==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SIGNALING PROTEIN 21-DEC-01 1ISR . COMPND 2 MOLECULE: METABOTROPIC GLUTAMATE RECEPTOR SUBTYPE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; . AUTHOR D.TSUCHIYA,N.KUNISHIMA,N.KAMIYA,H.JINGAMI,K.MORIKAWA . 449 3 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19342.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 294 65.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 43 9.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 31 6.9 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 . 3 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 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 . 1 0.2 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 . 30 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 45 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 125 27.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.8 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 1 0 0 1 0 2 0 2 1 1 2 0 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 2 2 2 0 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 PARALLEL BRIDGES PER LADDER . 1 0 2 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 0 1 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 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 36 A R 0 0 216 0, 0.0 71,-0.3 0, 0.0 82,-0.0 0.000 360.0 360.0 360.0 145.4 57.5 -16.5 49.9 2 37 A S - 0 0 70 1,-0.2 70,-0.5 69,-0.1 2,-0.4 0.943 360.0-175.9 64.9 95.7 57.7 -19.3 52.4 3 38 A V - 0 0 27 68,-0.1 2,-0.7 300,-0.0 68,-0.2 -0.982 23.5-139.1-126.3 136.1 57.4 -17.7 55.8 4 39 A A E -A 70 0A 0 66,-1.7 66,-3.0 -2,-0.4 2,-0.3 -0.827 33.0-176.2 -93.8 117.1 57.7 -19.3 59.3 5 40 A R E +A 69 0A 147 -2,-0.7 2,-0.3 296,-0.3 64,-0.2 -0.811 24.5 175.8-119.8 159.7 55.1 -17.9 61.6 6 41 A M E -A 68 0A 35 62,-1.5 62,-2.7 -2,-0.3 2,-0.2 -0.880 26.2-138.5-156.8 118.7 53.9 -18.1 65.2 7 42 A D + 0 0 123 -2,-0.3 2,-0.2 60,-0.2 3,-0.1 -0.484 40.7 121.0 -85.7 154.7 51.1 -16.0 66.6 8 43 A G S S- 0 0 6 -2,-0.2 58,-0.2 1,-0.1 3,-0.2 -0.868 70.0 -71.6-174.7-152.4 51.1 -14.2 69.9 9 44 A D S S+ 0 0 87 56,-2.9 2,-0.5 1,-0.3 57,-0.2 0.808 116.9 33.1 -97.3 -38.7 50.8 -10.8 71.6 10 45 A V E S-b 66 0A 5 55,-1.8 57,-2.5 -3,-0.1 2,-0.4 -0.952 78.5-151.7-123.8 110.8 54.2 -9.4 70.7 11 46 A I E -bc 67 93A 13 81,-0.6 83,-2.7 -2,-0.5 2,-0.6 -0.672 6.1-164.1 -87.6 132.3 55.7 -10.5 67.3 12 47 A I E -b 68 0A 0 55,-1.5 57,-0.8 -2,-0.4 84,-0.2 -0.942 10.6-151.4-117.5 110.4 59.5 -10.6 66.9 13 48 A G E -bc 69 96A 0 82,-1.7 84,-1.5 -2,-0.6 2,-0.3 -0.327 15.7-175.4 -75.8 162.1 60.7 -10.8 63.3 14 49 A A E -bc 70 97A 0 55,-1.5 57,-2.7 82,-0.3 2,-0.5 -0.968 19.1-145.8-161.1 143.3 64.0 -12.5 62.3 15 50 A L E +b 71 0A 0 82,-2.4 2,-0.4 -2,-0.3 57,-0.2 -0.954 22.5 