==== 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 12-NOV-01 1KCZ . COMPND 2 MOLECULE: BETA-METHYLASPARTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM TETANOMORPHUM; . AUTHOR M.ASUNCION,W.BLANKENFELDT,J.N.BARLOW,D.GANI,J.H.NAISMITH . 826 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29391.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 604 73.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 62 7.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 63 7.6 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 . 57 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 73 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 295 35.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 26 3.1 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 1 0 2 4 2 2 2 0 2 2 0 2 2 4 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 6 0 8 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 . 4 3 3 0 0 2 0 2 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 . 6 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 M 0 0 54 0, 0.0 105,-3.1 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 133.4 36.7 33.2 22.9 2 2 A K B -A 105 0A 95 103,-0.3 58,-2.0 105,-0.0 2,-0.5 -0.900 360.0-112.5-118.8 161.4 38.1 31.6 26.0 3 3 A I E -B 59 0B 2 101,-2.1 100,-3.1 98,-0.4 101,-0.3 -0.746 30.7-179.6 -80.8 128.0 37.7 28.4 28.0 4 4 A V E + 0 0 64 54,-3.1 2,-0.3 -2,-0.5 55,-0.2 0.619 61.1 11.0-107.2 -15.9 36.2 29.3 31.3 5 5 A D E -B 58 0B 45 53,-1.2 53,-2.1 96,-0.1 2,-0.4 -0.984 55.2-151.9-157.9 157.6 35.9 26.0 33.0 6 6 A V E -B 57 0B 15 -2,-0.3 2,-0.4 51,-0.2 51,-0.2 -0.999 14.6-176.7-134.1 127.5 37.0 22.4 32.7 7 7 A L E -B 56 0B 28 49,-2.3 49,-2.7 -2,-0.4 2,-0.4 -0.958 6.2-164.3-122.9 143.7 35.1 19.4 34.0 8 8 A C E -B 55 0B 16 -2,-0.4 47,-0.2 47,-0.2 -2,-0.0 -0.993 7.1-176.4-124.8 136.0 36.1 15.7 33.9 9 9 A T E -B 54 0B 7 45,-2.0 45,-2.6 -2,-0.4 2,-0.1 -0.992 26.5-119.5-129.7 144.4 33.7 12.8 34.5 10 10 A P E +B 53 0B 63 0, 0.0 2,-0.3 0, 0.0 43,-0.2 -0.454 43.4 168.6 -73.8 151.7 34.5 9.0 34.7 11 11 A G E -B 52 0B 9 41,-2.4 41,-2.0 -2,-0.1 75,-0.2 -0.917 31.1-104.2-150.6 178.3 32.7 6.9 32.1 12 12 A L - 0 0 13 -2,-0.3 2,-0.2 39,-0.3 39,-0.2 -0.403 27.3-150.8 -97.3 178.9 32.3 3.6 30.4 13 13 A T - 0 0 0 37,-0.5 797,-0.2 2,-0.4 351,-0.2 -0.762 37.8 -85.0-138.8-173.4 33.4 2.5 26.9 14 14 A G S S- 0 0 0 349,-2.4 375,-0.5 -2,-0.2 793,-0.2 0.524 102.8 -2.5 -80.2 -1.2 32.3 0.1 24.2 15 15 A F S S- 