==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-OCT-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/DNA 15-JUN-12 4FLU . COMPND 2 MOLECULE: PYROCOCCUS ABYSSI B FAMILY DNA POLYMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS ABYSSI; . AUTHOR J.GOUGE,M.DELARUE . 758 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35521.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 525 69.3 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 . 116 15.3 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 . 46 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 78 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 245 32.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 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 2 1 1 3 1 3 1 1 0 0 3 1 0 2 0 0 1 0 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 . 2 0 2 7 2 2 2 0 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 3 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 -2 A H 0 0 127 0, 0.0 24,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-103.7 33.9 -55.4 28.9 2 -1 A A + 0 0 85 2,-0.1 22,-0.0 0, 0.0 0, 0.0 0.583 360.0 102.4-118.6 -15.9 33.5 -53.5 32.1 3 0 A G S S- 0 0 21 1,-0.1 2,-0.4 22,-0.1 22,-0.2 -0.070 74.8 -99.3 -69.1 168.9 34.0 -49.8 31.3 4 1 A M E -A 24 0A 9 20,-2.3 20,-2.1 128,-0.1 2,-0.5 -0.777 35.9-129.9 -88.3 124.9 31.5 -46.8 30.8 5 2 A I E +A 23 0A 11 125,-0.5 127,-2.8 -2,-0.4 18,-0.2 -0.680 32.0 170.3 -80.3 126.7 30.8 -46.1 27.1 6 3 A I E - 0 0 1 16,-2.6 339,-0.4 -2,-0.5 338,-0.4 0.652 62.9 -14.5-109.6 -22.1 31.3 -42.4 26.3 7 4 A D E -A 22 0A 17 15,-1.2 15,-2.9 336,-0.1 -1,-0.4 -0.983 50.3-152.7-171.3 166.6 31.0 -42.6 22.4 8 5 A A E +A 21 0A 8 -2,-0.3 2,-0.2 13,-0.2 13,-0.2 -0.984 21.9 149.3-148.8 144.6 30.9 -44.7 19.3 9 6 A D E -A 20 0A 23 11,-2.0 11,-2.8 -2,-0.3 2,-0.3 -0.844 33.5-114.8-152.4-172.4 31.8 -44.1 15.6 10 7 A Y E -A 19 0A 67 9,-0.3 2,-0.3 -2,-0.2 9,-0.2 -0.984 15.5-164.7-138.2 150.7 33.2 -46.1 12.6 11 8 A I E -A 18 0A 52 7,-2.2 7,-2.7 -2,-0.3 2,-0.5 -0.789 22.7-124.4-121.4 161.3 36.3 -45.9 10.5 12 9 A T E +A 17 0A 70 -2,-0.3 2,-0.4 5,-0.2 80,-0.0 -0.969 27.3 179.5-114.1 128.2 36.9 -47.6 7.2 13 10 A E E > S-A 16 0A 95 3,-3.0 3,-1.3 -2,-0.5 -2,-0.0 -0.977 75.4 -9.4-136.7 116.7 39.9 -49.9 6.8 14 11 A D T 3 S- 0 0 150 -2,-0.4 -1,-0.1 1,-0.3 0, 0.0 0.850 130.7 -58.3 59.6 39.0 40.6 -51.6 3.5 15 12 A G T 3 S+ 0 0 39 1,-0.2 -1,-0.3 77,-0.0 -3,-0.0 0.389 117.7 110.1 75.6 2.6 37.2 -50.3 2.4 16 13 A K E < S-A 13 0A 103 -3,-1.3 -3,-3.0 76,-0.1 -1,-0.2 -0.844 70.7-111.7-111.2 144.3 35.4 -52.1 5.2 17 14 A P E -A 12 0A 9 0, 0.0 2,-0.4 0, 0.0 -5,-0.2 -0.453 25.9-169.8 -76.5 142.8 33.7 -50.5 8.2 18 15 A I E -A 11 0A 7 -7,-2.7 -7,-2.2 -2,-0.2 2,-0.2 -0.992 