==== 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 PROTEIN BIOSYNTHESIS 23-APR-96 1ATI . COMPND 2 MOLECULE: GLYCYL-TRNA SYNTHETASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR D.T.LOGAN,M.-H.MAZAURIC,D.KERN,D.MORAS . 926 7 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 37738.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 671 72.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 30 3.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 166 17.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 85 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 105 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 228 24.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 2.2 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 0 5 0 2 1 4 0 4 0 0 2 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 2 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 . 4 2 10 4 8 0 0 0 2 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 . 4 5 0 2 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 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 81 0, 0.0 2,-0.3 0, 0.0 310,-0.3 0.000 360.0 360.0 360.0 156.1 33.5 41.2 16.8 2 2 A A - 0 0 16 304,-0.8 308,-0.1 308,-0.1 3,-0.0 -0.753 360.0-158.3 -94.0 145.2 36.7 39.6 18.2 3 3 A S + 0 0 94 -2,-0.3 2,-0.3 1,-0.1 -1,-0.1 0.794 69.7 37.3 -93.7 -31.5 38.9 37.2 16.4 4 4 A S > - 0 0 44 1,-0.1 4,-0.9 229,-0.0 3,-0.2 -0.910 64.2-135.1-124.5 154.8 40.9 35.3 19.1 5 5 A L H > S+ 0 0 20 -2,-0.3 4,-2.1 1,-0.2 3,-0.3 0.890 107.8 53.8 -70.6 -33.8 40.2 34.1 22.6 6 6 A D H > S+ 0 0 116 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.739 95.1 65.6 -72.4 -27.6 43.6 35.5 23.8 7 7 A E H > S+ 0 0 32 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.901 109.9 41.1 -56.7 -45.4 42.9 39.0 22.5 8 8 A L H X S+ 0 0 2 -4,-0.9 4,-3.7 -3,-0.3 5,-0.3 0.960 111.1 52.5 -66.5 -58.0 40.1 39.1 25.1 9 9 A V H X S+ 0 0 47 -4,-2.1 4,-1.7 1,-0.2 5,-0.2 0.913 113.7 49.0 -46.6 -42.1 41.9 37.4 28.0 10 10 A A H X S+ 0 0 49 -4,-2.5 4,-3.5 2,-0.2 -1,-0.2 0.930 113.2 42.8 -63.9 -52.8 44.6 40.0 27.4 11 11 A L H X S+ 0 0 2 -4,-2.1 4,-3.1 1,-0.2 5,-0.3 0.917 111.9 56.4 -60.2 -46.6 42.2 43.0 27.3 12 12 A C H <>S+ 0 0 2 -4,-3.7 5,-2.9 2,-0.2 6,-1.6 0.848 115.7 36.1 -52.0 -43.4 40.4 41.6 30.3 13 13 A K H ><5S+ 0 0 90 -4,-1.7 