==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRAL PROTEIN 28-APR-06 2GTH . COMPND 2 MOLECULE: REPLICASE POLYPROTEIN 1AB; . SOURCE 2 ORGANISM_SCIENTIFIC: MURINE HEPATITIS VIRUS; . AUTHOR X.XU,Y.ZHAI,F.SUN,Z.LOU,D.SU,Z.RAO . 348 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17728.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 218 62.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 21 6.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 63 18.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 7 2.0 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 . 39 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 56 16.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.7 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 0 1 2 1 2 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 6 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 0 PARALLEL BRIDGES PER LADDER . 3 3 2 2 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 ANTIPARALLEL BRIDGES PER LADDER . 1 2 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 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 0 A S 0 0 73 0, 0.0 103,-0.1 0, 0.0 56,-0.0 0.000 360.0 360.0 360.0 125.6 24.1 42.3 57.9 2 1 A S > - 0 0 47 1,-0.1 4,-2.3 4,-0.0 5,-0.2 -0.241 360.0-109.3 -78.4 168.2 20.9 40.8 56.4 3 2 A L H > S+ 0 0 40 2,-0.2 4,-3.7 1,-0.2 5,-0.3 0.968 119.7 48.9 -62.2 -53.8 17.4 40.9 57.9 4 3 A E H > S+ 0 0 53 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.842 113.2 48.5 -55.0 -35.2 17.5 37.2 58.8 5 4 A N H > S+ 0 0 25 2,-0.2 4,-2.1 17,-0.2 -1,-0.2 0.859 112.6 47.3 -75.3 -36.0 20.8 37.7 60.4 6 5 A V H X S+ 0 0 1 -4,-2.3 4,-2.5 1,-0.2 5,-0.3 0.985 112.5 48.8 -66.8 -54.1 19.7 40.7 62.3 7 6 A V H X S+ 0 0 0 -4,-3.7 4,-1.2 1,-0.2 -1,-0.2 0.774 109.5 55.7 -56.1 -23.5 16.6 38.9 63.4 8 7 A Y H X S+ 0 0 62 -4,-1.0 4,-2.1 -5,-0.3 5,-0.3 0.945 109.5 43.1 -74.1 -49.6 18.8 36.0 64.5 9 8 A N H X>S+ 0 0 0 -4,-2.1 4,-4.0 -3,-0.2 5,-2.1 0.953 109.7 56.3 -61.6 -52.2 21.0 38.1 66.8 10 9 A L H <5S+ 0 0 25 -4,-2.5 -1,-0.2 1,-0.2 4,-0.2 0.907 115.4 40.5 -44.5 -46.2 18.1 40.0 68.3 11 10 A V H <5S+ 0 0 55 -4,-1.2 -1,-0.2 -5,-0.3 -2,-0.2 0.812 128.7 26.9 -76.2 -32.6 16.7 36.6 69.3 12 11 A N H <5S+ 0 0 78 -4,-2.1 -3,-0.2 -3,-0.1 -2,-0.2 0.685 133.7 27.1-105.7 -22.7 19.8 34.8 70.4 13 12 A A T <5S- 0 0 28 -4,-4.0 -3,-0.2 -5,-0.3 -2,-0.1 0.640 97.1-121.9-111.3 -24.9 22.2 37.5 71.5 14 13 A G S -A 31 0A 75 3,-2.2 3,-2.4 -2,-0.8 2,-0.2 -0.933 61.4 -56.2-118.8 