==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 24-JUL-12 2LW7 . COMPND 2 MOLECULE: HISTIDINE--TRNA LIGASE, CYTOPLASMIC; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR F.YE,Z.WEI,J.WU,P.SCHIMMEL,M.ZHANG . 170 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13378.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 102 60.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 4.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 2.9 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.6 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 . 7 4.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 4 2.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 68 40.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 4.1 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 0 0 1 0 0 1 0 1 0 1 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 0 0 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 PARALLEL BRIDGES PER LADDER . 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 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 1 A A > 0 0 117 0, 0.0 4,-0.6 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 129.9 -22.6 13.6 -23.0 2 2 A E H > + 0 0 179 2,-0.1 4,-2.0 3,-0.1 5,-0.2 0.916 360.0 36.7 -88.2 -53.6 -23.1 15.8 -20.0 3 3 A R H > S+ 0 0 181 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.896 115.9 55.7 -66.4 -40.9 -21.1 18.9 -21.0 4 4 A A H > S+ 0 0 58 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.915 108.6 47.7 -58.0 -45.3 -22.2 18.5 -24.6 5 5 A A H X S+ 0 0 59 -4,-0.6 4,-1.5 2,-0.2 -1,-0.2 0.949 115.0 44.0 -61.7 -51.1 -25.8 18.6 -23.7 6 6 A L H X S+ 0 0 19 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.885 108.7 58.8 -62.3 -38.5 -25.5 21.6 -21.5 7 7 A E H X S+ 0 0 103 -4,-3.1 4,-2.0 1,-0.3 -1,-0.2 0.895 108.1 46.1 -57.5 -38.9 -23.3 23.3 -24.1 8 8 A E H X S+ 0 0 100 -4,-1.8 4,-2.0 1,-0.2 -1,-0.3 0.800 108.3 57.2 -72.5 -29.0 -26.2 23.0 -26.5 9 9 A L H X S+ 0 0 84 -4,-1.5 4,-1.1 2,-0.2 -2,-0.2 0.838 107.5 48.1 -70.0 -33.1 -28.5 24.3 -23.7 10 10 A V H X S+ 0 0 15 -4,-2.2 4,-3.1 2,-0.2 5,-0.3 0.948 109.1 51.2 -71.7 -50.8 -26.4 27.4 -23.5 11 11 A K H X S+ 0 0 122 -4,-2.0 4,-1.9 1,-0.3 -2,-0.2 0.935 117.3 39.5 -51.8 -52.1 -26.4 28.1 -27.2 12 12 A L H X S+ 0 0 60 -4,-2.0 