==== 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 HYDROLASE 10-APR-00 1ESI . COMPND 2 MOLECULE: DD-TRANSPEPTIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES SP.; . AUTHOR E.FONZE,P.CHARLIER . 260 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10542.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 180 69.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 49 18.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 15 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 81 31.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.8 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 0 0 1 0 1 2 2 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 2 2 2 1 0 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 3 A K 0 0 142 0, 0.0 252,-0.1 0, 0.0 20,-0.1 0.000 360.0 360.0 360.0 133.8 -3.2 1.0 33.0 2 4 A P - 0 0 22 0, 0.0 2,-0.5 0, 0.0 247,-0.0 -0.322 360.0-127.9 -70.4 155.1 -0.2 1.4 30.7 3 5 A T - 0 0 110 -2,-0.0 2,-0.3 2,-0.0 249,-0.1 -0.895 29.6-171.0-103.6 128.5 3.3 0.2 31.6 4 6 A I - 0 0 7 -2,-0.5 242,-0.1 2,-0.2 5,-0.0 -0.843 30.0-136.9-121.3 159.4 6.1 2.8 31.4 5 7 A A S S+ 0 0 47 -2,-0.3 -1,-0.1 240,-0.3 241,-0.1 0.837 76.4 97.3 -79.5 -35.0 9.8 2.6 31.6 6 8 A A S S- 0 0 0 239,-0.2 234,-0.2 1,-0.1 233,-0.2 -0.172 73.2-136.3 -56.3 146.3 10.2 5.8 33.8 7 9 A V S S+ 0 0 60 232,-0.9 2,-0.4 231,-0.9 232,-0.2 0.724 89.8 34.7 -77.1 -22.2 10.5 5.3 37.5 8 10 A G E +A 238 0A 0 230,-1.5 230,-2.7 17,-0.1 2,-0.3 -0.998 68.4 163.8-137.1 138.7 8.0 8.1 38.2 9 11 A G E +AB 237 23A 0 14,-2.8 14,-1.9 -2,-0.4 2,-0.3 -0.998 5.5 167.4-153.0 153.9 4.9 9.3 36.4 10 12 A Y E +AB 236 22A 3 226,-1.7 226,-2.3 -2,-0.3 2,-0.3 -0.960 1.4 172.8-164.9 145.9 1.8 11.4 36.7 11 13 A A E +AB 235 21A 0 10,-1.8 9,-2.8 -2,-0.3 10,-1.8 -0.985 4.0 176.8-154.4 151.4 -1.0 12.9 34.7 12 14 A M E -AB 234 19A 12 222,-2.2 222,-2.0 -2,-0.3 2,-0.7 -0.958 43.7 -92.2-150.0 164.3 -4.2 14.7 35.3 13 15 A N E > -A 233 0A 27 5,-2.4 4,-2.7 -2,-0.3 220,-0.2 -0.749 36.1-149.4 -78.9 117.7 -7.0 16.4 33.4 14 16 A N T 4 S+ 0 0 34 218,-2.9 -1,-0.2 -2,-0.7 219,-0.1 0.857 91.6 49.5 -59.9 -33.4 -5.8 20.0 33.4 15 17 A G T 4 S+ 0 0 69 217,-0.6 -1,-0.2 1,-0.1 218,-0.1 0.931 125.4 21.4 -72.6 -47.4 -9.3 21.3 33.4 16 18 A T T 4 S- 0 0 98 2,-0.1 -2,-0.2 0, 0.0 -1,-0.1 0.700 96.0-126.2 -93.9 -25.4 -10.9 19.4 36.3 17 19 A G < + 0 0 36 -4,-2.7 2,-0.2 1,-0.3 -3,-0.1 0.422 52.7 156.7 91.9 -0.7 -7.7 18.4 38.1 18 20 A T - 0 0 81 -5,-0.2 -5,-2.4 -6,-0.1 2,-0.3 -0.394 46.1-121.3 -63.6 126.8 -8.6 14.7 38.1 19 21 A T E +B 12 0A 60 -7,-0.2 -7,-0.3 -2,-0.2 3,-0.1 -0.539 34.6 173.6 -70.1 127.9 -5.6 12.4 38.5 20 22 A L E + 0 0 31 -9,-2.8 2,-0.3 1,-0.3 -8,-0.2 0.651 62.5 17.3-108.6 -26.7 -5.5 10.1 35.4 21 23 A Y E +B 11 0A 7 -10,-1.8 -10,-1.8 -20,-0.1 -1,-0.3 -0.998 59.6 178.5-150.5 148.6 -2.2 8.3 36.0 22 24 A T E +B 10 0A 68 -2,-0.3 -12,-0.2 -12,-0.2 2,-0.2 -0.991 13.0 160.8-154.9 140.9 0.2 7.6 38.8 23 25 A K E S-B 9 0A 66 -14,-1.9 -14,-2.8 -2,-0.3 4,-0.1 -0.745 90.5 -27.1-159.9 105.1 3.5 5.8 39.3 24 26 A A S > S+ 0 0 41 -2,-0.2 3,-1.7 -16,-0.2 129,-0.1 0.888 85.8 166.2 49.9 38.5 5.6 6.7 42.4 25 27 A A T 3 + 0 0 6 1,-0.3 128,-2.2 127,-0.1 129,-0.4 0.659 68.3 41.8 -59.6 -19.7 3.8 10.1 41.8 26 28 A D T 3 S+ 0 0 73 126,-0.1 2,-0.6 125,-0.1 -1,-0.3 0.157 84.4 113.4-117.6 20.1 4.9 11.4 45.2 27 29 A T < - 0 0 63 -3,-1.7 123,-0.1 -4,-0.1 2,-0.1 -0.834 68.8-120.4 -96.2 124.1 8.5 10.1 45.4 28 30 A R + 0 0 122 -2,-0.6 2,-0.3 123,-0.1 123,-0.2 -0.360 41.7 163.5 -63.7 134.4 11.1 12.9 45.3 29 31 A R E -E 150 0B 76 121,-2.6 121,-2.0 -2,-0.1 189,-0.1 -0.974 46.0 -80.4-148.8 158.4 13.6 12.8 42.5 30 32 A S E -E 149 0B 48 -2,-0.3 119,-0.2 187,-0.3 209,-0.2 -0.319 33.6-159.6 -59.2 141.1 16.1 15.1 40.8 31 33 A T > - 0 0 0 117,-1.6 3,-1.6 1,-0.2 -1,-0.1 0.735 16.9-175.3 -95.6 -27.5 14.4 17.5 38.4 32 34 A G G > - 0 0 4 116,-0.5 3,-1.6 110,-0.4 183,-0.2 -0.366 69.3 -13.6 62.6-144.8 17.3 18.5 36.3 33 35 A S G > S+ 0 0 2 181,-2.1 3,-1.6 1,-0.3 -1,-0.3 0.492 118.1 84.9 -68.9 -4.3 16.5 21.1 33.8 34 36 A T G X S+ 0 0 0 -3,-1.6 3,-1.9 1,-0.3 4,-0.4 0.701 74.2 78.9 -68.9 -14.2 12.7 20.7 34.2 35 37 A T G X> S+ 0 0 1 -3,-1.6 4,-1.5 106,-0.4 3,-1.4 0.790 73.6 76.9 -60.4 -26.8 13.3 23.1 37.1 36 38 A K H <> S+ 0 0 0 -3,-1.6 4,-2.4 105,-0.5 -1,-0.3 0.710 79.0 70.2 -59.0 -19.7 13.4 25.8 34.4 37 39 A I