==== 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 LYASE 27-MAR-07 2PA6 . COMPND 2 MOLECULE: ENOLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: METHANOCALDOCOCCUS JANNASCHII; . AUTHOR H.YAMAMOTO,N.KUNISHIMA,RIKEN STRUCTURAL GENOMICS/PROTEOMICS . 854 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 31337.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 632 74.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 58 6.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 82 9.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.5 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 . 70 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 82 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 277 32.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 19 2.2 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 2 0 2 2 4 0 4 0 2 2 1 1 0 2 0 0 0 2 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 8 2 4 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 . 5 2 2 2 4 0 0 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 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 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 0 139 0, 0.0 3,-2.0 0, 0.0 4,-0.3 0.000 360.0 360.0 360.0 129.5 51.3 81.3 -5.5 2 2 A L G > + 0 0 154 1,-0.3 3,-1.3 2,-0.2 0, 0.0 0.760 360.0 68.0 -60.6 -25.7 55.1 81.7 -6.1 3 3 A Y G 3 S+ 0 0 183 1,-0.3 -1,-0.3 3,-0.0 0, 0.0 0.638 96.5 56.0 -71.1 -10.2 55.9 81.0 -2.5 4 4 A N G < S+ 0 0 84 -3,-2.0 -1,-0.3 2,-0.0 2,-0.2 0.512 80.2 109.5 -96.1 -6.7 54.7 77.5 -3.0 5 5 A M < + 0 0 124 -3,-1.3 2,-0.3 -4,-0.3 3,-0.1 -0.513 41.9 167.4 -69.6 134.6 57.1 76.8 -5.9 6 6 A D > - 0 0 58 -2,-0.2 3,-1.8 1,-0.1 4,-0.2 -0.819 33.6-156.3-156.9 111.1 59.8 74.4 -4.7 7 7 A E G > S+ 0 0 129 -2,-0.3 3,-2.0 1,-0.3 28,-0.4 0.741 88.4 78.4 -56.1 -26.8 62.3 72.6 -7.0 8 8 A R G 3 S+ 0 0 110 1,-0.3 28,-2.4 27,-0.2 30,-0.4 0.766 88.9 55.0 -57.1 -27.5 62.7 70.0 -4.3 9 9 A F G < S+ 0 0 14 -3,-1.8 81,-3.0 26,-0.2 -1,-0.3 0.492 79.5 116.6 -86.8 -2.3 59.4 68.4 -5.3 10 10 A E B < S-A 89 0A 66 -3,-2.0 25,-2.3 79,-0.2 2,-0.5 -0.435 76.6-111.6 -66.6 136.8 60.5 67.9 -9.0 11 11 A I E -B 34 0B 2 77,-2.0 76,-2.8 74,-0.3 23,-0.3 -0.599 35.9-179.7 -72.5 119.3 60.7 64.3 -10.0 12 12 A K E - 0 0 93 21,-2.3 2,-0.3 -2,-0.5 22,-0.2 0.844 62.6 -5.7 -88.2 -39.9 64.3 63.5 -10.6 13 13 A D E -B 33 0B 59 20,-1.8 