==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-SEP-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 21-JUL-12 4G85 . COMPND 2 MOLECULE: HISTIDINE-TRNA LIGASE, CYTOPLASMIC; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR Z.WEI,J.WU,J.J.ZHOU,X.-L.YANG,M.ZHANG,P.SCHIMMEL . 853 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 37232.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 637 74.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 34 4.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 117 13.7 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 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 . 59 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 78 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 303 35.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 17 2.0 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 6 3 0 0 1 3 2 7 2 2 2 0 1 1 0 0 3 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 4 0 2 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 . 6 1 4 2 5 0 3 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 2 0 2 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 51 A K 0 0 170 0, 0.0 2,-0.6 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -12.3 -52.6 22.2 -15.5 2 52 A Q - 0 0 74 0, 0.0 2,-0.3 0, 0.0 0, 0.0 -0.927 360.0-119.3-107.8 118.5 -50.9 24.9 -13.3 3 53 A K - 0 0 195 -2,-0.6 2,-0.4 1,-0.1 0, 0.0 -0.375 29.3-154.8 -55.0 111.9 -48.7 27.5 -15.1 4 54 A F + 0 0 99 -2,-0.3 2,-0.3 475,-0.0 -1,-0.1 -0.799 17.2 178.4 -93.7 135.2 -45.2 27.2 -13.7 5 55 A V - 0 0 77 -2,-0.4 2,-2.0 2,-0.0 475,-0.0 -0.936 40.6-106.8-136.4 150.4 -43.0 30.3 -13.9 6 56 A L + 0 0 46 -2,-0.3 2,-0.2 507,-0.1 -2,-0.0 -0.544 62.3 154.5 -78.6 77.9 -39.4 31.2 -12.9 7 57 A K - 0 0 94 -2,-2.0 470,-0.3 3,-0.0 507,-0.1 -0.549 43.3-136.4 -97.7 166.2 -40.5 33.4 -10.0 8 58 A T - 0 0 20 -2,-0.2 4,-0.4 4,-0.1 3,-0.2 -1.000 52.5 -81.6-122.0 125.4 -38.6 34.3 -6.9 9 59 A P > - 0 0 1 0, 0.0 3,-1.0 0, 0.0 466,-0.1 0.150 60.8 -86.2 -35.5 132.1 -40.9 34.1 -3.8 10 60 A K T 3 S+ 0 0 124 1,-0.2 3,-0.1 97,-0.1 486,-0.0 -0.065 115.0 18.2 -43.0 128.5 -43.1 37.2 -3.4 11 61 A G T 3 S+ 0 0 24 1,-0.2 97,-2.6 -3,-0.2 