4,-1.6 1,-0.2 -1,-0.3 0.773 113.9 57.6 -69.8 -25.8 -30.1 27.8 -27.4 13 13 A Q H X S+ 0 0 19 -4,-1.1 4,-2.3 -5,-0.2 5,-0.2 0.894 109.1 43.2 -71.5 -41.0 -30.4 29.6 -24.1 14 14 A G H X S+ 0 0 18 -4,-3.1 4,-2.0 2,-0.2 5,-0.3 0.873 114.3 49.7 -72.5 -37.9 -28.6 32.7 -25.4 15 15 A E H X S+ 0 0 118 -4,-1.9 4,-1.8 -5,-0.3 -2,-0.2 0.853 116.2 43.1 -68.9 -35.7 -30.4 32.8 -28.7 16 16 A R H X S+ 0 0 170 -4,-1.6 4,-3.2 2,-0.2 5,-0.4 0.963 115.0 46.2 -74.3 -55.1 -33.8 32.5 -27.0 17 17 A V H X S+ 0 0 8 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.909 121.1 39.1 -54.3 -47.4 -33.2 34.9 -24.2 18 18 A R H X S+ 0 0 180 -4,-2.0 4,-1.9 -5,-0.2 5,-0.3 0.939 117.2 48.8 -70.3 -48.2 -31.6 37.5 -26.5 19 19 A G H X S+ 0 0 23 -4,-1.8 4,-2.0 -5,-0.3 5,-0.2 0.871 119.9 38.3 -59.9 -38.7 -34.1 36.9 -29.4 20 20 A L H X>S+ 0 0 13 -4,-3.2 4,-3.0 2,-0.2 5,-0.8 0.844 107.6 63.8 -81.1 -36.0 -37.0 37.1 -27.1 21 21 A K H <5S+ 0 0 118 -4,-2.3 4,-0.3 -5,-0.4 -2,-0.2 0.897 115.1 33.0 -53.3 -42.8 -35.6 40.0 -25.0 22 22 A Q H <5S+ 0 0 161 -4,-1.9 -2,-0.2 2,-0.1 -1,-0.2 0.924 130.8 30.1 -81.2 -51.9 -35.7 42.1 -28.0 23 23 A Q H <5S+ 0 0 167 -4,-2.0 -3,-0.2 -5,-0.3 -2,-0.2 0.763 138.3 19.3 -86.9 -21.9 -38.8 40.9 -29.9 24 24 A K T <5S- 0 0 126 -4,-3.0 -3,-0.2 -5,-0.2 -1,-0.1 0.283 86.8-160.6-128.4 13.2 -41.0 39.7 -27.0 25 25 A A < + 0 0 57 -5,-0.8 -1,-0.2 -4,-0.3 -3,-0.1 -0.037 27.0 154.9 44.1-145.2 -39.4 41.5 -24.1 26 26 A S >> - 0 0 31 3,-0.1 4,-3.7 -5,-0.1 3,-1.0 0.930 27.7-160.9 88.6 68.1 -40.3 40.0 -20.6 27 27 A A H 3> S+ 0 0 68 1,-0.3 4,-2.9 2,-0.2 5,-0.2 0.766 93.5 60.3 -47.2 -27.1 -37.5 41.0 -18.2 28 28 A E H 3> S+ 0 0 145 2,-0.2 4,-1.5 3,-0.2 -1,-0.3 0.934 113.6 32.6 -68.7 -46.1 -38.8 38.0 -16.2 29 29 A L H <> S+ 0 0 69 -3,-1.0 4,-2.3 2,-0.2 -2,-0.2 0.873 121.7 51.2 -76.2 -38.8 -38.1 35.5 -18.9 30 30 A I H X S+ 0 0 16 -4,-3.7 4,-2.5 2,-0.2 -2,-0.2 0.925 113.3 43.8 -63.2 -47.3 -35.1 37.4 -20.1 31 31 A E H X S+ 0 0 136 -4,-2.9 4,-1.9 -5,-0.3 -1,-0.2 0.852 113.4 52.4 -67.3 -35.9 -33.6 37.6 -16.6 32 32 A E H X S+ 0 0 110 -4,-1.5 4,-1.8 -5,-0.2 -2,-0.2 0.890 114.1 41.6 -67.9 -40.9 -34.4 34.0 -16.0 33 33 A E H X S+ 0 0 25 -4,-2.3 4,-2.6 2,-0.2 5,-0.2 0.911 112.4 53.0 -74.1 -43.8 -32.7 32.8 -19.1 34 34 A V H X S+ 0 0 51 -4,-2.5 4,-2.8 2,-0.2 -2,-0.2 0.936 112.6 45.3 -57.1 -47.3 -29.7 35.1 -18.8 35 35 A A H X S+ 0 0 51 -4,-1.9 4,-2.1 1,-0.2 5,-0.3 0.937 114.7 47.2 -61.3 -47.4 -29.0 33.8 -15.3 36 36 A K H X S+ 0 0 69 -4,-1.8 4,-1.5 1,-0.2 -1,-0.2 0.822 114.0 49.7 -63.4 -30.9 -29.6 30.2 -16.4 37 37 A L H X S+ 0 0 26 -4,-2.6 4,-3.0 2,-0.2 5,-0.3 0.882 105.8 55.7 -74.7 -40.2 -27.3 30.9 -19.3 38 38 A L H X S+ 0 0 91 -4,-2.8 4,-1.8 1,-0.2 -2,-0.2 0.949 113.4 39.7 -57.1 -52.1 -24.6 32.4 -17.2 39 39 A K H X S+ 0 0 110 -4,-2.1 4,-1.6 2,-0.2 -1,-0.2 0.871 113.4 57.5 -66.0 -36.7 -24.3 29.4 -15.0 40 40 A L H X S+ 0 0 17 -4,-1.5 4,-2.1 -5,-0.3 3,-0.5 0.954 108.1 44.4 -58.3 -53.2 -24.7 27.1 -18.0 41 41 A K H X S+ 0 0 101 -4,-3.0 4,-1.5 1,-0.3 -1,-0.2 0.868 115.5 49.1 -60.2 -37.1 -21.7 28.6 -19.8 42 42 A A H < S+ 0 0 48 -4,-1.8 -1,-0.3 -5,-0.3 -2,-0.2 0.725 108.1 57.0 -74.6 -22.1 -19.7 28.5 -16.5 43 43 A Q H < S+ 0 0 137 -4,-1.6 -2,-0.2 -3,-0.5 -1,-0.2 0.969 109.9 39.3 -72.8 -56.7 -20.8 24.8 -16.1 44 44 A L H < S- 0 0 36 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.1 0.855 143.9 -41.1 -62.5 -35.8 -19.5 23.4 -19.4 45 45 A G < - 0 0 33 -4,-1.5 -2,-0.2 -5,-0.3 -1,-0.2 -0.228 44.5-163.5 164.1 101.0 -16.4 25.6 -19.0 46 46 A P S S- 0 0 82 0, 0.0 2,-0.3 0, 0.0 -4,-0.1 0.906 84.9 -4.0 -61.2 -43.6 -16.0 29.2 -17.9 47 47 A D - 0 0 95 -5,-0.1 3,-0.5 1,-0.1 4,-0.3 -0.988 50.4-147.0-154.1 142.9 -12.5 29.5 -19.4 48 48 A E S > S+ 0 0 179 -2,-0.3 3,-1.1 1,-0.2 -1,-0.1 0.792 97.1 70.8 -78.5 -29.8 -10.0 27.2 -21.1 49 49 A S T 3 S+ 0 0 102 1,-0.2 -1,-0.2 3,-0.0 0, 0.0 0.721 79.6 81.4 -59.2 -20.9 -7.0 29.0 -19.6 50 50 A K T 3 S+ 0 0 144 -3,-0.5 -1,-0.2 2,-0.0 -2,-0.2 0.919 77.1 79.6 -51.0 -49.7 -8.1 27.4 -16.3 51 51 A Q < - 0 0 123 -3,-1.1 2,-0.3 -4,-0.3 4,-0.1 -0.210 68.6-162.1 -60.0 151.2 -6.4 24.1 -17.2 52 52 A K + 0 0 169 2,-0.1 -2,-0.0 1,-0.1 -1,-0.0 -0.975 62.3 17.5-138.8 152.2 -2.6 24.0 -16.7 53 53 A F S S- 0 0 210 -2,-0.3 -1,-0.1 2,-0.0 -2,-0.0 0.683 113.4 -91.9 62.9 17.5 0.2 21.7 -18.0 54 54 A V - 0 0 110 -3,-0.0 -2,-0.1 2,-0.0 3,-0.1 0.342 50.6 -82.0 59.1 159.7 -2.2 20.5 -20.7 55 55 A L - 0 0 116 1,-0.2 -2,-0.0 -4,-0.1 0, 0.0 -0.209 62.8 -60.9 -86.1-179.4 -4.4 17.5 -20.3 56 56 A K - 0 0 180 -2,-0.1 -1,-0.2 1,-0.0 -2,-0.0 -0.178 54.8-174.3 -60.5 155.6 -3.6 13.8 -20.8 57 57 A T - 0 0 106 -3,-0.1 -1,-0.0 0, 0.0 