20,-2.2 2,-0.0 2,-0.3 -0.995 51.4-165.0-156.6 155.8 64.0 59.8 -11.5 14 14 A I E -B 32 0B 1 -2,-0.3 2,-0.4 18,-0.2 18,-0.2 -0.993 10.9-177.7-142.7 135.5 61.5 57.0 -11.8 15 15 A V E -B 31 0B 50 16,-2.3 16,-3.1 -2,-0.3 2,-0.3 -0.998 5.6-165.6-140.4 134.4 62.3 53.3 -12.2 16 16 A A E +B 30 0B 5 -2,-0.4 2,-0.3 14,-0.2 14,-0.2 -0.872 10.9 175.9-117.1 151.2 60.0 50.3 -12.6 17 17 A R E -B 29 0B 19 12,-2.2 12,-2.2 -2,-0.3 2,-0.6 -0.973 32.7-108.9-149.4 161.7 60.9 46.6 -12.3 18 18 A E E +B 28 0B 27 -2,-0.3 2,-0.2 10,-0.2 10,-0.2 -0.854 44.5 159.1 -97.4 121.7 59.2 43.2 -12.4 19 19 A V E -B 27 0B 0 8,-2.4 8,-2.3 -2,-0.6 2,-0.3 -0.614 36.0-103.3-124.8-174.7 59.0 41.5 -9.0 20 20 A I E -B 26 0B 2 6,-0.3 812,-0.1 808,-0.3 2,-0.1 -0.886 23.1-136.7-119.9 153.0 56.7 38.7 -7.7 21 21 A D > - 0 0 0 4,-3.1 3,-2.4 -2,-0.3 351,-0.2 -0.272 44.7 -78.1 -93.9-175.9 53.6 38.6 -5.5 22 22 A S T 3 S+ 0 0 0 349,-3.3 802,-2.5 1,-0.3 350,-0.1 0.484 130.9 49.7 -62.8 -5.0 52.5 36.4 -2.6 23 23 A R T 3 S- 0 0 69 348,-0.2 -1,-0.3 800,-0.2 800,-0.1 0.241 121.0-103.7-116.4 10.2 51.4 33.7 -5.1 24 24 A G S < S+ 0 0 0 -3,-2.4 -2,-0.1 1,-0.3 597,-0.1 0.581 79.5 131.6 80.6 9.6 54.7 33.7 -7.1 25 25 A N - 0 0 15 1,-0.1 -4,-3.1 44,-0.0 -1,-0.3 -0.701 61.7-100.0 -96.3 148.3 53.1 35.7 -10.0 26 26 A P E +B 20 0B 0 0, 0.0 2,-0.3 0, 0.0 -6,-0.3 -0.198 45.6 165.5 -63.4 153.2 54.8 38.8 -11.5 27 27 A T E -B 19 0B 0 -8,-2.3 -8,-2.4 19,-0.1 2,-0.4 -0.965 34.6 -91.3-159.1 169.7 53.8 42.3 -10.6 28 28 A V E -B 18 0B 0 -2,-0.3 16,-2.2 -10,-0.2 2,-0.4 -0.749 28.1-175.2 -98.7 135.4 55.0 45.9 -11.0 29 29 A E E -BC 17 43B 4 -12,-2.2 -12,-2.2 -2,-0.4 2,-0.4 -0.978 9.0-166.4-122.6 136.5 57.1 47.8 -8.5 30 30 A V E -BC 16 42B 0 12,-2.8 12,-2.3 -2,-0.4 2,-0.4 -0.987 6.2-161.8-129.5 137.6 57.9 51.5 -9.1 31 31 A E E -BC 15 41B 47 -16,-3.1 -16,-2.3 -2,-0.4 2,-0.4 -0.921 9.4-176.5-113.4 140.9 60.5 53.8 -7.4 32 32 A V E -BC 14 40B 2 8,-2.9 8,-2.7 -2,-0.4 2,-0.4 -1.000 3.2-177.3-138.9 136.7 60.4 57.6 -7.5 33 33 A I E -BC 13 39B 48 -20,-2.2 -21,-2.3 -2,-0.4 -20,-1.8 -0.996 13.5-145.7-134.8 140.7 62.8 60.1 -6.1 34 34 A T E > -B 11 0B 0 4,-1.8 3,-1.9 -2,-0.4 -23,-0.2 -0.494 32.9-104.2 -97.6 171.0 62.6 63.9 -6.1 35 35 A K T 3 S+ 0 0 71 -25,-2.3 -27,-0.2 -28,-0.4 -26,-0.2 0.790 123.9 58.8 -63.9 -27.0 65.3 66.5 -6.5 36 36 A G T 3 S- 0 0 23 -28,-2.4 -1,-0.3 -26,-0.3 3,-0.1 0.289 123.6-109.3 -84.4 10.7 64.9 67.1 -2.7 37 37 A N < + 0 0 112 -3,-1.9 2,-0.6 1,-0.2 -2,-0.2 0.771 62.9 158.5 67.2 29.3 65.8 63.4 -2.3 38 38 A G - 0 0 3 -30,-0.4 -4,-1.8 2,-0.0 2,-0.4 -0.766 27.0-154.3 -84.4 121.1 62.3 62.4 -1.3 39 39 A Y E +C 33 0B 113 -2,-0.6 2,-0.4 -6,-0.2 -6,-0.2 -0.821 18.9 174.0-105.9 137.4 62.0 58.7 -1.9 40 40 A G E +C 32 0B 3 -8,-2.7 -8,-2.9 -2,-0.4 2,-0.4 -0.999 2.5 179.1-139.2 139.9 58.9 56.7 -2.6 41 41 A S E +C 31 0B 30 -2,-0.4 2,-0.3 -10,-0.2 -10,-0.2 -0.998 4.8 174.1-142.5 137.3 58.4 53.0 -3.6 42 42 A A E -C 30 0B 0 -12,-2.3 -12,-2.8 -2,-0.4 2,-0.4 -0.996 17.5-158.9-145.8 148.5 55.3 51.0 -4.3 43 43 A I E -C 29 0B 6 -2,-0.3 -14,-0.2 -14,-0.2 333,-0.2 -0.990 20.7-138.8-124.1 134.0 54.3 47.5 -5.5 44 44 A V - 0 0 0 -16,-2.2 -16,-0.1 -2,-0.4 3,-0.1 -0.691 18.2-122.0 -93.9 146.9 50.9 46.9 -6.9 45 45 A P - 0 0 10 0, 0.0 326,-0.2 0, 0.0 -17,-0.2 -0.273 41.2 -84.7 -76.7 172.4 48.9 43.7 -6.0 46 46 A S + 0 0 7 324,-2.7 324,-0.3 1,-0.1 2,-0.1 -0.474 57.5 158.4 -77.8 152.2 47.8 41.4 -8.8 47 47 A G - 0 0 27 -2,-0.1 2,-0.4 321,-0.1 -1,-0.1 -0.293 42.8 -53.1-139.2-133.3 44.5 42.2 -10.5 48 48 A A - 0 0 25 7,-0.4 9,-3.0 293,-0.2 3,-0.1 -0.969 21.7-169.9-126.1 138.9 42.8 41.4 -13.7 49 49 A S S S+ 0 0 40 -2,-0.4 2,-0.3 7,-0.3 10,-0.1 0.411 86.5 43.1-100.6 -3.5 44.1 41.8 -17.2 50 50 A T S S+ 0 0 118 5,-0.1 2,-0.2 8,-0.1 -1,-0.2 -0.995 72.9 123.5-143.3 133.8 40.6 41.1 -18.6 51 51 A G - 0 0 30 -2,-0.3 5,-0.1 -3,-0.1 -3,-0.0 -0.872 56.1-115.3 175.9 153.6 37.3 42.3 -17.3 52 52 A T S S+ 0 0 119 -2,-0.2 -1,-0.1 1,-0.1 3,-0.0 0.747 102.1 1.0 -75.8 -27.5 34.1 44.2 -18.3 53 53 A H S S+ 0 0 74 2,-0.1 -1,-0.1 55,-0.0 270,-0.1 0.605 103.7 88.8-136.4 -19.6 34.3 47.3 -16.1 54 54 A E S S- 0 0 28 1,-0.1 289,-0.2 266,-0.1 2,-0.2 -0.303 86.1 -87.4 -82.2 166.7 37.4 47.5 -14.0 55 55 A A - 0 0 8 287,-3.4 2,-0.5 263,-0.2 -7,-0.4 -0.520 51.4-129.9 -69.9 141.7 40.8 49.0 -14.9 56 56 A L - 0 0 17 52,-2.8 58,-2.7 -2,-0.2 -7,-0.3 -0.840 6.4-136.3-107.6 132.6 42.9 46.3 -16.6 57 57 A E - 0 0 8 -9,-3.0 2,-0.6 -2,-0.5 56,-0.1 -0.373 24.5-121.1 -72.0 155.9 46.4 45.2 -15.9 58 58 A L - 0 0 33 54,-0.2 2,-0.4 -2,-0.1 15,-0.3 -0.910 31.4-174.7-104.3 119.8 48.8 44.6 -18.8 59 59 A R - 0 0 24 -2,-0.6 11,-0.2 -10,-0.1 9,-0.1 -0.894 26.7-135.2-113.7 145.2 50.1 41.1 -18.9 60 60 A D - 0 0 9 9,-3.1 8,-0.2 -2,-0.4 10,-0.1 0.798 20.3-154.7 -69.2 -32.0 52.8 39.9 -21.4 61 61 A K + 0 0 136 6,-1.8 2,-0.2 8,-0.3 7,-0.1 0.895 46.3 135.5 54.8 43.3 51.1 36.6 -22.3 62 62 A E S S- 0 0 91 2,-0.4 5,-0.5 7,-0.0 -1,-0.2 -0.527 73.9 -90.5-108.4 179.3 54.4 35.1 -23.3 63 63 A K S > S+ 0 0 204 -2,-0.2 3,-1.0 3,-0.1 4,-0.2 0.912 100.2 87.0 -59.3 -45.0 55.8 31.7 -22.4 64 64 A R G > >S+ 0 0 52 1,-0.2 3,-1.6 2,-0.2 5,-0.7 -0.213 98.2 7.8 -61.5 144.7 57.5 32.9 -19.2 65 65 A F G > 5S- 0 0 13 1,-0.3 3,-1.7 2,-0.2 -1,-0.2 0.810 127.9 -68.3 55.1 34.1 55.6 32.9 -15.9 66 66 A G G < 5S- 0 0 66 -3,-1.0 -1,-0.3 1,-0.3 -2,-0.2 0.818 95.4 -55.7 57.6 31.4 52.7 31.2 -17.5 67 67 A G G < 5S+ 0 0 6 -3,-1.6 -6,-1.8 -5,-0.5 -1,-0.3 0.577 118.4 109.8 78.6 11.8 52.0 34.2 -19.6 68 68 A K T < 5 + 0 0 86 -3,-1.7 -3,-0.1 -4,-0.4 -2,-0.1 0.163 38.4 132.0-106.0 18.5 51.7 36.5 -16.6 69 69 A G < - 0 0 0 -5,-0.7 -9,-3.1 -7,-0.2 -8,-0.3 -0.274 43.4-157.3 -66.7 156.3 54.9 38.5 -17.0 70 70 A V > + 0 0 0 -11,-0.2 4,-2.5 -43,-0.1 5,-0.2 -0.019 54.2 120.4-125.0 30.3 54.7 42.3 -16.6 71 71 A L H > S+ 0 0 71 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.850 76.7 53.3 -62.4 -34.5 57.8 43.3 -18.6 72 72 A M H > S+ 0 0 81 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.923 109.5 46.7 -67.1 -44.2 55.6 45.3 -21.0 73 73 A A H > S+ 0 0 0 -15,-0.3 4,-1.8 2,-0.2 -2,-0.2 0.918 113.1 50.8 -62.7 -42.0 53.9 47.3 -18.2 74 74 A V H X S+ 0 0 13 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.912 110.2 48.7 -61.6 -43.2 57.4 47.8 -16.7 75 75 A E H X>S+ 0 0 100 -4,-2.5 4,-3.1 1,-0.2 5,-0.6 0.861 106.0 58.3 -65.9 -34.9 58.7 49.1 -20.1 76 76 A N H X>S+ 0 0 28 -4,-2.3 5,-2.8 2,-0.2 4,-1.6 0.901 109.6 44.5 -61.9 -38.9 55.7 51.4 -20.3 77 77 A V H <>S+ 0 0 0 -4,-1.8 5,-2.5 3,-0.2 -2,-0.2 0.968 118.7 41.5 -68.2 -52.0 56.7 53.0 -17.1 78 78 A N H <5S+ 0 0 46 -4,-2.5 -2,-0.2 1,-0.2 -3,-0.2 0.832 131.1 22.2 -66.1 -34.7 60.4 53.3 -17.9 79 79 A S H <5S+ 0 0 56 -4,-3.1 -3,-0.2 -5,-0.2 -2,-0.2 0.708 132.1 27.3-108.3 -24.6 60.0 54.3 -21.6 80 80 A I T X>> -A 10 0A 33 -79,-0.2 3,-2.1 1,-0.2 -79,-0.2 -0.551 30.0-150.5 -67.1 109.9 56.0 68.7 -9.3 90 90 A A T 3 S+ 0 0 0 -81,-3.0 38,-0.2 -2,-0.7 -1,-0.2 0.695 92.2 67.4 -58.6 -19.0 55.4 65.5 -7.3 91 91 A R T 3 S+ 0 0 66 1,-0.2 2,-2.0 37,-0.1 -1,-0.3 0.724 78.9 83.5 -73.4 -21.0 52.8 67.4 -5.2 92 92 A M <> + 0 0 69 -3,-2.1 4,-2.4 1,-0.2 5,-0.2 -0.383 54.5 157.6 -81.8 60.5 50.5 67.7 -8.3 93 93 A Q H > + 