0 0 5 348,-0.2 35,-1.8 373,-0.2 -2,-0.4 -0.493 82.2 -63.7-156.5-141.8 34.2 -2.8 25.8 16 16 A Y E -D 49 0C 0 33,-0.2 2,-0.6 -2,-0.2 33,-0.2 -0.890 25.4-122.3-129.9 156.0 36.5 -4.1 28.5 17 17 A F E -D 48 0C 0 31,-2.5 31,-2.9 -2,-0.3 2,-0.4 -0.920 38.0-169.0 -91.7 124.2 40.0 -3.8 29.9 18 18 A D E -D 47 0C 2 55,-1.9 2,-1.5 -2,-0.6 29,-0.2 -0.962 27.4-128.6-117.7 136.9 41.6 -7.3 29.7 19 19 A D > - 0 0 1 27,-3.2 4,-2.2 -2,-0.4 3,-0.3 -0.634 28.0-175.3 -80.2 88.2 44.8 -8.4 31.4 20 20 A Q H > S+ 0 0 60 -2,-1.5 4,-2.1 1,-0.2 -1,-0.2 0.827 78.5 55.8 -58.5 -35.2 46.3 -10.0 28.3 21 21 A R H > S+ 0 0 102 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.907 108.9 47.2 -67.2 -39.1 49.4 -11.3 30.2 22 22 A A H 4>S+ 0 0 4 -3,-0.3 5,-1.6 2,-0.2 -2,-0.2 0.871 108.7 53.8 -69.4 -39.1 47.1 -13.2 32.6 23 23 A I H ><5S+ 0 0 44 -4,-2.2 3,-1.7 1,-0.2 -1,-0.2 0.922 108.4 51.1 -62.3 -41.6 45.1 -14.6 29.8 24 24 A K H 3<5S+ 0 0 142 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.764 106.0 54.9 -67.8 -23.0 48.3 -15.9 28.3 25 25 A K T 3<5S- 0 0 167 -4,-1.0 -1,-0.3 -3,-0.2 -2,-0.2 0.330 134.3 -80.8 -90.0 9.4 49.2 -17.5 31.6 26 26 A G T < 5 + 0 0 65 -3,-1.7 -3,-0.2 1,-0.2 -2,-0.1 0.668 60.0 174.5 107.3 20.4 45.9 -19.5 31.8 27 27 A A < - 0 0 20 -5,-1.6 2,-0.5 1,-0.1 9,-0.2 -0.346 38.9-108.0 -58.3 145.0 43.1 -17.3 33.0 28 28 A G E -E 35 0D 26 7,-1.8 7,-3.1 1,-0.0 2,-0.6 -0.621 19.4-143.7 -82.9 117.1 39.7 -19.1 32.9 29 29 A H E +E 34 0D 118 -2,-0.5 2,-0.4 5,-0.2 5,-0.2 -0.701 30.5 168.9 -77.0 117.0 37.1 -17.9 30.3 30 30 A D E > -E 33 0D 61 3,-2.6 3,-2.2 -2,-0.6 2,-0.1 -0.947 60.0 -51.7-138.4 107.5 33.8 -18.3 32.1 31 31 A G T 3 S- 0 0 31 -2,-0.4 562,-0.1 1,-0.3 563,-0.0 -0.430 120.4 -25.0 59.7-126.3 30.8 -16.7 30.4 32 32 A F T 3 S+ 0 0 36 560,-0.2 -1,-0.3 561,-0.2 2,-0.2 0.144 130.0 72.6 -99.8 17.6 31.8 -13.1 29.6 33 33 A T E < S-E 30 0D 14 -3,-2.2 -3,-2.6 -5,-0.0 2,-0.4 -0.677 71.3-131.4-122.2 176.1 34.4 -13.0 32.4 34 34 A Y E -E 29 0D 39 -5,-0.2 13,-0.4 -2,-0.2 12,-0.4 -0.998 19.4-150.9-127.7 132.6 37.9 -14.5 33.1 35 35 A T E +E 28 0D 52 -7,-3.1 -7,-1.8 -2,-0.4 2,-0.2 -0.700 47.9 58.5 -98.7 159.2 38.7 -16.1 36.4 36 36 A G S S- 0 0 57 -2,-0.3 10,-0.4 -9,-0.2 2,-0.1 -0.506 84.3 -41.1 119.0 173.5 42.1 -16.3 38.0 37 37 A S - 0 0 109 -2,-0.2 2,-0.1 1,-0.1 8,-0.1 -0.420 55.1-120.0 -78.1 146.4 44.8 -14.1 39.3 38 38 A T - 0 0 51 6,-0.2 -1,-0.1 -2,-0.1 8,-0.1 -0.389 22.4-176.0 -80.0 164.8 46.0 -10.9 37.5 39 39 A V + 0 0 82 1,-0.1 