==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER DNA REPLICATION 26-JUN-08 2VWK . COMPND 2 MOLECULE: DNA POLYMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOCOCCUS GORGONARIUS; . AUTHOR S.J.FIRBANK,J.WARDLE,P.HESLOP,R.J.LEWIS,B.A.CONNOLLY . 773 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35501.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 543 70.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 15 1.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 120 15.5 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 1.0 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 . 62 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 72 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 247 32.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 1.9 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 1 1 1 3 3 2 0 1 0 0 3 2 0 1 0 0 0 1 0 1 0 0 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 . 4 0 3 5 4 1 1 1 2 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 . 2 2 1 1 1 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 30 0, 0.0 20,-2.5 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 151.3 23.3 5.2 33.6 2 2 A I E +A 20 0A 16 125,-0.5 127,-1.8 18,-0.2 18,-0.2 -0.665 360.0 177.9 -81.5 120.2 19.9 4.0 34.6 3 3 A L E - 0 0 3 16,-2.8 338,-0.6 -2,-0.5 339,-0.3 0.856 60.4 -35.2 -86.3 -41.8 18.4 1.6 32.1 4 4 A D E -A 19 0A 21 15,-1.1 15,-2.1 336,-0.1 -1,-0.3 -0.970 49.0-137.4-170.2 167.1 15.1 0.7 33.8 5 5 A T E +A 18 0A 10 -2,-0.3 2,-0.3 13,-0.2 13,-0.2 -0.991 24.7 151.5-140.1 151.4 13.3 0.1 37.1 6 6 A D E -A 17 0A 17 11,-1.8 11,-2.5 -2,-0.3 2,-0.3 -0.836 31.6-117.1-149.3-170.0 10.8 -2.4 38.4 7 7 A Y E -A 16 0A 59 9,-0.3 2,-0.3 -2,-0.3 9,-0.2 -0.986 12.2-161.0-136.4 154.6 9.8 -3.9 41.7 8 8 A I E -A 15 0A 52 7,-2.6 7,-3.2 -2,-0.3 2,-0.4 -0.815 19.5-131.1-117.7 168.1 9.8 -7.3 43.3 9 9 A T E -A 14 0A 65 -2,-0.3 2,-0.5 5,-0.2 80,-0.0 -0.993 19.3-175.6-126.3 127.6 7.8 -8.4 46.3 10 10 A E E > S-A 13 0A 95 3,-2.7 3,-1.3 -2,-0.4 -2,-0.0 -0.965 77.1 -20.1-130.2 108.9 9.4 -10.3 49.2 11 11 A D T 3 S- 0 0 157 -2,-0.5 -1,-0.1 1,-0.2 0, 0.0 0.903 127.7 -52.7 54.7 45.1 7.2 -11.4 52.0 12 12 A G T 3 S+ 0 0 39 1,-0.2 -1,-0.2 -3,-0.0 -3,-0.0 0.435 116.0 116.2 74.8 -1.6 4.5 -8.8 50.9 13 13 A K E < -A 10 0A 143 -3,-1.3 -3,-2.7 76,-0.1 2,-0.2 -0.881 64.7-126.1-104.8 129.7 7.1 -6.0 51.0 14 14 A P E -A 9 0A 11 0, 0.0 2,-0.4 0, 0.0 20,-0.3 -0.525 21.3-168.2 -79.1 137.2 7.9 -4.1 47.8 15 15 A V E -A 8 0A 2 -7,-3.2 -7,-2.6 -2,-0.2 2,-0.3 -0.978 15.0-139.7-126.6 117.3 11.6 -3.8 46.7 16 16 A I E -AB 7 31A 0 15,-2.1 15,-2.0 -2,-0.4 2,-0.5 -0.591 14.6-154.2 -74.7 130.1 12.5 -1.4 43.8 17 17 A R E -AB 6 30A 26 -11,-2.5 -11,-1.8 -2,-0.3 2,-0.5 -0.932 5.2-163.8-108.0 131.8 15.1 -2.8 41.4 18 18 A I E -AB 5 29A 8 11,-2.9 11,-2.7 -2,-0.5 2,-0.5 -0.963 6.7-153.8-119.8 112.2 17.3 -0.3 39.5 19 19 A F E -AB 4 28A 4 -15,-2.1 -16,-2.8 -2,-0.5 -15,-1.1 -0.762 22.4-179.2 -90.0 128.0 19.2 -1.7 36.5 20 20 A K E -AB 2 27A 40 7,-2.7 7,-2.2 -2,-0.5 2,-0.6 -0.960 29.5-154.1-134.8 142.8 22.3 0.2 35.7 21 21 A K E + B 0 26A 3 -20,-2.5 2,-0.4 -2,-0.4 5,-0.2 -0.979 31.7 162.9-111.7 114.2 25.1 0.2 33.2 22 22 A E E > - B 0 25A 69 3,-2.2 3,-1.5 -2,-0.6 -2,-0.1 -0.970 63.2 -16.4-140.7 125.0 28.2 1.8 34.7 23 23 A N T 3 S- 0 0 154 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.892 127.7 -50.8 50.4 48.3 31.9 1.6 33.6 24 24 A G T 3 S+ 0 0 53 110,-0.2 2,-0.5 1,-0.1 -1,-0.3 0.520 117.7 113.6 72.6 8.3 31.1 -1.4 31.3 25 25 A E E < -B 22 0A 139 -3,-1.5 -3,-2.2 2,-0.0 2,-0.3 -0.941 56.4-147.8-123.2 119.5 29.4 -3.2 34.1 26 26 A F E +B 21 0A 55 -2,-0.5 2,-0.3 -5,-0.2 -5,-0.2 -0.583 31.0 161.1 -71.3 136.7 25.7 -4.2 34.4 27 27 A K E -B 20 0A 87 -7,-2.2 -7,-2.7 -2,-0.3 2,-0.5 -0.973 34.6-131.0-151.9 166.3 24.4 -4.2 38.0 28 28 A I E -B 19 0A 36 -2,-0.3 -9,-0.2 -9,-0.2 2,-0.2 -0.959 18.2-162.1-123.1 111.6 21.1 -4.1 39.9 29 29 A D E -B 18 0A 57 -11,-2.7 -11,-2.9 -2,-0.5 2,-0.3 -0.617 11.6-146.5 -85.0 154.3 20.6 -1.7 42.9 30 30 A Y E -B 17 0A 125 -2,-0.2 2,-0.4 -13,-0.2 -13,-0.2 -0.928 12.8-167.0-122.6 143.6 17.9 -2.3 45.4 31 31 A D E +B 16 0A 30 -15,-2.0 -15,-2.1 -2,-0.3 3,-0.4 -0.915 10.8 171.9-131.9 106.0 15.7 0.1 47.4 32 32 A R S S+ 0 0 135 -2,-0.4 -1,-0.1 1,-0.2 0, 0.0 0.542 70.5 66.7 -88.5 -7.2 13.8 -1.5 50.2 33 33 A N + 0 0 139 -17,-0.1 2,-0.6 2,-0.1 -1,-0.2 -0.214 63.4 117.7-115.7 40.0 12.6 1.8 51.7 34 34 A F - 0 0 22 -3,-0.4 86,-0.1 -20,-0.3 -3,-0.0 -0.940 47.9-156.6-111.8 120.0 10.3 3.2 49.1 35 35 A E - 0 0 83 -2,-0.6 53,-0.1 54,-0.1 54,-0.1 -0.807 9.0-134.0-102.0 129.0 6.8 3.7 50.4 36 36 A P + 0 0 5 0, 0.0 51,-2.0 0, 0.0 2,-0.3 -0.385 32.9 169.5 -70.1 158.0 3.7 3.9 48.2 37 37 A Y E -C 86 0B 8 49,-0.2 2,-0.3 74,-0.2 49,-0.2 -0.978 21.7-159.6-160.8 159.8 1.1 6.6 48.9 38 38 A I E -C 85 0B 1 47,-1.6 47,-2.8 -2,-0.3 2,-0.3 -0.861 22.9-119.7-131.7 173.1 -2.0 8.3 47.6 39 39 A Y E -CD 84 110B 5 71,-2.0 71,-2.5 -2,-0.3 2,-0.4 -0.851 22.6-166.7-109.4 154.0 -3.6 11.7 48.4 40 40 A A E -CD 83 109B 0 43,-1.5 43,-2.4 -2,-0.3 2,-0.6 -0.994 13.9-145.9-141.0 132.6 -7.2 12.2 49.8 41 41 A L E - D 0 108B 38 67,-2.8 66,-2.4 -2,-0.4 67,-0.8 -0.896 25.0-168.3 -97.9 122.0 -9.3 15.4 50.0 42 42 A L E - D 0 106B 17 -2,-0.6 64,-0.2 39,-0.4 3,-0.2 -0.759 28.6-135.4-110.9 156.4 -11.4 15.4 53.2 43 43 A K S S+ 0 0 155 62,-2.5 2,-0.3 1,-0.3 -1,-0.1 0.872 95.0 12.3 -75.6 -38.5 -14.3 17.6 54.2 44 44 A D S > S- 0 0 97 61,-0.3 3,-2.2 1,-0.1 -1,-0.3 -0.996 72.3-128.4-141.3 134.1 -13.0 18.0 57.8 45 45 A D G > S+ 0 0 74 -2,-0.3 3,-1.7 1,-0.3 4,-0.2 0.748 103.4 73.1 -52.2 -25.0 -9.6 17.1 59.2 46 46 A S G > S+ 0 0 85 1,-0.3 3,-1.4 2,-0.1 4,-0.3 0.806 82.0 71.6 -64.1 -25.6 -11.3 15.2 62.0 47 47 A A G X> S+ 0 0 9 -3,-2.2 4,-2.0 1,-0.3 3,-0.6 0.580 75.8 80.8 -66.7 -12.4 -12.2 12.4 59.5 48 48 A I H <> S+ 0 0 7 -3,-1.7 4,-3.5 1,-0.2 -1,-0.3 0.776 82.4 62.6 -66.3 -26.1 -8.6 11.2 59.2 49 49 A E H <4 S+ 0 0 114 -3,-1.4 4,-0.3 -4,-0.2 -1,-0.2 0.817 108.4 44.0 -69.9 -27.9 -8.9 9.2 62.4 50 50 A D H X4 S+ 0 0 95 -3,-0.6 3,-0.8 -4,-0.3 -2,-0.2 0.875 114.4 48.6 -74.0 -45.6 -11.6 7.3 60.6 51 51 A V H >< S+ 0 0 0 -4,-2.0 3,-2.2 1,-0.2 14,-0.2 0.952 105.3 58.1 -62.4 -48.8 -9.5 7.0 57.4 52 52 A K T 3< S+ 0 0 89 -4,-3.5 13,-0.3 1,-0.3 -1,-0.2 0.688 109.9 46.8 -49.3 -23.8 -6.4 5.9 59.4 53 53 A K T < S+ 0 0 122 -3,-0.8 -1,-0.3 -4,-0.3 2,-0.2 0.308 82.2 116.4-110.1 6.6 -8.5 3.0 60.7 54 54 A I < - 0 0 26 -3,-2.2 11,-0.9 -4,-0.2 2,-0.3 -0.546 42.6-176.8 -72.8 139.1 -10.1 1.8 57.4 55 55 A T E -G 64 0C 54 -2,-0.2 2,-0.3 9,-0.2 9,-0.2 -0.980 12.7-174.1-136.7 150.8 -9.0 -1.7 56.3 56 56 A A E -G 63 0C 5 7,-1.8 7,-3.1 -2,-0.3 2,-0.5 -0.823 28.2-106.2-130.6 176.0 -9.6 -4.0 53.4 57 57 A E E -G 62 0C 103 -2,-0.3 2,-0.5 5,-0.2 5,-0.2 -0.919 24.4-178.6-111.5 125.0 -8.7 -7.7 52.6 58 58 A R E > S-G 61 0C 63 3,-3.3 3,-2.5 -2,-0.5 34,-0.0 -0.966 80.5 -32.3-117.9 112.9 -6.1 -8.9 50.2 59 59 A H T 3 S- 0 0 181 -2,-0.5 -1,-0.1 1,-0.3 3,-0.1 0.881 125.0 -46.0 46.2 52.8 -5.9 -12.7 50.0 60 60 A G T 3 S+ 0 0 69 1,-0.2 2,-0.4 0, 0.0 -1,-0.3 0.212 117.2 116.6 79.6 -16.4 -7.0 -13.1 53.7 61 61 A T E < -G 58 0C 96 -3,-2.5 -3,-3.3 1,-0.0 2,-0.5 -0.739 68.1-125.4 -91.9 130.9 -4.5 -10.4 54.8 62 62 A T E -G 57 0C 71 -2,-0.4 2,-0.5 -5,-0.2 -5,-0.2 -0.623 23.7-155.1 -71.2 118.3 -5.8 -7.2 56.3 63 63 A V E -G 56 0C 8 -7,-3.1 -7,-1.8 -2,-0.5 2,-0.3 -0.870 17.5-173.9-100.4 132.0 -4.4 -4.2 54.4 64 64 A R E -G 55 0C 80 -2,-0.5 2,-0.7 -9,-0.2 24,-0.3 -0.820 36.2-103.9-125.6 156.5 -4.2 -1.0 56.4 65 65 A V - 0 0 12 -11,-0.9 22,-0.2 -2,-0.3 3,-0.1 -0.762 36.8-164.8 -75.5 114.8 -3.4 2.7 56.0 66 66 A V - 0 0 74 20,-1.8 2,-0.3 -2,-0.7 21,-0.2 0.881 59.5 -10.3 -73.9 -41.0 0.1 2.7 57.6 67 67 A R E -E 86 0B 96 19,-0.7 19,-3.4 -3,-0.1 2,-0.4 -0.990 55.5-156.0-160.2 147.7 0.5 6.5 58.1 68 68 A A E +E 85 0B 18 -2,-0.3 2,-0.3 17,-0.2 17,-0.2 -0.996 10.9 175.4-130.7 139.7 -1.1 9.9 57.2 69 69 A E E -E 84 0B 74 15,-1.4 15,-3.2 -2,-0.4 2,-0.3 -0.997 29.4-122.0-137.2 146.1 0.3 13.4 57.0 70 70 A K E -E 83 0B 82 -2,-0.3 2,-0.3 13,-0.2 13,-0.2 -0.681 34.0-176.5 -82.9 135.4 -1.3 16.6 55.9 71 71 A V E -E 82 0B 32 11,-2.9 11,-2.3 -2,-0.3 2,-0.5 -0.985 24.9-131.9-133.6 145.0 0.4 18.4 53.0 72 72 A K E +E 81 0B 133 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.856 39.1 158.7 -92.9 125.9 -0.1 21.7 51.2 73 73 A K E -E 80 0B 14 7,-2.4 7,-3.1 -2,-0.5 2,-0.4 -0.855 39.0-109.0-135.5 170.7 -0.1 21.3 47.4 74 74 A K E +Ef 79 366B 88 291,-2.1 293,-2.7 -2,-0.3 2,-0.3 -0.894 38.1 166.2-106.9 139.2 -1.4 23.3 44.4 75 75 A F E > +E 78 0B 27 3,-3.2 3,-2.4 -2,-0.4 293,-0.1 -0.986 62.9 3.5-149.4 138.1 -4.3 22.0 42.3 76 76 A L T 3 S- 0 0 113 -2,-0.3 -1,-0.0 291,-0.3 290,-0.0 0.761 129.6 -57.5 60.4 27.2 -6.5 23.7 39.7 77 77 A G T 3 S+ 0 0 46 1,-0.2 -1,-0.3 345,-0.0 -3,-0.0 0.483 124.4 78.6 83.1 5.3 -4.5 26.9 39.9 78 78 A R E < S- E 0 75B 88 -3,-2.4 -3,-3.2 0, 0.0 -1,-0.2 -0.924 88.7 -82.2-142.4 