0 0 25 -2,-2.0 4,-2.8 1,-0.2 5,-0.2 0.907 69.7 47.4 -52.0 -53.3 49.1 64.2 -7.9 94 94 A R H > S+ 0 0 134 -3,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.870 112.3 50.7 -61.1 -36.4 45.9 64.8 -9.8 95 95 A E H > S+ 0 0 98 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.904 112.6 46.0 -67.5 -41.2 47.8 66.3 -12.7 96 96 A I H X S+ 0 0 0 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.903 112.9 49.4 -68.8 -40.9 50.2 63.4 -12.9 97 97 A D H X S+ 0 0 1 -4,-2.8 4,-2.5 -5,-0.2 -2,-0.2 0.907 112.1 49.7 -64.2 -39.5 47.4 60.9 -12.7 98 98 A T H X S+ 0 0 55 -4,-2.2 4,-2.8 -5,-0.2 5,-0.3 0.885 106.3 54.8 -66.2 -39.8 45.6 62.7 -15.5 99 99 A I H X S+ 0 0 43 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.924 112.3 44.3 -59.9 -42.7 48.7 62.8 -17.7 100 100 A M H X S+ 0 0 0 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.917 112.4 51.1 -67.9 -43.5 48.9 59.0 -17.3 101 101 A I H X S+ 0 0 52 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.917 115.7 42.4 -59.3 -44.5 45.2 58.5 -17.9 102 102 A E H < S+ 0 0 139 -4,-2.8 -2,-0.2 2,-0.2 -1,-0.2 0.867 110.1 55.8 -71.9 -36.8 45.3 60.6 -21.1 103 103 A L H < S+ 0 0 49 -4,-2.4 -2,-0.2 -5,-0.3 -1,-0.2 0.911 108.8 48.8 -61.6 -42.1 48.6 59.1 -22.3 104 104 A D H < S- 0 0 2 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.959 90.8-162.2 -62.0 -51.2 47.0 55.7 -22.1 105 105 A G < + 0 0 61 -4,-2.0 -1,-0.1 1,-0.2 -3,-0.1 0.232 51.0 99.3 89.9 -15.8 43.9 56.9 -24.0 106 106 A T S > S- 0 0 40 -5,-0.2 3,-1.3 1,-0.1 -1,-0.2 -0.794 75.7-125.0-106.7 150.6 41.5 54.1 -23.1 107 107 A P T 3 S+ 0 0 132 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.854 110.2 40.9 -58.9 -38.0 38.9 54.3 -20.3 108 108 A N T 3 S- 0 0 48 -53,-0.1 -52,-2.8 -4,-0.1 6,-0.2 0.124 109.1-115.8-101.3 21.2 40.1 51.2 -18.6 109 109 A K <> + 0 0 5 -3,-1.3 4,-1.5 -54,-0.2 8,-0.2 0.779 66.1 145.5 53.1 30.9 43.9 51.8 -18.9 110 110 A S T 4 + 0 0 50 3,-0.2 -1,-0.1 1,-0.2 -5,-0.0 0.695 59.6 58.1 -72.8 -19.0 44.2 48.7 -21.1 111 111 A R T 4 S+ 0 0 131 1,-0.1 -1,-0.2 2,-0.1 -6,-0.1 0.966 122.9 16.4 -77.2 -55.6 46.9 50.1 -23.3 112 112 A L T 4 S- 0 0 1 -12,-0.1 4,-0.2 -36,-0.0 -54,-0.2 0.738 117.6-106.4 -89.6 -24.6 49.7 51.0 -20.8 113 113 A G X - 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0 0 38 -42,-0.3 3,-2.2 -2,-0.2 7,-0.1 -0.185 56.1 -98.6 -62.9 154.2 25.3 38.2 -8.4 294 294 A E T 3 S+ 0 0 87 1,-0.3 -1,-0.1 -4,-0.1 3,-0.1 0.427 119.8 41.9 -51.8 -5.4 27.3 41.1 -9.8 295 295 A E T 3 S+ 0 0 94 1,-0.1 2,-1.9 2,-0.0 3,-0.3 0.424 81.8 102.5-122.6 -1.9 24.4 42.5 -11.9 296 296 A D <> + 0 0 11 -3,-2.2 4,-2.0 1,-0.2 5,-0.2 -0.425 33.2 155.7 -84.4 67.2 21.5 42.1 -9.5 297 297 A F H > S+ 0 0 6 -2,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.889 74.4 54.0 -57.9 -40.3 21.3 45.8 -8.4 298 298 A E H > S+ 0 0 114 -3,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.922 106.8 51.3 -61.1 -44.1 17.6 45.2 -7.5 299 299 A G H > S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.901 109.0 50.7 -59.3 -42.9 18.5 42.3 -5.2 300 300 A F H X S+ 0 0 0 -4,-2.0 4,-2.1 1,-0.2 33,-0.7 0.905 109.3 51.0 -61.7 -42.0 21.1 44.4 -3.5 301 301 A A H X S+ 0 0 21 -4,-2.2 4,-2.0 31,-0.2 -1,-0.2 0.885 109.1 52.6 -62.6 -39.5 18.6 47.2 -2.9 302 302 A M H X S+ 0 0 47 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.940 113.0 40.7 -62.7 -51.1 16.1 44.7 -1.4 303 303 A I H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.833 113.1 55.9 -69.3 -30.7 18.5 43.2 1.1 304 304 A T H < S+ 0 0 25 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.882 114.7 39.3 -67.4 -37.8 19.9 46.7 1.9 305 305 A K H < S+ 0 0 190 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.899 119.0 46.3 -78.2 -41.0 16.4 47.8 2.7 306 306 A E H < S+ 0 0 85 -4,-2.8 2,-0.2 -5,-0.2 -2,-0.2 0.877 110.0 53.0 -71.4 -41.8 15.2 44.6 4.5 307 307 A L S < S- 0 0 18 -4,-2.5 4,-0.1 -5,-0.2 -30,-0.0 -0.611 72.2-140.7 -94.5 158.8 18.2 44.0 6.7 308 308 A D S S+ 0 0 164 -2,-0.2 2,-0.2 2,-0.1 -4,-0.1 -0.217 71.2 86.4-111.4 42.4 19.7 46.6 9.1 309 309 A I S S- 0 0 27 -5,-0.1 2,-0.3 -21,-0.0 -22,-0.2 -0.663 88.3 -71.3-127.4-176.8 23.4 45.8 8.5 310 310 A Q E -l 287 0D 10 -24,-2.2 -22,-2.2 -2,-0.2 2,-0.5 -0.639 38.7-164.5 -82.2 134.8 26.2 46.7 6.2 311 311 A I E -l 288 0D 0 -2,-0.3 23,-2.6 -24,-0.2 24,-0.9 -0.970 11.4-154.9-121.3 110.9 25.8 45.4 2.6 312 312 A V E -lm 289 335D 2 -24,-2.2 -22,-2.8 -2,-0.5 2,-0.7 -0.742 6.2-149.3 -94.5 131.7 29.1 45.7 0.7 313 313 A G E + m 0 336D 0 22,-2.7 24,-2.0 -2,-0.4 6,-0.2 -0.876 35.5 146.1 -97.5 118.0 29.2 45.9 -3.1 314 314 A D S >> S+ 0 0 5 -2,-0.7 4,-3.5 22,-0.2 3,-0.8 0.643 79.2 18.2-112.2 -80.7 32.4 44.3 -4.4 315 315 A D T 34 S+ 0 0 35 1,-0.2 -2,-0.1 2,-0.2 -22,-0.0 0.777 120.7 68.0 -64.9 -23.5 31.9 42.6 -7.7 316 316 A L T 34 S+ 0 0 0 1,-0.2 -1,-0.2 -4,-0.1 -3,-0.1 0.886 120.4 15.1 -62.0 -37.8 28.8 44.6 -8.1 317 317 A F T X4 S- 0 0 0 -3,-0.8 3,-2.1 20,-0.1 6,-0.3 0.703 77.5-159.1-108.1 -27.6 30.8 47.8 -8.4 318 318 A V T 3< S- 0 0 11 -4,-3.5 -263,-0.2 1,-0.3 -3,-0.1 0.855 73.5 -67.8 40.5 45.3 34.4 46.6 -9.1 319 319 A T T 3 S+ 0 0 2 18,-0.4 2,-0.6 -5,-0.4 -1,-0.3 0.818 98.0 145.4 47.2 40.4 35.5 50.0 -7.8 320 320 A N <> - 0 0 34 -3,-2.1 4,-2.4 1,-0.1 3,-0.3 -0.929 46.0-149.1-110.9 118.1 33.9 51.7 -10.8 321 321 A V H > S+ 0 0 42 -2,-0.6 4,-3.0 1,-0.2 5,-0.2 0.880 95.9 54.5 -51.5 -47.4 32.4 55.1 -10.2 322 322 A E H > S+ 0 0 148 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.915 112.5 43.3 -56.5 -44.7 29.7 54.8 -12.9 323 323 A R H > S+ 0 0 23 -3,-0.3 4,-2.2 -6,-0.3 -1,-0.2 0.877 113.4 51.8 -70.0 -36.2 28.5 51.5 -11.3 324 324 A L H X S+ 0 0 0 -4,-2.4 4,-2.6 -7,-0.2 -2,-0.2 0.913 108.4 51.8 -64.3 -42.4 28.7 53.0 -7.8 325 325 A R H X S+ 0 0 120 -4,-3.0 4,-2.2 1,-0.2 -2,-0.2 0.914 109.5 49.5 -61.1 -42.9 26.7 56.0 -8.8 326 326 A K H X S+ 0 0 96 -4,-1.9 4,-1.6 -5,-0.2 -1,-0.2 0.900 110.7 50.8 -62.6 -41.0 24.0 53.6 -10.2 327 327 A G H X>S+ 0 0 0 -4,-2.2 5,-3.1 1,-0.2 4,-0.6 0.914 108.8 50.8 -63.1 -43.1 24.0 51.7 -6.9 328 328 A I H ><5S+ 0 0 25 -4,-2.6 3,-0.8 1,-0.2 -2,-0.2 0.901 109.1 50.7 -61.0 -43.2 23.6 54.9 -4.9 329 329 A E H 3<5S+ 0 0 147 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.827 116.6 41.3 -65.1 -31.8 20.6 56.0 -7.0 330 330 A M H 3<5S- 0 0 77 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.405 109.2-121.1 -94.7 -0.7 19.0 52.6 -6.5 331 331 A K T <<5 + 0 0 158 -3,-0.8 2,-0.7 -4,-0.6 -3,-0.2 0.877 55.0 163.5 59.6 36.7 19.9 52.3 -2.8 332 332 A A < - 0 0 0 -5,-3.1 -1,-0.2 -6,-0.2 -31,-0.2 -0.818 56.9 -21.9 -91.0 115.1 21.8 49.1 -3.8 333 333 A A - 0 0 2 -2,-0.7 -21,-0.2 -33,-0.7 3,-0.1 0.078 60.9-128.8 69.9 170.3 24.2 48.2 -1.0 334 334 A N S S+ 0 0 41 -23,-2.6 28,-2.4 1,-0.2 2,-0.3 0.082 80.8 55.2-141.3 21.9 25.5 50.8 1.6 335 335 A A E -mn 312 362D 0 -24,-0.9 -22,-2.7 26,-0.3 2,-0.5 -0.983 64.9-140.5-156.8 146.0 29.2 50.2 1.3 336 336 A L E -mn 313 363D 1 26,-2.7 28,-3.1 -2,-0.3 2,-0.9 -0.923 12.3-142.0-111.1 129.7 31.9 50.1 -1.3 337 337 A L E - n 0 364D 1 -24,-2.0 2,-0.8 -2,-0.5 -18,-0.4 -0.835 27.1-148.6 -88.8 112.0 34.7 47.6 -1.3 338 338 A L E + n 0 365D 1 26,-2.6 28,-2.7 -2,-0.9 2,-0.7 -0.756 23.7 174.6 -92.6 110.1 37.6 49.7 -2.5 