==== 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 25-JUN-08 2VWJ . 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 . 757 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35212.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 521 68.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 2.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 113 14.9 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 . 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 . 55 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 69 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 244 32.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 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 3 2 1 0 3 2 3 1 0 0 0 2 1 1 2 1 0 0 0 0 1 0 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 0 1 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 4 1 1 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 . 2 3 0 0 3 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 26 0, 0.0 20,-1.4 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 151.6 -17.5 1.5 21.0 2 2 A I E +A 20 0A 18 125,-0.4 127,-2.3 18,-0.2 18,-0.3 -0.580 360.0 176.6 -68.8 128.8 -16.7 4.8 19.3 3 3 A L E - 0 0 1 16,-3.8 338,-0.4 1,-0.4 339,-0.3 0.736 58.8 -21.7-105.4 -36.2 -15.4 7.3 21.9 4 4 A D E -A 19 0A 13 15,-1.2 15,-2.4 336,-0.1 -1,-0.4 -0.979 51.0-144.0-162.9 168.2 -14.6 10.3 19.8 5 5 A T E +A 18 0A 9 -2,-0.3 2,-0.3 13,-0.2 13,-0.2 -0.992 23.6 151.2-139.3 147.6 -13.9 11.6 16.4 6 6 A D E -A 17 0A 22 11,-1.8 11,-3.2 -2,-0.3 2,-0.3 -0.907 30.7-122.1-150.3-179.0 -11.6 14.4 15.0 7 7 A Y E -A 16 0A 65 -2,-0.3 2,-0.4 9,-0.3 9,-0.2 -0.953 12.3-158.7-126.5 153.4 -9.7 15.2 11.8 8 8 A I E -A 15 0A 59 7,-2.5 7,-1.2 -2,-0.3 2,-0.3 -0.999 19.3-128.0-127.1 137.9 -6.0 15.9 11.0 9 9 A T E +A 14 0A 75 -2,-0.4 2,-0.3 5,-0.2 80,-0.0 -0.626 29.9 174.3 -74.6 134.2 -4.7 17.7 7.9 10 10 A E E > S-A 13 0A 80 3,-2.7 3,-1.1 -2,-0.3 -2,-0.0 -0.855 71.8 -8.5-148.3 119.7 -1.9 15.8 6.0 11 11 A D T 3 S- 0 0 163 -2,-0.3 -1,-0.0 1,-0.2 -2,-0.0 0.835 129.7 -59.6 62.8 37.5 -0.4 17.1 2.7 12 12 A G T 3 S+ 0 0 48 1,-0.2 -1,-0.2 76,-0.0 -3,-0.0 0.291 117.6 114.5 76.3 -9.1 -3.2 19.7 2.8 13 