2,-0.0 -0.974 23.2-113.1-156.2 139.4 -2.4 12.7 -24.2 58 58 A P + 0 0 102 0, 0.0 5,-0.1 0, 0.0 4,-0.1 -0.263 25.9 179.8 -70.3 158.8 -1.6 9.3 -25.9 59 59 A K - 0 0 203 3,-0.5 3,-0.1 2,-0.1 4,-0.1 0.616 49.9 -76.4-121.3 -76.0 1.9 8.4 -27.0 60 60 A A S S+ 0 0 83 2,-0.5 2,-0.5 1,-0.4 0, 0.0 0.128 102.9 55.4-156.0 -76.4 2.3 5.0 -28.6 61 61 A L S S- 0 0 145 -3,-0.0 -1,-0.4 2,-0.0 -2,-0.1 -0.652 114.5 -19.3 -80.1 122.4 2.4 1.9 -26.5 62 62 A E - 0 0 158 -2,-0.5 -3,-0.5 1,-0.1 -2,-0.5 0.367 57.5-134.7 60.8 156.5 -0.8 1.6 -24.3 63 63 A E S S+ 0 0 166 -5,-0.1 2,-0.3 2,-0.1 -1,-0.1 0.096 77.9 29.8-131.2 20.0 -3.0 4.5 -23.5 64 64 A K S S- 0 0 179 -6,-0.0 -1,-0.1 0, 0.0 0, 0.0 -0.977 83.7 -85.4-166.4 170.9 -3.5 4.0 -19.7 65 65 A I - 0 0 110 -2,-0.3 2,-0.3 -3,-0.1 -2,-0.1 -0.114 37.4-133.0 -77.7 180.0 -2.0 2.7 -16.5 66 66 A R + 0 0 175 27,-0.1 2,-0.3 2,-0.0 -1,-0.0 -0.991 24.1 168.3-140.3 147.3 -2.1 -0.9 -15.3 67 67 A T + 0 0 51 -2,-0.3 32,-0.1 31,-0.1 33,-0.0 -0.840 35.6 97.7-161.7 118.8 -2.9 -2.6 -12.0 68 68 A T S S+ 0 0 113 -2,-0.3 32,-0.1 30,-0.1 -1,-0.0 0.197 83.7 45.2-163.6 -55.3 -3.6 -6.3 -11.2 69 69 A E S S+ 0 0 135 30,-0.1 29,-0.1 2,-0.0 2,-0.1 -0.022 76.6 162.3 -94.5 29.3 -0.5 -8.1 -9.8 70 70 A T - 0 0 24 1,-0.2 29,-0.2 27,-0.1 -3,-0.0 -0.292 22.0-174.5 -54.2 123.0 0.3 -5.3 -7.5 71 71 A Q + 0 0 60 27,-0.4 52,-1.7 51,-0.1 2,-0.3 0.606 68.1 34.4 -94.6 -16.3 2.6 -6.5 -4.8 72 72 A V E -ab 99 123A 1 26,-0.6 28,-0.8 50,-0.2 2,-0.3 -0.854 61.4-155.5-134.0 170.2 2.5 -3.2 -2.8 73 73 A L E - b 0 124A 1 50,-0.8 52,-2.6 -2,-0.3 2,-0.6 -0.900 3.8-167.2-152.8 117.8 0.1 -0.4 -2.0 74 74 A V E + b 0 125A 0 -2,-0.3 2,-0.2 50,-0.3 52,-0.2 -0.915 24.4 150.7-112.1 112.7 1.0 3.2 -1.0 75 75 A A E - b 0 126A 1 50,-2.6 52,-1.6 -2,-0.6 2,-0.3 -0.708 29.2-134.4-128.5 179.7 -1.8 5.3 0.5 76 76 A S E - b 0 127A 3 -2,-0.2 52,-0.2 50,-0.2 2,-0.1 -0.890 11.0-130.5-135.4 165.5 -2.2 8.3 2.9 77 77 A A + 0 0 45 50,-0.6 8,-0.1 -2,-0.3 -1,-0.0 -0.264 61.2 68.1-102.9-168.5 -4.4 9.3 5.8 78 78 A Q S S- 0 0 111 -2,-0.1 -2,-0.1 50,-0.0 0, 0.0 0.685 88.9 -82.5 63.5 127.9 -6.4 12.4 6.7 79 79 A K S S+ 0 0 146 2,-0.1 2,-0.3 3,-0.0 -2,-0.1 -0.269 71.9 124.9 -59.9 143.4 -9.4 13.3 4.6 80 80 A K S S- 0 0 125 3,-0.0 -2,-0.0 4,-0.0 -1,-0.0 -0.923 73.6 -69.4-172.9-165.2 -8.7 15.2 1.4 81 