98,-0.9 0.741 109.1 95.9 79.6 23.7 -41.3 39.9 -1.4 12 62 A T < - 0 0 8 -3,-1.0 2,-0.3 -4,-0.4 -1,-0.2 -0.990 47.3-178.9-145.8 135.4 -37.9 38.4 -2.0 13 63 A R - 0 0 48 -2,-0.3 2,-0.0 96,-0.3 -3,-0.0 -0.948 27.6-115.8-130.6 150.5 -35.2 39.2 -4.6 14 64 A D - 0 0 23 -2,-0.3 2,-0.5 458,-0.1 458,-0.2 -0.264 30.7-115.1 -69.2 170.7 -31.8 37.7 -5.3 15 65 A Y B -A 471 0A 37 456,-3.1 456,-1.2 4,-0.0 -1,-0.0 -0.973 29.6-148.2-107.9 118.5 -28.6 39.8 -4.9 16 66 A S > - 0 0 32 -2,-0.5 4,-2.9 454,-0.2 3,-0.3 -0.374 31.4 -98.0 -77.7 162.6 -26.8 40.3 -8.3 17 67 A P H > S+ 0 0 16 0, 0.0 4,-2.5 0, 0.0 3,-0.2 0.922 126.1 47.2 -47.0 -54.7 -23.0 40.7 -8.5 18 68 A R H > S+ 0 0 43 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.865 113.7 47.6 -57.8 -36.7 -23.3 44.5 -8.6 19 69 A Q H > S+ 0 0 100 -3,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.866 111.0 51.4 -73.3 -32.2 -25.7 44.6 -5.7 20 70 A M H X S+ 0 0 21 -4,-2.9 4,-2.9 449,-0.3 -2,-0.2 0.890 105.6 56.8 -66.1 -40.1 -23.4 42.2 -3.7 21 71 A A H X S+ 0 0 22 -4,-2.5 4,-2.1 -5,-0.3 -2,-0.2 0.911 110.0 44.2 -54.2 -49.3 -20.5 44.5 -4.4 22 72 A V H X S+ 0 0 11 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.950 111.8 50.9 -64.5 -54.3 -22.3 47.4 -2.8 23 73 A R H X S+ 0 0 30 -4,-2.4 4,-3.3 1,-0.2 5,-0.3 0.916 109.5 52.8 -52.3 -46.0 -23.6 45.5 0.2 24 74 A E H X S+ 0 0 92 -4,-2.9 4,-2.1 1,-0.2 -1,-0.2 0.923 108.2 50.1 -52.6 -48.9 -20.0 44.3 0.7 25 75 A K H X S+ 0 0 61 -4,-2.1 4,-1.6 1,-0.2 -1,-0.2 0.898 116.0 43.7 -54.7 -39.7 -18.7 47.9 0.7 26 76 A V H X S+ 0 0 2 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.947 109.9 52.2 -75.2 -51.6 -21.5 48.8 3.2 27 77 A F H X S+ 0 0 25 -4,-3.3 4,-3.0 1,-0.2 5,-0.3 0.866 108.2 54.4 -55.3 -39.4 -21.1 45.8 5.6 28 78 A D H X S+ 0 0 87 -4,-2.1 4,-2.4 -5,-0.3 5,-0.3 0.960 107.4 47.8 -59.7 -50.4 -17.4 46.6 5.8 29 79 A V H X S+ 0 0 38 -4,-1.6 4,-0.8 -5,-0.2 -2,-0.2 0.948 118.0 44.1 -55.2 -47.4 -18.0 50.2 6.9 30 80 A I H >X S+ 0 0 0 -4,-2.5 4,-1.7 2,-0.2 3,-1.1 0.978 119.8 38.0 -54.7 -65.9 -20.5 48.9 9.5 31 81 A I H 3X S+ 0 0 42 -4,-3.0 4,-3.2 1,-0.3 5,-0.3 0.926 108.5 60.3 -60.3 -53.3 -18.6 45.9 10.9 32 82 A R H 3X S+ 0 0 164 -4,-2.4 4,-0.7 -5,-0.3 -1,-0.3 0.806 