17.1-138.1-128.7 122.1 35.1 -51.0 11.8 19 16 A I E -AB 10 34A 1 15,-3.1 15,-2.2 -2,-0.4 2,-0.4 -0.596 14.5-156.9 -78.8 140.4 33.1 -49.9 14.7 20 17 A R E -AB 9 33A 11 -11,-2.8 -11,-2.0 -2,-0.2 2,-0.6 -0.997 2.9-163.0-119.1 126.1 35.0 -48.0 17.5 21 18 A I E -AB 8 32A 3 11,-2.2 11,-2.3 -2,-0.4 2,-0.5 -0.961 11.8-149.1-110.2 113.5 33.6 -48.0 21.1 22 19 A F E +AB 7 31A 4 -15,-2.9 -16,-2.6 -2,-0.6 -15,-1.2 -0.766 26.0 178.0 -87.9 121.1 35.2 -45.3 23.2 23 20 A K E -AB 5 30A 10 7,-3.1 7,-2.6 -2,-0.5 2,-0.5 -0.919 31.6-148.0-128.1 155.9 35.3 -46.4 26.9 24 21 A K E -AB 4 29A 12 -20,-2.1 -20,-2.3 -2,-0.3 2,-0.5 -0.983 21.5-178.6-120.6 113.5 36.5 -45.2 30.3 25 22 A E E > S- B 0 28A 42 3,-3.0 3,-2.0 -2,-0.5 -22,-0.1 -0.937 70.0 -33.4-122.4 106.2 37.6 -48.1 32.6 26 23 A K T 3 S- 0 0 195 -2,-0.5 -1,-0.1 1,-0.3 3,-0.1 0.911 128.0 -41.6 47.0 54.5 38.8 -47.2 36.1 27 24 A G T 3 S+ 0 0 51 1,-0.2 2,-0.4 110,-0.1 -1,-0.3 0.232 117.0 115.2 83.9 -10.6 40.3 -44.0 34.9 28 25 A E E < -B 25 0A 120 -3,-2.0 -3,-3.0 1,-0.0 2,-0.4 -0.782 63.7-129.3-100.1 137.6 41.8 -45.4 31.7 29 26 A F E +B 24 0A 59 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.645 33.7 179.2 -79.8 130.3 40.8 -44.6 28.1 30 27 A K E -B 23 0A 72 -7,-2.6 -7,-3.1 -2,-0.4 2,-0.4 -0.982 18.4-156.3-136.2 142.8 40.1 -47.8 26.1 31 28 A V E -B 22 0A 41 -2,-0.3 2,-0.4 -9,-0.2 -9,-0.2 -0.992 7.9-163.0-119.1 127.3 39.0 -48.3 22.5 32 29 A E E -B 21 0A 59 -11,-2.3 -11,-2.2 -2,-0.4 2,-0.4 -0.864 9.0-151.8-106.9 141.8 37.2 -51.5 21.4 33 30 A Y E -B 20 0A 132 -2,-0.4 2,-0.4 -13,-0.2 -13,-0.2 -0.941 10.8-172.5-114.9 140.9 37.0 -52.4 17.7 34 31 A D E +B 19 0A 28 -15,-2.2 -15,-3.1 -2,-0.4 3,-0.2 -0.944 14.1 168.6-135.4 112.7 34.3 -54.5 16.0 35 32 A R S S+ 0 0 157 -2,-0.4 -1,-0.1 -17,-0.2 -2,-0.0 0.513 70.6 71.9 -91.1 -12.6 34.8 -55.6 12.4 36 33 A T + 0 0 98 -17,-0.1 2,-0.4 2,-0.1 -1,-0.1 0.575 64.6 104.8 -86.8 -18.2 31.8 -58.0 12.4 37 34 A F - 0 0 27 -3,-0.2 86,-0.1 -20,-0.1 -18,-0.0 -0.565 57.6-153.2 -75.1 125.8 28.7 -55.7 12.5 38 35 A R - 0 0 95 -2,-0.4 53,-0.1 54,-0.0 54,-0.1 -0.866 10.9-124.0-104.5 132.7 27.0 -55.5 9.1 39 36 A P + 0 0 5 0, 0.0 51,-2.2 0, 0.0 2,-0.3 -0.249 40.2 166.5 -63.2 151.0 24.9 -52.6 7.7 40 37 A Y E -C 89 0B 10 49,-0.3 2,-0.3 74,-0.2 49,-0.2 -0.986 26.2-165.2-163.0 163.3 21.3 -53.5 6.6 41 38 A I E -C 88 0B 1 47,-1.6 47,-3.0 -2,-0.3 2,-0.3 -0.834 26.6-119.9-140.0 169.6 17.8 -52.3 5.5 42 39 A Y E -CD 87 113B 4 71,-2.1 71,-2.1 -2,-0.3 2,-0.4 -0.902 18.2-163.0-117.1 150.2 14.5 -54.1 5.2 43 40 A A E -CD 86 112B 0 43,-1.9 43,-2.6 -2,-0.3 2,-0.5 -0.997 11.3-147.5-135.1 126.7 12.3 -54.5 2.2 44 41 A L E - D 0 111B 35 67,-2.9 66,-2.8 -2,-0.4 67,-0.9 -0.847 25.2-159.2 -89.3 120.9 8.7 -55.6 2.2 45 42 A L E - D 0 109B 19 -2,-0.5 64,-0.2 39,-0.4 3,-0.1 -0.780 26.9-131.5-105.6 154.1 8.0 -57.6 -0.9 46 43 A K S S- 0 0 158 62,-2.5 2,-0.3 -2,-0.3 63,-0.1 0.776 95.6 -0.3 -66.2 -29.6 4.7 -58.4 -2.7 47 44 A D S > S- 0 0 98 61,-0.3 3,-1.2 1,-0.1 4,-0.3 -0.968 70.6-115.0-159.6 151.4 5.8 -62.1 -2.8 48 45 A D G > S+ 0 0 68 -2,-0.3 3,-1.5 1,-0.2 4,-0.3 0.812 110.5 66.3 -58.9 -36.8 8.7 -64.3 -1.6 49 46 A S G > S+ 0 0 78 1,-0.3 3,-1.2 2,-0.1 4,-0.3 0.750 87.9 70.9 -55.8 -30.0 9.7 -65.2 -5.2 50 47 A A G X> S+ 0 0 10 -3,-1.2 4,-2.1 1,-0.2 3,-1.5 0.726 76.0 79.5 -60.3 -30.1 10.6 -61.5 -5.8 51 48 A I H <> S+ 0 0 12 -3,-1.5 4,-3.1 -4,-0.3 -1,-0.2 0.792 84.3 63.3 -51.5 -32.3 13.8 -61.8 -3.6 52 49 A D H <4 S+ 0 0 86 -3,-1.2 -1,-0.3 -4,-0.3 4,-0.2 0.838 111.0 36.4 -65.9 -33.0 15.6 -63.5 -6.5 53 50 A E H <4 S+ 0 0 131 -3,-1.5 3,-0.5 -4,-0.3 -2,-0.2 0.854 119.5 50.0 -80.8 -40.8 15.2 -60.2 -8.6 54 51 A V H >< S+ 0 0 0 -4,-2.1 3,-1.8 1,-0.2 -2,-0.2 0.882 103.9 55.8 -68.3 -44.0 15.7 -57.9 -5.6 55 52 A K T 3< S+ 0 0 92 -4,-3.1 13,-0.5 1,-0.3 -1,-0.2 0.672 104.2 58.6 -64.1 -17.1 19.0 -59.5 -4.2 56 53 A K T 3 S+ 0 0 154 -3,-0.5 -1,-0.3 -5,-0.2 -2,-0.2 0.453 78.0 116.5 -93.0 -3.1 20.4 -58.9 -7.7 57 54 A I < - 0 0 21 -3,-1.8 11,-0.7 -4,-0.1 2,-0.3 -0.418 45.4-175.3 -66.3 138.3 19.9 -55.0 -7.6 58 55 A T E -G 67 0C 53 9,-0.1 2,-0.2 -2,-0.1 9,-0.2 -0.832 13.7-176.8-130.3 170.0 23.3 -53.1 -7.7 59 56 A A E -G 66 0C 4 7,-1.6 7,-3.5 -2,-0.3 2,-0.3 -0.828 25.7-106.5-151.0-179.1 24.5 -49.4 -7.4 60 57 A E E +G 65 0C 151 5,-0.3 2,-0.3 38,-0.3 5,-0.2 -0.954 35.1 156.8-125.9 146.5 27.9 -47.5 -7.6 61 58 A R E > +G 64 0C 72 3,-2.7 3,-2.1 -2,-0.3 -2,-0.1 -0.900 69.1 4.1-164.3 137.6 30.1 -45.9 -5.0 62 59 A H T 3 S- 0 0 169 1,-0.3 3,-0.1 -2,-0.3 -2,-0.0 0.839 127.4 -62.3 54.3 35.7 33.8 -45.0 -4.8 63 60 A G T 3 S+ 0 0 85 1,-0.2 -1,-0.3 0, 0.0 2,-0.3 0.376 120.4 99.9 73.0 -4.8 34.2 -46.1 -8.5 64 61 A K E < S-G 61 0C 158 -3,-2.1 -3,-2.7 1,-0.0 -1,-0.2 -0.737 79.3-104.0-109.5 158.6 33.2 -49.7 -7.5 65 62 A I E -G 60 0C 88 -2,-0.3 2,-0.5 -5,-0.2 -5,-0.3 -0.555 29.0-138.2 -82.9 147.1 29.8 -51.5 -7.8 66 63 A V E -G 59 0C 5 -7,-3.5 -7,-1.6 -2,-0.2 2,-0.3 -0.934 24.6-178.6-108.5 127.6 27.6 -51.9 -4.7 67 64 A R E -G 58 0C 159 -2,-0.5 2,-0.5 -9,-0.2 24,-0.4 -0.880 37.1-106.4-124.2 159.8 25.8 -55.3 -4.1 68 65 A I - 0 0 17 -11,-0.7 22,-0.2 -13,-0.5 3,-0.1 -0.726 33.5-163.2 -80.3 118.4 23.5 -56.8 -1.5 69 66 A T - 0 0 81 20,-2.0 2,-0.3 -2,-0.5 -1,-0.2 0.866 65.4 -1.2 -78.4 -39.7 25.9 -59.2 0.3 70 67 A E E -E 89 0B 95 19,-0.6 19,-3.3 2,-0.0 2,-0.3 -0.976 59.4-153.2-150.9 149.6 23.2 -61.4 2.0 71 68 A V E -E 88 0B 38 -2,-0.3 2,-0.3 17,-0.2 17,-0.2 -0.923 12.7-172.4-123.5 147.8 19.4 -61.5 2.3 72 69 A E E -E 87 0B 74 15,-1.6 15,-3.1 -2,-0.3 2,-0.4 -0.943 