81 A L - 0 0 140 -2,-0.3 -2,-0.1 1,-0.0 0, 0.0 0.057 69.3-107.5 -96.3 24.2 -9.2 15.2 -2.4 82 82 A L S > S+ 0 0 57 1,-0.1 4,-1.5 3,-0.1 5,-0.1 0.728 85.4 129.1 57.8 21.3 -6.9 12.2 -2.8 83 83 A E H > S+ 0 0 102 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.918 73.1 40.9 -71.6 -44.5 -4.4 14.6 -4.3 84 84 A E H > S+ 0 0 22 2,-0.2 4,-2.2 1,-0.2 5,-0.3 0.887 115.5 51.1 -70.4 -39.9 -1.5 13.5 -2.1 85 85 A R H > S+ 0 0 23 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.835 111.8 48.1 -66.0 -33.2 -2.5 9.8 -2.4 86 86 A L H X S+ 0 0 101 -4,-1.5 4,-1.4 3,-0.2 -1,-0.2 0.814 110.6 51.8 -76.8 -32.0 -2.5 10.2 -6.2 87 87 A K H X S+ 0 0 112 -4,-1.6 4,-2.0 2,-0.2 -2,-0.2 0.965 117.3 35.2 -69.3 -54.1 0.9 12.0 -6.3 88 88 A L H X S+ 0 0 10 -4,-2.2 4,-3.0 2,-0.2 5,-0.3 0.943 118.0 51.9 -66.2 -48.4 2.8 9.4 -4.2 89 89 A V H X>S+ 0 0 11 -4,-1.7 4,-2.9 -5,-0.3 5,-0.5 0.865 108.2 55.0 -56.1 -36.3 0.9 6.4 -5.7 90 90 A S H X>S+ 0 0 56 -4,-1.4 4,-2.9 3,-0.2 5,-0.6 0.965 111.5 41.1 -61.7 -54.5 1.7 7.8 -9.1 91 91 A E H X>S+ 0 0 96 -4,-2.0 4,-2.6 3,-0.2 5,-0.9 0.949 124.0 39.3 -58.8 -51.2 5.5 7.9 -8.5 92 92 A L H X5S+ 0 0 0 -4,-3.0 4,-1.9 3,-0.2 -2,-0.2 0.988 123.2 38.5 -61.8 -64.1 5.5 4.6 -6.7 93 93 A Q H <5S+ 0 0 27 -4,-2.9 -3,-0.2 -5,-0.3 -2,-0.2 0.905 127.6 35.7 -54.4 -48.8 3.0 2.8 -8.9 94 94 A D H < S+ 0 0 111 0, 0.0 3,-0.8 0, 0.0 2,-0.2 0.941 80.2 18.8 -73.7 -91.9 -15.5 0.8 9.8 108 108 A K T 3 S+ 0 0 158 1,-0.2 5,-0.1 2,-0.1 0, 0.0 -0.532 135.7 6.1 -83.7 150.6 -12.5 2.6 11.4 109 109 A L T 3>>S+ 0 0 80 -2,-0.2 4,-3.2 1,-0.1 5,-0.7 0.827 81.1 162.3 47.6 32.9 -9.4 3.4 9.3 110 110 A L H <>5 + 0 0 61 -3,-0.8 4,-1.1 -4,-0.2 5,-0.4 0.860 68.6 44.7 -49.0 -42.9 -11.4 2.1 6.4 111 111 A N H >5S+ 0 0 12 3,-0.2 4,-2.0 2,-0.2 5,-0.3 0.998 122.2 31.7 -67.1 -68.8 -9.1 3.7 3.9 112 112 A Q H >5S+ 0 0 18 2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.887 128.7 40.0 -57.5 -45.8 -5.6 2.9 5.4 113 113 A L H X5S+ 0 0 43 -4,-3.2 4,-3.3 2,-0.2 5,-0.5 0.966 114.4 48.5 -72.0 -56.2 -6.7 -0.5 6.8 114 114 A Q H XXS+ 0 0 22 -4,-1.1 4,-1.6 -5,-0.7 5,-1.0 0.880 118.6 42.0 -53.0 -42.1 -9.0 -1.8 4.0 115 115 A Y H X>S+ 0 0 0 -4,-2.0 5,-3.3 -13,-0.4 4,-0.7 0.947 118.5 42.9 -71.6 -51.0 -6.4 -1.0 1.4 116 116 A C H <5S+ 0 0 2 -4,-1.9 -2,-0.2 -5,-0.3 -3,-0.2 0.908 122.7 38.4 -62.8 -45.0 -3.3 -2.2 3.3 117 117 A E H <5S+ 0 0 129 -4,-3.3 -3,-0.2 -5,-0.2 -2,-0.2 0.973 132.2 22.6 -71.0 -58.2 -5.0 -5.4 4.6 118 118 A E H <5S+ 0 0 132 -4,-1.6 3,-0.5 -5,-0.5 -3,-0.2 0.945 138.1 26.1 -76.2 -54.2 -7.1 -6.4 1.5 119 119 A A T <> - 0 0 9 -52,-0.2 4,-4.1 -44,-0.1 3,-0.9 -0.014 38.0-132.2 142.9 109.9 1.6 11.9 3.5 129 129 A E H 3> S+ 0 0 93 1,-0.3 4,-1.8 2,-0.2 5,-0.2 0.859 114.8 51.3 -45.6 -40.5 2.9 15.3 2.5 130 130 A Q H 3> S+ 0 0 114 2,-0.2 4,-2.0 1,-0.2 5,-0.5 0.870 115.7 40.8 -66.4 -36.9 1.9 16.5 6.0 131 131 A E H <> S+ 0 0 85 -3,-0.9 4,-2.7 3,-0.2 -2,-0.2 0.919 109.2 58.6 -76.5 -45.7 3.8 13.5 7.5 132 132 A L H < S+ 0 0 64 -4,-4.1 -2,-0.2 3,-0.2 -1,-0.2 0.862 115.5 37.2 -52.0 -39.1 6.7 13.7 5.2 133 133 A K H < S+ 0 0 140 -4,-1.8 -2,-0.2 -5,-0.3 -1,-0.2 0.972 133.4 21.2 -79.8 -60.2 7.3 17.3 6.4 134 134 A D H < S- 0 0 124 -4,-2.0 -3,-0.2 -5,-0.2 -2,-0.2 0.781 147.9 -2.6 -80.1 -26.9 6.5 17.2 10.2 135 135 A G S < S- 0 0 49 -4,-2.7 2,-0.3 -5,-0.5 -3,-0.2 0.511 92.3-113.1-122.0 -89.5 6.9 13.4 10.4 136 136 A V - 0 0 13 -8,-0.2 -4,-0.2 -9,-0.0 2,-0.2 -0.920 32.0 -66.1 162.0 178.6 7.8 11.2 7.5 137 137 A I E - D 0 150A 0 13,-1.5 13,-2.6 -2,-0.3 2,-0.4 -0.559 42.0-144.5 -91.8 156.7 6.5 8.4 5.2 138 138 A K E -CD 126 149A 57 -12,-0.9 -12,-2.0 11,-0.2 2,-0.7 -0.966 8.4-154.0-127.5 142.2 5.8 4.9 6.4 139 139 A L - 0 0 4 9,-1.6 2,-0.5 -2,-0.4 9,-0.4 -0.850 17.5-151.4-114.8 93.5 6.2 1.5 4.7 140 140 A R - 0 0 29 -2,-0.7 -16,-2.8 7,-0.3 2,-0.4 -0.517 11.7-173.3 -68.4 115.1 3.7 -0.9 6.2 141 141 A S > + 0 0 0 -2,-0.5 4,-0.9 -18,-0.2 6,-0.2 -0.458 15.5 164.2-106.8 57.4 5.2 -4.4 6.0 142 142 A V T 4 S+ 0 0 46 -2,-0.4 -1,-0.2 4,-0.4 -19,-0.1 0.766 78.5 47.1 -43.7 -31.0 2.1 -6.3 7.2 143 143 A T T 4 S+ 0 0 88 -21,-1.1 -1,-0.2 -3,-0.2 -20,-0.1 0.965 128.2 17.4 -78.4 -59.4 3.8 -9.4 5.7 144 144 A S T 4 S- 0 0 90 -22,-0.4 -2,-0.2 2,-0.0 -21,-0.1 0.973 141.2 -22.9 -79.1 -62.6 7.3 -9.2 7.0 145 145 A R S < S- 0 0 171 -4,-0.9 -5,-0.1 1,-0.0 3,-0.1 0.614 73.8-115.1-114.2 -89.9 7.1 -6.7 9.9 146 146 A E S S+ 0 0 83 -7,-0.3 -4,-0.4 -22,-0.1 2,-0.3 -0.044 80.3 16.2 178.0 -57.9 4.2 -4.2 10.1 147 147 A E - 0 0 81 -7,-0.3 2,-0.3 -6,-0.2 -7,-0.3 -0.991 57.8-171.9-144.6 133.2 5.4 -0.5 9.8 148 148 A V - 0 0 32 -9,-0.4 -9,-1.6 -2,-0.3 2,-0.6 -0.832 23.5-123.6-121.6 