2,-0.4 -2,-0.1 -1,-0.1 0.560 58.5 82.0-129.5 -31.5 49.5 -10.4 36.3 40 40 A T S > S- 0 0 10 1,-0.1 3,-1.9 6,-0.0 -1,-0.1 -0.616 87.8-101.6 -88.3 135.0 49.5 -6.8 34.9 41 41 A E T 3 S+ 0 0 185 -2,-0.4 42,-0.4 1,-0.2 -1,-0.1 -0.122 103.5 22.0 -49.5 135.3 50.0 -3.9 37.2 42 42 A G T 3 S+ 0 0 46 1,-0.3 -1,-0.2 40,-0.1 2,-0.2 0.042 90.6 118.3 96.2 -23.8 46.8 -2.1 38.1 43 43 A F < + 0 0 10 -3,-1.9 -1,-0.3 1,-0.2 -5,-0.1 -0.525 34.4 179.0 -80.5 137.2 44.3 -4.9 37.3 44 44 A T S S+ 0 0 102 1,-0.3 2,-0.3 -2,-0.2 -6,-0.2 0.698 78.9 24.2-105.9 -22.5 42.2 -6.2 40.1 45 45 A Q S S- 0 0 58 -8,-0.1 -1,-0.3 1,-0.1 -26,-0.1 -0.926 82.7-117.7-129.2 159.9 40.4 -8.7 37.9 46 46 A V S S+ 0 0 1 -10,-0.4 -27,-3.2 -12,-0.4 2,-0.4 0.861 109.0 32.3 -64.2 -38.4 41.5 -10.3 34.7 47 47 A R E S+D 18 0C 16 -13,-0.4 2,-0.3 -29,-0.2 -29,-0.2 -0.993 78.3 166.8-119.7 130.2 38.6 -8.6 32.9 48 48 A Q E -D 17 0C 14 -31,-2.9 -31,-2.5 -2,-0.4 553,-0.1 -0.901 44.5 -79.0-137.6 158.2 37.3 -5.2 34.1 49 49 A K E -D 16 0C 57 551,-0.4 -33,-0.2 -2,-0.3 2,-0.2 -0.294 49.3-114.8 -57.7 139.7 35.0 -2.6 32.7 50 50 A G - 0 0 0 -35,-1.8 -37,-0.5 -37,-0.1 2,-0.4 -0.540 37.2-146.8 -69.8 148.7 36.7 -0.4 30.1 51 51 A E - 0 0 27 33,-0.2 20,-0.5 -39,-0.2 2,-0.3 -0.923 19.9-179.7-126.3 149.0 36.9 3.2 31.3 52 52 A S E -B 11 0B 0 -41,-2.0 -41,-2.4 -2,-0.4 2,-0.4 -0.836 19.1-142.0-128.6 164.6 36.8 6.7 29.8 53 53 A I E -BC 10 69B 0 16,-1.4 16,-3.3 -2,-0.3 2,-0.5 -0.973 15.7-145.6-126.5 119.9 37.1 10.2 31.1 54 54 A S E -BC 9 68B 0 -45,-2.6 -45,-2.0 -2,-0.4 2,-0.5 -0.754 13.0-157.8 -81.8 125.3 34.8 12.8 29.5 55 55 A V E -BC 8 67B 0 12,-3.2 12,-2.0 -2,-0.5 2,-0.5 -0.943 8.6-168.7-107.3 117.7 36.6 16.2 29.3 56 56 A L E -BC 7 66B 3 -49,-2.7 -49,-2.3 -2,-0.5 2,-0.6 -0.959 7.2-163.4-112.5 126.8 34.2 19.1 29.0 57 57 A L E -BC 6 65B 0 8,-2.4 8,-3.0 -2,-0.5 2,-0.5 -0.951 11.1-150.9-112.3 108.1 35.5 22.6 28.1 58 58 A V E -BC 5 64B 4 -53,-2.1 -54,-3.1 -2,-0.6 -53,-1.2 -0.712 15.5-148.6 -78.3 124.0 32.9 25.3 29.0 59 59 A L E > -B 3 0B 2 4,-3.0 3,-2.4 -2,-0.5 -56,-0.2 -0.526 26.4-105.4 -92.7 160.5 33.3 28.3 26.7 60 60 A E T 3 S+ 0 0 125 -58,-2.0 -57,-0.1 1,-0.3 -1,-0.1 0.780 120.0 55.1 -51.7 -31.7 32.7 31.9 27.5 61 61 A D T 3 S- 0 0 35 -59,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.381 122.5-103.4 -87.3 7.6 29.5 31.9 25.4 62 62 A G S < S+ 0 0 25 -3,-2.4 -2,-0.1 1,-0.3 -1,-0.0 0.312 78.2 133.4 89.7 -8.2 28.1 28.9 27.4 63 63 A Q - 0 0 12 -5,-0.1 -4,-3.0 78,-0.0 2,-0.5 -0.328 