==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 10-DEC-01 1KKO . COMPND 2 MOLECULE: 3-METHYLASPARTATE AMMONIA-LYASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CITROBACTER AMALONATICUS; . AUTHOR C.W.LEVY,P.A.BUCKLEY,S.SEDELNIKOVA,Y.KATO,Y.ASANO,D.W.RICE, . 822 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27791.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 585 71.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 60 7.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 61 7.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 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 . 49 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 81 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 281 34.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 27 3.3 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 3 0 1 3 5 2 2 1 1 2 0 0 2 3 3 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 6 2 6 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 3 1 0 0 2 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 4 2 0 0 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 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 X 0 0 55 0, 0.0 105,-3.0 0, 0.0 106,-0.4 0.000 360.0 360.0 360.0 135.5 -58.5 -140.9 -84.6 2 2 A K B -A 105 0A 81 103,-0.3 58,-2.0 104,-0.1 2,-0.5 -0.694 360.0-109.7-101.3 157.3 -59.2 -143.7 -82.1 3 3 A I E -B 59 0B 2 101,-2.1 100,-3.1 98,-0.4 56,-0.3 -0.738 28.3-171.0 -76.1 127.0 -57.3 -146.3 -80.1 4 4 A K E + 0 0 108 54,-3.0 2,-0.3 -2,-0.5 55,-0.2 0.851 67.1 7.1 -85.7 -45.1 -58.2 -149.7 -81.6 5 5 A Q E -B 58 0B 55 53,-1.8 53,-2.8 97,-0.1 2,-0.4 -0.999 59.0-154.6-144.7 142.0 -56.5 -151.9 -79.1 6 6 A A E -B 57 0B 0 -2,-0.3 2,-0.4 51,-0.2 51,-0.2 -0.973 15.2-170.8-118.4 133.3 -54.8 -151.4 -75.7 7 7 A L E -B 56 0B 22 49,-2.7 49,-2.5 -2,-0.4 2,-0.4 -0.965 8.8-162.0-127.3 141.1 -52.2 -153.9 -74.4 8 8 A F E -B 55 0B 17 -2,-0.4 2,-0.4 47,-0.2 47,-0.2 -0.990 12.3-178.9-123.0 125.3 -50.5 -154.2 -71.0 9 9 A T E -B 54 0B 17 45,-2.1 45,-3.1 -2,-0.4 807,-0.1 -0.989 24.3-125.5-132.0 131.4 -47.3 -156.2 -70.6 10 10 A A E +B 53 0B 46 -2,-0.4 2,-0.3 43,-0.2 43,-0.2 -0.370 41.4 154.6 -67.4 145.2 -45.3 -156.9 -67.5 11 11 A G E -B 52 0B 4 41,-2.2 41,-2.1 -2,-0.1 2,-0.4 -0.923 42.0 -90.9-156.1-178.2 -41.6 -156.0 -67.6 12 12 A Y E -B 51 0B 51 -2,-0.3 39,-0.3 39,-0.3 800,-0.2 -0.898 31.3-144.8-103.6 135.3 -38.6 -155.1 -65.5 13 13 A S E - 0 0 0 37,-1.2 37,-0.2 -2,-0.4 351,-0.2 -0.315 36.7 -92.5 -85.1 179.8 -37.7 -151.5 -64.8 