160.2 8.6 1.1 8.6 149 149 A D E +D 138 0A 113 -2,-0.3 2,-0.3 -11,-0.2 -11,-0.2 -0.903 43.2 152.4-108.3 111.7 10.0 4.6 8.6 150 150 A V E -D 137 0A 1 -13,-2.6 -13,-1.5 -2,-0.6 2,-0.4 -0.953 45.3-135.2-137.2 156.6 10.9 6.0 5.1 151 151 A R - 0 0 158 -2,-0.3 2,-3.4 -15,-0.2 -13,-0.1 -0.453 61.1 -91.7-108.6 58.1 11.2 9.4 3.4 152 152 A R S > S+ 0 0 64 -2,-0.4 4,-1.9 1,-0.2 5,-0.2 -0.214 127.0 67.0 67.7 -53.9 9.5 8.5 0.1 153 153 A E H > S+ 0 0 121 -2,-3.4 4,-1.8 1,-0.2 -1,-0.2 0.919 102.8 44.3 -61.9 -44.2 12.9 7.6 -1.4 154 154 A D H > S+ 0 0 44 1,-0.2 4,-3.1 2,-0.2 5,-0.3 0.755 107.3 63.1 -71.7 -24.0 13.3 4.6 0.9 155 155 A L H > S+ 0 0 0 2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.957 109.8 36.0 -65.1 -51.6 9.6 3.7 0.2 156 156 A V H X S+ 0 0 27 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.852 121.6 49.0 -70.0 -35.3 10.2 3.1 -3.5 157 157 A E H X S+ 0 0 101 -4,-1.8 4,-3.1 -5,-0.2 5,-0.2 0.962 113.2 43.8 -68.8 -54.6 13.7 1.6 -2.9 158 158 A E H X S+ 0 0 49 -4,-3.1 4,-2.9 2,-0.2 5,-0.3 0.951 117.0 45.3 -56.4 -54.9 12.7 -0.8 -0.1 159 159 A I H X S+ 0 0 0 -4,-1.9 4,-1.7 -5,-0.3 -1,-0.2 0.911 117.6 44.3 -56.9 -45.6 9.5 -2.0 -1.9 160 160 A K H X S+ 0 0 77 -4,-1.7 4,-2.8 -5,-0.2 -1,-0.2 0.890 114.0 50.2 -67.3 -40.4 11.3 -2.4 -5.2 161 161 A R H < S+ 0 0 140 -4,-3.1 -2,-0.2 2,-0.2 -1,-0.2 0.919 111.3 47.9 -64.3 -44.9 14.4 -4.0 -3.6 162 162 A R H < S+ 0 0 122 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.844 118.9 40.9 -64.9 -34.2 12.3 -6.6 -1.7 163 163 A T H < S+ 0 0 59 -4,-1.7 -2,-0.2 -5,-0.3 -1,-0.2 0.788 125.1 34.8 -83.5 -30.7 10.4 -7.3 -4.9 164 164 A G S < S- 0 0 30 -4,-2.8 -3,-0.0 -5,-0.2 -4,-0.0 -0.170 82.3-113.2-106.2-158.8 13.4 -7.3 -7.1 165 165 A Q - 0 0 180 -2,-0.1 -3,-0.1 2,-0.1 -2,-0.0 -0.995 23.0-111.0-143.6 147.9 17.1 -8.3 -6.7 166 166 A P S S+ 0 0 79 0, 0.0 -5,-0.0 0, 0.0 0, 0.0 -0.256 81.0 37.1 -73.6 163.4 20.5 -6.4 -6.6 167 167 A L - 0 0 141 1,-0.1 -2,-0.1 3,-0.0 3,-0.0 0.716 51.3-167.4 63.3 124.8 23.1 -6.6 -9.3 168 168 A S + 0 0 124 2,-0.0 2,-0.3 1,-0.0 -1,-0.1 0.630 64.7 76.2-113.5 -25.7 22.0 -6.8 -13.0 169 169 A I 0 0 133 0, 0.0 -1,-0.0 0, 0.0 0, 0.0 -0.712 360.0 360.0 -92.9 140.2 25.2 -7.8 -14.7 170 170 A S 0 0 194 -2,-0.3 -2,-0.0 -3,-0.0 -3,-0.0 -0.684 360.0 360.0-130.6 360.0 26.5 -11.4 -14.5