22.2-133.0-146.5 122.6 17.5 -63.0 5.2 73 70 A K E -E 86 0B 87 -2,-0.3 2,-0.3 13,-0.2 13,-0.2 -0.620 36.1-177.4 -76.6 124.7 13.7 -63.6 5.6 74 71 A V E -E 85 0B 24 11,-3.0 11,-2.0 -2,-0.4 2,-0.5 -0.942 26.0-136.9-128.8 152.8 12.6 -62.2 9.0 75 72 A Q E +E 84 0B 109 -2,-0.3 2,-0.2 9,-0.2 9,-0.2 -0.920 40.6 146.6-106.9 122.2 9.4 -62.1 11.1 76 73 A K E -E 83 0B 18 7,-2.7 7,-2.5 -2,-0.5 2,-0.4 -0.741 44.4 -98.7-138.3-172.2 8.7 -58.8 12.8 77 74 A K E -Ef 82 369B 73 291,-1.6 293,-3.1 5,-0.2 2,-0.4 -0.968 25.7-175.0-121.4 134.3 5.8 -56.6 13.8 78 75 A F E > S-E 81 0B 41 3,-2.8 3,-0.6 -2,-0.4 293,-0.1 -0.995 78.8 -14.2-128.2 121.5 4.5 -53.5 11.9 79 76 A L T 3 S- 0 0 72 -2,-0.4 -1,-0.1 291,-0.4 292,-0.0 0.917 131.0 -52.2 52.3 48.9 1.7 -51.4 13.5 80 77 A G T 3 S+ 0 0 24 1,-0.2 -1,-0.2 -3,-0.1 -3,-0.0 0.789 119.7 107.4 57.8 35.9 1.0 -54.2 16.0 81 78 A R E < S- E 0 78B 115 -3,-0.6 -3,-2.8 2,-0.0 -1,-0.2 -0.998 76.4-103.9-140.9 139.2 0.7 -56.9 13.2 82 79 A P E + E 0 77B 122 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 -0.304 44.6 178.2 -63.4 142.9 3.0 -59.7 12.1 83 80 A I E - E 0 76B 29 -7,-2.5 -7,-2.7 2,-0.0 2,-0.6 -0.988 25.4-139.6-146.8 146.2 4.9 -58.9 9.0 84 81 A E E + E 0 75B 94 -2,-0.3 -39,-0.4 -9,-0.2 2,-0.3 -0.958 31.7 166.1-110.4 117.0 7.5 -60.7 6.8 85 82 A V E - E 0 74B 0 -11,-2.0 -11,-3.0 -2,-0.6 2,-0.5 -0.845 34.9-116.5-125.2 166.0 10.3 -58.6 5.5 86 83 A W E -CE 43 73B 31 -43,-2.6 -43,-1.9 -2,-0.3 2,-0.6 -0.915 18.9-143.0-107.1 122.9 13.7 -59.3 3.9 87 84 A K E -CE 42 72B 28 -15,-3.1 -15,-1.6 -2,-0.5 2,-0.6 -0.799 18.1-158.6 -82.2 116.1 16.8 -58.1 5.7 88 85 A L E -CE 41 71B 0 -47,-3.0 -47,-1.6 -2,-0.6 2,-0.2 -0.928 5.3-151.9-104.4 115.0 19.2 -56.9 3.0 89 86 A Y E -CE 40 70B 13 -19,-3.3 -20,-2.0 -2,-0.6 -19,-0.6 -0.616 10.8-169.5 -87.1 144.1 22.8 -56.8 4.2 90 87 A L - 0 0 2 -51,-2.2 -22,-0.1 -2,-0.2 -24,-0.0 -0.848 25.7-129.6-127.7 158.5 25.4 -54.4 2.6 91 88 A E S S+ 0 0 94 -24,-0.4 -1,-0.1 -2,-0.3 -23,-0.1 0.951 89.9 25.7 -74.8 -48.0 29.2 -54.3 3.0 92 89 A H S >> S- 0 0 8 -76,-0.1 3,-2.6 -54,-0.1 4,-0.5 -0.910 73.5-125.7-118.6 143.3 29.6 -50.5 4.0 93 90 A P T >4 S+ 0 0 15 0, 0.0 3,-1.3 0, 0.0 -1,-0.1 0.840 112.4 61.2 -52.6 -36.3 27.2 -48.0 5.7 94 91 A Q T 3> S+ 0 0 101 1,-0.3 4,-1.0 2,-0.2 -3,-0.0 0.628 90.3 70.1 -70.9 -6.7 27.7 -45.6 2.7 95 92 A D H <> S+ 0 0 7 -3,-2.6 4,-2.2 2,-0.2 5,-0.3 0.816 86.8 68.4 -74.2 -30.7 26.2 -48.4 0.5 96 93 A V H X S+ 0 0 0 -4,-2.2 4,-1.1 -3,-0.3 3,-1.0 0.725 98.1 88.3-104.8 -28.0 21.4 -48.5 -3.3 100 97 A R H 3X S+ 0 0 67 -4,-2.6 4,-2.4 -5,-0.3 3,-0.5 0.801 91.6 47.6 -47.3 -42.9 18.2 -47.7 -1.1 101 98 A E H 3> S+ 0 0 105 -4,-0.5 4,-2.1 1,-0.2 -1,-0.3 0.845 108.4 55.7 -72.5 -28.4 16.3 -45.8 -3.9 102 99 A K H <4 S+ 0 0 93 -3,-1.0 