172.3-116.3 123.8 66.2 -13.1 59.3 16 51 A F E -b 72 0A 0 55,-1.6 2,-1.9 -2,-0.5 57,-1.4 -0.987 40.9-114.3-131.9 141.0 68.1 -16.4 58.9 17 52 A S + 0 0 1 22,-0.5 24,-0.1 -2,-0.4 55,-0.1 -0.522 43.5 164.4 -74.2 84.0 70.1 -17.7 55.9 18 53 A V + 0 0 0 -2,-1.9 18,-2.7 22,-0.2 23,-0.3 0.837 68.8 23.1 -70.1 -34.0 67.9 -20.7 55.1 19 54 A H B S-F 35 0B 17 16,-0.2 16,-0.2 -3,-0.2 54,-0.1 -0.793 92.2 -97.0-125.9 169.4 69.6 -21.0 51.7 20 55 A H - 0 0 48 14,-1.4 13,-1.5 -2,-0.3 -1,-0.1 -0.220 56.3 -78.2 -77.1 176.5 72.9 -20.0 50.2 21 56 A Q - 0 0 41 11,-0.2 -1,-0.1 54,-0.1 13,-0.1 -0.448 54.4 -93.6 -78.2 151.5 73.2 -16.8 48.2 22 57 A P - 0 0 1 0, 0.0 10,-0.2 0, 0.0 5,-0.1 -0.318 47.6 -99.7 -62.7 141.1 72.0 -16.7 44.5 23 58 A P >> - 0 0 56 0, 0.0 3,-1.7 0, 0.0 4,-0.8 -0.167 41.1 -98.9 -57.3 160.7 74.6 -17.4 41.9 24 59 A A T 34 S+ 0 0 63 177,-0.5 3,-0.5 1,-0.3 178,-0.1 0.826 125.2 48.5 -50.5 -37.4 76.1 -14.3 40.2 25 60 A E T 34 S+ 0 0 144 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.586 110.6 50.7 -81.8 -11.6 73.8 -14.8 37.2 26 61 A K T <>>S+ 0 0 72 -3,-1.7 5,-1.2 1,-0.1 4,-0.9 0.427 78.5 96.6-106.1 -0.9 70.6 -15.3 39.3 27 62 A V T ><5S+ 0 0 37 -4,-0.8 3,-0.7 -3,-0.5 -1,-0.1 0.903 80.3 56.4 -55.2 -46.2 70.9 -12.2 41.5 28 63 A P T 345S+ 0 0 101 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.876 115.0 36.5 -55.4 -41.8 68.6 -10.1 39.4 29 64 A E T 345S- 0 0 113 -3,-0.3 -2,-0.2 -4,-0.2 -3,-0.1 0.492 108.0-130.5 -90.1 -4.3 65.7 -12.6 39.6 30 65 A R T <<5 + 0 0 96 -4,-0.9 2,-0.7 -3,-0.7 -3,-0.2 0.947 42.8 164.6 54.1 61.4 66.6 -13.4 43.2 31 66 A K < - 0 0 123 -5,-1.2 -1,-0.2 -8,-0.2 -5,-0.1 -0.926 27.7-141.3-109.8 109.6 66.7 -17.2 43.1 32 67 A a - 0 0 36 -2,-0.7 -11,-0.2 -10,-0.2 3,-0.1 -0.166 10.5-118.7 -70.1 161.0 68.5 -18.6 46.2 33 68 A G - 0 0 31 -13,-1.5 2,-0.1 1,-0.2 -1,-0.1 0.463 54.5 -40.1 -73.9-142.6 70.8 -21.6 46.3 34 69 A E - 0 0 109 1,-0.1 -14,-1.4 -13,-0.1 -1,-0.2 -0.429 68.9 -79.5 -90.3 164.2 70.4 -24.8 48.3 35 70 A I B -F 19 0B 8 -16,-0.2 2,-0.3 -2,-0.1 -16,-0.2 -0.203 43.0-151.6 -59.1 145.2 69.1 -25.5 51.8 36 71 A R > - 0 0 17 -18,-2.7 5,-1.9 1,-0.1 -1,-0.1 -0.888 14.9-172.1-121.1 152.5 71.4 -24.9 54.8 37 72 A E T >S+ 0 0 31 -2,-0.3 5,-2.7 3,-0.2 3,-0.4 0.830 81.6 38.8-106.5 -63.5 71.4 -26.5 58.2 38 73 A Q T 5S+ 0 0 35 1,-0.2 306,-0.1 3,-0.1 5,-0.1 0.944 132.0 27.9 -55.1 -54.2 73.9 -24.8 60.6 39 74 A Y T 5S+ 0 0 1 3,-0.1 -22,-0.5 -22,-0.1 -1,-0.2 0.367 135.7 28.1 -91.0 3.9 73.1 -21.3 59.4 40 75 A G T >>5S+ 0 0 0 -3,-0.4 4,-1.8 -22,-0.2 3,-0.6 0.547 121.5 24.0-123.8 -87.5 69.5 -22.1 58.3 41 76 A I H 3> S+ 0 0 0 -3,-0.6 4,-0.8 -6,-0.4 -1,-0.2 0.850 110.5 50.8 -78.7 -35.3 68.5 -21.2 63.7 44 79 A V H X S+ 0 0 0 -4,-1.8 4,-1.5 2,-0.2 -2,-0.2 0.885 115.0 45.0 -67.6 -37.6 64.8 -21.3 62.7 45 80 A E H