13 A K E < -A 10 0A 92 -3,-1.1 -3,-2.7 76,-0.1 -1,-0.2 -0.797 67.1-119.4 -99.3 135.7 -5.9 16.9 2.8 14 14 A P E -A 9 0A 15 0, 0.0 2,-0.4 0, 0.0 -5,-0.2 -0.402 25.4-166.6 -71.4 143.0 -8.3 16.2 5.8 15 15 A V E -A 8 0A 4 -7,-1.2 -7,-2.5 -2,-0.1 2,-0.4 -0.979 12.8-139.3-136.8 125.4 -8.3 12.8 7.5 16 16 A I E -AB 7 31A 1 15,-2.8 15,-1.9 -2,-0.4 2,-0.5 -0.661 12.8-162.5 -84.8 127.0 -10.9 11.6 9.9 17 17 A R E -AB 6 30A 24 -11,-3.2 -11,-1.8 -2,-0.4 2,-0.6 -0.940 0.2-163.9-103.5 131.5 -9.8 9.7 13.0 18 18 A I E -AB 5 29A 8 11,-2.2 11,-2.7 -2,-0.5 2,-0.5 -0.970 11.6-149.2-113.5 115.4 -12.4 7.6 14.8 19 19 A F E +AB 4 28A 1 -15,-2.4 -16,-3.8 -2,-0.6 -15,-1.2 -0.755 25.8 171.2 -89.6 122.3 -11.3 6.6 18.3 20 20 A K E -AB 2 27A 42 7,-2.9 7,-1.9 -2,-0.5 2,-0.3 -0.753 32.0-154.3-123.7 166.4 -12.6 3.3 19.5 21 21 A K E + B 0 26A 18 -20,-1.4 2,-0.4 -2,-0.2 5,-0.2 -0.891 25.5 171.9-137.9 110.2 -12.3 0.8 22.3 22 22 A E E > - B 0 25A 84 3,-2.2 3,-1.1 -2,-0.3 -2,-0.0 -0.983 64.8 -16.6-127.6 122.6 -13.2 -2.8 21.2 23 23 A N T 3 S- 0 0 136 -2,-0.4 -1,-0.2 1,-0.2 3,-0.0 0.972 128.4 -46.8 48.3 69.6 -12.7 -5.9 23.4 24 24 A G T 3 S+ 0 0 43 -3,-0.1 2,-0.5 1,-0.1 -1,-0.2 0.493 117.7 113.4 59.2 4.5 -10.2 -4.4 25.8 25 25 A E E < -B 22 0A 134 -3,-1.1 -3,-2.2 2,-0.0 2,-0.2 -0.919 58.3-144.9-118.8 118.7 -8.2 -2.8 22.9 26 26 A F E +B 21 0A 52 -2,-0.5 2,-0.3 -5,-0.2 -5,-0.2 -0.525 31.1 169.0 -67.6 138.2 -7.9 0.9 22.1 27 27 A K E -B 20 0A 55 -7,-1.9 -7,-2.9 -2,-0.2 2,-0.6 -0.988 30.4-142.8-155.5 152.3 -7.7 1.6 18.3 28 28 A I E -B 19 0A 32 -2,-0.3 2,-0.2 -9,-0.2 -9,-0.2 -0.930 17.2-161.7-115.8 113.7 -7.8 4.5 15.8 29 29 A D E -B 18 0A 66 -11,-2.7 -11,-2.2 -2,-0.6 2,-0.3 -0.629 11.8-143.1 -92.5 157.5 -9.6 4.1 12.5 30 30 A Y E -B 17 0A 118 -2,-0.2 2,-0.4 -13,-0.2 -13,-0.2 -0.885 15.5-171.6-123.5 148.6 -8.9 6.4 9.5 31 31 A D E +B 16 0A 19 -15,-1.9 -15,-2.8 -2,-0.3 3,-0.1 -0.949 13.3 167.1-140.2 120.9 -11.0 7.9 6.7 32 32 A R S S+ 0 0 149 -2,-0.4 -1,-0.1 -17,-0.2 -17,-0.0 0.290 72.3 69.1-108.1 5.1 -9.4 9.8 3.8 33 33 A N + 0 0 128 -17,-0.1 2,-0.8 2,-0.1 -1,-0.1 0.433 64.1 112.1-109.4 -1.0 -12.6 9.8 1.7 34 34 A F - 0 0 28 -20,-0.1 86,-0.1 -3,-0.1 -3,-0.1 -0.650 52.3-154.6 -86.4 111.1 -14.9 12.1 3.6 35 35 A E - 0 0 74 -2,-0.8 53,-0.1 54,-0.1 54,-0.1 -0.690 10.0-132.9 -87.4 129.9 -15.6 15.4 1.7 36 36 A P + 0 0 5 0, 0.0 51,-1.3 0, 0.0 2,-0.3 -0.376 37.5 167.5 -65.0 153.5 -16.7 18.6 3.5 37 37 A Y E -C 86 0B 12 49,-0.2 2,-0.3 74,-0.2 49,-0.2 -0.990 26.1-158.9-164.6 156.9 -19.6 20.4 1.9 38 38 A I E -C 85 0B 0 47,-2.1 47,-1.8 -2,-0.3 2,-0.4 -0.785 25.2-115.6-128.0 179.6 -22.3 23.1 2.2 39 39 A Y E -CD 84 110B 6 71,-2.2 71,-2.9 -2,-0.3 2,-0.4 -0.980 24.0-169.0-119.2 133.7 -25.6 23.7 0.5 40 40 A A E -CD 83 109B 0 43,-3.4 43,-3.8 -2,-0.4 2,-0.5 -0.974 12.3-146.3-121.2 138.1 -26.4 26.7 -1.7 41 41 A L E - D 0 108B 34 67,-4.2 66,-3.4 -2,-0.4 67,-1.2 -0.914 20.4-158.9-102.5 124.2 -29.9 27.8 -2.9 42 42 A L E - D 0 106B 21 -2,-0.5 64,-0.2 39,-0.3 3,-0.2 -0.783 25.6-141.8-108.2 144.0 -29.9 29.3 -6.4 43 43 A K S S+ 0 0 117 62,-2.5 2,-0.4 -2,-0.3 -1,-0.1 0.960 97.7 17.2 -60.2 -53.4 -32.4 31.6 -8.2 44 44 A D S > S- 0 0 104 61,-0.3 3,-0.8 -3,-0.1 -1,-0.3 -0.989 72.0-132.6-128.9 137.9 -31.8 29.7 -11.4 45 45 A D T 3 S+ 0 0 70 -2,-0.4 3,-0.2 1,-0.2 -1,-0.0 0.440 102.0 63.6 -57.7 -3.0 -30.3 26.3 -12.0 46 46 A S T > S+ 0 0 80 1,-0.2 3,-1.4 2,-0.1 -1,-0.2 0.881 81.1 69.5 -93.8 -46.4 -28.1 27.7 -14.8 47 47 A A T X> S+ 0 0 30 -3,-0.8 4,-1.4 1,-0.3 3,-0.7 0.408 70.8 105.5 -56.8 5.1 -25.9 30.3 -12.9 48 48 A I H 3> S+ 0 0 12 1,-0.2 4,-4.3 2,-0.2 -1,-0.3 0.823 71.5 58.4 -53.1 -35.7 -24.2 27.2 -11.4 49 49 A E H <4 S+ 0 0 123 -3,-1.4 -1,-0.2 2,-0.2 -2,-0.1 0.809 102.0 51.6 -70.4 -34.1 -21.2 27.7 -13.6 50 50 A D H <4 S+ 0 0 111 -3,-0.7 3,-0.4 -4,-0.2 -1,-0.2 0.850 119.2 38.8 -67.3 -36.3 -20.5 31.2 -12.3 51 51 A V H >< S+ 0 0 1 -4,-1.4 3,-3.3 1,-0.2 2,-0.6 0.939 102.6 65.9 -78.9 -51.7 -20.6 29.7 -8.8 52 52 A K T 3< S+ 0 0 61 -4,-4.3 -1,-0.2 1,-0.3 -3,-0.1 0.304 108.2 49.3 -54.6 15.4 -18.8 26.3 -9.6 53 53 A K T 3 S+ 0 0 69 -2,-0.6 -1,-0.3 -3,-0.4 -2,-0.2 0.161 78.6 126.7-144.5 11.9 -15.9 28.8 -10.2 54 54 A I < - 0 0 24 -3,-3.3 11,-0.6 11,-0.0 2,-0.3 -0.416 35.9-174.8 -73.5 157.2 -15.9 31.0 -7.1 55 55 A T E -H 64 0C 76 9,-0.1 2,-0.3 -2,-0.1 9,-0.2 -0.988 16.8-178.5-157.3 138.6 -12.6 31.3 -5.2 56 56 A A E -H 63 0C 26 7,-1.2 7,-2.8 -2,-0.3 2,-0.5 -0.976 