3,-0.8 -5,-0.3 -2,-0.2 0.923 116.9 54.0 -77.9 -44.7 43.5 41.5 32.3 14 14 A R H 3<5S+ 0 0 105 -4,-3.5 -2,-0.2 1,-0.2 -3,-0.2 0.825 118.1 31.3 -59.5 -38.7 45.0 44.7 30.8 15 15 A R T 3<5S- 0 0 29 -4,-3.1 22,-0.3 -5,-0.2 -1,-0.2 0.402 116.2-100.1-105.3 4.4 42.1 47.0 31.6 16 16 A G T < 5S+ 0 0 1 -3,-0.8 21,-1.6 -4,-0.4 22,-1.5 0.913 82.8 119.1 82.7 48.1 40.7 45.5 34.8 17 17 A F S -A 32 0A 45 -2,-0.3 3,-1.9 12,-0.2 12,-0.2 -0.542 50.5-112.7 -69.3 119.0 43.3 35.2 37.8 21 21 A S T 3 S+ 0 0 3 10,-1.4 7,-2.2 -2,-0.4 10,-0.2 -0.312 97.8 6.4 -56.7 135.3 42.1 34.6 41.4 22 22 A S T > >S+ 0 0 6 5,-0.2 3,-2.1 541,-0.1 5,-2.0 0.669 81.3 161.0 64.3 24.9 45.1 34.4 43.8 23 23 A E G X 5 + 0 0 50 -3,-1.9 3,-2.3 1,-0.3 -2,-0.1 0.811 62.1 62.5 -43.5 -46.3 47.6 35.3 41.0 24 24 A I G 3 5S+ 0 0 1 1,-0.3 686,-1.8 542,-0.3 -1,-0.3 0.674 107.5 43.9 -59.6 -19.7 50.5 36.4 43.3 25 25 A Y G < 5S- 0 0 17 -3,-2.1 -1,-0.3 684,-0.2 -2,-0.2 0.068 137.9 -77.4-111.4 23.6 50.8 32.9 44.8 26 26 A G T < 5S- 0 0 67 -3,-2.3 3,-0.3 -4,-0.1 -3,-0.2 0.376 76.6 -89.7 98.4 -1.9 50.5 31.1 41.5 27 27 A G < - 0 0 8 -5,-2.0 2,-0.3 1,-0.2 -5,-0.2 0.206 25.9-105.8 77.4 152.6 46.8 31.4 41.0 28 28 A L > - 0 0 15 -7,-2.2 3,-0.9 3,-0.4 -1,-0.2 -0.548 52.1-136.3-110.1 55.7 44.0 29.1 42.2 29 29 A Q T 3 S+ 0 0 95 -3,-0.3 3,-0.1 -2,-0.3 -2,-0.1 0.260 83.8 33.3 -15.2 119.3 43.6 27.9 38.6 30 30 A G T 3 S+ 0 0 2 1,-0.3 136,-2.6 135,-0.1 137,-0.8 0.302 103.5 83.4 107.4 -13.9 39.9 27.6 37.6 31 31 A V < - 0 0 2 -3,-0.9 -10,-1.4 -10,-0.2 -3,-0.4 -0.985 57.2-174.9-124.7 136.5 38.7 30.6 39.7 32 32 A Y E -A 20 0A 54 -2,-0.4 2,-0.3 135,-0.3 -12,-0.2 -0.807 15.5-133.5-123.6 169.6 38.9 34.2 38.6 33 33 A D E -A 19 0A 3 -14,-3.3 -14,-2.5 -2,-0.3 2,-0.6 -0.957 17.3-124.9-127.0 143.7 38.2 37.6 40.1 34 34 A Y E -AB 18 503A 13 469,-3.1 469,-2.1 -2,-0.3 -16,-0.3 -0.792 25.7-151.3 -95.1 118.4 36.3 40.7 38.7 35 35 A G > - 0 0 0 -18,-1.2 4,-3.0 -2,-0.6 5,-0.3 -0.080 40.7 -76.1 -75.1 178.6 38.2 44.0 38.6 36 36 A P H > S+ 0 0 3 0, 0.0 4,-1.3 0, 0.0 -19,-0.1 0.849 135.0 38.2 -39.4 -53.5 36.8 47.6 38.7 37 37 A L H > S+ 0 0 9 -21,-1.6 4,-2.0 -22,-0.3 -20,-0.3 0.858 115.5 53.5 -72.6 -35.0 35.5 47.4 35.1 38 38 A G H > S+ 0 0 1 -22,-1.5 4,-2.9 2,-0.2 5,-0.3 0.933 104.4 52.8 -65.4 -50.7 34.4 43.8 35.4 39 39 A V H X S+ 0 0 3 -4,-3.0 4,-2.9 1,-0.2 5,-0.2 