4,-0.3 2,-0.2 -1,-0.2 0.696 111.5 44.3 -73.7 -19.6 17.1 -48.5 -6.4 103 100 A I H >< S+ 0 0 0 -4,-1.1 3,-1.4 -3,-0.5 6,-0.2 0.922 113.0 50.0 -86.2 -47.0 15.5 -51.1 -4.1 104 101 A R H 3< S+ 0 0 70 -4,-2.4 -2,-0.2 1,-0.3 -3,-0.2 0.824 106.4 57.1 -56.8 -37.5 12.4 -48.9 -3.3 105 102 A E T 3< S+ 0 0 142 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.689 80.9 111.1 -69.4 -23.3 11.8 -48.2 -7.1 106 103 A H S X S- 0 0 30 -3,-1.4 3,-1.7 -4,-0.3 -3,-0.0 -0.286 71.0-134.4 -59.3 132.1 11.5 -52.0 -7.8 107 104 A P T 3 S+ 0 0 117 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.686 105.9 53.2 -61.6 -21.2 7.9 -53.0 -8.8 108 105 A A T 3 S+ 0 0 17 -58,-0.1 -62,-2.5 -63,-0.1 2,-0.6 0.555 91.2 90.6 -88.7 -10.3 8.0 -56.1 -6.5 109 106 A V E < -D 45 0B 13 -3,-1.7 -64,-0.2 -64,-0.2 3,-0.1 -0.803 52.5-172.9 -94.5 118.2 9.1 -53.9 -3.4 110 107 A V E - 0 0 86 -66,-2.8 2,-0.3 -2,-0.6 -1,-0.2 0.937 68.7 -36.3 -72.0 -51.0 6.1 -52.6 -1.3 111 108 A D E -D 44 0B 51 -67,-0.9 -67,-2.9 2,-0.0 -1,-0.3 -0.951 53.9-124.5-164.4 167.7 8.3 -50.3 0.8 112 109 A I E -D 43 0B 0 -2,-0.3 2,-0.3 -69,-0.2 -69,-0.2 -0.808 25.9-161.6-118.8 155.1 11.8 -50.2 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239 A P - 0 0 6 0, 0.0 2,-0.6 0, 0.0 13,-0.2 -0.373 52.2-133.8 -57.0 138.8 38.3 -31.5 15.5 243 240 A K E -M 254 0E 107 11,-3.2 11,-2.8 -3,-0.1 2,-0.5 -0.917 8.8-148.2-111.1 118.8 35.6 -32.5 12.9 244 241 A M E -M 253 0E 84 -2,-0.6 2,-0.4 9,-0.2 9,-0.2 -0.715 16.1-169.9 -82.2 117.8 33.1 -29.9 11.8 245 242 A Q E -M 252 0E 26 7,-3.5 7,-2.2 -2,-0.5 2,-0.9 -0.950 25.9-124.0-112.1 129.0 29.7 -31.6 11.0 246 243 A R E -M 251 0E 86 -2,-0.4 2,-0.7 5,-0.2 5,-0.2 -0.682 32.1-179.1 -75.2 105.8 27.0 -29.6 9.2 247 244 A M E > -M 250 0E 80 3,-1.2 3,-1.1 -2,-0.9 2,-0.2 -0.895 60.2 -51.9-111.0 92.4 24.1 -29.9 11.6 248 245 A G T 3 S- 0 0 75 -2,-0.7 0, 0.0 1,-0.2 0, 0.0 -0.542 114.8 -23.5 80.5-138.9 21.3 -28.0 9.9 249 246 A D T 3 S+ 0 0 121 -2,-0.2 -1,-0.2 -3,-0.1 2,-0.1 0.553 137.0 47.8 -80.4 -9.7 22.0 -24.4 8.8 250 247 A S E < S-M 247 0E 64 -3,-1.1 -3,-1.2 1,-0.0 2,-0.3 -0.254 86.7 -96.2-116.9-164.9 24.8 -24.4 11.5 251 248 A L E -M 246 0E 49 -5,-0.2 2,-0.3 -2,-0.1 -5,-0.2 -0.858 15.6-164.0-122.8 159.7 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-0.790 6.1-168.6 -93.4 101.3 30.2 -30.6 25.3 262 259 A D E > -l 211 0D 0 -2,-1.0 4,-0.8 -52,-0.2 -50,-0.2 -0.844 6.8-160.8 -88.7 117.3 28.9 -27.2 23.8 263 260 A L H > S+ 0 0 0 -52,-2.7 4,-2.9 -2,-0.7 5,-0.3 0.697 75.5 79.5 -67.4 -27.1 26.8 -25.6 26.5 264 261 A F H > S+ 0 0 41 -53,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.934 99.3 35.9 -55.3 -54.0 25.0 -23.3 24.1 265 262 A P H > S+ 0 0 24 0, 0.0 4,-1.2 0, 0.0 -1,-0.2 0.898 118.4 54.5 -66.9 -34.5 22.4 -25.8 22.7 