22.9-129.2-138.5 157.0 -11.1 32.9 -2.0 57 57 A E E +H 62 0C 74 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.914 29.4 163.9-113.4 124.2 -7.6 32.9 -0.6 58 58 A R E > +H 61 0C 45 3,-1.8 3,-0.5 -2,-0.5 -2,-0.0 -0.992 68.6 0.9-143.1 137.0 -6.7 32.0 3.0 59 59 A H T 3 S- 0 0 107 -2,-0.3 2,-1.9 1,-0.2 -1,-0.1 0.938 125.6 -64.1 46.5 54.5 -3.3 31.1 4.6 60 60 A G T 3 S+ 0 0 80 -3,-0.1 -1,-0.2 1,-0.1 2,-0.2 -0.234 116.0 98.4 77.3 -50.2 -1.6 31.7 1.2 61 61 A T E < S-H 58 0C 99 -2,-1.9 -3,-1.8 -3,-0.5 2,-0.3 -0.461 72.4-124.4 -74.2 139.9 -3.3 28.9 -0.8 62 62 A T E -H 57 0C 104 -5,-0.2 2,-0.5 -2,-0.2 -5,-0.2 -0.667 21.1-139.7 -87.4 144.8 -6.3 29.6 -3.0 63 63 A V E -H 56 0C 9 -7,-2.8 -7,-1.2 -2,-0.3 2,-0.2 -0.898 19.1-176.2-115.8 122.3 -9.6 27.7 -2.5 64 64 A R E -H 55 0C 54 -2,-0.5 2,-1.4 -9,-0.2 24,-0.3 -0.613 39.9-102.3-109.5 169.5 -11.9 26.4 -5.2 65 65 A V - 0 0 8 -11,-0.6 22,-0.2 -2,-0.2 21,-0.2 -0.645 34.2-161.2 -89.0 76.1 -15.3 24.6 -5.2 66 66 A V - 0 0 78 -2,-1.4 2,-0.2 20,-0.1 21,-0.2 0.583 67.4 -13.6 -33.2 -19.8 -13.9 21.1 -5.9 67 67 A R B -E 86 0B 110 19,-0.7 19,-2.7 -3,-0.0 2,-0.3 -0.855 54.8-148.9 176.9 145.3 -17.4 20.1 -7.1 68 68 A A - 0 0 18 -2,-0.2 2,-0.3 17,-0.2 17,-0.2 -0.858 14.5-177.9-118.2 159.8 -21.1 21.0 -7.2 69 69 A E - 0 0 83 15,-0.5 15,-3.3 -2,-0.3 2,-0.6 -0.909 23.2-133.0-160.0 128.4 -24.1 18.6 -7.3 70 70 A K E +F 83 0B 79 -2,-0.3 2,-0.3 13,-0.2 13,-0.2 -0.781 33.6 177.1 -90.8 120.8 -27.8 19.4 -7.5 71 71 A V E -F 82 0B 43 11,-2.8 11,-2.2 -2,-0.6 2,-0.5 -0.920 26.2-131.1-130.1 148.4 -29.8 17.4 -5.0 72 72 A K E +F 81 0B 60 -2,-0.3 9,-0.2 9,-0.2 2,-0.2 -0.866 38.6 151.9-102.3 128.7 -33.5 17.3 -4.0 73 73 A K E -F 80 0B 15 7,-3.0 7,-2.6 -2,-0.5 2,-0.4 -0.643 42.5 -99.2-133.6-171.6 -34.4 17.6 -0.3 74 74 A K E -Fg 79 366B 89 291,-1.3 293,-2.5 5,-0.3 2,-0.5 -0.976 21.5-165.3-114.3 137.5 -37.2 18.7 2.1 75 75 A F E > S-Fg 78 367B 55 3,-3.2 3,-1.0 -2,-0.4 293,-0.1 -0.965 83.8 -21.0-118.5 111.0 -37.1 22.1 3.8 76 76 A L T 3 S- 0 0 56 291,-0.5 2,-0.9 -2,-0.5 -1,-0.1 0.923 125.9 -55.6 53.4 47.8 -39.6 22.0 6.7 77 77 A G T 3 S+ 0 0 28 1,-0.2 -1,-0.3 370,-0.0 344,-0.0 -0.135 119.0 106.2 86.6 -40.7 -41.5 19.2 5.0 78 78 A R E < S- F 0 75B 