0.905 109.8 51.7 -53.0 -44.5 32.2 44.2 38.5 40 40 A E H X S+ 0 0 3 -4,-1.3 4,-3.0 -5,-0.3 5,-0.2 0.967 112.6 41.3 -57.7 -59.7 30.4 47.1 36.8 41 41 A L H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 5,-0.2 0.948 115.9 51.8 -54.5 -49.8 29.6 45.3 33.5 42 42 A K H X S+ 0 0 0 -4,-2.9 4,-2.3 1,-0.2 3,-0.2 0.952 113.3 43.6 -52.5 -53.0 28.7 42.1 35.5 43 43 A N H X S+ 0 0 38 -4,-2.9 4,-2.8 -5,-0.3 -1,-0.2 0.884 109.3 56.8 -61.2 -42.8 26.3 44.0 37.8 44 44 A N H X S+ 0 0 19 -4,-3.0 4,-2.0 -5,-0.2 -1,-0.2 0.892 109.7 46.7 -56.5 -38.7 24.8 45.9 34.9 45 45 A L H X S+ 0 0 0 -4,-2.3 4,-2.0 -3,-0.2 -2,-0.2 0.920 111.3 49.8 -69.8 -46.6 23.9 42.6 33.3 46 46 A K H X S+ 0 0 32 -4,-2.3 4,-2.3 -5,-0.2 -2,-0.2 0.911 112.9 48.6 -57.8 -44.0 22.4 41.1 36.4 47 47 A Q H X S+ 0 0 95 -4,-2.8 4,-3.4 2,-0.2 5,-0.2 0.918 108.2 50.6 -63.6 -47.8 20.3 44.1 37.0 48 48 A A H X S+ 0 0 4 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.888 112.5 50.5 -58.5 -36.8 18.9 44.4 33.5 49 49 A W H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 5,-0.2 0.912 112.3 45.3 -67.4 -43.7 18.0 40.7 33.9 50 50 A W H X>S+ 0 0 20 -4,-2.3 4,-2.4 2,-0.2 5,-1.1 0.933 111.4 51.8 -67.5 -44.1 16.3 41.3 37.2 51 51 A R H <>S+ 0 0 73 -4,-3.4 5,-2.5 1,-0.2 4,-0.3 0.966 114.2 45.6 -55.7 -49.5 14.4 44.3 36.1 52 52 A R H <5S+ 0 0 37 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.900 120.2 33.9 -61.3 -52.0 13.2 42.4 33.1 53 53 A N H <5S+ 0 0 0 -4,-2.6 -1,-0.2 -5,-0.1 -2,-0.2 0.667 131.8 23.3 -85.6 -14.9 12.1 39.1 34.7 54 54 A V T <5S+ 0 0 0 -4,-2.4 6,-0.3 -5,-0.2 3,-0.2 0.797 126.2 35.3-112.1 -58.5 10.8 40.4 38.0 55 55 A Y T > -L 116 0D 38 -2,-0.5 4,-1.1 46,-0.2 3,-0.9 -0.414 28.7-119.0 -63.8 137.0 22.3 20.3 53.4 71 71 A R T 34 S+ 0 0 60 44,-0.7 4,-0.4 1,-0.2 3,-0.1 0.852 110.0 57.3 -40.6 -51.3 23.5 16.8 52.4 72 72 A L T >> S+ 0 0 29 2,-0.2 4,-2.3 1,-0.2 3,-1.0 0.810 95.3 61.3 -54.7 -42.9 19.9 15.5 51.9 73 73 A V H <> S+ 0 0 3 -3,-0.9 4,-0.9 1,-0.3 -1,-0.2 0.968 110.0 43.1 -51.2 -52.1 18.8 18.1 49.4 74 74 A L H 3< S+ 0 0 1 -4,-1.1 6,-2.3 2,-0.2 -1,-0.3 0.488 109.9 57.4 -74.9 -6.9 21.4 16.9 47.0 75 75 A H H X4 S+ 0 0 66 -3,-1.0 3,-2.1 -4,-0.4 6,-0.3 0.923 110.6 41.6 -81.6 -59.6 20.7 13.2 47.8 76 76 A Y H 3< S+ 0 0 6 -4,-2.3 190,-0.3 1,-0.3 -2,-0.2 0.533 108.8 59.8 -63.4 -13.2 17.0 13.5 46.8 77 77 A S T 3< S- 