107.3 4.1 42.9 57.5 29 28 A G T 3 S- 0 0 60 -2,-0.6 23,-0.2 1,-0.3 16,-0.0 -0.427 120.7 -19.8 62.4-125.9 3.4 46.6 57.9 30 29 A E T 3 S+ 0 0 78 -2,-0.2 16,-2.9 22,-0.1 2,-0.3 0.489 120.7 102.7 -92.1 -0.3 5.3 47.8 60.9 31 30 A K E < -AB 28 45A 91 -3,-2.4 -3,-2.2 14,-0.2 2,-0.6 -0.600 54.8-162.0 -87.0 139.2 5.5 44.2 62.2 32 31 A V E -AB 27 44A 0 12,-2.0 11,-2.3 -2,-0.3 12,-1.0 -0.967 15.3-165.2-119.8 110.2 8.5 42.0 61.9 33 32 A I E -AB 26 42A 22 -7,-3.0 -7,-1.6 -2,-0.6 2,-0.5 -0.854 4.6-159.8-101.7 127.2 7.5 38.3 62.3 34 33 A A E -AB 25 41A 0 7,-3.8 7,-2.4 -2,-0.5 2,-1.0 -0.890 16.3-136.3-106.3 131.7 10.1 35.6 63.0 35 34 A K E + B 0 40A 86 -11,-2.7 2,-0.5 -2,-0.5 5,-0.2 -0.779 35.6 173.4 -86.7 109.0 9.2 32.0 62.2 36 35 A I E > - B 0 39A 49 3,-2.8 3,-1.9 -2,-1.0 -2,-0.0 -0.975 65.4 -10.9-123.3 122.5 10.5 30.2 65.3 37 36 A Q T 3 S- 0 0 177 -2,-0.5 -1,-0.2 1,-0.3 3,-0.1 0.888 126.6 -61.6 59.6 38.1 10.0 26.6 66.0 38 37 A N T 3 S+ 0 0 148 1,-0.2 2,-0.5 -3,-0.1 -1,-0.3 0.458 119.8 110.0 67.2 2.5 7.5 26.6 63.1 39 38 A E E < -B 36 0A 140 -3,-1.9 -3,-2.8 -5,-0.0 2,-0.3 -0.926 69.5-127.4-109.9 129.1 5.4 29.2 65.0 40 39 A D E +B 35 0A 95 -2,-0.5 2,-0.4 -5,-0.2 -5,-0.2 -0.590 32.1 178.3 -78.6 133.4 5.3 32.8 63.8 41 40 A V E -B 34 0A 62 -7,-2.4 -7,-3.8 -2,-0.3 2,-0.6 -0.995 30.5-125.7-139.7 140.9 6.1 35.5 66.4 42 41 A V E +B 33 0A 61 -2,-0.4 -9,-0.2 -9,-0.3 3,-0.1 -0.748 30.2 169.9 -84.1 122.2 6.4 39.3 66.3 43 42 A V E + 0 0 44 -11,-2.3 2,-0.3 -2,-0.6 -1,-0.2 0.556 65.4 22.7-107.9 -13.8 9.8 40.3 67.6 44 43 A F E -B 32 0A 18 -12,-1.0 -12,-2.0 2,-0.0 2,-0.5 -0.976 57.0-158.9-156.6 138.7 9.7 44.0 66.7 45 44 A K E -B 31 0A 117 -2,-0.3 2,-0.7 -14,-0.2 -14,-0.2 -0.986 27.0-128.6-121.9 127.1 7.0 46.6 66.0 46 45 A N + 0 0 15 -16,-2.9 6,-0.1 -2,-0.5 47,-0.1 -0.670 44.5 148.7 -86.3 110.6 8.1 49.6 64.0 47 46 A N + 0 0 96 -2,-0.7 -1,-0.1 45,-0.3 -17,-0.0 -0.062 50.3 98.5-123.3 28.6 7.4 53.1 65.4 48 47 A T S S- 0 0 18 2,-0.2 4,-0.1 45,-0.1 45,-0.1 -0.473 87.0-110.8-102.8 179.5 10.4 54.8 63.9 49 48 A P S S+ 0 0 110 0, 0.0 3,-0.1 0, 0.0 -1,-0.0 0.556 89.2 92.2 -91.3 -3.1 10.3 56.8 60.7 50 49 A F S S- 0 0 29 1,-0.1 -2,-0.2 2,-0.1 2,-0.2 -0.288 92.8 -81.2 -84.7 168.7 12.4 54.1 58.8 51 50 A P >> - 0 0 59 0, 0.0 4,-2.7 0, 0.0 3,-0.8 -0.512 48.8-113.6 -69.5 137.0 11.2 51.1 56.8 52 51 A T H 3> S+ 0 0 14 1,-0.3 4,-2.1 -23,-0.2 5,-0.2 0.828 114.0 49.8 -37.4 -57.1 10.4 48.3 59.1 53 52 A N H 3> S+ 0 0 76 1,-0.2 4,-1.0 2,-0.2 -1,-0.3 0.902 115.5 45.2 -54.7 -42.2 