H <> S+ 0 0 0 -3,-1.9 4,-1.9 1,-0.2 -1,-0.3 0.928 103.2 42.5 -62.8 -42.5 9.6 25.6 34.2 38 40 A M H <> S+ 0 0 3 -3,-1.4 4,-2.7 -4,-0.4 5,-0.2 0.886 109.1 58.4 -69.4 -40.1 9.5 27.2 37.7 39 41 A T H X S+ 0 0 0 -4,-1.5 4,-1.9 1,-0.2 -2,-0.2 0.940 110.3 43.7 -52.9 -49.4 12.2 29.7 36.7 40 42 A A H X S+ 0 0 1 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.898 111.4 53.9 -63.4 -43.0 9.9 30.9 33.9 41 43 A K H X S+ 0 0 38 -4,-1.9 4,-0.5 1,-0.2 -1,-0.2 0.883 108.1 49.3 -60.9 -41.6 6.9 30.9 36.1 42 44 A V H >X S+ 0 0 6 -4,-2.7 3,-0.9 2,-0.2 4,-0.8 0.929 111.8 48.6 -65.0 -44.4 8.5 33.1 38.7 43 45 A V H >< S+ 0 0 0 -4,-1.9 3,-1.4 1,-0.3 -2,-0.2 0.949 110.3 50.7 -59.8 -49.5 9.7 35.6 36.0 44 46 A L H 3< S+ 0 0 19 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.572 106.1 58.3 -67.1 -8.4 6.2 35.8 34.4 45 47 A A H << S+ 0 0 70 -3,-0.9 -1,-0.3 -4,-0.5 -2,-0.2 0.631 76.4 114.6 -95.1 -16.9 4.8 36.5 37.9 46 48 A Q X< - 0 0 36 -3,-1.4 3,-1.1 -4,-0.8 -3,-0.0 -0.322 59.8-148.9 -58.3 131.0 6.8 39.6 38.5 47 49 A S T 3 S+ 0 0 130 1,-0.3 -1,-0.2 3,-0.0 -3,-0.0 0.759 99.4 56.6 -71.9 -26.0 4.6 42.7 38.7 48 50 A N T 3 S+ 0 0 110 2,-0.0 2,-0.3 0, 0.0 -1,-0.3 0.011 82.1 146.6 -93.3 26.9 7.4 44.8 37.3 49 51 A L < + 0 0 49 -3,-1.1 2,-0.4 -5,-0.1 3,-0.1 -0.489 22.6 174.4 -72.0 127.6 7.6 42.5 34.3 50 52 A N > - 0 0 88 -2,-0.3 3,-2.0 1,-0.1 33,-0.4 -0.887 13.6-167.0-134.3 98.6 8.5 44.1 30.9 51 53 A L T 3 S+ 0 0 27 -2,-0.4 33,-2.2 1,-0.3 34,-0.3 0.716 89.2 54.7 -59.3 -22.5 8.9 41.4 28.3 52 54 A D T 3 S+ 0 0 100 31,-0.2 -1,-0.3 30,-0.2 2,-0.1 0.483 79.5 120.4 -91.8 -3.2 10.6 44.0 26.0 53 55 A A < - 0 0 17 -3,-2.0 30,-1.8 29,-0.1 2,-0.4 -0.360 60.8-130.6 -63.4 138.6 13.2 44.9 28.5 54 56 A K E -G 82 0C 118 28,-0.2 2,-0.4 29,-0.1 28,-0.3 -0.758 18.2-163.9 -97.4 138.3 16.8 44.3 27.3 55 57 A V E -G 81 0C 12 26,-3.0 26,-2.9 -2,-0.4 2,-0.4 -0.971 18.4-129.3-121.4 132.0 19.4 42.4 29.4 56 58 A T E -G 80 0C 59 -2,-0.4 2,-0.4 24,-0.2 24,-0.2 -0.670 26.3-120.1 -82.8 131.2 23.1 42.5 28.6 57 59 A I - 0 0 2 22,-2.8 21,-2.4 -2,-0.4 2,-0.2 -0.590 31.3-149.7 -73.8 122.9 24.7 39.1 28.4 58 60 A Q >> - 0 0 68 -2,-0.4 4,-1.1 19,-0.2 3,-0.7 -0.607 22.5-123.8 -92.7 153.3 27.4 38.9 31.1 59 61 A K H 3> S+ 0 0 123 1,-0.2 4,-2.7 -2,-0.2 5,-0.3 0.834 111.1 68.0 -62.9 -28.8 30.6 36.8 30.9 60 62 A A H 3> S+ 0 0 25 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.876 95.9 52.3 -56.9 -41.9 29.4 35.3 34.2 61 63 A Y H <> S+ 0 0 6 -3,-0.7 4,-1.4 2,-0.2 -1,-0.2 0.864 112.2 44.7 -65.3 -37.4 26.4 33.6 32.4 62 64 A S H X S+ 0 0 29 -4,-1.1 4,-1.5 2,-0.2 -2,-0.2 0.912 112.6 50.1 -73.8 -42.0 28.7 32.0 29.8 63 65 A D H X S+ 0 0 95 -4,-2.7 4,-3.0 1,-0.2 5,-0.2 0.889 105.7 61.9 -60.7 -38.9 31.3 30.9 32.3 64 66 A Y H X S+ 0 0 32 -4,-2.1 4,-1.9 -5,-0.3 -1,-0.2 0.930 102.5 45.2 -53.1 -55.6 28.5 29.4 34.3 65 67 A V H X>S+ 0 0 3 -4,-1.4 5,-2.2 2,-0.2 4,-0.6 0.866 114.9 50.1 -61.9 -34.3 27.3 26.9 31.7 66 68 A V H ><5S+ 0 0 113 -4,-1.5 3,-1.3 2,-0.2 -2,-0.2 0.975 111.3 46.9 -66.3 -53.9 30.9 25.9 31.0 67 69 A A H 3<5S+ 0 0 87 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.758 121.4 38.4 -59.7 -26.5 31.8 25.3 34.7 68 70 A N H 3<5S- 0 0 48 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.372 102.8-126.1-107.5 4.8 28.6 23.3 35.2 69 71 A N T <<5 + 0 0 152 -3,-1.3 2,-0.3 -4,-0.6 -3,-0.2 0.939 55.5 162.6 49.2 52.8 28.5 21.4 31.8 70 72 A A < - 0 0 17 -5,-2.2 -1,-0.2 -6,-0.1 -2,-0.1 -0.709 46.8 -99.9-106.7 155.0 25.0 22.7 31.2 71 73 A S - 0 0 54 -2,-0.3 25,-2.2 143,-0.1 2,-0.3 -0.345 50.3-169.3 -63.3 150.8 22.8 23.0 28.1 72 74 A Q - 0 0 62 23,-0.3 23,-0.1 24,-0.2 -10,-0.0 -0.935 39.8-135.0-144.5 166.9 22.9 26.5 26.8 73 75 A A - 0 0 0 -2,-0.3 22,-0.1 121,-0.0 17,-0.1 0.323 52.4-118.8-100.8 3.2 21.3 28.9 24.3 74 76 A H - 0 0 123 1,-0.2 2,-0.2 117,-0.0 118,-0.1 0.850 43.1-175.5 60.5 38.5 24.8 30.1 23.1 75 77 A L - 0 0 11 1,-0.1 2,-0.4 -14,-0.1 -1,-0.2 -0.462 21.8-126.8 -66.1 133.9 24.1 33.7 24.2 76 78 A I > - 0 0 61 -2,-0.2 3,-2.1 1,-0.1 -19,-0.3 -0.719 21.3-111.5 -90.0 129.6 26.9 36.0 23.2 77 79 A V T 3 S+ 0 0 43 -2,-0.4 107,-0.2 1,-0.3 -19,-0.2 -0.323 103.8 26.5 -57.8 132.2 28.6 38.2 25.9 78 80 A G T 3 S+ 0 0 14 -21,-2.4 -1,-0.3 1,-0.4 -20,-0.1 0.096 92.0 126.9 100.8 -21.8 27.9 41.8 25.3 79 81 A D < - 0 0 1 -3,-2.1 -22,-2.8 104,-0.1 2,-0.6 -0.299 57.7-133.5 -69.6 153.5 24.6 41.1 23.4 