0 0 11 -4,-0.9 -1,-0.3 -5,-0.2 -3,-0.1 0.431 113.4-116.2 -93.7 -4.4 17.8 15.7 43.7 78 78 A G S X> S+ 0 0 16 -3,-2.1 4,-2.0 -5,-0.1 3,-1.3 -0.001 86.1 111.5 97.6 -27.5 19.9 12.9 42.3 79 79 A H H 3> S+ 0 0 17 1,-0.3 4,-2.4 2,-0.2 -4,-0.2 0.809 71.6 59.9 -46.8 -46.0 23.3 14.7 42.3 80 80 A E H 34 S+ 0 0 48 -6,-2.3 -1,-0.3 1,-0.2 -5,-0.1 0.858 116.8 35.3 -53.4 -35.4 24.8 12.5 45.1 81 81 A A H <4 S+ 0 0 84 -3,-1.3 -2,-0.2 -6,-0.3 -1,-0.2 0.788 137.1 12.9 -90.5 -30.3 24.2 9.5 42.8 82 82 A T H < S+ 0 0 104 -4,-2.0 2,-3.1 1,-0.1 -3,-0.2 0.564 81.4 104.9-127.4 -18.0 24.9 11.2 39.3 83 83 A F < + 0 0 37 -4,-2.4 17,-1.2 -5,-0.3 2,-0.3 -0.401 69.4 107.4 -69.3 73.7 26.6 14.6 39.2 84 84 A A E -N 99 0E 30 -2,-3.1 15,-0.2 15,-0.3 13,-0.1 -0.937 57.1-141.4-147.8 168.5 29.8 13.0 38.1 85 85 A D E -N 98 0E 50 13,-1.8 13,-3.0 -2,-0.3 2,-0.6 -0.846 35.0 -99.3-129.0 157.7 32.3 12.4 35.3 86 86 A P E +N 97 0E 42 0, 0.0 798,-2.7 0, 0.0 2,-0.3 -0.751 50.8 177.1 -82.2 116.9 34.4 9.3 34.2 87 87 A M E +NO 96 883E 14 9,-2.8 9,-2.5 -2,-0.6 2,-0.2 -0.809 14.5 162.4-126.4 161.5 38.0 9.6 35.4 88 88 A V E - O 0 882E 26 794,-1.3 794,-0.7 -2,-0.3 2,-0.2 -0.891 18.5-138.5-156.4-179.4 41.4 7.7 35.6 89 89 A D E O 0 881E 44 -2,-0.2 4,-1.3 792,-0.2 792,-0.2 -0.828 360.0 360.0-141.0 179.7 45.3 8.0 36.1 90 90 A N 0 0 58 790,-0.7 -1,-0.1 2,-0.2 791,-0.1 0.376 360.0 360.0-139.2 360.0 48.7 6.8 34.7 91 ! 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 92 159 A W 0 0 154 0, 0.0 -2,-0.2 0, 0.0 814,-0.2 0.000 360.0 360.0 360.0 122.5 46.4 3.4 33.5 93 160 A T - 0 0 48 -4,-1.3 812,-0.1 1,-0.2 807,-0.1 -0.338 360.0 -78.2 -84.7 173.3 44.3 2.6 36.6 94 161 A P - 0 0 60 0, 0.0 -1,-0.2 0, 0.0 2,-0.2 -0.422 58.7-104.0 -71.3 155.0 40.8 1.1 36.3 95 162 A P + 0 0 28 0, 0.0 2,-0.3 0, 0.0 -7,-0.2 -0.515 45.6 168.8 -77.2 144.1 38.2 3.8 35.4 96 163 A R E -N 87 0E 97 -9,-2.5 -9,-2.8 -2,-0.2 2,-0.3 -0.984 36.3-100.4-155.3 152.1 35.8 5.3 38.0 97 164 A Y E -N 86 0E 149 -2,-0.3 2,-0.6 -11,-0.2 -13,-0.0 -0.559 26.2-152.3 -75.8 135.3 33.3 8.2 38.3 98 165 A F E -N 85 0E 40 -13,-3.0 -13,-1.8 -2,-0.3 2,-0.7 -0.942 15.1-137.0-108.3 112.5 34.4 11.2 40.2 99 166 A N E -N 84 0E 48 -2,-0.6 2,-0.3 -15,-0.2 -15,-0.3 -0.667 14.8-150.2 -73.4 117.2 31.5 13.0 41.7 100 167 A M + 0 0 6 -17,-1.2 54,-3.2 -2,-0.7 2,-0.3 0.020 50.7 119.5 -80.7 