13.2 45.9 58.0 54 53 A V H X> S+ 0 0 5 -3,-0.8 4,-1.6 1,-0.2 3,-0.9 0.963 109.0 56.9 -64.3 -50.9 15.7 48.8 58.4 55 54 A A H 3X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.3 -2,-0.2 0.812 102.8 53.4 -49.4 -40.5 14.2 49.8 61.8 56 55 A V H 3X S+ 0 0 0 -4,-2.1 4,-2.4 -5,-0.2 -1,-0.3 0.859 106.7 53.9 -68.8 -30.3 14.7 46.4 63.4 57 56 A E H < S+ 0 0 1 -4,-1.6 3,-1.0 2,-0.2 -2,-0.2 0.983 115.0 46.5 -63.8 -54.6 19.0 49.9 64.1 59 58 A F H >< S+ 0 0 41 -4,-2.3 3,-1.5 1,-0.3 -2,-0.2 0.878 109.7 54.3 -53.3 -42.3 17.2 48.7 67.2 60 59 A A H 3< S+ 0 0 0 -4,-2.4 -44,-2.9 1,-0.3 -1,-0.3 0.820 111.6 46.0 -63.4 -29.4 19.2 45.4 67.1 61 60 A K T << S+ 0 0 45 -4,-1.4 24,-0.5 -3,-1.0 -1,-0.3 0.017 85.7 133.9-103.2 27.0 22.4 47.5 67.0 62 61 A R B < S-c 85 0B 34 -3,-1.5 2,-0.4 1,-0.1 24,-0.2 -0.359 70.4 -86.9 -73.7 156.0 21.4 49.9 69.8 63 62 A S - 0 0 15 22,-1.6 95,-0.4 1,-0.2 24,-0.2 -0.483 39.5-178.9 -64.5 118.9 23.9 50.7 72.6 64 63 A I + 0 0 74 -2,-0.4 -1,-0.2 93,-0.1 -2,-0.0 0.364 62.2 82.3 -98.8 3.6 23.4 48.1 75.3 65 64 A R S S- 0 0 58 1,-0.1 93,-0.3 92,-0.0 91,-0.0 -0.696 93.9 -88.4-103.2 159.0 26.1 49.9 77.4 66 65 A P + 0 0 23 0, 0.0 91,-0.2 0, 0.0 -1,-0.1 -0.221 51.0 166.3 -64.7 154.8 25.4 53.0 79.7 67 66 A H B -D 156 0C 4 89,-1.5 89,-2.9 -4,-0.1 3,-0.1 -0.982 43.7 -68.7-162.8 161.6 25.6 56.5 78.3 68 67 A P - 0 0 1 0, 0.0 87,-0.2 0, 0.0 5,-0.1 -0.263 66.0 -91.8 -54.4 138.4 24.7 60.1 79.1 69 68 A E >> - 0 0 13 85,-0.4 3,-1.9 1,-0.1 4,-0.7 -0.295 37.5-119.4 -55.1 135.0 20.9 60.7 79.1 70 69 A L H 3> S+ 0 0 0 1,-0.3 4,-1.8 2,-0.2 -1,-0.1 0.684 106.7 71.1 -51.0 -28.2 19.9 61.9 75.6 71 70 A K H 3> S+ 0 0 10 1,-0.2 4,-3.1 2,-0.2 -1,-0.3 0.868 98.0 53.4 -59.3 -33.7 18.5 65.3 76.7 72 71 A L H <> S+ 0 0 5 -3,-1.9 4,-0.9 2,-0.2 -1,-0.2 0.875 109.5 45.8 -66.4 -39.8 22.2 66.2 77.3 73 72 A F H <>S+ 0 0 1 -4,-0.7 5,-2.4 2,-0.2 -1,-0.2 0.725 111.8 53.9 -75.7 -20.9 23.1 65.2 73.8 74 73 A R H ><5S+ 0 0 38 -4,-1.8 3,-2.5 3,-0.2 -2,-0.2 0.951 106.4 50.4 -73.6 -50.9 20.1 67.1 72.6 75 74 A N H 3<5S+ 0 0 21 -4,-3.1 -2,-0.2 1,-0.3 -1,-0.2 0.718 110.0 51.4 -56.8 -23.5 21.2 70.2 74.5 76 75 A L T 3<5S- 0 0 29 -4,-0.9 -1,-0.3 -5,-0.1 -2,-0.2 0.383 112.0-124.6 -94.2 1.2 24.6 69.8 72.8 77 76 A N T < 5 - 0 0 105 -3,-2.5 38,-0.2 1,-0.2 2,-0.2 0.827 34.2-170.0 58.3 42.6 22.9 69.6 69.4 78 77 A I < - 0 0 14 -5,-2.4 -1,-0.2 1,-0.2 38,-0.2 -0.423 11.0-171.7 -64.5 126.3 24.4 66.3 68.3 79 78 A D - 0 0 79 36,-2.7 19,-0.5 1,-0.3 2,-0.3 0.846 64.9 -8.2 -87.9 -37.1 23.6 