 0 0 87 -4,-2.2 3,-0.5 1,-0.1 -2,-0.2 0.847 119.2 44.2 -70.6 -38.9 32.3 0.1 -35.4 96 96 A T H < S+ 0 0 46 -4,-2.5 2,-0.2 1,-0.2 -2,-0.2 0.795 122.2 35.6 -83.4 -30.2 33.3 -3.1 -33.6 97 97 A Y < + 0 0 2 -4,-2.5 2,-1.9 -5,-0.2 -1,-0.2 -0.552 68.0 164.0-123.6 64.3 31.7 -5.5 -36.2 98 98 A N + 0 0 93 -3,-0.5 2,-0.3 -2,-0.2 -4,-0.1 -0.376 57.1 60.2 -83.7 59.3 32.2 -3.8 -39.5 99 99 A Y S S- 0 0 59 -2,-1.9 2,-0.5 -5,-0.0 -3,-0.0 -0.947 103.9 -68.1-167.8 165.8 31.4 -6.9 -41.6 100 100 A E - 0 0 167 -2,-0.3 2,-0.3 1,-0.1 250,-0.1 -0.562 61.3-122.6 -66.4 117.8 28.6 -9.3 -42.2 101 101 A I - 0 0 21 -2,-0.5 2,-0.6 248,-0.4 -97,-0.1 -0.475 24.0-166.5 -71.8 123.8 28.4 -11.2 -38.9 102 102 A K - 0 0 156 -2,-0.3 2,-0.3 -99,-0.2 -100,-0.1 -0.960 17.0-169.4-105.0 113.3 28.8 -15.0 -39.0 103 103 A Y - 0 0 36 -2,-0.6 2,-0.6 -99,-0.0 -100,-0.1 -0.719 20.3-142.7-104.8 156.3 27.6 -16.4 -35.7 104 104 A D > - 0 0 45 -2,-0.3 3,-1.7 1,-0.1 4,-0.3 -0.950 7.6-161.8-118.9 106.5 28.0 -19.9 -34.3 105 105 A H G > S+ 0 0 118 -2,-0.6 3,-1.2 1,-0.3 -1,-0.1 0.748 85.0 69.2 -63.4 -25.6 24.9 -20.8 -32.3 106 106 A T G 3 S+ 0 0 82 1,-0.3 -1,-0.3 3,-0.1 0, 0.0 0.695 99.1 50.9 -66.8 -19.5 26.6 -23.6 -30.4 107 107 A K G < S+ 0 0 67 -3,-1.7 2,-0.6 2,-0.1 -1,-0.3 0.505 91.1 93.3 -92.7 -8.8 28.7 -21.0 -28.6 108 108 A I S < S- 0 0 0 -3,-1.2 2,-0.9 -4,-0.3 33,-0.0 -0.783 76.2-134.0 -92.2 120.9 25.6 -19.0 -27.5 109 109 A R - 0 0 36 -2,-0.6 102,-2.8 100,-0.2 103,-1.9 -0.629 25.4-174.7 -77.4 105.3 24.3 -19.9 -24.1 110 110 A V E -g 212 0D 26 -2,-0.9 31,-2.0 101,-0.2 2,-0.4 -0.909 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-564,-0.1 -1,-0.2 0.549 106.7 95.4 72.3 9.0 -7.9 -22.8 -21.7 852 852 A T S < S- 0 0 54 -3,-0.9 2,-0.3 -4,-0.1 -1,-0.2 -0.925 78.5-113.3-130.9 153.2 -9.3 -23.9 -18.4 853 853 A E - 0 0 101 -2,-0.3 3,-0.1 -3,-0.1 2,-0.1 -0.645 48.2-104.3 -72.7 138.0 -12.2 -26.0 -16.9 854 854 A I - 0 0 2 -2,-0.3 5,-0.1 1,-0.1 -1,-0.1 -0.417 52.0 -83.9 -65.0 142.3 -14.6 -23.8 -15.0 855 855 A T >> - 0 0 24 1,-0.1 3,-1.7 -33,-0.1 4,-1.6 -0.170 35.6-120.7 -55.3 140.0 -14.2 -24.2 -11.2 856 856 A D H 3> S+ 0 0 129 1,-0.3 4,-0.7 2,-0.2 -1,-0.1 0.731 105.3 68.6 -55.6 -31.7 -16.0 -27.2 -9.6 857 857 A L H 34 S+ 0 0 81 1,-0.2 -1,-0.3 2,-0.1 4,-0.1 0.795 119.3 18.6 -58.9 -32.5 -18.1 -25.0 -7.3 858 858 A I H <> S+ 0 0 10 -3,-1.7 4,-2.7 2,-0.1 -2,-0.2 0.498 100.1 93.7-117.5 -8.6 -20.1 -23.6 -10.2 859 859 A K H X S+ 0 0 45 -4,-1.6 4,-2.7 1,-0.2 5,-0.2 0.902 86.9 49.3 -51.7 -50.3 -19.4 -26.1 -13.0 860 860 A D H X S+ 0 0 121 -4,-0.7 4,-2.2 1,-0.2 -1,-0.2 0.903 113.3 47.0 -59.3 -42.7 -22.5 -28.3 -12.3 861 861 A D H > S+ 0 0 73 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.883 111.2 50.7 -67.8 -40.7 -24.8 -25.2 -12.2 862 862 A V H X S+ 0 0 0 -4,-2.7 4,-1.5 2,-0.2 -2,-0.2 0.956 112.5 47.5 -59.6 -49.5 -23.3 -23.8 -15.5 863 863 A L H < S+ 0 0 62 -4,-2.7 -2,-0.2 1,-0.2 3,-0.2 0.884 112.5 49.3 -58.4 -41.9 -23.8 -27.2 -17.2 864 864 A H H < S+ 0 0 120 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.849 120.1 36.0 -65.7 -34.7 -27.4 -27.4 -15.9 865 865 A W H < S+ 0 0 55 -4,-1.9 -29,-3.0 -3,-0.2 -2,-0.2 0.439 79.6 132.8-106.1 -3.0 -28.3 -23.8 -17.1 866 866 A M B < -A 835 0K 2 -4,-1.5 2,-1.3 -31,-0.2 -31,-0.3 -0.245 57.8-129.8 -48.4 129.0 -26.3 -23.5 -20.3 867 867 A D > + 0 0 26 -33,-2.6 4,-2.3 1,-0.2 5,-0.1 -0.674 32.4 173.4 -91.0 88.7 -28.5 -22.1 -23.0 868 868 A Y H > S+ 0 0 54 -2,-1.3 4,-2.4 1,-0.2 5,-0.2 0.823 76.2 56.7 -62.1 -35.9 -28.0 -24.6 -25.9 869 869 A T H > S+ 0 0 96 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.946 111.3 41.5 -63.7 -48.3 -30.8 -22.9 -28.1 870 870 A V H > S+ 0 0 49 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.922 113.6 54.8 -64.5 -46.2 -29.1 -19.5 -28.0 871 871 A L H X S+ 0 0 6 -4,-2.3 4,-2.2 1,-0.2 5,-0.4 0.922 111.2 43.5 -50.8 -51.2 -25.7 -21.0 -28.4 872 872 A L H X>S+ 0 0 10 -4,-2.4 5,-2.5 2,-0.2 4,-1.8 0.929 114.2 49.1 -64.0 -48.3 -26.7 -22.8 -31.6 873 873 A E H <>S+ 0 0 79 -4,-2.3 5,-2.6 3,-0.2 -2,-0.2 0.933 118.3 39.6 -55.9 -48.7 -28.6 -19.9 -33.1 874 874 A K H <5S+ 0 0 103 -4,-2.8 -2,-0.2 -5,-0.2 -1,-0.2 0.899 126.2 28.9 -73.7 -44.6 -25.8 -17.4 -32.5 875 875 A T H <5S+ 0 0 18 -4,-2.2 -3,-0.2 -5,-0.3 -2,-0.2 0.740 135.5 16.1 -92.9 -24.7 -22.6 -19.4 -33.3 876 876 A F T X5S+ 0 0 0 -4,-1.8 4,-2.3 -5,-0.4 -3,-0.2 0.805 122.4 43.2-116.8 -59.1 -23.9 -21.9 -35.9 877 877 A I H > S+ 0 0 10 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.914 115.5 51.1 -64.2 -40.7 -23.3 -17.9 -39.8 880 880 A L H X S+ 0 0 0 -4,-2.3 4,-2.9 