24.7 32.2 16.7 41.0 101 168 A M B -P 153 0F 3 -2,-0.3 2,-0.7 -18,-0.2 52,-0.1 -0.651 65.3-119.6 -91.0 149.4 30.5 18.4 44.0 102 169 A F E -M 118 0D 2 16,-0.7 16,-2.9 50,-0.6 2,-0.3 -0.784 35.7-171.0 -87.6 115.3 32.4 20.5 46.5 103 170 A Q E +M 117 0D 97 -2,-0.7 2,-0.3 14,-0.2 440,-0.3 -0.800 10.9 171.9-108.6 148.4 32.0 19.0 49.9 104 171 A D E -M 116 0D 8 12,-2.6 12,-2.7 -2,-0.3 2,-0.4 -0.976 28.8-120.7-153.3 147.5 33.0 20.5 53.2 105 172 A L E -M 115 0D 61 436,-0.4 2,-0.8 -2,-0.3 10,-0.3 -0.834 23.4-123.8-102.9 129.7 32.3 19.4 56.8 106 173 A R - 0 0 52 8,-3.5 3,-0.3 -2,-0.4 434,-0.0 -0.620 59.5 -52.6 -74.7 104.6 30.5 21.5 59.4 107 174 A G S S+ 0 0 19 -2,-0.8 430,-0.1 1,-0.2 487,-0.1 -0.604 109.0 20.9 85.9-134.7 32.4 22.2 62.6 108 175 A P S S+ 0 0 63 0, 0.0 2,-0.3 0, 0.0 427,-0.2 0.880 113.0 11.2 -42.2 -74.1 34.1 19.7 65.0 109 176 A R - 0 0 126 -3,-0.3 2,-0.6 425,-0.1 5,-0.1 -0.897 65.9-116.2-124.3 154.7 34.8 16.5 63.2 110 177 A G + 0 0 48 -2,-0.3 5,-0.1 -5,-0.1 -3,-0.0 0.111 60.4 151.9 -70.7 27.2 34.8 15.0 59.6 111 178 A G > - 0 0 33 -2,-0.6 3,-3.0 1,-0.1 4,-0.1 -0.262 59.8-114.7 -61.8 144.9 32.0 12.6 60.6 112 179 A R G > S+ 0 0 169 1,-0.3 3,-0.8 2,-0.2 -1,-0.1 0.751 117.2 56.3 -49.9 -30.4 29.6 11.5 57.8 113 180 A G G 3 S+ 0 0 78 1,-0.2 -1,-0.3 -8,-0.0 -2,-0.1 0.471 99.9 58.8 -84.1 -3.4 26.8 13.3 59.5 114 181 A L G < S+ 0 0 57 -3,-3.0 -8,-3.5 -5,-0.1 2,-0.3 0.129 80.5 119.2-109.6 18.2 28.6 16.6 59.6 115 182 A L E < + M 0 105D 13 -3,-0.8 -44,-0.7 -10,-0.3 2,-0.3 -0.623 33.1 167.6 -88.8 140.2 29.0 16.8 55.8 116 183 A A E -LM 70 104D 6 -12,-2.7 -12,-2.6 -2,-0.3 2,-0.3 -0.921 21.9-126.7-142.5 166.1 27.5 19.7 53.6 117 184 A Y E -LM 69 103D 12 -48,-2.8 -48,-3.5 -2,-0.3 2,-0.9 -0.883 14.0-127.8-126.0 156.2 27.9 20.9 50.1 118 185 A L E -LM 68 102D 1 -16,-2.9 -16,-0.7 -2,-0.3 34,-0.2 -0.883 54.0-109.6 -93.4 106.2 28.6 24.0 48.2 119 186 A R - 0 0 9 -52,-2.8 33,-2.3 -2,-0.9 3,-0.1 -0.093 22.0-154.1 -40.1 133.1 25.7 23.9 45.9 120 187 A P S S+ 0 0 1 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.344 81.3 18.4 -91.0 -2.1 26.6 23.1 42.2 121 188 A E S S- 0 0 31 29,-0.1 3,-0.3 1,-0.1 4,-0.3 -0.928 71.6-127.6-164.8 151.6 23.5 24.9 40.9 122 189 A T S >> S+ 0 0 0 -2,-0.3 3,-1.2 1,-0.2 4,-0.8 0.776 88.4 83.4 -75.8 -28.8 21.1 27.5 42.2 123 190 A A H >> S+ 0 0 0 1,-0.3 4,-2.4 