65.6 64.7 80 79 A V E -f 116 0D 0 35,-1.1 37,-2.3 16,-0.1 2,-0.5 -0.989 64.7-114.7-158.1 159.4 24.8 62.0 64.5 81 80 A C E > -f 117 0D 5 17,-0.5 2,-0.7 -2,-0.3 3,-0.6 -0.870 29.8-123.5-105.3 132.7 26.7 59.3 66.4 82 81 A W B 3 S-k 100 0E 35 35,-2.8 37,-0.4 -2,-0.5 19,-0.1 -0.603 82.8 -24.5 -77.8 108.0 30.0 58.0 65.2 83 82 A S T 3 S+ 0 0 37 17,-2.1 2,-0.3 -2,-0.7 -1,-0.2 0.711 126.0 64.8 67.4 19.8 30.0 54.3 64.7 84 83 A H < - 0 0 17 -3,-0.6 2,-0.4 16,-0.3 16,-0.3 -0.969 68.1-134.7-159.3 170.0 27.2 53.5 67.1 85 84 A V B -c 62 0B 7 -24,-0.5 -22,-1.6 -2,-0.3 2,-0.4 -0.997 9.7-146.2-139.5 137.7 23.5 54.2 67.5 86 85 A L - 0 0 3 -2,-0.4 9,-2.9 -24,-0.2 2,-0.5 -0.793 9.2-147.5-104.6 144.0 21.4 55.4 70.4 87 86 A W E -L 94 0F 8 -2,-0.4 2,-0.9 7,-0.2 7,-0.2 -0.924 4.5-148.4-113.2 128.7 17.9 54.3 71.2 88 87 A D E >> -L 93 0F 2 5,-3.1 4,-2.3 -2,-0.5 5,-1.7 -0.826 10.3-173.9 -96.6 104.0 15.4 56.6 72.8 89 88 A Y T 45S+ 0 0 78 -2,-0.9 -1,-0.2 2,-0.2 5,-0.1 0.669 89.6 54.1 -70.1 -15.9 13.1 54.4 74.8 90 89 A A T 45S+ 0 0 56 1,-0.1 -1,-0.2 3,-0.1 188,-0.1 0.925 116.4 36.3 -79.8 -48.3 11.1 57.5 75.6 91 90 A K T 45S- 0 0 68 2,-0.2 -2,-0.2 186,-0.1 -1,-0.1 0.732 102.7-138.5 -72.7 -20.8 10.8 58.2 71.9 92 91 A D T <5S+ 0 0 74 -4,-2.3 -45,-0.3 1,-0.3 2,-0.3 0.870 75.1 69.1 60.6 36.6 10.6 54.5 71.2 93 92 A S E > - 0 0 1 1,-0.1 4,-3.8 2,-0.0 3,-1.2 -0.881 56.3-150.7-143.2 109.4 23.6 50.8 58.7 104 103 A K T 34 S+ 0 0 191 -2,-0.4 -1,-0.1 1,-0.3 -5,-0.0 0.841 100.2 52.7 -42.7 -42.7 24.3 50.6 55.0 105 104 A Y T 34 S+ 0 0 169 1,-0.2 -1,-0.3 -3,-0.1 -51,-0.0 0.878 125.0 21.3 -68.6 -34.5 20.8 51.8 54.2 106 105 A T T <4 S+ 0 0 25 -3,-1.2 -7,-0.8 -52,-0.1 -2,-0.2 0.682 85.5 119.3-108.5 -20.7 20.9 54.9 56.4 107 106 A D B < -m 99 0G 43 -4,-3.8 -7,-0.3 -9,-0.1 -9,-0.0 -0.262 61.8-127.6 -52.7 124.0 24.6 55.8 57.0 108 107 A L - 0 0 64 -9,-2.7 -7,-0.2 1,-0.1 3,-0.1 -0.254 5.1-138.1 -65.0 157.1 25.3 59.3 55.6 109 108 A Q S S+ 0 0 201 1,-0.3 2,-0.4 -9,-0.1 -1,-0.1 0.870 87.5 28.6 -87.0 -40.8 28.3 59.8 53.2 110 109 A C + 0 0 79 1,-0.1 -1,-0.3 2,-0.0 3,-0.0 -0.981 48.2 160.8-125.8 128.7 29.6 63.1 54.7 111 110 A I + 0 0 22 -2,-0.4 3,-0.3 -3,-0.1 5,-0.1 0.082 39.5 125.7-128.1 20.0 29.3 64.2 58.3 112 111 A E S S+ 0 0 136 1,-0.3 21,-0.7 20,-0.1 22,-0.5 0.890 81.7 24.6 -45.4 -61.6 32.2 66.7 58.0 113 112 A S S S+ 0 0 66 20,-0.1 -1,-0.3 19,-0.1 66,-0.1 0.569 101.3 107.2 -86.9 -8.1 30.4 69.8 59.2 114 113 A L S S- 0 0 46 -3,-0.3 2,-1.0 1,-0.1 20,-0.6 -0.239 83.2-104.9 -66.7 161.0 