47.8-139.9 -70.6 158.6 28.8 26.2 24.8 64 64 A V E -C 58 0B 43 -6,-0.2 2,-0.3 -3,-0.1 -6,-0.2 -0.982 6.7-152.8-128.0 118.0 30.4 23.0 26.1 65 65 A A E -C 57 0B 0 -8,-3.0 -8,-2.4 -2,-0.5 2,-0.4 -0.651 18.0-160.8 -86.9 145.2 33.1 21.3 24.1 66 66 A H E +C 56 0B 27 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.978 20.9 159.0-141.8 122.1 33.4 17.5 24.7 67 67 A G E -C 55 0B 0 -12,-2.0 -12,-3.2 -2,-0.4 2,-0.5 -0.930 27.3-135.4-131.0 158.6 36.1 14.9 24.1 68 68 A D E -C 54 0B 0 -2,-0.3 2,-0.3 -14,-0.2 -14,-0.2 -0.965 6.6-142.8-120.3 124.3 36.6 11.5 25.7 69 69 A C E +C 53 0B 0 -16,-3.3 -16,-1.4 -2,-0.5 2,-0.3 -0.627 37.5 157.0 -74.0 135.9 39.8 10.0 26.9 70 70 A A - 0 0 0 59,-0.4 2,-0.3 -2,-0.3 293,-0.1 -0.980 24.8-154.4-158.3 155.6 40.0 6.2 26.2 71 71 A A - 0 0 6 -20,-0.5 4,-0.1 291,-0.4 263,-0.0 -0.829 32.5 -82.5-126.1 170.0 42.5 3.4 25.7 72 72 A V > - 0 0 18 -2,-0.3 3,-0.8 2,-0.1 -1,-0.1 -0.156 44.6-103.4 -61.6 166.4 42.7 0.1 23.9 73 73 A Q T 3 S+ 0 0 27 1,-0.3 -55,-1.9 -56,-0.1 2,-1.1 0.914 120.4 54.6 -58.0 -44.3 41.3 -3.2 25.4 74 74 A Y T > S+ 0 0 72 -57,-0.2 3,-1.9 -55,-0.1 -1,-0.3 -0.235 79.9 169.7 -92.8 53.5 44.7 -4.4 26.3 75 75 A S T < + 0 0 3 -2,-1.1 8,-0.2 -3,-0.8 -55,-0.2 -0.336 67.3 20.2 -61.6 138.4 45.5 -1.3 28.3 76 76 A G T 3 S+ 0 0 10 5,-1.3 -1,-0.3 6,-0.3 -35,-0.2 0.473 96.0 130.5 80.0 -4.8 48.7 -1.7 30.3 77 77 A A S X S- 0 0 5 -3,-1.9 3,-2.5 1,-0.2 -1,-0.2 -0.153 72.7 -44.5 -73.2 177.7 49.9 -4.6 28.0 78 78 A G T 3 S+ 0 0 56 1,-0.3 -1,-0.2 -3,-0.1 3,-0.1 -0.191 130.8 4.9 -51.0 125.0 53.4 -4.7 26.5 79 79 A G T 3 S+ 0 0 93 1,-0.3 2,-0.3 -3,-0.1 -1,-0.3 0.516 108.1 113.8 78.3 6.6 54.5 -1.4 25.0 80 80 A R S < S- 0 0 93 -3,-2.5 -1,-0.3 -6,-0.1 3,-0.1 -0.743 72.3-104.6-108.5 158.3 51.3 0.4 26.3 81 81 A D - 0 0 56 -2,-0.3 -5,-1.3 1,-0.2 3,-0.2 -0.309 62.6 -67.4 -67.1 165.1 50.9 3.1 28.8 82 82 A P S S- 0 0 84 0, 0.0 -6,-0.3 0, 0.0 -1,-0.2 -0.002 70.3 -67.8 -62.1 163.0 49.4 2.0 32.2 83 83 A L - 0 0 7 -42,-0.4 2,-1.7 -8,-0.2 -7,-0.0 -0.231 54.7-125.4 -54.0 130.0 46.0 0.7 32.8 84 84 A F + 0 0 0 -3,-0.2 2,-0.5 -33,-0.1 -33,-0.2 -0.499 40.2 167.9 -90.9 76.8 43.7 3.6 32.2 85 85 A L >> - 0 0 12 -2,-1.7 4,-1.8 1,-0.1 3,-1.2 -0.749 33.8-141.3 -87.9 127.6 41.5 3.9 35.3 86 86 A A H 3> S+ 0 0 2 -2,-0.5 4,-3.1 1,-0.3 -1,-0.1 0.860 99.9 58.8 -54.9 -43.5 39.6 7.1 35.5 87 87 A K H 34 S+ 0 0 161 1,-0.2 -1,-0.3 2,-0.2 -3,-0.0 0.765 109.3 45.1 -62.6 -25.5 40.2 7.4 39.3 88 88 A D H <4 S+ 0 0 81 -3,-1.2 4,-0.3 