161.3 -5.1 27.3 43.6 79 79 A P E - E 0 74B 89 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.383 41.8-172.1 -67.6 143.3 -3.9 25.9 47.0 80 80 A I E - E 0 73B 23 -7,-3.1 -7,-2.4 -2,-0.1 2,-0.6 -0.986 17.2-143.3-133.4 144.6 -5.4 22.6 48.2 81 81 A E E + E 0 72B 91 -2,-0.3 -39,-0.4 -9,-0.2 2,-0.3 -0.949 34.4 164.8-110.5 115.0 -5.0 20.9 51.6 82 82 A V E - E 0 71B 0 -11,-2.3 -11,-2.9 -2,-0.6 2,-0.5 -0.778 34.9-115.0-129.3 170.9 -4.8 17.1 51.3 83 83 A W E -CE 40 70B 31 -43,-2.4 -43,-1.5 -2,-0.3 2,-0.7 -0.931 17.8-144.3-113.5 127.0 -3.8 14.0 53.2 84 84 A K E -CE 39 69B 31 -15,-3.2 -15,-1.4 -2,-0.5 2,-0.7 -0.795 17.0-160.2 -90.9 113.1 -1.0 11.8 52.2 85 85 A L E -CE 38 68B 0 -47,-2.8 -47,-1.6 -2,-0.7 -17,-0.2 -0.855 6.3-155.3-102.7 114.5 -1.9 8.1 52.9 86 86 A Y E -CE 37 67B 19 -19,-3.4 -20,-1.8 -2,-0.7 -19,-0.7 -0.510 12.6-175.2 -87.7 154.3 1.0 5.7 53.2 87 87 A F - 0 0 3 -51,-2.0 -22,-0.1 -22,-0.2 -24,-0.0 -0.816 33.2-127.0-135.2 176.8 0.8 2.0 52.5 88 88 A T S S+ 0 0 67 -24,-0.3 -1,-0.1 1,-0.3 -23,-0.1 0.863 93.7 27.2 -87.7 -51.4 2.9 -1.2 52.7 89 89 A H >> - 0 0 0 -76,-0.1 3,-2.1 1,-0.1 4,-0.5 -0.937 65.7-136.6-124.6 136.6 2.3 -2.4 49.2 90 90 A P T >4 S+ 0 0 15 0, 0.0 3,-0.7 0, 0.0 -1,-0.1 0.755 109.4 58.0 -54.4 -27.2 1.5 -0.7 45.9 91 91 A Q T 3> S+ 0 0 99 1,-0.2 4,-0.7 2,-0.2 0, 0.0 0.563 91.5 69.7 -83.0 -11.3 -1.1 -3.4 45.2 92 92 A D H <> S+ 0 0 10 -3,-2.1 4,-1.8 1,-0.2 5,-0.2 0.724 84.1 78.0 -68.7 -25.6 -2.8 -2.6 48.5 93 93 A Q H S+ 0 0 84 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.950 113.2 52.5 -62.8 -45.7 -6.9 -0.5 44.7 95 95 A A H X S+ 0 0 37 -4,-0.7 4,-0.5 1,-0.2 -2,-0.2 0.857 120.6 33.0 -56.3 -39.7 -8.3 -2.8 47.3 96 96 A I H X S+ 0 0 0 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.623 105.3 73.3 -94.8 -17.0 -8.4 0.0 49.9 97 97 A R H X S+ 0 0 9 -4,-2.1 4,-2.1 -5,-0.2 -2,-0.2 0.934 95.5 52.1 -59.4 -49.4 -9.1 2.8 47.4 98 98 A D H X S+ 0 0 120 -4,-1.6 4,-0.7 1,-0.2 -1,-0.2 0.885 111.7 46.4 -56.1 -43.4 -12.7 1.7 46.9 99 99 A K H >< S+ 0 0 107 -4,-0.5 3,-1.4 1,-0.2 4,-0.4 0.963 112.1 47.6 -66.1 -53.0 -13.3 1.7 50.7 100 100 A I H >< S+ 0 0 0 -4,-2.3 3,-1.3 1,-0.3 -2,-0.2 0.846 107.3 59.1 -56.3 -38.0 -11.8 5.1 51.5 101 101 A K H 3< S+ 0 0 43 