27.8 68.0 61.2 115 114 A N E - g 0 134D 12 -38,-0.2 -36,-2.7 18,-0.1 -35,-1.1 -0.761 47.8-156.0 -90.8 101.6 28.1 68.0 65.0 116 115 A V E -fg 80 135D 2 18,-2.7 20,-2.8 -2,-1.0 2,-0.6 -0.566 16.1-144.8 -91.8 140.7 29.4 64.5 65.9 117 116 A L E -fg 81 136D 1 -37,-2.3 -35,-2.8 -2,-0.3 2,-0.5 -0.863 18.7-172.0 -99.6 117.7 29.2 62.4 69.0 118 117 A F E - g 0 137D 5 18,-3.2 20,-2.6 -2,-0.6 2,-0.6 -0.942 11.2-151.9-112.9 122.9 32.3 60.2 69.6 119 118 A D E > - g 0 138D 3 -2,-0.5 3,-2.8 -37,-0.4 6,-0.2 -0.836 11.0-144.8 -96.2 120.7 32.3 57.6 72.4 120 119 A G T 3 S+ 0 0 24 18,-3.1 6,-0.2 -2,-0.6 19,-0.1 0.625 97.7 68.9 -57.8 -12.1 35.7 56.9 73.8 121 120 A R T 3 S+ 0 0 79 17,-0.2 2,-0.4 2,-0.1 -1,-0.3 0.514 84.6 83.9 -84.6 -7.2 34.6 53.3 74.2 122 121 A D S X S- 0 0 29 -3,-2.8 3,-2.0 -40,-0.0 4,-0.4 -0.819 91.8-109.3 -98.9 137.4 34.6 52.9 70.5 123 122 A N T 3 S+ 0 0 163 -2,-0.4 -2,-0.1 1,-0.3 -4,-0.1 -0.419 105.1 15.0 -65.0 133.7 37.8 52.0 68.8 124 123 A G T 3> S+ 0 0 28 -2,-0.1 4,-2.1 -4,-0.1 -1,-0.3 0.275 93.0 119.1 87.9 -13.1 39.1 55.0 66.7 125 124 A A H <> S+ 0 0 0 -3,-2.0 4,-2.2 -6,-0.2 3,-0.3 0.941 73.9 42.8 -48.4 -63.4 36.6 57.3 68.5 126 125 A L H > S+ 0 0 61 -4,-0.4 4,-2.1 1,-0.2 -1,-0.2 0.826 113.0 52.1 -57.5 -36.5 39.2 59.7 70.0 127 126 A E H 4 S+ 0 0 132 1,-0.2 4,-0.3 2,-0.2 -1,-0.2 0.872 110.9 49.7 -68.9 -35.5 41.3 59.9 66.9 128 127 A A H >X S+ 0 0 25 -4,-2.1 3,-0.8 -3,-0.3 4,-0.8 0.888 110.1 50.2 -67.5 -42.1 38.2 60.7 65.0 129 128 A F H >< S+ 0 0 1 -4,-2.2 3,-1.0 1,-0.2 -2,-0.2 0.916 103.0 58.9 -62.2 -46.8 37.2 63.4 67.4 130 129 A K T 3< S+ 0 0 110 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.630 112.5 41.6 -62.1 -11.3 40.6 65.1 67.4 131 130 A K T <4 S+ 0 0 161 -3,-0.8 -1,-0.3 -4,-0.3 -2,-0.2 0.557 93.7 99.4-113.0 -9.1 40.2 65.6 63.7 132 131 A C << - 0 0 18 -3,-1.0 3,-0.2 -4,-0.8 -19,-0.1 -0.303 64.0-139.7 -78.4 161.7 36.5 66.7 63.4 133 132 A R S S+ 0 0 108 -21,-0.7 47,-1.1 1,-0.3 2,-0.5 0.951 88.0 16.0 -81.4 -61.3 35.3 70.2 63.1 134 133 A N E S+g 115 0D 27 -20,-0.6 -18,-2.7 -22,-0.5 -1,-0.3 -0.965 87.8 107.0-121.5 125.5 32.3 70.1 65.4 135 134 A G E -gH 116 177D 0 42,-1.9 42,-2.7 -2,-0.5 2,-0.4 -0.988 52.2-115.5-179.3 169.6 31.6 67.3 67.9 136 135 A V E -gH 117 176D 1 -20,-2.8 -18,-3.2 -2,-0.3 2,-0.4 -0.967 22.2-160.7-122.0 135.3 31.5 66.0 71.4 137 136 A Y E -gH 118 175D 6 38,-3.2 38,-2.3 -2,-0.4 2,-0.3 -0.959 11.1-165.6-116.4 132.7 33.8 63.3 72.8 138 137 A I E +gH 119 174D 1 -20,-2.6 -18,-3.1 -2,-0.4 2,-0.3 -0.915 