2,-0.1 -1,-0.2 0.821 121.7 35.0 -83.7 -32.5 43.9 7.5 38.7 89 89 A F H X S+ 0 0 33 -4,-1.8 4,-2.3 2,-0.2 3,-0.2 0.711 98.0 74.2-104.3 -18.5 43.9 9.9 35.8 90 90 A I H X S+ 0 0 19 -4,-3.1 4,-3.3 -5,-0.2 5,-0.3 0.953 97.6 52.5 -54.0 -49.1 41.1 12.3 36.6 91 91 A P H > S+ 0 0 66 0, 0.0 4,-2.2 0, 0.0 5,-0.3 0.827 105.9 54.5 -57.1 -32.6 43.3 13.9 39.3 92 92 A V H >>S+ 0 0 45 -4,-0.3 4,-2.6 -3,-0.2 5,-0.8 0.935 111.9 42.9 -67.1 -48.0 46.1 14.4 36.8 93 93 A I H X>S+ 0 0 0 -4,-2.3 5,-3.1 1,-0.2 4,-1.5 0.957 116.5 48.3 -61.4 -47.3 43.9 16.3 34.4 94 94 A E H <5S+ 0 0 110 -4,-3.3 -2,-0.2 -5,-0.2 -1,-0.2 0.871 122.1 32.4 -62.9 -37.9 42.3 18.3 37.2 95 95 A K H <5S+ 0 0 177 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.873 131.6 24.3 -90.9 -39.0 45.6 19.3 38.9 96 96 A E H <5S+ 0 0 77 -4,-2.6 -3,-0.2 -5,-0.3 -2,-0.1 0.729 129.7 27.3-101.1 -28.0 48.0 19.6 36.0 97 97 A I T >X> - 0 0 93 1,-0.1 4,-1.0 49,-0.0 -1,-0.4 -0.787 56.7-129.7-107.0 153.9 43.4 27.5 15.8 109 109 A F H > S+ 0 0 0 -2,-0.3 4,-3.3 1,-0.1 5,-0.3 0.916 95.0 62.7 -69.3 -41.8 43.3 23.8 16.5 110 110 A K H > S+ 0 0 75 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.926 106.6 38.5 -59.7 -54.1 46.8 22.8 15.3 111 111 A P H > S+ 0 0 69 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.910 118.9 48.8 -65.6 -39.6 49.1 24.7 17.7 112 112 A M H X S+ 0 0 4 -4,-1.0 4,-2.2 2,-0.2 -2,-0.2 0.936 113.2 46.6 -63.9 -45.3 46.8 24.2 20.7 113 113 A A H X S+ 0 0 0 -4,-3.3 4,-2.5 1,-0.2 5,-0.2 0.925 112.2 50.7 -63.1 -45.4 46.5 20.5 20.0 114 114 A E H X S+ 0 0 41 -4,-2.8 4,-1.7 -5,-0.3 -1,-0.2 0.908 108.1 53.9 -60.8 -36.8 50.3 20.1 19.5 115 115 A E H X S+ 0 0 72 -4,-2.1 4,-0.6 -5,-0.2 3,-0.3 0.966 114.4 39.5 -63.4 -47.3 51.0 22.0 22.8 116 116 A F H < S+ 0 0 2 -4,-2.2 3,-0.4 1,-0.2 -1,-0.2 0.830 111.1 58.0 -73.8 -31.1 48.8 19.6 24.8 117 117 A D H < S+ 0 0 6 -4,-2.5 9,-0.2 1,-0.2 -1,-0.2 0.818 115.5 37.1 -62.3 -36.0 49.9 16.5 22.9 118 118 A K H < S+ 0 0 131 -4,-1.7 -1,-0.2 -3,-0.3 -2,-0.2 0.412 87.3 126.5 -98.4 -0.4 53.5 17.2 23.9 119 119 A M < - 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0 0 80 -3,-2.1 4,-2.8 -6,-0.3 5,-0.3 -0.667 31.8-150.1 -77.1 113.4 58.2 -16.8 1.0 251 251 A I H > S+ 0 0 41 -2,-0.7 4,-2.4 1,-0.2 5,-0.2 0.916 92.9 44.2 -53.5 -47.9 57.2 -13.7 -1.1 252 252 A K H > S+ 0 0 133 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.893 114.5 48.2 -64.5 -42.8 56.2 -15.8 -4.2 253 253 A A H > S+ 0 0 25 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.904 