80 82 A K E -GH 56 182C 59 102,-3.2 102,-1.9 -24,-0.2 2,-0.4 -0.955 29.4-178.8-111.2 115.2 21.4 42.9 24.5 81 83 A V E -G 55 0C 1 -26,-2.9 -26,-3.0 -2,-0.6 100,-0.1 -0.951 23.9-124.0-120.3 133.7 18.6 40.3 24.7 82 84 A T E > -G 54 0C 13 -2,-0.4 4,-1.9 -28,-0.3 -28,-0.2 -0.311 26.3-114.6 -70.7 158.4 15.0 41.0 25.6 83 85 A V H > S+ 0 0 0 -30,-1.8 4,-1.6 -33,-0.4 -31,-0.2 0.881 118.0 55.6 -61.1 -37.1 13.3 39.2 28.5 84 86 A R H > S+ 0 0 82 -33,-2.2 4,-1.4 1,-0.2 3,-0.4 0.939 106.5 49.1 -61.7 -46.0 11.0 37.5 26.0 85 87 A Q H > S+ 0 0 19 -34,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.861 108.1 55.4 -60.9 -36.1 13.9 36.2 23.9 86 88 A L H X S+ 0 0 0 -4,-1.9 4,-1.8 1,-0.2 -1,-0.2 0.827 102.8 55.9 -65.7 -33.7 15.5 34.9 27.1 87 89 A L H X S+ 0 0 3 -4,-1.6 4,-2.2 -3,-0.4 -1,-0.2 0.862 109.8 45.5 -67.9 -35.0 12.3 32.9 27.9 88 90 A Y H X S+ 0 0 25 -4,-1.4 4,-2.9 2,-0.2 6,-0.3 0.917 113.2 49.2 -72.2 -43.6 12.6 31.2 24.5 89 91 A G H < S+ 0 0 0 -4,-2.4 6,-1.5 1,-0.2 -2,-0.2 0.810 113.7 48.8 -64.8 -28.9 16.3 30.5 25.0 90 92 A L H < S+ 0 0 0 -4,-1.8 -2,-0.2 4,-0.2 -1,-0.2 0.919 120.3 33.0 -75.6 -46.1 15.5 29.1 28.4 91 93 A M H < S+ 0 0 1 -4,-2.2 106,-0.3 3,-0.2 121,-0.3 0.740 117.0 48.0 -88.1 -25.4 12.6 26.8 27.3 92 94 A L S < S+ 0 0 0 -4,-2.9 105,-1.9 -5,-0.2 -3,-0.2 0.978 129.0 13.5 -83.2 -65.0 13.6 25.7 23.8 93 95 A P S S- 0 0 25 0, 0.0 -21,-0.2 0, 0.0 -2,-0.1 0.543 108.3-109.6 -86.6 -2.5 17.2 24.5 23.9 94 96 A S - 0 0 4 -6,-0.3 2,-1.0 1,-0.2 -4,-0.2 0.977 41.7-159.6 71.4 65.0 17.2 24.5 27.7 95 97 A G > - 0 0 0 -6,-1.5 4,-1.4 1,-0.2 -23,-0.3 -0.677 21.5-179.8 -83.5 104.2 19.5 27.5 28.0 96 98 A C H > S+ 0 0 0 -25,-2.2 4,-1.6 -2,-1.0 -1,-0.2 0.699 86.4 59.4 -73.6 -19.0 21.0 27.5 31.5 97 99 A D H > S+ 0 0 3 -26,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.885 105.4 48.1 -73.7 -37.5 22.8 30.7 30.5 98 100 A A H > S+ 0 0 0 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.828 107.5 57.1 -68.4 -32.1 19.4 32.3 29.9 99 101 A A H X S+ 0 0 0 -4,-1.4 4,-2.2 2,-0.2 -1,-0.2 0.917 106.5 48.3 -64.1 -43.8 18.3 31.0 33.3 100 102 A Y H X S+ 0 0 38 -4,-1.6 4,-2.6 1,-0.2 5,-0.3 0.912 109.4 53.1 -62.6 -44.2 21.2 32.8 35.0 