110.7 47.6 -40.1 -31.7 -15.2 47.6 10.8 33 83 A C H X>S+ 0 0 0 -4,-1.7 3,-1.2 1,-0.2 5,-1.2 0.932 109.3 55.1 -59.8 -43.3 -18.5 47.6 15.5 35 85 A K H ><5S+ 0 0 60 -4,-3.2 3,-0.8 1,-0.3 730,-0.3 0.831 100.8 57.9 -60.1 -31.9 -15.1 46.0 15.7 36 86 A R H 3<5S+ 0 0 36 -4,-0.7 759,-0.7 -5,-0.3 -1,-0.3 0.772 106.7 50.2 -68.7 -25.2 -13.6 49.3 16.8 37 87 A H H <<5S- 0 0 0 -3,-1.2 -1,-0.2 -4,-0.9 -2,-0.2 0.437 118.0-111.0 -95.2 -1.0 -16.0 49.3 19.7 38 88 A G T <<5 + 0 0 3 -3,-0.8 2,-0.2 -4,-0.6 -3,-0.2 0.857 56.3 163.3 81.4 38.0 -15.2 45.8 20.9 39 89 A A < - 0 0 6 -5,-1.2 55,-0.3 53,-0.0 726,-0.3 -0.587 29.6-139.4 -85.9 149.9 -18.3 44.0 20.0 40 90 A E E -b 94 0B 45 53,-4.0 55,-1.8 -2,-0.2 2,-0.4 -0.488 18.7-131.4 -92.5 173.5 -18.6 40.2 19.8 41 91 A V E -b 95 0B 26 53,-0.2 407,-0.3 -2,-0.2 2,-0.3 -0.997 21.4-176.3-134.0 137.6 -20.6 38.6 17.1 42 92 A I - 0 0 8 53,-1.1 2,-0.3 -2,-0.4 55,-0.3 -0.810 13.0-151.0-122.9 161.0 -23.3 35.8 17.3 43 93 A D B -J 443 0C 8 400,-1.3 400,-2.0 -2,-0.3 53,-0.0 -0.926 7.6-167.8-136.1 115.2 -25.4 33.8 14.8 44 94 A T - 0 0 6 -2,-0.3 2,-0.1 398,-0.2 397,-0.1 -0.345 36.8 -99.9 -73.8 167.6 -28.8 32.3 15.6 45 95 A P - 0 0 0 0, 0.0 -1,-0.1 0, 0.0 28,-0.1 -0.475 33.2-106.7 -81.4 174.3 -30.3 29.8 13.2 46 96 A V S S+ 0 0 2 -2,-0.1 27,-2.6 26,-0.1 2,-0.3 0.786 99.9 41.6 -70.5 -30.9 -32.9 31.0 10.6 47 97 A F E -K 72 0D 1 25,-0.2 2,-0.3 390,-0.1 25,-0.2 -0.814 62.6-167.9-119.2 161.6 -35.7 29.2 12.5 48 98 A E E -K 71 0D 1 23,-1.8 23,-2.0 -2,-0.3 2,-0.4 -0.812 45.3 -76.3-130.8 170.6 -36.8 28.8 16.1 49 99 A L E >> -K 70 0D 26 386,-0.3 3,-2.2 -2,-0.3 4,-1.0 -0.640 47.6-123.1 -70.6 129.9 -39.4 26.5 17.8 50 100 A K H >> S+ 0 0 104 19,-3.2 4,-2.2 -2,-0.4 3,-1.2 0.865 109.2 58.1 -41.3 -52.6 -42.8 28.2 17.0 51 101 A E H 3> S+ 0 0 130 18,-0.4 4,-1.8 1,-0.3 -1,-0.3 0.709 98.6 59.3 -53.9 -30.7 -43.6 28.5 20.7 52 102 A T H <4 S+ 0 0 14 -3,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.914 113.3 37.6 -64.3 -41.7 -40.5 30.6 21.4 53 103 A L H << S+ 0 0 7 -3,-1.2 -2,-0.2 -4,-1.0 -1,-0.2 0.858 116.4 50.7 -82.3 -35.8 -41.6 33.2 19.0 54 104 A M H < 0 0 77 -4,-2.2 -2,-0.2 0, 0.0 -3,-0.2 0.950 360.0 360.0 -66.9 -54.0 -45.3 33.1 19.7 55 105 A G < 0 0 86 -4,-1.8 -3,-0.0 -5,-0.2 0, 0.0 0.201 360.0 360.0-104.6 360.0 -45.1 33.5 23.5 56 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 57 112 A K 0 0 124 0, 0.0 46,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -23.8 -49.7 36.3 12.0 58 113 A L + 0 0 90 2,-0.1 45,-1.0 44,-0.1 2,-0.5 -0.118 360.0 111.9 -94.5 36.4 -46.9 37.9 10.0 59 114 A I S S- 0 0 44 43,-0.2 2,-1.0 44,-0.1 43,-0.1 -0.947 70.1-129.1-121.1 122.2 -44.8 34.8 10.8 60 115 A Y - 0 0 5 -2,-0.5 12,-2.5 12,-0.4 2,-0.2 -0.545 29.8-165.6 -71.4 102.1 -43.6 32.2 8.3 61 116 A D B -L 71 0D 16 -2,-1.0 430,-0.9 10,-0.2 2,-0.3 -0.501 12.1-131.0 -80.7 156.1 -44.6 28.8 9.8 62 117 A L B -M 490 0E 11 8,-2.1 428,-0.3 428,-0.3 430,-0.1 -0.758 32.2 -90.8-101.3 154.9 -43.1 25.5 8.4 63 118 A K - 0 0 33 426,-2.5 7,-0.2 -2,-0.3 -1,-0.1 -0.364 34.1-123.5 -61.5 142.7 -45.2 22.4 7.5 64 119 A D > + 0 0 95 1,-0.2 3,-0.9 2,-0.1 -1,-0.1 0.953 40.6 166.0 -50.4 -61.4 -45.7 19.8 10.3 65 120 A Q T 3 S- 0 0 81 1,-0.2 -1,-0.2 4,-0.0 3,-0.1 0.444 75.1 -74.8 48.0 4.6 -44.2 16.8 8.6 66 121 A G T 3 S+ 0 0 60 1,-0.2 -1,-0.2 2,-0.0 3,-0.1 0.067 108.5 87.6 109.5 -25.0 -44.1 15.1 12.0 67 122 A G S < S- 0 0 39 -3,-0.9 -1,-0.2 1,-0.2 2,-0.2 0.378 91.4 -39.2 -79.0-143.8 -41.2 16.7 13.9 68 123 A E - 0 0 50 -3,-0.1 2,-0.8 370,-0.1 -1,-0.2 -0.532 62.6-109.5 -81.7 151.3 -41.2 19.9 16.0 69 124 A L + 0 0 98 -2,-0.2 -19,-3.2 -3,-0.1 -18,-0.4 -0.752 47.0 176.6 -90.2 111.6 -43.2 22.9 14.9 70 125 A L E -K 49 0D 19 -2,-0.8 -8,-2.1 -21,-0.3 2,-0.3 -0.720 17.0-166.2-116.0 159.7 -40.9 25.7 13.7 71 126 A S E -KL 48 61D 0 -23,-2.0 -23,-1.8 -2,-0.2 -10,-0.2 -0.999 32.7 -96.4-146.2 147.0 -41.2 29.2 12.2 72 127 A L E -K 47 0D 0 -12,-2.5 -12,-0.4 -2,-0.3 -25,-0.2 -0.382 48.4 -99.9 -67.2 131.1 -38.8 31.7 10.5 73 128 A R - 0 0 11 -27,-2.6 28,-2.2 1,-0.2 -1,-0.1 -0.172 34.9-176.1 -47.1 130.1 -37.2 34.4 12.8 74 129 A Y S S+ 0 0 65 26,-0.2 2,-0.3 -3,-0.1 -1,-0.2 0.338 70.3 28.1-106.5 2.1 -39.0 37.7 12.3 75 130 A D - 0 0 38 1,-0.0 26,-0.1 37,-0.0 -1,-0.1 -0.939 64.4-137.2-160.1 157.9 -36.7 39.6 14.6 76 131 A L S > S+ 0 0 0 -2,-0.3 4,-0.8 2,-0.1 -32,-0.0 0.546 97.7 62.4-104.5 -8.7 -33.2 39.5 15.7 77 132 A T H > S+ 0 0 16 2,-0.2 4,-3.4 1,-0.2 5,-0.2 