56 -3,-1.0 -3,-3.2 -2,-0.9 -1,-0.2 -0.457 81.0-103.5 -71.5 139.6 -42.0 21.1 1.7 79 79 A P E - 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0 0 20 1,-0.1 3,-4.0 -76,-0.1 4,-0.4 -0.956 69.2-130.0-125.3 128.1 -10.5 20.9 3.4 90 90 A P G > S+ 0 0 13 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 0.823 109.5 62.1 -28.5 -54.2 -13.0 21.6 6.2 91 91 A Q G 3 S+ 0 0 121 1,-0.3 4,-0.1 2,-0.2 0, 0.0 0.638 86.6 74.7 -58.2 -17.7 -11.3 24.9 6.9 92 92 A D G X> S+ 0 0 26 -3,-4.0 4,-2.2 1,-0.2 3,-1.3 0.874 86.4 66.6 -56.5 -40.2 -12.2 26.0 3.3 93 93 A V H <> S+ 0 0 18 -3,-1.9 4,-1.7 -4,-0.4 -1,-0.2 0.897 91.7 52.1 -56.6 -55.7 -15.8 26.6 4.4 94 94 A P H 34 S+ 0 0 62 0, 0.0 -1,-0.3 0, 0.0 4,-0.1 0.440 118.4 41.9 -68.6 7.4 -15.6 29.5 6.9 95 95 A A H <4 S+ 0 0 42 -3,-1.3 4,-0.4 -4,-0.1 -2,-0.2 0.736 115.6 41.0-117.9 -49.3 -13.6 31.5 4.3 96 96 A I H X S+ 0 0 1 -4,-2.2 4,-1.6 1,-0.1 3,-0.2 0.644 99.3 89.2 -72.5 -17.4 -15.4 30.8 0.9 97 97 A R H >X S+ 0 0 63 -4,-1.7 4,-2.2 -5,-0.3 3,-0.9 0.902 85.4 37.8 -49.1 -71.1 -18.7 31.1 2.7 98 98 A D H 3> S+ 0 0 96 1,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.728 114.1 58.6 -64.8 -24.7 -19.8 34.8 2.7 99 99 A K H 3> S+ 0 0 32 -4,-0.4 4,-1.2 2,-0.2 -1,-0.3 0.835 107.5 45.9 -71.4 -34.7 -18.4 35.1 -0.8 100 100 A I H << S+ 0 0 0 -4,-1.6 -2,-0.2 -3,-0.9 6,-0.2 0.904 115.2 47.8 -72.5 -40.9 -20.8 32.4 -2.1 101 101 A K H < S+ 0 0 98 -4,-2.2 -2,-0.2 1,-0.2 5,-0.2 0.954 107.2 55.7 -60.1 -53.5 -23.7 34.0 -0.2 102 102 A E H < S+ 0 0 157 -4,-2.6 -1,-0.2 -5,-0.1 -2,-0.2 0.803 80.3 106.4 -49.7 -43.3 -22.9 37.5 -1.5 103 103 A H S >< S- 0 0 32 -4,-1.2 3,-1.2 1,-0.1 -52,-0.0 -0.149 76.8-131.1 -37.9 126.1 -23.1 36.4 -5.2 104 104 A P T 3 S+ 0 0 116 0, 0.0 -1,-0.1 0, 0.0 -61,-0.1 0.804 103.3 57.6 -61.5 -31.0 -26.4 37.7 -6.6 105 105 A A T 3 S+ 0 0 18 -58,-0.1 -62,-2.5 -63,-0.1 2,-0.6 0.692 91.6 84.2 -70.9 -20.0 -27.5 34.3 -8.1 106 106 A V E < -D 42 0B 10 -3,-1.2 -64,-0.3 -64,-0.2 3,-0.1 -0.784 52.7-177.6 -90.1 121.3 -27.3 32.6 -4.6 107 107 A V E - 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0 0 91 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.471 16.3-131.0 -88.1 170.4 -20.5 15.1 54.5 287 287 A K - 0 0 