101 103 A A H X S+ 0 0 0 -4,-1.9 4,-1.9 1,-0.2 -1,-0.2 0.895 111.3 46.1 -59.5 -41.5 20.3 36.0 33.1 102 104 A L H X S+ 0 0 0 -4,-2.0 4,-3.0 2,-0.2 -1,-0.2 0.882 113.0 48.5 -70.1 -39.5 16.7 35.9 34.3 103 105 A A H X S+ 0 0 0 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.910 113.3 47.8 -65.8 -43.0 17.6 35.1 37.9 104 106 A D H < S+ 0 0 10 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.885 116.4 45.8 -62.8 -40.9 20.1 38.0 37.9 105 107 A K H < S+ 0 0 90 -4,-1.9 -2,-0.2 -5,-0.3 -1,-0.2 0.923 122.7 30.5 -71.1 -46.8 17.5 40.2 36.4 106 108 A Y H < S+ 0 0 8 -4,-3.0 -2,-0.2 -5,-0.1 -1,-0.2 0.469 94.9 96.9 -99.4 0.7 14.5 39.4 38.6 107 109 A G S < S- 0 0 7 -4,-1.7 2,-0.4 -5,-0.2 8,-0.2 -0.498 76.2-118.0 -81.3 158.3 16.1 38.5 41.9 108 110 A S + 0 0 72 7,-0.3 10,-0.3 6,-0.2 2,-0.2 -0.815 62.0 85.7 -99.4 139.7 16.3 41.3 44.5 109 111 A G S S- 0 0 44 -2,-0.4 6,-0.1 1,-0.1 -2,-0.0 -0.719 75.8-100.6 150.2 160.3 19.6 42.6 45.7 110 112 A S S S+ 0 0 117 -2,-0.2 2,-0.3 4,-0.0 -1,-0.1 0.511 102.4 40.8 -86.2 -6.1 22.5 44.9 45.2 111 113 A T S > S- 0 0 69 1,-0.1 4,-2.4 -3,-0.1 5,-0.2 -0.937 85.3-112.1-138.2 161.6 24.8 42.2 43.7 112 114 A R H > S+ 0 0 75 -2,-0.3 4,-2.6 1,-0.2 5,-0.3 0.928 117.6 50.6 -57.4 -47.9 24.5 39.3 41.3 113 115 A A H > S+ 0 0 71 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.919 112.0 46.5 -56.8 -47.6 25.1 36.8 44.1 114 116 A A H > S+ 0 0 44 1,-0.2 4,-2.0 2,-0.2 -6,-0.2 0.879 112.8 51.7 -63.9 -37.8 22.5 38.4 46.3 115 117 A R H X S+ 0 0 57 -4,-2.4 4,-2.3 2,-0.2 -7,-0.3 0.881 108.2 48.2 -69.2 -39.8 20.0 38.5 43.4 116 118 A V H X S+ 0 0 14 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.882 111.8 51.5 -68.9 -35.2 20.4 34.8 42.4 117 119 A K H X S+ 0 0 133 -4,-1.8 4,-1.4 -5,-0.3 -2,-0.2 0.924 111.0 48.3 -64.0 -43.9 19.9 33.8 46.1 118 120 A S H X S+ 0 0 32 -4,-2.0 4,-1.6 -10,-0.3 -2,-0.2 0.898 110.2 51.9 -63.0 -42.1 16.8 36.0 46.2 119 121 A F H X S+ 0 0 0 -4,-2.3 4,-1.8 1,-0.2 3,-0.2 0.923 107.3 50.4 -62.7 -45.8 15.4 34.5 43.0 120 122 A I H X S+ 0 0 10 -4,-2.3 4,-1.8 1,-0.3 -1,-0.2 0.843 107.9 56.2 -62.1 -30.3 15.9 30.9 44.2 121 123 A G H X S+ 0 0 31 -4,-1.4 4,-2.2 1,-0.2 -1,-0.3 0.877 104.7 