14 14 A S E S+ 0 0 2 349,-2.6 375,-0.4 -2,-0.1 791,-0.2 0.291 97.2 7.6 -91.1 13.6 -34.1 -150.3 -64.6 15 15 A F E S- 0 0 14 347,-0.3 35,-1.9 789,-0.1 2,-0.3 -0.548 85.1 -74.0-151.4-134.1 -33.4 -150.7 -61.0 16 16 A Y E -B 49 0B 0 33,-0.2 2,-0.6 -2,-0.2 33,-0.2 -0.918 27.8-117.0-136.9 152.8 -34.9 -152.1 -57.7 17 17 A F E -B 48 0B 0 31,-2.7 31,-2.7 -2,-0.3 2,-0.4 -0.902 40.0-166.7 -88.0 122.9 -37.6 -151.2 -55.2 18 18 A D E -B 47 0B 1 55,-2.2 2,-1.4 -2,-0.6 29,-0.2 -0.937 26.8-128.4-117.5 137.2 -35.8 -150.7 -51.9 19 19 A D > - 0 0 0 27,-3.1 4,-2.1 -2,-0.4 5,-0.2 -0.696 27.6-171.4 -81.3 92.2 -37.4 -150.4 -48.5 20 20 A Q H > S+ 0 0 43 -2,-1.4 4,-2.7 55,-0.3 -1,-0.2 0.856 80.8 53.8 -58.5 -37.6 -35.7 -147.1 -47.6 21 21 A Q H > S+ 0 0 89 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.932 108.3 48.3 -64.8 -45.8 -36.9 -147.3 -44.0 22 22 A A H 4>S+ 0 0 5 1,-0.2 5,-1.8 2,-0.2 4,-0.3 0.869 113.3 48.5 -63.5 -36.2 -35.4 -150.8 -43.5 23 23 A I H ><5S+ 0 0 35 -4,-2.1 3,-1.6 1,-0.2 -1,-0.2 0.924 111.4 48.8 -68.7 -44.0 -32.1 -149.7 -45.0 24 24 A K H 3<5S+ 0 0 127 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.839 102.7 63.7 -60.9 -36.1 -32.1 -146.5 -42.8 25 25 A N T 3<5S- 0 0 102 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.605 129.9 -95.5 -63.4 -14.9 -32.9 -148.8 -39.8 26 26 A G T < 5 - 0 0 60 -3,-1.6 -3,-0.2 -4,-0.3 -2,-0.2 0.590 53.3-175.9 111.1 16.4 -29.5 -150.5 -40.5 27 27 A A < - 0 0 27 -5,-1.8 -1,-0.2 1,-0.1 9,-0.1 -0.130 19.0-138.3 -48.2 131.0 -30.2 -153.5 -42.7 28 28 A G - 0 0 33 6,-0.1 7,-2.5 7,-0.1 2,-0.3 -0.181 18.3-137.9 -79.1-178.9 -27.1 -155.4 -43.3 29 29 A H E -D 34 0C 134 5,-0.3 2,-0.4 -2,-0.0 5,-0.2 -0.969 19.5-158.4-144.8 160.9 -26.3 -156.9 -46.7 30 30 A D E > S-D 33 0C 86 3,-2.8 3,-2.2 -2,-0.3 2,-0.2 -0.921 77.8 -50.3-137.5 103.9 -24.9 -159.9 -48.4 31 31 A G T 3 S- 0 0 32 -2,-0.4 560,-0.1 1,-0.3 559,-0.0 -0.476 124.2 -19.7 61.7-126.3 -23.7 -158.9 -51.8 32 32 A F T 3 S+ 0 0 25 -2,-0.2 2,-0.4 558,-0.2 -1,-0.3 0.511 120.6 96.5 -86.2 -5.9 -26.5 -157.0 -53.5 33 33 A I E < -D 30 0C 32 -3,-2.2 -3,-2.8 13,-0.0 2,-0.3 -0.730 67.2-141.4 -94.9 127.9 -29.1 -158.4 -51.1 34 34 A Y E -D 29 0C 53 -2,-0.4 12,-0.4 -5,-0.2 13,-0.3 -0.703 23.6-141.3 -83.1 138.7 -30.2 -156.5 -48.0 35 35 A T + 0 0 65 -7,-2.5 2,-0.1 -2,-0.3 -7,-0.1 -0.385 55.0 41.2 -96.7 175.5 -30.8 -158.8 -45.0 36 36 A G S S- 0 0 62 -2,-0.1 10,-0.4 -9,-0.1 -14,-0.0 -0.239 95.3 -50.4 79.9-175.5 -33.5 -158.8 -42.3 37 37 A D - 0 0 142 8,-0.1 8,-0.1 9,-0.1 2,-0.1 -0.651 51.9-117.2 -95.2 149.8 -37.2 -158.2 -42.7 38 38 A P - 0 0 31 0, 0.0 8,-0.1 0, 0.0 -1,-0.1 -0.420 18.9-168.0 -76.6 162.6 -38.7 -155.2 -44.6 39 39 A V + 0 0 82 -2,-0.1 3,-0.1 6,-0.1 7,-0.0 0.509 55.8 96.4-124.0 -20.6 -40.9 -152.8 -42.6 40 40 A T S > S- 0 0 16 1,-0.1 3,-1.7 35,-0.0 37,-0.1 -0.571 85.5-101.3 -80.3 133.2 -42.6 -150.7 -45.4 41 41 A P T 3 S+ 0 0 109 0, 0.0 42,-0.4 0, 0.0 -1,-0.1 -0.223 106.0 23.9 -54.5 136.9 -46.0 -151.9 -46.4 42 42 A G T 3 S+ 0 0 51 1,-0.3 2,-0.3 40,-0.1 34,-0.0 -0.145 94.2 114.5 99.7 -34.2 -46.1 -153.9 -49.6 43 43 A F < + 0 0 15 -3,-1.7 -1,-0.3 1,-0.2 3,-0.1 -0.513 35.5 176.3 -75.7 130.4 -42.5 -155.0 -49.4 44 44 A T S S+ 0 0 110 -2,-0.3 2,-0.3 1,-0.2 -1,-0.2 0.504 78.6 24.6-105.1 -11.6 -41.9 -158.7 -48.9 45 45 A S S S- 0 0 61 -8,-0.1 -1,-0.2 1,-0.1 3,-0.1 -0.957 83.7-115.5-141.4 159.9 -38.0 -158.2 -49.1 46 46 A V S S+ 0 0 3 -10,-0.4 -27,-3.1 -12,-0.4 2,-0.4 0.886 108.8 29.1 -64.6 -36.6 -35.9 -155.2 -48.3 47 47 A R E S+B 18 0B 31 -13,-0.3 2,-0.3 -29,-0.2 -29,-0.2 -0.996 75.2 177.2-127.4 130.3 -34.9 -155.1 -52.0 48 48 A Q E -B 17 0B 24 -31,-2.7 -31,-2.7 -2,-0.4 3,-0.1 -0.951 40.0 -90.0-130.7 146.8 -37.1 -156.3 -54.8 49 49 A A E -B 16 0B 12 -2,-0.3 -33,-0.2 549,-0.2 2,-0.2 -0.288 48.5-112.6 -52.5 134.0 -36.6 -156.4 -58.6 50 50 A G E - 0 0 0 -35,-1.9 -37,-1.2 -37,-0.2 2,-0.3 -0.537 39.6-166.3 -71.6 138.3 -38.0 -153.2 -60.2 51 51 A E E -B 12 0B 47 33,-0.4 20,-0.4 -39,-0.3 2,-0.3 -0.858 12.6-179.4-126.1 156.4 -41.1 -153.8 -62.3 52 52 A C E -B 11 0B 0 -41,-2.1 -41,-2.2 -2,-0.3 2,-0.4 -0.911 22.1-134.1-140.8 170.6 -43.0 -151.9 -64.9 53 53 A V E -BC 10 69B 0 16,-1.7 16,-3.1 -2,-0.3 2,-0.3 -0.976 21.7-143.0-128.2 118.8 -46.1 -152.4 -67.0 54 54 A S E -BC 9 68B 1 -45,-3.1 -45,-2.1 -2,-0.4 2,-0.5 -0.659 9.5-153.5 -81.0 136.1 -45.8 -151.4 -70.7 55 55 A V E -BC 8 67B 0 12,-3.4 12,-1.7 -2,-0.3 2,-0.4 -0.940 12.0-175.1-107.9 125.6 -48.8 -149.8 -72.2 56 56 A Q E -BC 7 66B 5 -49,-2.5 -49,-2.7 -2,-0.5 2,-0.6 -0.996 6.2-166.3-123.3 130.7 -49.2 -150.1 -76.0 57 57 A L E -BC 6 65B 1 8,-2.6 8,-2.8 -2,-0.4 2,-0.6 -0.953 7.8-155.5-119.1 109.9 -52.0 -148.4 -77.8 58 58 A I E -BC 5 64B 15 -53,-2.8 -54,-3.0 -2,-0.6 -53,-1.8 -0.786 19.9-153.0 -84.8 121.8 -52.6 -149.6 -81.4 59 59 A L E > -B 3 0B 0 4,-2.9 3,-2.1 -2,-0.6 -56,-0.2 -0.438 28.5-102.7 -93.0 167.7 -54.3 -146.7 -83.3 60 60 A E T 3 S+ 0 0 111 -58,-2.0 -57,-0.1 1,-0.3 -1,-0.1 0.780 122.0 57.1 -58.2 -31.0 -56.6 -146.8 -86.3 61 61 A N T 3 S- 0 0 79 -59,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.373 121.8-107.1 -82.3 4.1 -53.7 -145.8 -88.5 62 62 A G S < S+ 0 0 33 -3,-2.1 -2,-0.1 1,-0.3 496,-0.0 0.305 75.3 137.2 89.5 -8.1 -51.7 -148.8 -87.4 63 63 A A - 0 0 23 81,-0.1 -4,-2.9 -5,-0.1 2,-0.5 -0.331 47.2-140.1 -69.4 154.4 -49.3 -146.8 -85.2 64 64 A V E -C 58 0B 37 -6,-0.2 2,-0.3 -3,-0.1 -6,-0.2 -0.943 12.3-158.9-121.8 110.4 -48.4 -148.2 -81.8 65 65 A A E -C 57 0B 0 -8,-2.8 -8,-2.6 -2,-0.5 2,-0.3 -0.649 14.3-158.7 -86.1 144.2 -48.1 -145.6 -79.0 66 66 A V E +C 56 0B 19 -2,-0.3 2,-0.3 -10,-0.2 74,-0.2 -0.924 21.7 156.2-131.5 149.5 -46.1 -146.6 -76.0 67 67 A G E -C 55 0B 0 -12,-1.7 -12,-3.4 -2,-0.3 2,-0.5 -0.965 27.3-132.2-159.4 157.2 -45.7 -145.7 -72.3 68 68 A D E -C 54 0B 0 -2,-0.3 2,-0.5 -14,-0.2 -14,-0.2 -0.965 7.9-141.6-124.7 126.4 -44.5 -147.4 -69.2 69 69 A C E +C 53 0B 0 -16,-3.1 -16,-1.7 -2,-0.5 2,-0.3 -0.720 43.1 155.6 -75.2 122.7 -46.0 -147.6 -65.8 70 70 A A - 0 0 0 -2,-0.5 2,-0.3 59,-0.5 293,-0.1 -0.977 27.4-155.1-152.6 156.2 -43.1 -147.2 -63.4 71 71 A A - 0 0 3 291,-0.5 4,-0.1 -20,-0.4 -20,-0.1 -0.900 31.7 -85.9-135.2 160.8 -42.5 -146.1 -59.8 72 72 A V > - 0 0 2 -2,-0.3 3,-0.7 2,-0.1 12,-0.2 -0.155 34.3-113.3 -70.8 160.0 -39.5 -144.8 -57.8 73 73 A Q T 3 S+ 0 0 13 1,-0.3 -55,-2.2 -56,-0.1 2,-1.4 0.932 115.6 49.5 -53.2 -52.6 -36.9 -146.8 -56.1 74 74 A Y T > S+ 0 0 31 -57,-0.2 3,-1.3 -55,-0.1 -1,-0.3 -0.401 84.7 173.2 -91.1 61.5 -37.9 -145.7 -52.7 75 75 A S T < + 0 0 4 -2,-1.4 8,-0.3 -3,-0.7 -55,-0.3 -0.326 62.2 25.7 -69.3 148.0 -41.6 -146.5 -53.2 76 76 A G T 3 S+ 0 0 30 5,-2.2 3,-0.3 1,-0.3 2,-0.3 0.429 101.1 112.1 78.2 -3.3 -43.9 -146.2 -50.2 77 77 A A S X S+ 0 0 17 -3,-1.3 3,-2.0 4,-0.2 -1,-0.3 -0.703 72.9 10.0 -99.4 152.4 -41.5 -143.7 -48.6 78 78 A G T 3 S- 0 0 24 1,-0.3 231,-0.4 -2,-0.3 -1,-0.2 0.765 133.2 -50.5 58.0 32.6 -42.1 -140.0 -48.1 79 79 A G T 3 S+ 0 0 58 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.417 102.3 138.4 87.0 0.7 -45.8 -140.0 -48.9 80 80 A R < - 0 0 33 -3,-2.0 -1,-0.3 -6,-0.2 3,-0.1 -0.268 60.6 -92.9 -76.7 163.0 -45.4 -141.8 -52.2 81 81 A D - 0 0 50 1,-0.1 -5,-2.2 -3,-0.1 -4,-0.2 -0.257 56.0 -84.9 -67.8 163.1 -47.6 -144.5 -53.5 82 82 A P - 0 0 67 0, 0.0 -6,-0.2 0, 0.0 -1,-0.1 -0.066 57.5 -71.7 -66.7 167.8 -46.6 -148.1 -52.8 83 83 A L - 0 0 15 -42,-0.4 2,-0.6 -8,-0.3 -10,-0.1 -0.262 53.0-125.5 -59.4 155.9 -44.2 -150.3 -54.7 84 84 A F - 0 0 0 -33,-0.2 2,-0.4 -12,-0.2 -33,-0.4 -0.907 28.4-178.9-119.3 106.8 -45.6 -151.3 -58.1 85 85 A L >> - 0 0 48 -2,-0.6 4,-1.5 1,-0.1 3,-0.7 -0.899 25.2-143.0-112.1 131.9 -45.7 -155.0 -59.1 86 86 A A H 3> S+ 0 0 3 -2,-0.4 4,-2.9 1,-0.2 -1,-0.1 0.830 92.9 71.8 -60.0 -34.9 -47.1 -156.2 -62.4 87 87 A E H 34 S+ 0 0 87 1,-0.2 -1,-0.2 2,-0.2 -77,-0.0 0.888 108.1 34.5 -48.5 -48.6 -48.7 -159.3 -61.0 88 88 A H H <> S+ 0 0 68 -3,-0.7 4,-1.1 1,-0.2 -1,-0.2 0.883 120.2 48.3 -75.3 -41.8 -51.4 -157.2 -59.3 89 89 A F H X S+ 0 0 34 -4,-1.5 4,-3.0 1,-0.2 5,-0.3 0.775 94.8 69.2 -79.8 -24.7 -51.7 -154.6 -61.9 90 90 A I H X S+ 0 0 36 -4,-2.9 4,-2.6 2,-0.2 5,-0.2 0.966 107.2 38.4 -59.9 -54.5 -52.0 -156.6 -65.2 91 91 A P H > S+ 0 0 63 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.906 115.8 54.5 -61.1 -40.7 -55.5 -158.0 -64.4 92 92 A F H X>S+ 0 0 51 -4,-1.1 4,-2.9 1,-0.2 5,-0.5 0.927 112.0 43.6 -57.0 -48.6 -56.5 -154.6 -62.9 93 93 A L H X>S+ 0 0 0 -4,-3.0 5,-2.7 2,-0.2 4,-1.8 0.911 114.3 48.6 -67.7 -42.1 -55.6 -152.8 -66.0 94 94 A N H <5S+ 0 0 45 -4,-2.6 -2,-0.2 -5,-0.3 -1,-0.2 0.925 119.7 39.3 -63.8 -40.3 -57.1 -155.3 -68.4 95 95 A D H <5S+ 0 0 112 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.913 131.2 20.5 -74.7 -46.5 -60.4 -155.3 -66.4 96 96 A H H <5S+ 0 0 67 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.682 130.7 31.3-103.1 -23.9 -60.8 -151.7 -65.5 97 97 A I T >X> S+ 0 0 1 -2,-0.3 4,-2.4 44,-0.1 3,-0.3 0.839 76.7 63.2-102.8 -47.6 -54.0 -135.3 -75.2 110 110 A L H > S+ 0 0 21 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.854 99.0 51.8 -59.2 -47.3 -55.0 -133.2 -72.2 111 111 A P H > S+ 0 0 69 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.934 114.6 45.2 -56.0 -43.0 -58.7 -134.3 -71.8 112 112 A N H > S+ 0 0 13 -3,-0.3 4,-2.2 2,-0.2 5,-0.2 0.912 112.4 50.9 -66.1 -42.3 -57.6 -137.9 -71.8 113 113 A A H X S+ 0 0 3 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.932 112.1 47.2 -60.3 -44.4 -54.7 -137.2 -69.4 114 114 A R H X S+ 0 0 112 -4,-2.9 4,-1.4 2,-0.2 -2,-0.2 0.905 107.9 56.6 -63.5 -40.5 -57.1 -135.4 -67.0 115 115 A F H >X S+ 0 0 78 -4,-2.3 4,-0.7 -5,-0.3 3,-0.6 0.955 113.7 37.8 -58.1 -51.4 -59.6 -138.2 -67.2 116 116 A F H 3< S+ 0 0 4 -4,-2.2 10,-0.3 1,-0.2 3,-0.2 0.793 109.7 62.6 -72.7 -24.1 -57.2 -140.8 -66.1 117 117 A D H 3< S+ 0 0 15 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.766 114.6 32.8 -70.5 -24.2 -55.5 -138.6 -63.6 118 118 A K H << S+ 0 0 129 -4,-1.4 -1,-0.2 -3,-0.6 -2,-0.2 0.370 89.0 123.7-111.9 -1.4 -58.8 -138.2 -61.6 119 119 A L < - 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0 0 24 -5,-2.6 -1,-0.2 -6,-0.2 -41,-0.1 -0.401 35.9-154.3 -70.5 145.0 -23.6 -117.8 -50.0 301 301 A G + 0 0 45 -42,-0.2 -31,-0.3 -2,-0.1 2,-0.3 0.388 