0.897 93.7 55.3 -88.1 -43.0 -34.0 40.2 19.4 78 133 A V H > S+ 0 0 11 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.926 111.9 47.0 -57.0 -43.6 -36.1 37.2 20.4 79 134 A P H > S+ 0 0 2 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.843 109.9 55.2 -63.5 -31.1 -33.2 35.0 19.2 80 135 A F H X S+ 0 0 6 -4,-0.8 4,-1.7 2,-0.2 -2,-0.2 0.963 106.6 49.6 -59.8 -51.8 -31.0 37.4 21.2 81 136 A A H X S+ 0 0 1 -4,-3.4 4,-2.0 1,-0.2 3,-0.4 0.919 112.5 47.4 -53.1 -48.0 -33.2 36.7 24.3 82 137 A R H X S+ 0 0 6 -4,-2.3 4,-2.5 1,-0.2 5,-0.2 0.886 107.2 55.6 -62.9 -43.1 -32.9 33.0 23.7 83 138 A Y H X S+ 0 0 19 -4,-2.6 4,-1.0 1,-0.2 -1,-0.2 0.807 110.2 48.5 -58.0 -31.7 -29.1 33.1 23.2 84 139 A L H <>S+ 0 0 7 -4,-1.7 5,-1.6 -3,-0.4 4,-0.3 0.945 112.5 43.2 -77.3 -47.8 -28.9 34.8 26.6 85 140 A A H ><5S+ 0 0 35 -4,-2.0 3,-1.0 1,-0.2 -2,-0.2 0.912 115.2 50.8 -62.5 -42.9 -31.0 32.5 28.7 86 141 A M H 3<5S+ 0 0 75 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.798 116.7 39.9 -67.4 -30.5 -29.5 29.4 27.1 87 142 A N T 3<5S- 0 0 72 -4,-1.0 -1,-0.3 -5,-0.2 -2,-0.2 0.287 106.3-127.7-101.4 8.3 -26.0 30.6 27.8 88 143 A K T < 5 + 0 0 91 -3,-1.0 2,-0.4 -4,-0.3 -3,-0.2 0.939 47.4 169.8 45.0 66.9 -26.8 31.9 31.2 89 144 A L < - 0 0 63 -5,-1.6 -1,-0.2 1,-0.2 3,-0.1 -0.930 36.6-171.1-120.3 132.3 -25.3 35.4 30.6 90 145 A T S S+ 0 0 109 -2,-0.4 2,-0.2 1,-0.2 -1,-0.2 0.966 77.4 4.0 -72.6 -59.5 -25.5 38.6 32.6 91 146 A N + 0 0 83 28,-0.1 28,-0.3 29,-0.1 2,-0.3 -0.768 59.4 165.3-130.1 166.8 -24.0 40.8 30.0 92 147 A I E - C 0 118B 10 26,-2.8 26,-2.6 -2,-0.2 2,-0.4 -0.933 26.2-144.5-173.6 155.1 -22.7 40.9 26.4 93 148 A K E + C 0 117B 21 -2,-0.3 -53,-4.0 24,-0.2 2,-0.3 -0.834 44.0 153.4-130.6 97.7 -21.8 43.4 23.7 94 149 A R E -bC 40 116B 4 22,-1.6 22,-3.8 -2,-0.4 2,-0.3 -0.797 33.2-158.9-126.2 158.8 -22.7 41.8 20.4 95 150 A Y E -bC 41 115B 17 -55,-1.8 -53,-1.1 -2,-0.3 2,-0.4 -0.965 10.9-173.1-130.9 158.2 -23.7 42.6 16.9 96 151 A H E - C 0 114B 8 18,-2.7 18,-1.9 -2,-0.3 2,-0.5 -0.975 5.8-169.9-155.8 124.6 -25.5 40.4 14.5 97 152 A I E + C 0 113B 32 -2,-0.4 2,-0.3 -55,-0.3 16,-0.2 -0.915 32.8 127.0-127.5 101.3 -26.2 41.0 10.8 98 153 A A E - C 0 112B 10 14,-2.3 14,-3.4 -2,-0.5 