51.3 -67.7 -37.3 14.0 32.0 47.3 122 124 A K H X S+ 0 0 51 -4,-1.6 4,-2.4 -3,-0.2 -2,-0.2 0.841 106.7 54.8 -67.4 -33.9 11.1 33.1 45.1 123 125 A M H X S+ 0 0 0 -4,-1.8 4,-1.6 2,-0.2 -1,-0.2 0.905 110.7 44.4 -66.0 -41.4 11.0 29.8 43.4 124 126 A N H X S+ 0 0 36 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.881 112.3 52.1 -71.3 -36.5 10.7 28.0 46.7 125 127 A T H X S+ 0 0 77 -4,-2.2 4,-2.9 1,-0.2 -2,-0.2 0.910 107.5 53.6 -64.0 -40.8 8.1 30.4 47.9 126 128 A A H X S+ 0 0 16 -4,-2.4 4,-0.9 2,-0.2 -1,-0.2 0.888 109.3 47.9 -60.3 -41.4 6.2 29.8 44.7 127 129 A A H ><>S+ 0 0 4 -4,-1.6 5,-2.1 2,-0.2 3,-0.8 0.938 112.5 49.0 -64.6 -47.0 6.2 26.0 45.4 128 130 A T H ><5S+ 0 0 96 -4,-2.5 3,-2.2 1,-0.3 -2,-0.2 0.922 107.8 54.3 -56.8 -47.4 5.1 26.6 48.9 129 131 A N H 3<5S+ 0 0 128 -4,-2.9 -1,-0.3 1,-0.3 -2,-0.2 0.710 103.0 57.1 -62.0 -21.8 2.3 28.9 47.8 130 132 A L T <<5S- 0 0 57 -4,-0.9 -1,-0.3 -3,-0.8 -2,-0.2 0.438 121.0-110.5 -88.0 -1.2 1.1 26.1 45.5 131 133 A G T < 5 + 0 0 44 -3,-2.2 2,-0.2 1,-0.2 -3,-0.2 0.707 63.7 157.6 80.0 21.6 0.7 23.9 48.5 132 134 A L < + 0 0 15 -5,-2.1 -1,-0.2 -6,-0.1 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-109,-0.1 0.485 108.6 74.0 81.8 2.3 18.1 22.5 38.6 143 145 A I S S+ 0 0 34 -110,-0.1 3,-0.1 -111,-0.1 -110,-0.1 0.558 72.5 86.3-118.5 -18.3 21.6 22.0 37.4 144 146 A G S S- 0 0 8 1,-0.2 2,-0.3 -74,-0.0 -5,-0.1 0.947 93.5 -70.4 -48.3 -89.8 23.4 24.5 39.7 145 147 A N S S+ 0 0 131 2,-0.1 2,-0.3 -7,-0.0 -1,-0.2 -0.933 84.8 33.3-172.8 152.0 24.2 22.9 43.1 146 148 A G S S- 0 0 66 -2,-0.3 2,-0.5 -3,-0.1 -7,-0.0 -0.768 101.0 -12.8 102.3-146.0 22.6 21.6 46.2 147 149 A A + 0 0 35 -2,-0.3 2,-0.3 2,-0.0 -9,-0.3 -0.886 59.0 163.8-102.0 123.4 19.2 19.9 46.6 148 150 A N + 0 0 18 -2,-0.5 -117,-1.6 -11,-0.2 -116,-0.5 -0.745 22.0 134.6-141.7 89.8 16.9 20.2 43.5 149 151 A Y E +EF 30 136B 54 -13,-1.5 -13,-2.4 -2,-0.3 2,-0.3 -0.879 16.8 158.1-135.9 166.2 14.0 17.7 43.6 150 152 A S E -E 29 0B 0 -121,-2.0 -121,-2.6 -2,-0.3 -15,-0.1 -0.844 33.5-110.9-162.2-168.2 10.3 17.4 43.0 151 153 A T > - 0 0 0 -2,-0.3 4,-2.9 -123,-0.2 5,-0.3 -0.922 31.8-103.7-136.7 159.9 7.9 14.6 42.2 152 154 A P H > S+ 0 0 0 0, 