266 263 A V H >X S+ 0 0 0 -4,-0.8 4,-1.5 2,-0.2 3,-0.7 0.956 113.4 38.0 -58.0 -57.8 22.2 -27.5 26.2 267 264 A I H 3X S+ 0 0 0 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.872 107.6 64.4 -69.0 -36.8 21.3 -24.3 28.2 268 265 A R H 3< S+ 0 0 143 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.2 0.822 111.0 39.4 -52.4 -34.7 19.0 -22.9 25.4 269 266 A R H << S+ 0 0 88 -4,-1.2 -1,-0.2 -3,-0.7 -2,-0.2 0.815 115.1 51.2 -82.0 -40.1 16.7 -26.0 26.0 270 267 A T H < S+ 0 0 75 -4,-1.5 2,-0.3 -5,-0.1 -2,-0.2 0.855 113.9 26.9 -73.0 -44.0 16.9 -26.1 29.9 271 268 A I S < S- 0 0 49 -4,-2.4 2,-0.6 2,-0.0 10,-0.0 -0.818 73.0-120.4-123.4 165.4 16.1 -22.5 30.8 272 269 A N + 0 0 63 -2,-0.3 3,-0.1 336,-0.0 -3,-0.1 -0.929 42.1 151.2-108.0 117.5 14.1 -19.5 29.4 273 270 A L - 0 0 33 -2,-0.6 3,-0.2 -5,-0.2 333,-0.1 -0.983 48.7-132.1-138.0 145.9 16.1 -16.3 28.7 274 271 A P S S+ 0 0 60 0, 0.0 2,-0.4 0, 0.0 339,-0.2 0.921 101.4 18.7 -66.6 -36.0 15.4 -13.6 26.1 275 272 A T - 0 0 61 2,-0.1 2,-0.8 -3,-0.1 339,-0.0 -0.999 69.4-148.4-136.9 130.4 19.2 -13.8 25.1 276 273 A Y + 0 0 46 -2,-0.4 2,-0.2 -3,-0.2 -8,-0.1 -0.412 38.6 152.1 -98.1 59.0 21.6 -16.7 25.9 277 274 A T > - 0 0 61 -2,-0.8 4,-2.6 1,-0.1 5,-0.2 -0.556 58.7-113.7 -78.0 156.1 24.8 -14.7 26.2 278 275 A L H > S+ 0 0 12 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.909 118.7 51.2 -56.8 -40.3 27.3 -16.4 28.6 279 276 A E H > S+ 0 0 19 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.880 111.7 45.6 -66.2 -39.3 26.9 -13.5 31.0 280 277 A A H > S+ 0 0 30 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.904 116.2 47.2 -69.8 -39.1 23.1 -13.7 31.0 281 278 A V H X S+ 0 0 0 -4,-2.6 4,-1.6 2,-0.2 5,-0.2 0.926 110.2 51.0 -66.0 -50.5 23.3 -17.6 31.5 282 279 A Y H X S+ 0 0 21 -4,-3.1 4,-3.1 1,-0.2 6,-0.4 0.880 112.5 47.6 -54.9 -44.4 25.9 -17.5 34.3 283 280 A E H X S+ 0 0 100 -4,-1.6 4,-1.8 1,-0.2 -1,-0.2 0.867 108.3 53.9 -68.0 -40.7 23.7 -14.9 36.3 284 281 A A H < S+ 0 0 58 -4,-1.8 -1,-0.2 2,-0.2 -2,-0.2 0.825 120.4 32.5 -62.3 -35.3 20.5 -16.9 35.8 285 282 A I H < S+ 0 0 44 -4,-1.6 -2,-0.2 3,-0.1 -3,-0.2 0.885 132.2 26.5 -91.9 -46.8 22.2 -20.1 37.3 286 283 A F H < S- 0 0 64 -4,-3.1 -3,-0.2 -5,-0.2 -2,-0.2 0.501 93.4-128.5-102.1 -1.8 24.7 -18.8 39.9 287 284 A G S < S+ 0 0 66 -4,-1.8 2,-0.3 -5,-0.3 -4,-0.2 0.733 70.2 116.1 61.6 28.4 23.0 -15.5 40.8 288 285 A K - 0 0 124 -6,-0.4 -1,-0.2 2,-0.0 -2,-0.2 -0.975 66.1-117.0-127.7 141.4 26.2 -13.5 40.2 289 286 A S - 0 0 104 -2,-0.3 2,-0.4 -3,-0.1 -9,-0.1 -0.477 23.0-161.9 -76.5 145.0 26.9 -10.8 37.6 290 287 A K - 0 0 17 -11,-0.2 2,-0.2 -2,-0.2 -7,-0.1 -0.999 19.9-125.1-127.4 125.5 29.6 -11.3 34.9 291 288 A E - 0 0 112 -2,-0.4 2,-0.4 1,-0.0 26,-0.0 -0.517 17.5-144.3 -72.6 139.5 31.1 -8.4 33.1 292 289 A K - 0 0 77 -2,-0.2 2,-0.6 -14,-0.0 -1,-0.0 -0.895 6.4-161.6 -99.1 130.3 31.0 -8.4 29.2 293 290 A V - 0 0 0 -2,-0.4 5,-0.0 18,-0.1 -2,-0.0 -0.976 25.7-135.5-110.9 110.0 33.9 -6.9 27.3 294 291 A Y > - 0 0 134 -2,-0.6 4,-1.9 1,-0.1 3,-0.5 -0.261 18.0-106.3 -71.7 156.8 32.7 -6.3 23.8 295 292 A A H > S+ 0 0 46 1,-0.2 4,-2.7 2,-0.2 -146,-0.4 0.842 119.9 51.4 -48.9 -44.4 34.5 -7.0 20.5 296 293 A H H > S+ 0 0 136 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.879 109.2 50.0 -67.3 -35.4 35.3 -3.4 19.8 297 294 A E H > S+ 0 0 56 -3,-0.5 4,-2.1 2,-0.2 -1,-0.2 0.879 112.7 48.0 -66.5 -38.8 36.8 -2.9 23.4 298 295 A I H X S+ 0 0 6 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.942 112.9 47.3 -65.4 -51.6 38.9 -6.1 22.8 299 296 A A H X S+ 0 0 4 -4,-2.7 4,-2.6 -150,-0.2 5,-0.2 0.903 112.2 50.2 -57.0 -46.1 40.1 -4.8 19.3 300 297 A E H X S+ 0 0 50 -4,-2.5 4,-2.4 1,-0.2 6,-0.4 0.911 112.6 46.4 -60.8 -43.8 40.9 -1.3 20.7 301 298 A A H X S+ 0 0 6 -4,-2.1 4,-1.8 2,-0.2 7,-0.2 0.885 114.8 46.8 -67.6 -40.9 43.0 -2.8 23.6 302 299 A W H < S+ 0 0 6 -4,-2.5 -2,-0.2 2,-0.2 -1,-0.2 0.959 116.5 42.1 -64.8 -52.5 44.9 -5.2 21.4 303 300 A E H < S+ 0 0 108 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.837 124.2 35.8 -66.4 -39.7 45.7 -2.6 18.6 304 301 A T H < S- 0 0 105 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.724 99.0-133.2 -86.9 -24.0 46.6 0.2 21.0 305 302 A G < + 0 0 45 -4,-1.8 2,-0.4 -5,-0.3 3,-0.4 0.432 65.9 125.2 84.7 2.9 48.2 -2.0 23.6 306 303 A K + 0 0 65 -6,-0.4 -1,-0.3 1,-0.2 -2,-0.2 -0.822 69.3 8.4-102.7 130.7 46.3 -0.2 26.4 307 304 A G S >> S+ 0 0 51 -2,-0.4 4,-0.8 -3,-0.1 3,-0.6 0.742 73.8 143.3 74.3 30.4 44.0 -1.9 28.9 308 305 A L H 3> + 0 0 13 -3,-0.4 4,-2.5 -7,-0.2 5,-0.1 0.663 63.6 67.5 -70.0 -22.7 45.0 -5.5 27.9 309 306 A E H 3> S+ 0 0 105 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.869 98.9 52.2 -67.6 -34.2 44.7 -6.7 31.6 310 307 A R H <> S+ 0 0 91 -3,-0.6 4,-2.0 2,-0.2 -1,-0.2 0.884 110.9 46.4 -66.5 -42.1 40.9 -6.1 31.3 311 308 A V H X S+ 0 0 2 -4,-0.8 4,-2.4 2,-0.2 -2,-0.2 0.903 112.2 50.3 -67.2 -45.2 40.7 -8.3 28.2 312 309 A A H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.897 110.5 50.1 -60.4 -42.8 42.9 -11.0 29.7 313 310 A K H X S+ 0 0 107 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.911 110.3 50.5 -62.1 -42.7 40.6 -11.0 32.8 314 311 A Y H X S+ 0 0 8 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.919 111.5 47.5 -59.0 -47.7 37.5 -11.3 30.5 315 312 A S H X S+ 0 0 0 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.901 112.8 49.8 -59.4 -43.5 39.1 -14.3 28.7 316 313 A M H X S+ 0 0 27 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.922 111.9 46.3 -62.6 -50.0 40.0 -15.9 32.1 317 314 A E H