339 339 A K >> - 0 0 23 -2,-0.8 3,-2.2 26,-0.2 4,-0.5 -0.923 16.9-159.0-113.1 103.7 40.3 48.0 -4.5 340 340 A V H >> S+ 0 0 13 -2,-0.7 4,-2.3 26,-0.4 3,-1.1 0.822 89.7 54.9 -52.9 -36.5 42.8 50.6 -5.7 341 341 A N H 34 S+ 0 0 4 1,-0.2 -1,-0.3 2,-0.2 -293,-0.2 0.536 96.9 65.6 -79.8 -1.6 44.1 48.5 -8.6 342 342 A Q H <4 S+ 0 0 6 -3,-2.2 -287,-3.4 -288,-0.1 -1,-0.2 0.605 113.1 32.7 -88.3 -15.0 40.6 48.0 -10.0 343 343 A I H << S- 0 0 14 -3,-1.1 -2,-0.2 -4,-0.5 -3,-0.1 0.744 99.8-135.5-110.5 -40.4 40.5 51.8 -10.7 344 344 A G < + 0 0 0 -4,-2.3 2,-0.3 -289,-0.1 -223,-0.2 0.065 66.2 53.0 120.8 -30.4 44.1 52.6 -11.5 345 345 A T S > S- 0 0 0 -5,-0.1 4,-2.3 1,-0.1 5,-0.2 -0.968 70.4-124.2-137.0 159.9 45.1 55.9 -9.8 346 346 A L H > S+ 0 0 7 -2,-0.3 4,-2.7 1,-0.2 5,-0.3 0.936 112.4 55.2 -63.2 -44.4 45.1 57.4 -6.3 347 347 A S H > S+ 0 0 13 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.916 111.8 42.3 -54.6 -48.8 43.1 60.4 -7.5 348 348 A E H > S+ 0 0 53 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.902 112.7 53.7 -66.7 -42.2 40.4 58.2 -8.9 349 349 A A H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.913 111.8 44.1 -59.6 -45.6 40.4 55.8 -5.9 350 350 A V H X S+ 0 0 42 -4,-2.7 4,-2.6 2,-0.2 -1,-0.2 0.854 111.3 54.1 -69.8 -33.6 39.9 58.7 -3.5 351 351 A D H X S+ 0 0 75 -4,-1.8 4,-2.2 -5,-0.3 -2,-0.2 0.911 110.0 48.2 -64.8 -39.6 37.3 60.3 -5.7 352 352 A A H X S+ 0 0 1 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.912 111.0 50.2 -65.4 -43.0 35.4 57.0 -5.6 353 353 A A H X S+ 0 0 0 -4,-2.2 4,-3.1 1,-0.2 -2,-0.2 0.922 110.7 49.8 -61.1 -44.9 35.8 56.8 -1.8 354 354 A Q H X S+ 0 0 63 -4,-2.6 4,-3.0 2,-0.2 -1,-0.2 0.892 107.8 52.5 -62.5 -42.0 34.4 60.4 -1.4 355 355 A L H < S+ 0 0 30 -4,-2.2 4,-0.5 2,-0.2 -1,-0.2 0.926 113.7 44.9 -60.1 -43.5 31.4 59.6 -3.6 356 356 A A H ><>S+ 0 0 0 -4,-2.0 5,-2.6 2,-0.2 3,-1.6 0.977 114.7 47.4 -62.1 -56.7 30.6 56.6 -1.5 357 357 A F H ><5S+ 0 0 51 -4,-3.1 3,-1.9 1,-0.3 -2,-0.2 0.915 108.6 54.3 -50.4 -51.7 31.2 58.5 1.8 358 358 A R T 3<5S+ 0 0 195 -4,-3.0 -1,-0.3 1,-0.3 -2,-0.2 0.556 107.7 50.7 -66.3 -8.0 29.1 61.5 0.8 359 359 A N T < 5S- 0 0 82 -3,-1.6 -1,-0.3 -4,-0.5 -2,-0.2 0.053 125.8 -95.6-115.4 23.9 26.1 59.4 0.0 360 360 A G T < 5S+ 0 0 40 -3,-1.9 2,-0.3 1,-0.2 -3,-0.2 0.593 79.9 138.5 76.9 11.5 26.1 57.5 3.3 361 361 A Y < - 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