12,-0.1 -0.979 56.4 -84.5-152.6 165.5 -28.7 38.6 9.2 99 154 A K E - C 0 111B 16 -2,-0.3 2,-0.3 12,-0.3 12,-0.2 -0.320 38.3-160.8 -72.5 150.0 -31.8 38.2 7.1 100 155 A V E - C 0 110B 0 10,-1.3 10,-1.3 -26,-0.1 2,-0.5 -0.862 10.5-131.2-131.1 162.6 -35.2 38.2 8.7 101 156 A Y E + C 0 109B 6 -28,-2.2 2,-0.4 -2,-0.3 -41,-0.3 -0.959 27.8 162.3-131.5 118.2 -38.6 37.0 7.6 102 157 A R - 0 0 99 6,-0.9 2,-1.9 -2,-0.5 -43,-0.2 -0.942 33.4-142.1-137.2 109.1 -41.9 39.0 7.7 103 158 A R + 0 0 57 -45,-1.0 5,-0.1 -2,-0.4 -44,-0.1 -0.515 49.5 166.4 -70.2 84.8 -45.0 38.1 5.7 104 159 A D 0 0 32 -2,-1.9 4,-0.1 3,-0.2 -2,-0.0 -0.232 360.0 360.0-101.6-178.9 -45.9 41.8 5.0 105 160 A N 0 0 199 -2,-0.1 -1,-0.0 2,-0.1 -2,-0.0 -0.963 360.0 360.0-124.1 360.0 -48.1 44.0 2.8 106 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 107 168 A Y 0 0 169 0, 0.0 -3,-0.2 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0 162.8 -40.1 43.1 2.0 108 169 A R + 0 0 18 -97,-2.6 -6,-0.9 1,-0.3 2,-0.3 0.380 360.0 37.4-123.0 -9.0 -40.4 39.6 3.4 109 170 A E E S+C 101 0B 8 -98,-0.9 2,-0.4 -8,-0.2 -96,-0.3 -0.764 77.7 153.6-145.4 100.7 -36.8 38.8 3.5 110 171 A F E -C 100 0B 33 -10,-1.3 -10,-1.3 -2,-0.3 -12,-0.1 -0.994 44.8-107.5-138.1 132.8 -34.6 41.6 4.5 111 172 A Y E -C 99 0B 32 -2,-0.4 203,-0.5 -12,-0.2 2,-0.4 -0.329 30.7-162.1 -50.9 121.2 -31.2 42.0 6.1 112 173 A Q E -C 98 0B 39 -14,-3.4 -14,-2.3 201,-0.1 2,-0.4 -0.932 6.4-172.8-108.6 147.7 -31.3 43.2 9.6 113 174 A C E +C 97 0B 0 -2,-0.4 198,-2.4 198,-0.3 2,-0.3 -0.820 15.6 159.1-139.7 88.9 -28.2 44.5 11.3 114 175 A D E -CD 96 310B 7 -18,-1.9 -18,-2.7 -2,-0.4 2,-0.4 -0.848 23.1-160.5-120.1 160.3 -28.2 45.4 14.9 115 176 A F E -CD 95 309B 0 194,-2.6 194,-2.0 -2,-0.3 2,-0.4 -0.968 17.9-167.3-129.5 139.9 -25.7 45.8 17.7 116 177 A D E -CD 94 308B 4 -22,-3.8 -22,-1.6 -2,-0.4 2,-0.7 -0.987 23.8-154.3-139.9 144.0 -26.5 45.6 21.3 117 178 A I E +CD 93 307B 2 190,-2.8 190,-2.0 -2,-0.4 2,-0.4 -0.941 24.6 177.9-108.8 108.8 -25.2 46.3 24.8 118 179 A A E +CD 92 306B 0 -26,-2.6 -26,-2.8 -2,-0.7 2,-0.3 -0.911 33.0 80.3-109.3 141.0 -26.8 44.1 27.3 119 180 A G S S- 0 0 4 186,-2.0 2,-0.7 -2,-0.4 -28,-0.1 -0.833 79.4 -81.7 144.7 174.0 -25.7 44.3 30.9 120 