112.2 49.2 -67.0 -40.6 54.3 -18.4 -2.2 254 254 A M H X S+ 0 0 0 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.896 111.5 49.8 -63.6 -42.6 52.4 -15.7 -0.3 255 255 A A H X S+ 0 0 0 -4,-2.4 4,-2.5 -5,-0.3 -2,-0.2 0.890 109.1 51.9 -61.8 -43.4 51.6 -13.9 -3.5 256 256 A D H X S+ 0 0 59 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.908 111.6 47.3 -59.6 -43.5 50.3 -17.1 -5.1 257 257 A Y H X S+ 0 0 15 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.964 111.7 48.3 -65.9 -44.6 48.1 -17.8 -2.1 258 258 A I H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.3 -1,-0.2 0.868 107.0 58.3 -64.9 -36.6 46.7 -14.3 -2.0 259 259 A Q H X S+ 0 0 60 -4,-2.5 4,-2.1 1,-0.2 -1,-0.3 0.915 105.6 48.9 -58.1 -44.5 46.0 -14.5 -5.7 260 260 A T H X S+ 0 0 50 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.876 110.1 51.9 -66.9 -33.2 43.8 -17.5 -5.1 261 261 A L H X S+ 0 0 0 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.917 109.0 49.0 -62.8 -45.6 42.0 -15.6 -2.4 262 262 A A H X S+ 0 0 22 -4,-2.5 4,-1.1 2,-0.2 -2,-0.2 0.852 110.5 52.2 -61.3 -37.0 41.4 -12.7 -4.7 263 263 A E H < S+ 0 0 114 -4,-2.1 3,-0.3 1,-0.2 -1,-0.2 0.901 110.5 47.6 -66.9 -38.3 40.1 -15.1 -7.3 264 264 A A H < S+ 0 0 8 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.799 108.9 54.3 -70.0 -33.0 37.7 -16.6 -4.8 265 265 A A H >< S+ 0 0 0 -4,-1.7 3,-3.0 -5,-0.1 -1,-0.2 0.697 88.1 154.6 -74.4 -23.4 36.5 -13.2 -3.6 266 266 A K T 3< + 0 0 156 -4,-1.1 3,-0.1 1,-0.4 -3,-0.0 -0.246 60.0 32.4 -46.5 131.5 35.5 -12.1 -7.2 267 267 A P T 3 S+ 0 0 92 0, 0.0 -1,-0.4 0, 0.0 2,-0.4 -0.917 117.2 69.0 -90.4 20.4 33.5 -10.2 -7.8 268 268 A F S < S- 0 0 9 -3,-3.0 2,-0.2 -6,-0.1 -34,-0.1 -0.785 82.2-119.3 -99.3 146.5 34.5 -8.5 -4.6 269 269 A H - 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0 0 17 -5,-2.6 2,-1.8 -6,-0.2 -1,-0.3 -0.834 37.2-147.4 -84.0 111.2 46.9 -9.0 -9.0 301 301 A D + 0 0 124 -2,-0.8 -31,-0.6 -3,-0.1 2,-0.4 -0.480 56.1 118.1 -83.6 68.9 44.4 -6.4 -7.7 302 302 A A E -k 270 0F 1 -2,-1.8 2,-0.3 -33,-0.1 -31,-0.2 -0.976 54.2-139.8-126.1 138.9 44.5 -7.4 -4.0 303 303 A E E -k 271 0F 20 -33,-2.6 -31,-2.8 -2,-0.4 2,-0.4 -0.746 1.5-141.7-106.8 152.2 45.7 -4.8 -1.4 304 304 A L E -k 272 0F 0 -2,-0.3 22,-2.7 -33,-0.2 23,-1.5 -0.935 11.5-154.1-108.3 138.1 47.8 -5.2 1.6 305 305 A V E -kl 273 327F 0 -33,-2.4 -31,-2.6 -2,-0.4 23,-0.2 -0.933 13.1-136.2-113.4 123.4 47.1 -3.3 4.9 306 306 A A E + l 0 328F 0 21,-2.8 23,-1.5 -2,-0.5 3,-0.1 -0.522 44.5 133.0 -76.2 144.6 50.0 -2.5 7.3 307 307 A D > + 0 0 26 1,-0.4 3,-2.3 -2,-0.2 -1,-0.1 0.148 45.9 73.8-148.1 -76.7 49.5 -3.0 11.0 308 308 A E T 3 S+ 0 0 34 1,-0.3 -1,-0.4 -32,-0.2 -30,-0.1 -0.221 112.7 9.0 -56.2 136.1 52.1 -4.8 13.0 309 309 A W T 3 S+ 0 0 91 1,-0.1 2,-0.8 -3,-0.1 -1,-0.3 0.290 105.7 99.5 76.6 -6.2 55.3 -2.7 13.6 310 310 A C < + 0 0 1 -3,-2.3 -1,-0.1 1,-0.2 19,-0.1 -0.822 42.6 126.3-112.8 93.1 53.6 0.4 12.1 311 311 A N + 0 0 76 -2,-0.8 20,-0.3 19,-0.1 -1,-0.2 0.823 49.8 51.1-117.0 -49.7 52.6 2.4 15.2 312 312 A T S > S- 0 0 51 -3,-0.2 4,-2.6 1,-0.1 5,-0.2 -0.347 85.5-102.9 -95.5 170.7 53.7 5.9 15.4 313 313 A V H > S+ 0 0 29 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.889 125.1 53.9 -55.5 -41.6 53.6 8.8 13.0 314 314 A E H > S+ 0 0 127 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.900 108.5 49.8 -62.7 -38.7 57.3 8.2 12.2 315 315 A D H > S+ 0 0 13 2,-0.2 4,-3.0 1,-0.2 5,-0.3 0.910 107.5 53.7 -62.0 -43.6 56.4 4.5 11.4 316 316 A V H X S+ 0 0 2 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.929 109.7 47.2 -59.9 -42.4 53.6 5.6 9.2 317 317 A K H X S+ 0 0 86 -4,-2.1 4,-3.4 1,-0.2 -1,-0.2 0.916 111.7 52.0 -66.1 -41.4 55.9 7.8 7.2 318 318 A F H X S+ 0 0 36 -4,-2.2 4,-1.2 2,-0.2 -2,-0.2 0.924 112.5 43.8 -58.9 -50.0 58.5 5.0 7.0 319 319 A F H <>S+ 0 0 0 -4,-3.0 5,-2.6 2,-0.2 -1,-0.2 0.892 116.7 48.5 -63.0 -40.5 56.0 2.5 5.7 320 320 A T H ><5S+ 0 0 5 -4,-2.4 3,-1.6 -5,-0.3 -2,-0.2 0.940 108.0 52.8 -62.4 -49.7 54.6 5.1 3.3 321 321 A D H 3<5S+ 0 0 93 -4,-3.4 -1,-0.2 1,-0.3 -2,-0.2 0.773 114.9 42.6 -60.2 -27.4 58.1 6.2 2.0 322 322 A N T 3<5S- 0 0 51 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.271 106.8-121.7-105.3 11.3 58.9 2.5 1.2 323 323 A K T < 5 + 0 0 137 -3,-1.6 2,-1.7 1,-0.2 -3,-0.2 0.894 47.0 172.6 49.9 41.0 55.5 1.6 -0.3 324 324 A A < - 0 0 0 -5,-2.6 -35,-0.3 -6,-0.1 -1,-0.2 -0.566 60.8 -20.8 -85.5 76.9 55.2 -1.1 2.3 325 325 A G S S- 0 0 0 -2,-1.7 -20,-0.2 -37,-0.5 3,-0.1 -0.399 76.6 -96.0 104.6 173.9 51.6 -2.2 1.6 326 326 A H S S+ 0 0 21 -22,-2.7 28,-2.5 1,-0.2 2,-0.3 0.587 103.7 26.3 -98.0 -20.6 48.8 -0.3 -0.1 327 327 A M E -lm 305 354F 0 -23,-1.5 -21,-2.8 26,-0.2 2,-0.4 -0.990 67.0-147.2-146.3 145.4 47.2 1.0 3.0 328 328 A V E -lm 306 355F 0 26,-2.2 28,-2.8 -2,-0.3 2,-0.5 -0.968 19.4-126.7-120.0 134.6 48.3 1.9 6.4 329 329 A Q E - m 0 356F 20 -23,-1.5 2,-0.7 -2,-0.4 28,-0.2 -0.692 17.1-151.5 -79.8 121.0 46.2 1.6 9.6 330 330 A I E - m 0 357F 1 26,-3.7 28,-2.6 -2,-0.5 2,-1.5 -0.900 12.3-147.5 -95.2 113.1 46.2 4.9 11.5 331 331 A K > - 0 0 18 -2,-0.7 4,-1.1 -20,-0.3 3,-0.5 -0.597 13.7-168.1 -92.9 85.4 45.7 3.7 15.2 332 332 A T T >4 S+ 0 0 0 -2,-1.5 3,-0.9 1,-0.2 4,-0.3 0.824 78.2 42.8 -47.7 -52.6 43.7 6.5 16.6 333 333 A P G >4 S+ 0 0 4 0, 0.0 3,-1.2 0, 0.0 -1,-0.2 0.899 112.6 55.6 -66.3 -33.9 43.9 5.9 20.4 334 334 A D G 34 S+ 0 0 42 -3,-0.5 -2,-0.2 1,-0.2 3,-0.1 0.641 95.9 65.0 -70.6 -19.0 47.6 5.0 20.3 335 335 A L G << S- 0 0 12 -4,-1.1 2,-0.7 -3,-0.9 -1,-0.2 0.511 88.1-150.7 -82.1 -4.9 48.7 8.2 18.7 336 336 A G S < S+ 0 0 0 -3,-1.2 -1,-0.3 -4,-0.3 5,-0.1 -0.611 71.1 52.6 70.8-116.5 47.7 10.4 21.6 337 337 A G S > S- 0 0 0 -2,-0.7 3,-1.8 1,-0.1 4,-0.5 -0.314 77.8-136.5 -56.1 133.2 46.8 13.8 20.2 338 338 A V T >> S+ 0 0 0 -207,-0.5 4,-1.3 -206,-0.3 3,-0.7 0.701 100.9 74.3 -70.0 -14.3 44.2 13.6 17.4 339 339 A N H 3> S+ 0 0 2 1,-0.3 4,-2.4 2,-0.2 -1,-0.3 0.829 89.8 59.9 -61.3 -31.3 46.2 16.1 15.5 340 340 A N H <> S+ 0 0 26 -3,-1.8 4,-2.1 1,-0.2 -1,-0.3 0.797 97.7 58.1 -67.4 -33.1 48.6 13.2 14.9 341 341 A I H <> S+ 0 0 0 -3,-0.7 4,-2.4 -4,-0.5 -1,-0.2 0.938 108.0 45.8 -57.1 -51.6 45.8 11.4 13.2 342 342 A A H X S+ 0 0 0 -4,-1.3 4,-2.7 1,-0.2 -2,-0.2 0.914 112.4 49.8 -59.6 -47.4 45.4 14.3 10.7 343 343 A D H X S+ 0 0 51 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.891 112.2 48.9 -59.3 -39.9 49.2 14.6 10.1 344 344 A A H X S+ 0 0 0 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.929 113.4 45.5 -69.0 -45.4 49.5 10.8 9.5 345 345 A I H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.936 112.7 50.7 -62.2 -48.4 46.5 10.7 7.0 346 346 A M H X S+ 0 0 38 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.849 107.7 53.3 -60.6 -38.7 47.8 13.7 5.2 347 347 A Y H X S+ 0 0 59 -4,-2.0 4,-0.8 -5,-0.2 -1,-0.2 0.905 110.5 47.0 -60.2 -46.4 51.3 12.2 4.8 348 348 A C H ><>S+ 0 0 0 -4,-1.9 5,-2.8 2,-0.2 3,-0.9 0.941 112.3 50.9 -58.7 -47.0 49.8 9.0 3.3 349 349 A K H ><5S+ 0 0 93 -4,-2.6 3,-1.1 1,-0.3 -2,-0.2 0.900 109.0 50.0 -59.6 -41.1 47.6 11.1 1.0 350 350 A A H 3<5S+ 0 0 78 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.629 116.8 42.6 -71.9 -14.6 50.6 13.2 -0.2 351 351 A N T <<5S- 0 0 78 -3,-0.9 -1,-0.3 -4,-0.8 -2,-0.2 0.126 114.9-105.6-123.0 21.5 52.5 10.1 -0.9 352 352 A G T < 5S+ 0 0 65 -3,-1.1 2,-0.4 1,-0.2 -3,-0.2 0.753 74.3 132.4 62.1 28.5 50.0 7.8 -2.6 353 353 A M < - 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