0.0 4,-1.4 0, 0.0 -142,-0.2 0.895 124.0 45.7 -51.8 -39.4 5.8 13.8 39.1 153 155 A R H > S+ 0 0 64 -128,-2.2 4,-1.7 2,-0.2 5,-0.2 0.944 114.1 46.2 -68.5 -49.9 2.7 15.1 40.9 154 156 A D H > S+ 0 0 8 -129,-0.4 4,-2.0 1,-0.2 3,-0.2 0.931 112.6 49.9 -58.8 -49.4 4.4 18.3 42.2 155 157 A L H X S+ 0 0 1 -4,-2.9 4,-2.5 1,-0.2 -1,-0.2 0.856 107.8 54.4 -59.3 -37.3 6.0 19.2 38.9 156 158 A T H X S+ 0 0 0 -4,-1.4 4,-2.4 -5,-0.3 -1,-0.2 0.878 107.8 49.9 -66.2 -36.2 2.7 18.7 37.0 157 159 A K H X S+ 0 0 75 -4,-1.7 4,-2.1 -3,-0.2 -1,-0.2 0.877 110.4 50.7 -69.0 -37.2 1.0 21.2 39.4 158 160 A I H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.938 112.8 45.1 -64.9 -47.0 3.8 23.7 38.8 159 161 A A H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.892 110.3 54.3 -64.4 -40.7 3.5 23.3 35.0 160 162 A S H < S+ 0 0 13 -4,-2.4 4,-0.2 1,-0.2 -1,-0.2 0.925 110.1 47.9 -59.5 -43.1 -0.3 23.6 35.2 161 163 A S H >< S+ 0 0 31 -4,-2.1 3,-1.4 1,-0.2 -2,-0.2 0.919 111.9 48.9 -62.8 -44.2 0.1 26.8 37.1 162 164 A A H >< S+ 0 0 3 -4,-2.4 3,-2.0 1,-0.3 7,-0.2 0.849 101.2 64.8 -64.4 -34.5 2.7 28.1 34.5 163 165 A M T 3< S+ 0 0 15 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.524 83.9 76.4 -67.9 -5.0 0.4 27.2 31.7 164 166 A K T < S+ 0 0 150 -3,-1.4 2,-0.5 -4,-0.2 -1,-0.3 0.650 81.1 83.3 -78.9 -14.1 -2.1 29.7 33.0 165 167 A N S <> S- 0 0 48 -3,-2.0 4,-2.4 -4,-0.2 5,-0.2 -0.796 73.2-148.2 -93.9 127.6 0.2 32.4 31.4 166 168 A S H > S+ 0 0 71 -2,-0.5 4,-2.0 1,-0.2 -1,-0.1 0.816 98.5 52.5 -64.0 -32.6 -0.3 33.1 27.7 167 169 A T H > S+ 0 0 28 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.944 109.9 49.3 -67.9 -46.0 3.3 33.9 27.1 168 170 A F H > S+ 0 0 3 -6,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.938 110.8 49.8 -56.2 -50.0 4.4 30.7 28.8 169 171 A R H X S+ 0 0 98 -4,-2.4 4,-1.2 -7,-0.2 -1,-0.2 0.904 111.9 48.7 -56.1 -44.6 1.9 28.7 26.6 170 172 A T H < S+ 0 0 61 -4,-2.0 4,-0.5 2,-0.2 3,-0.4 0.922 112.8 46.3 -62.3 -47.7 3.2 30.4 23.4 171 173 A V H >< S+ 0 0 2 -4,-2.6 3,-1.4 1,-0.2 -2,-0.2 0.947 110.3 54.0 -59.9 -50.5 6.8 29.8 24.2 172 174 A V H 3< S+ 0 0 0 -4,-2.6 -1,-0.2 1,-0.3 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