X S+ 0 0 52 -4,-2.6 4,-2.9 2,-0.2 5,-0.3 0.853 107.5 58.7 -63.4 -37.5 36.4 -15.5 33.5 318 315 A D H X S+ 0 0 10 -4,-2.3 4,-1.6 -5,-0.2 -2,-0.2 0.937 113.1 38.1 -57.2 -49.0 35.0 -16.8 30.2 319 316 A A H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.931 115.7 54.2 -66.3 -47.5 36.9 -20.1 30.7 320 317 A K H X S+ 0 0 97 -4,-2.8 4,-1.8 1,-0.2 -2,-0.2 0.912 114.6 38.6 -52.6 -52.2 36.3 -20.2 34.5 321 318 A V H X S+ 0 0 8 -4,-2.9 4,-3.1 2,-0.2 -1,-0.2 0.797 110.8 59.9 -74.3 -26.3 32.5 -19.9 34.2 322 319 A T H X S+ 0 0 0 -4,-1.6 4,-2.5 -5,-0.3 -2,-0.2 0.935 108.5 45.8 -66.4 -39.8 32.4 -22.2 31.2 323 320 A F H X S+ 0 0 20 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.931 114.0 48.2 -61.9 -48.9 34.0 -24.9 33.5 324 321 A E H X S+ 0 0 60 -4,-1.8 4,-1.4 1,-0.2 -2,-0.2 0.899 113.6 46.6 -59.7 -45.7 31.5 -24.1 36.3 325 322 A L H X S+ 0 0 0 -4,-3.1 4,-2.4 1,-0.2 5,-0.2 0.894 109.0 55.4 -65.9 -40.4 28.5 -24.2 33.9 326 323 A G H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.877 108.1 47.8 -58.9 -44.4 29.7 -27.5 32.4 327 324 A K H < S+ 0 0 86 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.827 113.2 50.0 -65.4 -35.2 29.9 -29.2 35.8 328 325 A E H < S+ 0 0 95 -4,-1.4 4,-0.3 -5,-0.2 -2,-0.2 0.928 121.6 30.2 -67.1 -48.9 26.4 -27.9 36.6 329 326 A F H X S+ 0 0 16 -4,-2.4 4,-1.1 1,-0.2 3,-0.3 0.649 101.8 75.9 -92.6 -23.5 24.7 -29.0 33.3 330 327 A F H X S+ 0 0 11 -4,-2.6 4,-2.6 -5,-0.2 5,-0.2 0.861 85.3 62.3 -60.0 -43.3 26.6 -32.2 32.3 331 328 A P H > S+ 0 0 32 0, 0.0 4,-1.9 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509 A E H > S+ 0 0 61 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.881 109.6 51.8 -62.2 -35.5 -5.4 -38.6 16.2 512 510 A b H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.940 111.9 44.8 -64.1 -50.2 -3.2 -39.7 19.3 513 511 A A H X S+ 0 0 7 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.927 115.1 49.2 -59.3 -46.3 -2.2 -36.1 20.1 514 512 A E H X S+ 0 0 12 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.850 112.5 47.4 -57.7 -46.6 -5.9 -34.9 19.5 515 513 A S H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 5,-0.2 0.870 109.8 51.3 -66.0 -43.4 -7.3 -37.6 21.8 516 514 A V H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.868 112.6 49.0 -61.6 -38.6 -4.7 -36.9 24.6 517 515 A T H X S+ 0 0 27 -4,-1.9 4,-2.5 -5,-0.2 -2,-0.2 0.934 111.3 48.5 -64.2 -48.9 -5.7 -33.3 24.4 518 516 A A H X S+ 0 0 15 -4,-2.2 4,-0.7 1,-0.2 -2,-0.2 0.895 117.1 40.6 -62.7 -44.5 -9.4 -34.1 24.6 519 517 A W H >X S+ 0 0 15 -4,-2.6 3,-0.6 1,-0.2 4,-0.6 0.868 114.2 54.3 -70.1 -37.7 -9.0 -36.4 27.6 520 518 A G H >X S+ 0 0 0 -4,-2.3 4,-1.5 -5,-0.2 3,-1.3 0.883 98.8 63.6 -60.4 -41.6 -6.5 -34.0 29.2 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