181 A N + 0 0 125 -2,-0.3 2,-0.1 184,-0.1 -29,-0.1 -0.809 63.1 142.8-118.9 87.6 -26.2 46.2 34.1 121 182 A F - 0 0 73 -2,-0.7 679,-0.2 2,-0.1 -2,-0.1 -0.203 53.9 -66.9-113.4-166.6 -23.9 49.3 34.0 122 183 A D > - 0 0 54 677,-2.1 3,-0.9 -2,-0.1 -1,-0.1 -0.760 69.8 -71.1 -96.3 149.8 -24.3 53.0 35.2 123 184 A P T 3 S- 0 0 77 0, 0.0 4,-0.3 0, 0.0 -2,-0.1 0.318 104.8 -6.9 1.6 -91.9 -26.8 55.4 33.6 124 185 A M T 3> S+ 0 0 3 1,-0.1 4,-3.0 2,-0.1 5,-0.2 0.488 94.6 100.8-113.1 0.8 -26.0 56.6 30.1 125 186 A I H <> S+ 0 0 0 -3,-0.9 4,-2.5 1,-0.2 5,-0.2 0.881 90.2 42.6 -57.9 -47.2 -22.6 55.3 29.1 126 187 A P H > S+ 0 0 2 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.957 115.5 50.5 -58.5 -45.5 -23.8 52.4 26.9 127 188 A D H > S+ 0 0 1 -4,-0.3 4,-1.4 1,-0.2 -2,-0.2 0.868 112.9 46.5 -66.0 -34.1 -26.5 54.6 25.4 128 189 A A H >X S+ 0 0 0 -4,-3.0 4,-2.4 2,-0.2 3,-0.6 0.952 109.1 52.7 -65.9 -50.9 -24.0 57.2 24.6 129 190 A E H 3X S+ 0 0 1 -4,-2.5 4,-1.1 1,-0.3 -2,-0.2 0.777 107.0 58.3 -60.5 -22.8 -21.6 54.7 23.1 130 191 A C H 3X S+ 0 0 0 -4,-2.0 4,-1.5 2,-0.2 -1,-0.3 0.897 106.6 43.1 -70.0 -45.2 -24.6 53.6 21.0 131 192 A L H > -E 273 0B 1 121,-0.3 3,-2.9 -2,-0.3 4,-1.1 -0.950 14.8-135.8-145.3 124.9 -37.3 59.1 26.1 153 214 A R H 3> S+ 0 0 60 119,-2.8 4,-2.5 -2,-0.3 5,-0.2 0.828 103.5 64.0 -45.9 -42.0 -40.4 57.0 26.8 154 215 A R H 3> S+ 0 0 47 117,-0.2 4,-1.3 1,-0.2 -1,-0.3 0.731 102.0 50.8 -57.0 -26.1 -40.6 58.4 30.3 155 216 A I H <> S+ 0 0 4 -3,-2.9 4,-4.4 2,-0.2 5,-0.3 0.947 109.0 47.3 -78.3 -52.8 -41.3 61.9 28.9 156 217 A L H X S+ 0 0 1 -4,-1.1 4,-2.4 1,-0.2 5,-0.3 0.899 113.5 50.6 -49.5 -44.6 -44.0 61.0 26.5 157 218 A D H X S+ 0 0 23 -4,-2.5 4,-1.4 -5,-0.2 -1,-0.2 0.915 118.1 39.3 -62.2 -42.3 -45.6 59.0 29.3 158 219 A G H X S+ 0 0 0 -4,-1.3 4,-2.5 -5,-0.2 -2,-0.2 0.952 115.4 49.3 -71.9 -53.4 -45.3 62.0 31.6 159 220 A M H X S+ 0 0 3 -4,-4.4 4,-1.8 1,-0.2 -3,-0.2 0.854 112.2 47.4 -60.4 -39.5 -46.2 64.7 29.1 160 221 A F H X>S+ 0 0 1 -4,-2.4 4,-2.4 -5,-0.3 5,-1.6 0.934 112.2 50.1 -66.7 -44.5 -49.3 63.0 27.8 161 222 A A H <5S+ 0 0 66 -4,-1.4 -2,-0.2 -5,-0.3 -1,-0.2 0.866 110.8 50.0 -63.2 -38.7 -50.6 62.3 31.4 162 223 A I H <5S+ 0 0 56 