2,-0.2 3,-0.7 0.774 78.3 62.1 -48.6 -44.5 17.8 25.7 41.5 124 191 A Q H 3> S+ 0 0 6 -3,-0.3 4,-2.8 1,-0.3 -1,-0.3 0.871 98.4 59.0 -56.6 -34.8 17.5 23.4 44.5 125 192 A G H <> S+ 0 0 14 -3,-1.2 4,-0.5 -4,-0.3 -1,-0.3 0.916 109.3 45.5 -59.5 -39.0 17.3 26.5 46.7 126 193 A I H X< S+ 0 0 0 -4,-0.8 3,-2.1 -3,-0.7 4,-0.5 0.996 111.6 49.9 -67.8 -56.6 14.2 27.4 44.7 127 194 A F H >< S+ 0 0 0 -4,-2.4 3,-1.7 1,-0.3 4,-0.3 0.852 106.6 53.9 -50.6 -48.1 12.6 24.0 44.8 128 195 A V H 3< S+ 0 0 6 -4,-2.8 -1,-0.3 1,-0.3 4,-0.3 0.686 109.9 49.9 -65.9 -12.8 12.9 23.4 48.5 129 196 A N T S+ 0 0 0 -3,-1.7 4,-3.3 -4,-0.5 5,-0.2 0.909 84.4 42.6 -45.9 -58.3 8.2 26.3 46.9 131 198 A K H > S+ 0 0 57 -4,-0.3 4,-3.3 1,-0.2 -1,-0.2 0.919 114.8 52.6 -55.7 -49.5 5.7 25.7 49.8 132 199 A N H > S+ 0 0 6 -4,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.933 113.5 41.0 -50.4 -57.0 7.3 28.6 51.7 133 200 A V H X S+ 0 0 1 -4,-3.0 4,-1.9 1,-0.2 5,-0.3 0.912 114.8 53.9 -60.0 -44.5 7.1 31.1 48.8 134 201 A L H X>S+ 0 0 24 -4,-3.3 4,-2.4 -5,-0.3 5,-0.6 0.949 109.3 46.6 -56.3 -51.9 3.6 29.8 48.0 135 202 A D H <5S+ 0 0 93 -4,-3.3 -2,-0.2 1,-0.2 -1,-0.2 0.943 115.0 45.2 -55.9 -56.4 2.3 30.3 51.6 136 203 A A H <5S+ 0 0 13 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.692 121.9 34.2 -62.7 -30.5 3.7 33.8 52.0 137 204 A T H <5S- 0 0 10 -4,-1.9 -1,-0.2 -3,-0.3 -2,-0.2 0.680 89.9-138.1-100.9 -20.9 2.7 35.3 48.7 138 205 A S T <5 - 0 0 49 -4,-2.4 -3,-0.1 -5,-0.3 -4,-0.1 0.874 39.0-178.4 63.1 38.0 -0.7 33.5 48.1 139 206 A R < - 0 0 41 -5,-0.6 2,-0.3 -6,-0.2 -1,-0.2 -0.348 20.0-143.6 -71.4 147.8 0.3 33.0 44.4 140 207 A K - 0 0 94 2,-0.2 2,-0.1 1,-0.1 -1,-0.0 -0.706 38.6 -77.1-106.2 162.1 -1.9 31.3 41.8 141 208 A L S S+ 0 0 44 -2,-0.3 36,-0.1 36,-0.0 -1,-0.1 -0.332 105.0 66.1 -69.4 145.8 -0.5 29.1 39.0 142 209 A G S S+ 0 0 26 34,-1.0 2,-0.3 1,-0.3 -2,-0.2 0.556 86.5 121.0 105.6 66.9 1.1 30.4 35.9 143 210 A F E - D 0 176B 0 33,-1.7 33,-2.4 -4,-0.1 -1,-0.3 -0.915 41.5-167.3-161.3 149.7 4.0 31.7 38.1 144 211 A G E -cD 60 175B 0 -85,-2.7 -83,-2.1 31,-0.3 2,-0.4 -0.734 18.8-128.3-131.3 180.0 7.8 31.4 38.7 145 212 A I E -cD 61 174B 0 29,-1.8 29,-1.5 -2,-0.2 2,-0.3 -0.982 22.8-157.2-133.8 119.7 10.7 32.2 41.0 146 213 A A E +cD 62 173B 0 -85,-2.5 -83,-1.5 -2,-0.4 2,-0.3 -0.739 16.4 168.7-100.1 151.8 13.8 34.0 39.8 