10.8 173.7-123.6 151.6 32.8 61.4 75.9 139 138 A N E - H 0 173D 25 34,-1.5 34,-2.0 -2,-0.3 4,-0.1 -0.985 35.9-136.9-153.7 140.8 34.7 59.1 78.2 140 139 A T S S+ 0 0 51 -2,-0.3 2,-0.4 32,-0.2 -1,-0.0 0.574 96.2 58.7 -73.1 -8.2 33.9 57.3 81.5 141 140 A T S S- 0 0 80 32,-0.1 2,-0.6 -3,-0.0 32,-0.1 -0.963 93.1-112.4-124.7 143.1 37.4 58.4 82.6 142 141 A K - 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0 0 100 -2,-0.4 4,-2.9 1,-0.1 5,-0.3 -0.220 38.4-110.6 -55.2 151.0 1.7 71.2 104.6 226 246 A D H > S+ 0 0 52 1,-0.2 4,-3.7 2,-0.2 5,-0.3 0.951 118.2 48.5 -50.5 -55.6 2.6 74.0 102.3 227 247 A D H > S+ 0 0 96 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.930 113.9 47.2 -50.5 -51.5 2.4 76.7 104.9 228 248 A V H >> S+ 0 0 61 1,-0.2 4,-2.2 2,-0.2 3,-0.9 0.968 116.6 43.1 -53.2 -59.7 4.5 74.6 107.3 229 249 A F H 3X S+ 0 0 0 -4,-2.9 4,-1.4 1,-0.3 -2,-0.2 0.904 109.3 56.1 -54.1 -49.9 7.1 73.8 104.7 230 250 A I H 3<>S+ 0 0 19 -4,-3.7 5,-2.8 -5,-0.3 6,-0.6 0.771 110.8 48.6 -55.9 -25.7 7.2 77.4 103.3 231 251 A A H X<5S+ 0 0 52 -4,-1.3 3,-2.7 -3,-0.9 -2,-0.2 0.941 101.1 58.8 -79.4 -53.0 8.1 78.5 106.8 232 252 A K H 3<5S+ 0 0 121 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.758 118.7 33.9 -48.9 -29.3 10.8 76.0 107.6 233 253 A Y T 3<5S- 0 0 55 -4,-1.4 -1,-0.3 -16,-0.0 -2,-0.2 0.080 105.2-122.8-116.9 24.3 12.8 77.4 104.7 234 254 A S T < 5 + 0 0 78 -3,-2.7 3,-0.2 1,-0.2 -3,-0.2 0.870 58.0 151.0 34.1 54.7 11.7 81.0 104.8 235 255 A L > < + 0 0 1 -5,-2.8 3,-1.2 1,-0.2 5,-0.5 0.305 26.7 128.5 -91.2 5.9 10.4 80.7 101.2 236 256 A Q T 3 + 0 0 107 -6,-0.6 2,-1.5 1,-0.3 3,-0.5 0.789 69.5 35.2 -22.8 -80.3 8.0 83.3 102.4 237 257 A D T 3 S+ 0 0 121 -3,-0.2 -1,-0.3 1,-0.2 -2,-0.0 -0.346 94.7 89.1 -84.9 58.0 8.5 85.8 99.6 238 258 A Y S < S- 0 0 62 -2,-1.5 -1,-0.2 -3,-1.2 -2,-0.1 0.168 88.0-123.6-136.2 18.0 9.1 83.5 96.6 239 259 A A >> + 0 0 38 -3,-0.5 4,-1.4 1,-0.1 3,-0.6 0.620 57.5 151.0 48.9 14.9 5.5 82.8 95.3 240 260 A F H 3>> + 0 0 4 -5,-0.5 4,-2.1 1,-0.2 5,-1.9 0.818 62.0 67.5 -44.2 -36.5 6.2 79.1 95.8 241 261 A E H 3>>S+ 0 0 87 3,-0.2 5,-1.6 2,-0.2 4,-0.9 0.968 112.7 28.5 -47.9 -63.2 2.5 78.6 96.4 242 262 A H H <>5S+ 0 0 52 -3,-0.6 4,-1.1 3,-0.2 14,-1.1 0.996 128.2 39.5 -59.3 -72.9 1.7 79.5 92.7 243 263 A V H <5S+ 0 0 3 -4,-1.4 14,-2.0 99,-0.3 15,-0.5 0.826 130.4 19.8 -51.6 -45.4 4.9 78.4 91.0 244 264 A V H <5S+ 0 0 0 -4,-2.1 -3,-0.2 -5,-0.3 -1,-0.2 0.794 132.6 34.3-103.7 -28.6 5.8 75.1 92.8 245 265 A Y H <> S-t 303 0K 2 -15,-0.5 