63.0 110.4 -95.7 2.4 -23.7 -118.8 -53.7 302 302 A V - 0 0 1 -7,-0.1 2,-0.3 -33,-0.1 -31,-0.2 -0.590 56.3-151.7 -81.6 138.6 -24.7 -122.4 -52.8 303 303 A K E -j 271 0E 61 -33,-2.3 -31,-2.7 -2,-0.3 2,-0.3 -0.770 1.2-141.9-111.3 153.7 -28.2 -123.4 -53.6 304 304 A I E -j 272 0E 0 -2,-0.3 23,-1.5 -33,-0.2 22,-1.3 -0.891 7.7-149.9-117.3 150.6 -30.5 -126.0 -52.1 305 305 A V E -jk 273 327E 0 -33,-2.0 -31,-2.6 -2,-0.3 23,-0.2 -0.966 10.0-138.2-121.1 126.8 -33.0 -128.4 -53.7 306 306 A A E + k 0 328E 0 21,-2.4 23,-2.8 -2,-0.4 3,-0.1 -0.551 41.7 137.6 -78.4 148.1 -36.2 -129.7 -52.3 307 307 A D > + 0 0 7 1,-0.4 3,-2.2 -2,-0.2 -1,-0.1 0.208 44.4 76.0-150.3 -74.5 -37.1 -133.3 -52.8 308 308 A E T 3 S+ 0 0 21 1,-0.3 -1,-0.4 -32,-0.2 -30,-0.1 -0.249 111.0 10.7 -54.2 134.2 -38.5 -135.2 -49.8 309 309 A W T 3 S+ 0 0 56 -231,-0.4 2,-0.7 1,-0.1 -1,-0.3 0.415 103.1 102.2 74.5 4.3 -42.2 -134.4 -49.2 310 310 A C < + 0 0 0 -3,-2.2 21,-0.4 1,-0.1 -1,-0.1 -0.781 42.6 127.4-115.1 82.2 -42.4 -132.5 -52.5 311 311 A N + 0 0 11 -2,-0.7 20,-0.2 19,-0.1 -1,-0.1 0.878 50.3 48.1-105.2 -55.8 -44.2 -135.2 -54.6 312 312 A T S > S- 0 0 58 -3,-0.2 4,-2.4 1,-0.1 5,-0.2 -0.347 86.8-100.0 -91.1 171.6 -47.3 -134.0 -56.4 313 313 A Y H > S+ 0 0 71 22,-0.2 4,-2.3 1,-0.2 5,-0.2 0.938 125.6 48.6 -52.8 -49.6 -48.1 -131.0 -58.5 314 314 A Q H > S+ 0 0 99 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.889 107.7 54.8 -63.9 -37.2 -49.8 -129.3 -55.5 315 315 A D H > S+ 0 0 20 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.930 108.1 49.5 -57.6 -45.9 -46.8 -130.1 -53.4 316 316 A I H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.919 109.7 51.0 -61.5 -43.4 -44.5 -128.3 -55.9 317 317 A V H X S+ 0 0 9 -4,-2.3 4,-3.1 1,-0.2 -1,-0.2 0.925 111.0 49.9 -56.9 -44.6 -46.8 -125.3 -55.9 318 318 A D H X S+ 0 0 48 -4,-2.6 4,-1.4 1,-0.2 -2,-0.2 0.903 111.1 46.6 -65.7 -43.7 -46.7 -125.2 -52.1 319 319 A F H <>S+ 0 0 0 -4,-2.6 5,-1.8 2,-0.2 6,-0.3 0.885 116.1 47.6 -64.1 -38.7 -42.9 -125.4 -52.0 320 320 A T H ><5S+ 0 0 12 -4,-2.3 3,-1.9 -5,-0.2 -2,-0.2 0.942 108.8 51.5 -65.4 -49.6 -42.7 -122.7 -54.7 321 321 A D H 3<5S+ 0 0 96 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.788 107.0 55.6 -61.9 -29.6 -45.2 -120.3 -53.1 322 322 A A T 3<5S- 0 0 44 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.532 103.4-129.9 -79.2 -8.0 -43.3 -120.5 -49.8 323 323 A G T < 5 + 0 0 47 -3,-1.9 -3,-0.2 -4,-0.2 -2,-0.1 0.890 53.8 156.0 59.3 40.0 -40.0 -119.4 -51.4 324 324 A S < - 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