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.698 99.1 57.7 -66.1 -22.8 -13.7 6.6 48.6 102 102 A E T << S+ 0 0 153 -3,-1.4 -1,-0.2 -4,-0.7 -2,-0.2 0.503 77.2 111.9 -86.7 -6.6 -17.1 5.6 50.1 103 103 A H S X S- 0 0 31 -3,-1.3 3,-2.6 -4,-0.4 -56,-0.0 -0.594 71.2-137.5 -68.6 123.2 -16.3 7.6 53.3 104 104 A P T 3 S+ 0 0 104 0, 0.0 -1,-0.2 0, 0.0 -3,-0.0 0.744 102.7 56.4 -55.2 -27.5 -18.9 10.5 53.3 105 105 A A T 3 S+ 0 0 16 -58,-0.1 -62,-2.5 -63,-0.1 2,-0.6 0.340 88.2 89.9 -86.0 4.8 -16.1 12.8 54.5 106 106 A V E < -D 42 0B 13 -3,-2.6 -64,-0.3 -64,-0.2 3,-0.1 -0.905 51.3-174.6-107.6 110.3 -13.8 12.0 51.5 107 107 A V E - 0 0 80 -66,-2.4 2,-0.3 -2,-0.6 -1,-0.2 0.948 66.5 -47.0 -70.6 -52.0 -14.4 14.3 48.4 108 108 A D E -D 41 0B 58 -67,-0.8 -67,-2.8 -8,-0.0 -1,-0.3 -0.968 50.4-112.2-166.3-177.3 -12.0 12.2 46.3 109 109 A I E -D 40 0B 16 -2,-0.3 2,-0.3 -69,-0.2 -69,-0.2 -0.770 26.7-157.3-117.8 157.5 -8.6 10.5 46.0 110 110 A Y E +D 39 0B 13 -71,-2.5 -71,-2.0 -2,-0.3 260,-0.0 -0.959 59.2 12.2-139.3 153.3 -5.6 11.2 43.9 111 111 A E S S+ 0 0 10 257,-0.4 3,-0.2 -2,-0.3 -74,-0.2 0.888 76.5 133.1 54.9 50.2 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340,-0.2 2,-0.9 1,-0.1 5,-0.0 -0.780 73.4-144.3 -92.0 132.3 3.1 -0.1 3.6 273 273 A Y + 0 0 35 -2,-0.4 2,-0.2 -3,-0.1 -8,-0.1 -0.444 34.1 161.2 -97.5 59.5 5.7 -0.5 6.4 274 274 A T > - 0 0 41 -2,-0.9 4,-1.5 1,-0.1 3,-0.3 -0.531 53.8-117.5 -74.3 147.3 8.0 -3.1 5.0 275 275 A L H > S+ 0 0 16 1,-0.2 4,-1.5 2,-0.2 -1,-0.1 0.793 121.0 51.6 -48.6 -27.0 11.4 -3.3 6.5 276 276 A E H > S+ 0 0 37 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.852 101.5 55.3 -85.5 -37.9 12.5 -2.4 3.0 277 277 A A H > S+ 0 0 28 -3,-0.3 4,-1.6 1,-0.2 -2,-0.2 0.752 111.7 48.4 -62.8 -25.4 10.2 0.6 2.5 278 278 A V H X S+ 0 0 1 -4,-1.5 4,-1.8 2,-0.2 -2,-0.2 0.881 106.7 51.3 -85.3 -43.8 11.8 2.0 5.7 279 279 A Y H < S+ 0 0 38 -4,-1.5 6,-0.6 -5,-0.2 5,-0.4 0.742 110.5 55.5 -63.7 -23.6 15.5 1.4 4.8 280 280 A E H >X S+ 0 0 45 -4,-1.3 4,-2.7 3,-0.2 3,-1.4 0.991 107.4 45.1 -66.1 -67.2 14.5 3.2 1.5 281 281 A A H 3< S+ 0 0 65 -4,-1.6 -2,-0.2 1,-0.2 -3,-0.1 0.855 120.1 35.9 -43.7 -54.2 13.2 6.5 3.1 282 282 A I T 3< S+ 0 0 60 -4,-1.8 -1,-0.2 1,-0.1 -2,-0.1 0.306 129.4 