4,-1.3 44,-0.2 3,-0.6 -0.882 72.4-136.7-107.4 139.4 8.5 71.8 88.9 259 279 A L H >> S+ 0 0 9 44,-1.7 4,-2.2 -2,-0.4 3,-0.7 0.934 103.5 57.8 -58.3 -49.2 8.1 68.0 88.6 260 280 A I H 3> S+ 0 0 0 45,-0.3 4,-2.4 1,-0.3 -1,-0.2 0.824 102.3 58.4 -51.8 -31.4 8.3 67.4 92.4 261 281 A G H <> S+ 0 0 1 -3,-0.6 4,-1.7 1,-0.2 -1,-0.3 0.934 105.4 47.7 -64.2 -44.5 5.2 69.7 92.6 262 282 A L H < S+ 0 0 54 -4,-2.4 3,-0.7 1,-0.2 4,-0.3 0.855 110.7 48.9 -58.1 -38.9 3.0 66.0 95.5 265 285 A R H >X S+ 0 0 38 -4,-1.7 3,-3.0 1,-0.2 4,-2.3 0.971 99.0 65.4 -62.5 -54.8 -0.3 66.8 93.9 266 286 A Q H 3< S+ 0 0 66 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.649 88.9 74.3 -42.8 -19.4 -0.6 63.2 92.6 267 287 A Q T << S+ 0 0 118 -3,-0.7 -1,-0.3 -4,-0.5 -2,-0.2 0.844 117.3 9.1 -67.9 -35.8 -0.8 62.3 96.3 268 288 A K T <4 S+ 0 0 148 -3,-3.0 2,-0.4 -4,-0.3 -2,-0.2 0.546 131.4 43.2-120.5 -16.8 -4.4 63.5 96.7 269 289 A S S < S- 0 0 2 -4,-2.3 2,-0.5 22,-0.0 -1,-0.3 -0.996 81.5-116.5-135.9 137.6 -5.5 64.3 93.2 270 290 A N - 0 0 62 -2,-0.4 21,-2.6 -3,-0.1 2,-0.7 -0.601 27.6-159.4 -75.5 121.7 -5.1 62.4 90.0 271 291 A L E -U 290 0K 6 -2,-0.5 2,-0.8 19,-0.2 19,-0.2 -0.890 1.0-158.6-105.1 110.1 -3.0 64.4 87.5 272 292 A V E -U 289 0K 71 17,-1.8 17,-1.0 -2,-0.7 2,-0.4 -0.774 10.7-164.1 -91.7 113.5 -3.4 63.3 83.9 273 293 A I E -U 288 0K 55 -2,-0.8 2,-0.4 15,-0.2 15,-0.2 -0.824 7.0-171.0-100.1 134.7 -0.5 64.4 81.8 274 294 A Q E +U 287 0K 84 13,-0.7 13,-2.2 -2,-0.4 2,-0.3 -0.924 5.0 178.7-118.4 145.1 -0.5 64.4 78.0 275 295 A E - 0 0 47 -2,-0.4 3,-0.2 11,-0.2 11,-0.1 -0.832 14.1-175.5-150.9 109.0 2.6 65.0 75.9 276 296 A F S S+ 0 0 161 -2,-0.3 2,-0.7 9,-0.3 -1,-0.1 0.782 83.0 51.1 -76.0 -28.7 2.6 65.0 72.1 277 297 A V S S+ 0 0 93 8,-0.3 2,-0.6 2,-0.0 8,-0.2 -0.823 78.9 180.0-112.0 92.2 6.3 65.4 71.7 278 298 A T + 0 0 64 -2,-0.7 2,-0.3 -3,-0.2 6,-0.0 -0.834 23.7 100.1-107.2 122.3 8.0 62.8 73.9 279 299 A Y S S- 0 0 81 -2,-0.6 2,-0.4 -189,-0.1 -2,-0.0 -0.926 80.1 -57.4-175.9 164.4 11.7 62.1 74.4 280 300 A D + 0 0 25 -2,-0.3 2,-0.3 4,-0.0 -206,-0.1 -0.382 69.2 154.5 -58.5 110.6 14.3 62.9 77.0 281 301 A S - 0 0 24 -2,-0.4 -210,-0.1 1,-0.1 -209,-0.1 -0.999 51.4-127.5-141.9 140.2 14.4 66.7 77.3 282 302 A S S S+ 0 0 4 -2,-0.3 22,-0.6 -211,-0.2 2,-0.5 0.900 101.8 36.5 -50.3 -45.6 15.4 69.0 80.1 283 303 A I E S- V 0 303K 27 20,-0.1 2,-0.2 -3,-0.1 20,-0.2 -0.931 77.7-157.6-114.6 125.7 12.1 70.9 80.0 284 304 A H E - V 0 302K 37 18,-2.8 18,-1.5 -2,-0.5 2,-0.5 -0.618 7.7-149.9 -98.6 