147 214 A Q E -cD 63 172B 0 25,-2.3 25,-2.5 -2,-0.3 2,-0.4 -0.996 22.2-159.8-161.3 146.7 17.2 34.0 41.4 148 215 A I E + D 0 171B 25 -85,-0.7 2,-0.3 -2,-0.3 23,-0.2 -0.961 36.7 121.9-126.1 144.5 20.9 34.9 40.9 149 216 A G E - 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0 0 4 -5,-1.7 -1,-0.4 1,-0.0 2,-0.2 -0.692 55.7-118.0 -85.5 138.9 24.2 40.2 20.8 203 270 A S > - 0 0 42 -2,-0.3 3,-1.7 1,-0.1 4,-0.4 -0.572 11.3-129.5 -75.1 141.2 23.6 39.7 17.0 204 271 A R G > S+ 0 0 95 1,-0.3 3,-1.7 -2,-0.2 -1,-0.1 0.854 106.8 65.7 -57.5 -34.1 21.1 37.1 15.8 205 272 A E G 3 S+ 0 0 133 1,-0.3 -1,-0.3 3,-0.1 -3,-0.0 0.724 103.1 46.9 -59.3 -28.1 23.8 35.7 13.4 206 273 A N G < S+ 0 0 35 -3,-1.7 24,-1.9 23,-0.0 2,-0.4 0.406 96.1 88.3 -97.5 -0.3 25.8 34.7 16.4 207 274 A L E < -G 229 0B 4 -3,-1.7 22,-0.2 -4,-0.4 20,-0.0 -0.804 54.8-169.5-101.7 141.4 23.1 33.0 18.4 208 275 A V E -G 228 0B 37 20,-2.1 20,-2.6 -2,-0.4 2,-1.0 -0.878 10.7-158.1-136.2 102.6 22.2 29.4 17.9 209 276 A P E -G 227 0B 54 0, 0.0 2,-0.4 0, 0.0 18,-0.2 -0.703 21.8-170.4 -78.2 100.2 19.1 27.9 19.3 210 277 A Y E -G 226 0B 110 16,-2.9 16,-2.5 -2,-1.0 2,-0.6 -0.807 13.5-150.1 -97.8 137.9 19.9 24.1 19.5 211 278 A Q E -G 225 0B 147 -2,-0.4 14,-0.2 14,-0.2 16,-0.0 -0.902 22.4-125.9-106.3 123.8 17.3 21.5 20.3 212 279 A Q - 0 0 45 12,-2.1 12,-0.3 -2,-0.6 5,-0.0 -0.467 17.4-124.1 -73.9 140.1 18.7 18.5 22.0 213 280 A P >> - 0 0 33 0, 0.0 3,-2.5 0, 0.0 4,-1.2 -0.504 34.1-102.7 -77.1 146.1 18.0 15.0 20.5 214 281 A P T 34 S+ 0 0 112 0, 0.0 -2,-0.1 0, 0.0 9,-0.0 0.598 120.2 65.6 -46.1 -18.3 16.3 12.5 22.9 215 282 A E T 34 S+ 0 0 164 1,-0.2 -3,-0.0 3,-0.0 0, 0.0 0.851 107.4 40.9 -72.2 -37.6 19.7 10.7 23.5 216 283 A S T <4 S+ 0 0 68 -3,-2.5 2,-0.4 2,-0.1 -1,-0.2 0.758 90.7 101.6 -80.5 -33.8 21.0 13.9 25.2 217 284 A S S < S- 0 0 26 -4,-1.2 7,-0.0 1,-0.1 5,-0.0 -0.448 78.4-123.1 -58.3 112.5 17.8 14.7 27.1 218 285 A A > - 0 0 51 -2,-0.4 3,-3.0 1,-0.1 5,-0.1 -0.255 39.2 -93.5 -55.2 144.6 18.2 13.7 30.8 219 286 A H T 3 S+ 0 0 113 1,-0.3 -1,-0.1 3,-0.0 -2,-0.1 0.651 123.2 40.2 -32.4 -44.9 15.5 11.2 31.8 220 287 A Y T 3 S+ 0 0 53 1,-0.1 2,-1.3 43,-0.1 -1,-0.3 0.505 90.1 101.7 -87.8 -8.5 13.0 13.7 33.3 221 288 A A < - 0 0 12 -3,-3.0 23,-0.2 1,-0.2 -1,-0.1 -0.656 51.2-170.5 -84.8 91.5 13.5 16.3 30.6 222 289 A K S S- 0 0 101 -2,-1.3 2,-0.2 21,-0.6 -1,-0.2 0.667 73.8 -25.1 -51.9 -20.2 10.6 16.1 28.2 223 290 A A E - 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0 0 4 -5,-1.8 -1,-0.3 1,-0.1 2,-0.2 -0.673 55.2-118.7 -83.9 137.1 18.6 54.3 61.9 641 270 B S > - 0 0 44 -2,-0.3 3,-1.7 1,-0.1 4,-0.3 -0.552 11.3-130.1 -73.2 139.1 18.2 56.7 64.9 642 271 B R G > S+ 0 0 96 1,-0.3 3,-1.7 -2,-0.2 -1,-0.1 0.852 106.7 65.7 -56.1 -34.5 21.3 58.2 66.5 643 272 B E G 3 S+ 0 0 134 1,-0.3 -1,-0.3 3,-0.1 -3,-0.0 0.707 102.8 47.1 -59.8 -27.0 20.0 57.1 70.0 644 273 B N G < S+ 0 0 35 -3,-1.7 24,-2.0 23,-0.0 2,-0.4 0.392 96.2 88.7 -98.5 0.4 20.4 53.5 68.9 645 274 B L E < -A 667 0J 4 -3,-1.7 22,-0.2 -4,-0.3 20,-0.0 -0.797 55.2-168.4-102.5 142.9 23.8 53.8 67.5 646 275 B V E -A 666 0J 38 20,-2.2 20,-2.5 -2,-0.4 2,-1.0 -0.867 10.3-158.4-136.5 102.3 26.8 53.4 69.7 647 276 B P E -A 665 0J 56 0, 0.0 2,-0.6 0, 0.0 18,-0.2 -0.677 18.9-167.9 -77.6 98.8 30.4 54.3 68.5 648 277 B Y E -A 664 0J 105 16,-3.3 16,-2.9 -2,-1.0 2,-0.7 -0.807 10.7-152.3 -94.5 123.6 32.6 52.2 70.7 649 278 B Q E -A 663 0J 149 -2,-0.6 14,-0.2 14,-0.2 16,-0.0 -0.875 24.1-125.2 -93.0 116.5 36.3 53.1 70.7 650 279 B Q - 0 0 44 12,-2.5 12,-0.3 -2,-0.7 0, 0.0 -0.410 19.7-128.5 -64.6 136.7 38.2 50.0 71.5 651 280 B P >> - 0 0 37 0, 0.0 3,-2.4 0, 0.0 4,-1.0 -0.607 35.9 -95.2 -82.0 147.6 40.7 50.4 74.5 652 281 B P T 34 S+ 0 0 117 0, 0.0 -2,-0.1 0, 0.0 9,-0.0 0.547 122.5 64.9 -39.2 -18.2 44.3 49.3 73.8 653 282 B E T 34 S+ 0 0 161 1,-0.1 -3,-0.0 3,-0.0 0, 0.0 0.872 104.0 43.5 -76.5 -41.7 43.6 45.9 75.4 654 283 B S T <4 S+ 0 0 70 -3,-2.4 -1,-0.1 2,-0.1 -4,-0.0 0.908 89.7 102.5 -71.5 -41.6 41.1 44.9 72.6 655 284 B S S < S- 0 0 26 -4,-1.0 7,-0.0 1,-0.1 5,-0.0 -0.139 76.1-123.3 -49.0 120.7 43.2 46.2 69.6 656 285 B A > - 0 0 50 1,-0.1 3,-2.4 2,-0.1 -1,-0.1 -0.356 40.4 -95.3 -61.4 150.8 44.9 43.4 67.7 657 286 B H T 3 S+ 0 0 111 1,-0.3 -1,-0.1 3,-0.0 -2,-0.1 0.744 122.3 43.5 -38.5 -50.5 48.7 44.1 67.6 658 287 B Y T 3 S+ 0 0 50 44,-0.1 2,-1.0 43,-0.1 -1,-0.3 0.483 90.6 104.3 -78.2 -6.4 49.0 45.8 64.2 659 288 B A < - 0 0 13 -3,-2.4 23,-0.2 1,-0.2 3,-0.1 -0.697 48.3-173.3 -86.4 103.2 45.9 47.9 64.9 660 289 B K S S- 0 0 91 -2,-1.0 2,-0.2 21,-0.9 -1,-0.2 0.582 73.7 -17.9 -67.6 -10.6 46.8 51.5 65.8 661 290 B A E - 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