11 -11,-0.3 2,-0.8 -2,-0.1 -11,-0.1 -0.980 22.0-124.8-123.2 115.8 -16.9 15.4 53.4 288 288 A E - 0 0 110 -2,-0.5 2,-0.0 1,-0.1 0, 0.0 -0.444 30.7-145.6 -64.4 102.6 -14.6 17.0 55.9 289 289 A K - 0 0 37 -2,-0.8 2,-0.4 1,-0.0 -1,-0.1 -0.365 9.0-157.2 -66.5 149.2 -13.0 19.9 54.0 290 290 A V - 0 0 4 18,-0.1 5,-0.1 -2,-0.0 -1,-0.0 -0.969 22.3-135.9-129.4 115.6 -9.4 20.9 54.7 291 291 A Y > - 0 0 155 -2,-0.4 4,-0.8 1,-0.1 5,-0.1 -0.108 14.4-112.8 -78.5 168.9 -8.8 24.5 53.7 292 292 A A H >> S+ 0 0 35 2,-0.2 4,-2.8 1,-0.2 3,-0.7 0.919 116.2 46.9 -65.7 -51.1 -5.9 26.2 51.8 293 293 A E H 3> S+ 0 0 109 1,-0.3 4,-1.1 2,-0.2 -1,-0.2 0.802 113.1 52.6 -59.6 -30.6 -4.4 28.3 54.7 294 294 A E H 3> S+ 0 0 65 2,-0.2 4,-1.3 1,-0.1 -1,-0.3 0.708 111.2 47.6 -76.2 -23.8 -4.7 25.1 56.8 295 295 A I H S+ 0 0 53 -2,-0.4 4,-1.3 -3,-0.1 -1,-0.2 0.825 74.3 135.5 68.6 34.3 -0.5 17.4 60.6 305 305 A L H > + 0 0 17 -3,-0.4 4,-1.8 2,-0.2 5,-0.2 0.732 64.2 66.6 -76.5 -26.3 0.4 16.2 57.0 306 306 A E H > S+ 0 0 104 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.829 102.2 48.0 -66.2 -33.5 -1.4 12.9 57.7 307 307 A R H >> S+ 0 0 105 2,-0.2 4,-1.6 1,-0.2 3,-1.2 0.990 109.2 52.3 -60.8 -62.7 -4.7 14.8 57.9 308 308 A V H 3X S+ 0 0 6 -4,-1.3 4,-1.5 1,-0.3 -2,-0.2 0.750 108.4 51.7 -51.4 -30.3 -3.9 16.7 54.6 309 309 A A H 3X S+ 0 0 0 -4,-1.8 4,-2.7 2,-0.2 -1,-0.3 0.860 102.9 57.0 -76.4 -35.4 -3.2 13.5 52.8 310 310 A R H X S+ 0 0 20 -4,-2.8 4,-1.7 1,-0.2 3,-0.6 0.754 102.8 72.2 -86.7 -26.2 -23.1 10.5 36.6 327 327 A F H 3X S+ 0 0 16 -4,-3.3 4,-3.2 -5,-0.3 5,-0.3 0.938 90.6 56.4 -55.8 -52.6 -21.3 8.8 33.7 328 328 A P H 3> S+ 0 0 36 0, 0.0 4,-1.2 0, 0.0 -1,-0.2 0.761 107.9 50.4 -61.9 -23.6 -24.1 6.3 32.7 329 329 A M H <> S+ 0 0 14 -3,-0.6 4,-2.4 -4,-0.3 -2,-0.2 0.920 112.6 44.0 -71.8 -47.8 -26.5 9.1 32.2 330 330 A E H X S+ 0 0 3 -4,-1.7 4,-2.6 -3,-0.3 -3,-0.1 0.886 110.9 57.1 -66.7 -36.2 -24.2 11.2 30.0 331 331 A A H X S+ 0 0 16 -4,-3.2 4,-2.0 -5,-0.2 -1,-0.2 0.896 107.5 47.5 -57.1 -42.1 -23.4 7.9 28.2 332 332 A Q H X S+ 0 0 11 -4,-1.2 4,-2.0 -5,-0.3 -2,-0.2 0.956 110.7 50.2 -67.9 -45.5 -27.1 7.5 27.5 333 333 A L H X S+ 0 0 2 -4,-2.4 4,-2.6 1,-0.2 5,-0.3 0.885 108.2 55.4 -56.2 -37.4 -27.5 11.1 26.3 334 334 A S H X>S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 5,-1.1 0.942 109.0 45.7 -62.0 -47.1 -24.5 10.5 24.0 335 335 A R H <5S+ 0 0 79 -4,-2.0 -1,-0.2 -206,-0.2 -2,-0.2 0.855 114.5 49.1 -59.3 -37.2 -26.1 7.5 22.3 336 336 A L H <5S+ 0 0 18 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.906 119.4 35.0 -77.2 -41.5 -29.4 9.2 21.9 337 337 A V H <5S- 0 0 1 -4,-2.6 22,-0.2 -5,-0.2 -1,-0.2 0.746 103.1-129.7 -83.5 -29.1 -28.0 12.4 20.4 338 338 A G T <5 + 0 0 0 -4,-2.4 2,-0.3 -5,-0.3 -3,-0.2 0.824 65.8 113.5 81.6 35.9 -25.3 10.6 18.5 339 339 A Q S > - 0 0 2 -2,-0.3 4,-3.0 1,-0.1 3,-0.7 -0.222 33.9-126.6 -60.5 145.7 -19.2 12.3 21.7 341 341 A L H 3> S+ 0 0 0 -338,-0.4 4,-1.7 1,-0.3 -1,-0.1 0.723 111.4 64.8 -65.8 -19.0 -19.7 12.2 25.5 342 342 A W H 34 S+ 0 0 11 -339,-0.3 -1,-0.3 2,-0.2 4,-0.2 0.913 112.2 33.5 -69.8 -40.2 -17.1 14.9 25.7 343 343 A D H X4 S+ 0 0 37 -3,-0.7 3,-2.0 2,-0.1 4,-0.5 0.955 118.0 51.8 -72.9 -56.8 -19.5 17.2 23.8 344 344 A V H >< S+ 0 0 2 -4,-3.0 3,-2.3 1,-0.3 -3,-0.2 0.915 106.4 53.0 -52.3 -50.5 -22.8 15.9 25.3 345 345 A S T 3< S+ 0 0 0 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.1 0.639 113.5 45.8 -64.0 -11.7 -21.7 16.2 28.9 346 346 A R T < S+ 0 0 26 -3,-2.0 -1,-0.3 -4,-0.2 -2,-0.2 0.381 96.9 101.0-108.6 3.5 -20.8 19.8 28.3 347 347 A S < - 0 0 19 -3,-2.3 2,-0.2 -4,-0.5 -3,-0.0 -0.525 68.7-126.3 -90.7 151.1 -24.0 20.8 26.4 348 348 A S > - 0 0 55 -2,-0.2 4,-1.1 1,-0.1 3,-0.1 -0.550 33.3-112.9 -79.4 161.3 -27.1 22.6 27.4 349 349 A T H > S+ 0 0 59 1,-0.2 4,-2.4 2,-0.2 3,-0.3 0.858 119.9 62.3 -65.6 -34.8 -30.3 20.7 26.8 350 350 A G H > S+ 0 0 10 1,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.940 107.2 46.6 -50.5 -42.5 -31.2 23.3 24.2 351 351 A N H > S+ 0 0 53 2,-0.2 4,-1.7 1,-0.2 -1,-0.3 0.706 106.0 55.1 -78.5 -25.1 -28.1 22.1 22.5 352 352 A L H X S+ 0 0 1 -4,-1.1 4,-3.0 -3,-0.3 -1,-0.2 0.902 107.4 51.1 -69.0 -45.7 -28.8 18.4 22.8 353 353 A V H X S+ 0 0 0 -4,-2.4 4,-3.3 1,-0.2 5,-0.2 0.943 109.0 53.4 -53.4 -49.5 -32.1 18.8 21.1 354 354 A E H X S+ 0 0 12 -4,-1.8 4,-2.6 -5,-0.2 -1,-0.2 0.904 112.7 40.9 -53.6 -50.9 -30.3 20.7 18.3 355 355 A W H X S+ 0 0 28 -4,-1.7 4,-2.3 