162.2 8.8 69.1 79.3 285 305 A S E + V 0 301K 48 -8,-0.2 -8,-0.3 16,-0.2 -9,-0.3 -0.918 25.7 176.8-132.1 105.1 5.6 70.5 77.9 286 306 A Y E - V 0 300K 36 14,-1.8 14,-1.7 -2,-0.5 2,-0.7 -0.576 35.9-131.0-106.2 167.9 2.6 68.7 79.2 287 307 A F E -U 274 0K 57 -13,-2.2 -13,-0.7 -2,-0.2 2,-0.3 -0.891 41.0-165.1-113.5 92.9 -1.2 69.2 78.8 288 308 A I E -UV 273 297K 0 9,-1.2 9,-2.4 -2,-0.7 2,-0.4 -0.604 17.5-179.4 -90.5 145.8 -2.2 68.9 82.4 289 309 A T E -UV 272 296K 49 -17,-1.0 -17,-1.8 -2,-0.3 2,-0.7 -0.994 20.7-139.9-138.9 128.6 -5.7 68.3 83.8 290 310 A D E > -U 271 0K 0 5,-3.6 4,-2.4 -2,-0.4 3,-0.4 -0.831 6.3-157.6 -96.4 117.9 -6.4 68.1 87.5 291 311 A E T 4 S+ 0 0 118 -21,-2.6 -1,-0.1 -2,-0.7 -20,-0.1 0.812 87.8 46.1 -61.1 -36.1 -9.0 65.4 88.3 292 312 A N T 4 S+ 0 0 93 -22,-0.2 -1,-0.2 1,-0.1 -21,-0.1 0.742 125.7 26.2 -83.6 -22.0 -10.2 66.8 91.6 293 313 A S T 4 S- 0 0 52 -3,-0.4 -2,-0.2 2,-0.2 -1,-0.1 0.599 92.2-127.7-115.5 -13.9 -10.6 70.5 90.6 294 314 A G < + 0 0 54 -4,-2.4 2,-0.1 1,-0.3 -3,-0.1 0.617 62.7 141.1 75.6 10.8 -11.3 70.3 86.9 295 315 A S + 0 0 0 -5,-0.4 -5,-3.6 -47,-0.1 2,-0.3 -0.495 23.1 160.9 -82.1 157.1 -8.5 72.8 86.4 296 316 A S E -sV 252 289K 39 -45,-2.3 -43,-1.3 -7,-0.2 2,-0.3 -0.991 29.5-148.4-167.3 171.9 -6.1 72.5 83.5 297 317 A K E - 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0 0 20 -4,-0.5 2,-1.1 -3,-0.4 -3,-0.0 -0.666 67.6-156.6 -77.8 122.4 17.3 86.2 91.9 318 338 A N - 0 0 133 -2,-0.5 2,-1.1 2,-0.0 -1,-0.1 -0.465 19.8-165.5 -95.2 59.0 17.1 89.8 93.2 319 339 A L + 0 0 41 -2,-1.1 3,-0.1 -5,-0.3 -2,-0.1 -0.267 49.5 117.8 -50.8 89.1 13.5 89.8 92.1 320 340 A K + 0 0 182 -2,-1.1 2,-0.4 2,-0.0 -1,-0.2 -0.065 56.6 86.6-144.2 22.6 12.9 93.6 92.3 321 341 A C S S- 0 0 62 1,-0.2 3,-0.6 18,-0.1 -1,-0.0 -0.998 71.6-135.1-133.6 132.8 12.3 93.9 88.6 322 342 A V S S+ 0 0 104 -2,-0.4 2,-1.4 1,-0.2 -1,-0.2 0.902 88.3 7.3 -47.9-105.2 9.0 93.5 86.7 323 343 A S S S+ 0 0 63 17,-0.2 2,-0.4 18,-0.1 -1,-0.2 -0.575 80.7 163.1 -88.9 78.3 9.4 91.5 83.5 324 344 A K E - P 0 339I 62 15,-1.8 15,-1.8 -2,-1.4 2,-0.8 -0.783 30.8-145.2 -97.9 135.6 13.0 90.2 83.7 325 345 A V E - P 0 338I 77 -2,-0.4 2,-0.3 13,-0.2 13,-0.2 -0.842 21.1-163.5-103.9 99.5 14.1 87.3 81.5 326 346 A V E - P 0 337I 24 11,-1.6 11,-3.8 -2,-0.8 2,-0.5 -0.592 10.5-139.6 -86.7 140.9 16.6 85.2 83.5 327 347 A N E - P 0 336I 55 -2,-0.3 2,-0.5 9,-0.3 9,-0.3 -0.848 17.3-172.5-100.3 131.3 18.9 82.7 81.9 328 348 A V E - 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