1,-0.2 5,-0.2 0.907 107.3 53.6 -61.4 -43.5 -24.7 -20.9 -41.8 881 881 A E H X S+ 0 0 88 -4,-3.1 4,-2.2 1,-0.2 5,-0.2 0.881 108.6 51.4 -54.7 -41.7 -27.7 -18.8 -42.9 882 882 A G H X S+ 0 0 27 -4,-1.7 4,-1.7 -5,-0.2 -2,-0.2 0.922 112.0 44.9 -59.5 -48.1 -25.1 -16.3 -44.1 883 883 A F H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.925 116.2 45.3 -62.7 -48.9 -23.2 -18.9 -46.2 884 884 A T H X>S+ 0 0 2 -4,-2.9 5,-2.7 2,-0.2 4,-0.7 0.857 111.3 50.4 -69.3 -39.4 -26.3 -20.5 -47.7 885 885 A S H <5S+ 0 0 65 -4,-2.2 3,-0.5 -5,-0.2 -1,-0.2 0.896 112.8 48.3 -65.4 -39.6 -28.1 -17.3 -48.6 886 886 A A H <5S+ 0 0 9 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.930 114.9 44.8 -62.9 -44.1 -24.9 -16.0 -50.4 887 887 A A H <5S- 0 0 0 -4,-2.2 -1,-0.2 -485,-0.2 -484,-0.2 0.492 112.6-121.7 -80.5 -5.0 -24.5 -19.4 -52.2 888 888 A K T <5S+ 0 0 134 -4,-0.7 2,-0.3 -3,-0.5 -3,-0.2 0.915 71.3 112.7 62.1 48.1 -28.3 -19.5 -53.1 889 889 A L < - 0 0 7 -5,-2.7 2,-0.4 -6,-0.1 -1,-0.2 -0.920 62.2-116.4-142.1 169.0 -29.1 -22.8 -51.4 890 890 A D - 0 0 70 -2,-0.3 -129,-0.2 1,-0.1 4,-0.1 -0.909 3.7-159.7-111.0 134.2 -31.1 -24.1 -48.4 891 891 A Y S S+ 0 0 36 -2,-0.4 2,-0.4 1,-0.1 -126,-0.2 0.571 88.2 51.4 -83.6 -10.0 -29.7 -25.8 -45.3 892 892 A E S S- 0 0 106 -128,-0.1 2,-0.2 -127,-0.0 -1,-0.1 -0.993 99.7-103.9-126.9 137.0 -33.2 -27.3 -44.7 893 893 A K - 0 0 148 -2,-0.4 2,-0.1 -132,-0.1 3,-0.1 -0.369 34.9-132.7 -64.7 124.8 -35.2 -29.1 -47.4 894 894 A K - 0 0 130 -2,-0.2 -1,-0.1 1,-0.1 2,-0.1 -0.419 29.9 -95.0 -73.5 149.7 -38.0 -27.0 -48.9 895 895 A A - 0 0 88 -2,-0.1 2,-0.3 2,-0.0 -1,-0.1 -0.371 48.3-173.9 -62.9 142.6 -41.5 -28.5 -49.2 896 896 A S > - 0 0 51 -3,-0.1 3,-1.0 -2,-0.1 4,-0.2 -0.864 40.3-105.5-134.0 170.7 -42.3 -30.0 -52.6 897 897 A L G > S+ 0 0 148 -2,-0.3 3,-0.9 1,-0.2 -2,-0.0 0.713 112.7 69.2 -68.9 -21.1 -45.3 -31.6 -54.5 898 898 A F G > S+ 0 0 167 1,-0.2 3,-1.3 2,-0.1 -1,-0.2 0.739 77.3 81.9 -68.5 -24.4 -43.8 -35.1 -54.0 899 899 A D G < S+ 0 0 106 -3,-1.0 -1,-0.2 1,-0.3 -2,-0.1 0.748 80.6 65.2 -53.4 -29.4 -44.5 -34.9 -50.2 900 900 A M G < 0 0 161 -3,-0.9 -1,-0.3 -4,-0.2 -2,-0.1 0.019 360.0 360.0 -89.3 29.8 -48.1 -36.0 -50.8 901 901 A F < 0 0 218 -3,-1.3 -1,-0.2 0, 0.0 -2,-0.2 0.581 360.0 360.0-119.6 360.0 -47.2 -39.4 -52.1