27.9 -97.9 8.7 15.9 7.1 5.7 283 283 A F T <4 S- 0 0 86 -3,-1.4 -2,-0.2 -4,-0.4 -3,-0.2 0.565 84.1-137.1-136.1 -30.8 19.0 5.9 3.8 284 284 A G < + 0 0 68 -4,-2.7 -4,-0.1 -5,-0.4 -3,-0.1 0.460 63.9 118.6 82.1 2.8 18.4 6.4 0.1 285 285 A Q S S- 0 0 41 -6,-0.6 -1,-0.3 -5,-0.2 -2,-0.1 -0.848 70.2-101.4-104.1 138.9 19.9 3.0 -0.9 286 286 A P - 0 0 122 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.133 26.4-127.0 -61.4 154.2 17.8 0.2 -2.7 287 287 A K - 0 0 37 2,-0.0 -2,-0.0 -11,-0.0 -10,-0.0 0.940 10.1-146.2 -66.5 -57.2 16.4 -2.7 -0.7 288 288 A E - 0 0 82 1,-0.2 2,-0.4 -12,-0.0 26,-0.1 0.919 35.0-174.9 66.9 61.6 17.5 -6.0 -2.4 289 289 A K - 0 0 63 -13,-0.0 2,-0.5 0, 0.0 -1,-0.2 -0.767 21.2-161.7 -93.9 129.1 14.2 -7.5 -1.3 290 290 A V - 0 0 26 -2,-0.4 5,-0.0 18,-0.1 0, 0.0 -0.965 26.8-128.9-109.0 123.2 13.4 -11.2 -1.9 291 291 A Y > - 0 0 26 -2,-0.5 4,-1.0 1,-0.1 3,-0.2 0.014 20.0 -99.6 -74.5 175.3 9.7 -11.9 -1.6 292 292 A A H > S+ 0 0 14 406,-1.5 4,-1.6 1,-0.2 5,-0.1 0.758 116.5 53.8 -67.0 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108.6 -2.1 16.1 -26.1 -1.8 303 303 A E T 3 S+ 0 0 55 -6,-0.4 -1,-0.4 1,-0.2 -2,-0.1 -0.803 74.0 20.7 -91.8 125.3 16.6 -23.9 -4.9 304 304 A G T 3> S+ 0 0 35 -2,-0.5 4,-1.2 -3,-0.1 -1,-0.2 0.604 82.9 131.6 91.0 16.8 17.3 -20.3 -4.0 305 305 A L H <> + 0 0 25 -3,-0.8 4,-2.0 1,-0.2 3,-0.3 0.902 68.8 51.4 -66.2 -45.2 18.4 -21.2 -0.5 306 306 A E H > S+ 0 0 102 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.800 107.9 54.2 -63.5 -31.0 21.7 -19.1 -0.5 307 307 A R H > S+ 0 0 39 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.813 107.3 50.6 -70.9 -33.3 19.6 -16.1 -1.7 308 308 A V H X S+ 0 0 8 -4,-1.2 4,-3.4 -3,-0.3 -2,-0.2 0.899 108.5 51.8 -69.0 -42.6 17.3 -16.5 1.3 309 309 A A H X S+ 0 0 0 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.805 110.0 49.4 -63.8 -32.6 20.3 -16.7 3.7 310 310 A R H X S+ 0 0 38 -4,-1.3 4,-2.6 2,-0.2 -1,-0.2 0.906 113.6 46.8 -68.2 -43.7 21.6 -13.4 2.1 311 311 A Y H X S+ 0 0 38 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.929 112.5 48.5 -62.3 -49.3 18.2 -11.9 2.6 312 312 A S H X S+ 0 0 0 -4,-3.4 4,-1.7 2,-0.2 -1,-0.2 0.921 112.1 49.8 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