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.871 111.5 48.3 -62.1 -40.8 -50.0 66.0 32.3 163 224 A C H <5S- 0 0 3 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.816 122.6-107.4 -73.5 -31.3 -51.9 67.1 29.2 164 225 A G T <5 + 0 0 43 -4,-2.4 2,-0.4 1,-0.2 -3,-0.2 0.836 58.1 156.7 108.7 49.9 -54.7 64.8 30.0 165 226 A V < - 0 0 12 -5,-1.6 -1,-0.2 1,-0.1 5,-0.0 -0.859 41.0-117.4 -99.4 140.7 -54.8 61.8 27.7 166 227 A S > - 0 0 68 -2,-0.4 4,-0.8 1,-0.1 -1,-0.1 -0.026 18.7-119.6 -60.3 171.9 -56.5 58.6 28.8 167 228 A D H > S+ 0 0 144 2,-0.2 4,-0.7 3,-0.1 -1,-0.1 0.908 116.5 46.9 -82.5 -47.4 -54.6 55.4 29.1 168 229 A S H >4 S+ 0 0 112 1,-0.2 3,-0.8 2,-0.2 4,-0.5 0.971 117.6 44.8 -49.9 -56.4 -56.7 53.6 26.6 169 230 A K H 3> S+ 0 0 13 1,-0.2 4,-1.8 2,-0.1 3,-0.4 0.784 94.4 88.0 -59.0 -30.0 -56.3 56.7 24.3 170 231 A F H 3X S+ 0 0 31 -4,-0.8 4,-1.8 1,-0.2 5,-0.2 0.797 84.7 46.7 -40.7 -54.0 -52.6 56.8 25.1 171 232 A R H S+ 0 0 60 -4,-0.5 4,-1.5 -3,-0.4 -1,-0.2 0.808 108.1 59.1 -63.2 -29.8 -53.2 55.9 19.4 173 234 A I H X S+ 0 0 0 -4,-1.8 4,-1.1 2,-0.2 3,-0.2 0.921 109.2 40.8 -72.6 -40.7 -52.3 59.5 20.4 174 235 A C H X S+ 0 0 0 -4,-1.8 4,-2.0 1,-0.2 5,-0.3 0.859 107.1 66.5 -69.0 -29.6 -48.6 58.9 20.2 175 236 A S H X S+ 0 0 61 -4,-1.8 4,-0.5 1,-0.3 -2,-0.2 0.865 105.8 42.0 -56.9 -37.0 -49.3 56.9 17.1 176 237 A S H < S+ 0 0 1 -4,-1.5 -1,-0.3 -3,-0.2 -2,-0.2 0.682 110.9 54.4 -86.2 -17.2 -50.4 60.2 15.5 177 238 A V H >< S+ 0 0 0 -4,-1.1 3,-0.5 1,-0.2 -2,-0.2 0.688 104.7 54.5 -85.0 -14.2 -47.6 62.3 16.9 178 239 A D H >< S+ 0 0 42 -4,-2.0 3,-0.8 86,-0.2 4,-0.3 0.745 99.8 62.5 -81.4 -22.4 -45.1 59.9 15.5 179 240 A K T 3X S+ 0 0 106 -4,-0.5 4,-1.4 -5,-0.3 3,-0.4 0.552 83.5 87.6 -67.5 -7.6 -47.0 60.6 12.2 180 241 A L T <4 S+ 0 0 29 -3,-0.5 -1,-0.2 82,-0.3 -2,-0.1 0.695 70.5 66.2 -77.1 -22.0 -45.8 64.2 12.7 181 242 A D T <4 S+ 0 0 85 -3,-0.8 -1,-0.2 1,-0.2 -2,-0.1 0.941 113.7 33.8 -55.3 -49.3 -42.4 63.9 10.9 182 243 A K T 4 S+ 0 0 87 -3,-0.4 -2,-0.2 -4,-0.3 -1,-0.2 0.797 122.6 46.5 -78.4 -32.5 -44.1 63.3 7.6 183 244 A V S < S- 0 0 46 -4,-1.4 2,-0.2 1,-0.1 3,-0.0 -0.549 84.4 -98.2-116.7 171.5 -47.2 65.5 8.2 184 245 A S >> - 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