2,-0.2 -1,-0.2 0.894 114.3 53.2 -67.7 -40.9 -27.7 17.9 17.7 356 356 A F H X S+ 0 0 6 -4,-3.0 4,-2.3 2,-0.2 -2,-0.2 0.972 112.5 44.8 -52.1 -56.3 -30.4 15.3 18.0 357 357 A L H X S+ 0 0 0 -4,-3.3 4,-3.6 1,-0.2 -2,-0.2 0.884 108.6 57.3 -57.1 -43.8 -32.5 17.1 15.4 358 358 A L H X S+ 0 0 5 -4,-2.6 4,-1.5 -5,-0.2 -1,-0.2 0.905 109.9 44.9 -57.4 -42.7 -29.5 17.7 13.1 359 359 A R H X S+ 0 0 8 -4,-2.3 4,-2.5 -22,-0.2 -1,-0.2 0.941 116.3 43.9 -63.3 -48.9 -28.9 13.9 13.0 360 360 A K H X S+ 0 0 52 -4,-2.3 4,-1.6 1,-0.2 -2,-0.2 0.889 106.4 61.7 -70.5 -37.3 -32.5 13.0 12.4 361 361 A A H <>S+ 0 0 0 -4,-3.6 5,-2.6 -5,-0.2 3,-0.4 0.916 108.8 43.9 -46.7 -49.0 -32.8 15.8 9.9 362 362 A Y H ><5S+ 0 0 84 -4,-1.5 3,-3.1 1,-0.2 -2,-0.2 0.958 105.9 59.4 -64.2 -53.2 -30.1 13.9 7.9 363 363 A E H 3<5S+ 0 0 116 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.790 113.7 40.8 -42.0 -31.1 -31.7 10.5 8.4 364 364 A R T 3<5S- 0 0 86 -4,-1.6 -1,-0.3 -3,-0.4 -2,-0.2 0.093 114.4-113.0-113.5 18.3 -34.8 11.9 6.7 365 365 A N T < 5 + 0 0 67 -3,-3.1 -291,-1.3 1,-0.2 2,-0.6 0.934 65.4 154.1 51.8 52.0 -33.0 13.9 3.9 366 366 A E E < -g 74 0B 9 -5,-2.6 -1,-0.2 -293,-0.2 -291,-0.2 -0.945 43.7-131.5-124.2 110.8 -34.2 17.1 5.5 367 367 A L E -g 75 0B 0 -293,-2.5 -291,-0.5 -2,-0.6 -294,-0.0 -0.415 27.5-124.5 -62.7 133.1 -32.3 20.3 5.1 368 368 A A - 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0 0 55 -5,-1.8 -1,-0.3 -8,-0.1 2,-0.2 -0.485 41.9-145.8 -76.7 140.9 -45.5 39.5 59.9 751 751 A R >> - 0 0 53 -2,-0.2 3,-0.8 1,-0.1 4,-0.5 -0.525 27.4-108.7 -96.1 165.3 -44.5 43.1 58.9 752 752 A K H >> S+ 0 0 25 1,-0.2 3,-3.6 2,-0.2 4,-1.4 0.989 119.2 62.8 -54.8 -57.7 -40.9 44.4 59.0 753 753 A E H 34 S+ 0 0 146 1,-0.3 -1,-0.2 2,-0.2 -3,-0.0 0.690 98.8 56.3 -32.4 -37.1 -41.8 46.6 62.0 754 754 A D H <4 S+ 0 0 72 -3,-0.8 -1,-0.3 1,-0.2 -2,-0.2 0.662 107.9 45.9 -75.2 -21.3 -42.5 43.3 64.0 755 755 A L H << S+ 0 0 2 -3,-3.6 -108,-0.3 -4,-0.5 -2,-0.2 0.705 100.6 83.2 -96.0 -25.7 -39.0 41.9 63.4 756 756 A R < 0 0 97 -4,-1.4 -108,-0.1 -109,-0.1 -109,-0.1 0.192 360.0 360.0 -65.1-173.6 -37.3 45.2 64.3 757 757 A Y 0 0 157 -110,-0.2 -1,-0.1 -109,-0.1 -2,-0.1 -0.968 360.0 360.0-139.0 360.0 -36.4 46.4 67.8