X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.888 109.2 54.0 -71.7 -40.9 64.3 -24.2 65.1 46 81 A A H X S+ 0 0 0 -4,-1.9 4,-1.3 -5,-0.2 -1,-0.2 0.682 105.8 58.0 -66.8 -16.9 66.4 -22.4 67.8 47 82 A M H X S+ 0 0 0 -4,-0.8 4,-1.8 2,-0.2 -2,-0.2 0.947 110.9 37.6 -76.4 -53.4 64.0 -19.5 67.3 48 83 A F H X S+ 0 0 0 -4,-1.5 4,-2.6 2,-0.2 5,-0.2 0.940 115.3 55.8 -62.4 -49.2 60.8 -21.5 68.1 49 84 A H H X S+ 0 0 29 -4,-2.8 4,-1.7 1,-0.2 -1,-0.2 0.904 108.9 45.9 -50.2 -50.7 62.5 -23.5 70.8 50 85 A T H X S+ 0 0 1 -4,-1.3 4,-2.4 1,-0.2 -1,-0.2 0.888 111.9 52.1 -63.0 -40.4 63.6 -20.4 72.7 51 86 A L H X S+ 0 0 0 -4,-1.8 4,-2.8 2,-0.2 15,-0.2 0.890 105.4 54.4 -64.2 -40.1 60.1 -18.8 72.4 52 87 A D H < S+ 0 0 62 -4,-2.6 4,-0.4 1,-0.2 -1,-0.2 0.908 110.8 47.6 -59.5 -40.9 58.4 -21.9 73.7 53 88 A K H >X S+ 0 0 74 -4,-1.7 3,-0.9 -5,-0.2 4,-0.8 0.923 113.1 46.4 -65.7 -46.7 60.7 -21.6 76.8 54 89 A I H 3< S+ 0 0 1 -4,-2.4 3,-0.4 1,-0.3 -2,-0.2 0.854 113.0 49.7 -65.4 -35.6 60.0 -17.9 77.3 55 90 A N T 3< S+ 0 0 57 -4,-2.8 -1,-0.3 1,-0.2 -2,-0.2 0.522 113.2 48.0 -80.8 -4.8 56.3 -18.4 76.8 56 91 A A T <4 S+ 0 0 81 -3,-0.9 -1,-0.2 -4,-0.4 -2,-0.2 0.470 91.3 98.7-108.9 -9.2 56.5 -21.2 79.4 57 92 A D < - 0 0 63 -4,-0.8 -3,-0.0 -3,-0.4 -4,-0.0 -0.652 58.9-157.7 -83.5 133.6 58.5 -19.2 81.9 58 93 A P S S+ 0 0 104 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.799 89.2 43.0 -79.6 -31.1 56.5 -17.6 84.8 59 94 A V S S+ 0 0 117 1,-0.1 2,-0.7 2,-0.1 -5,-0.0 0.953 100.2 68.1 -80.7 -55.9 59.0 -14.9 85.6 60 95 A L S S- 0 0 12 1,-0.3 -3,-0.2 2,-0.1 4,-0.2 -0.572 127.6 -15.6 -72.5 111.9 60.1 -13.6 82.1 61 96 A L S > S- 0 0 2 -2,-0.7 3,-1.1 2,-0.1 -1,-0.3 0.992 80.8-151.5 55.4 74.2 57.1 -11.8 80.6 62 97 A P T 3 S+ 0 0 61 0, 0.0 2,-0.1 0, 0.0 312,-0.1 0.895 79.9 3.3 -36.6 -85.3 54.4 -13.2 83.0 63 98 A N T 3 S+ 0 0 117 310,-0.8 2,-0.4 2,-0.0 312,-0.2 -0.296 107.0 105.1-107.1 48.5 51.2 -13.2 80.9 64 99 A I < - 0 0 7 -3,-1.1 2,-0.5 -4,-0.2 310,-0.0 -0.985 54.7-153.5-130.5 120.5 52.7 -12.0 77.6 65 100 A T - 0 0 62 -2,-0.4 -56,-2.9 -9,-0.0 -55,-1.8 -0.827 9.6-143.0 -99.2 126.9 53.2 -14.4 74.7 66 101 A L E - b 0 10A 1 -2,-0.5 -55,-0.2 -15,-0.2 2,-0.1 -0.728 18.4-171.0 -89.9 131.1 55.9 -13.7 72.1 67 102 A G E - b 0 11A 0 -57,-2.5 -55,-1.5 -2,-0.4 2,-0.3 -0.370 6.6-145.1-105.8-171.3 55.2 -14.6 68.5 68 103 A S E -Ab 6 12A 1 -62,-2.7 -62,-1.5 -57,-0.2 2,-0.5 -0.959 19.2-163.4-164.1 142.9 57.5 -14.6 65.5 69 104 A E E -Ab 5 13A 29 -57,-0.8 -55,-1.5 -2,-0.3 2,-0.4 -0.898 24.9-167.4-127.5 96.3 57.7 -14.0 61.7 70 105 A I E -Ab 4 14A 0 -66,-3.0 -66,-1.7 -2,-0.5 2,-0.3 -0.712 5.0-173.4 -91.0 135.4 60.8 -15.6 60.3 71 106 A R E - b 0 15A 11 -57,-2.7 -55,-1.6 -2,-0.4 2,-0.2 -0.971 25.7-112.5-132.4 145.8 62.0 -14.8 56.8 72 107 A D E - b 0 16A 16 -70,-0.5 -55,-0.2 -2,-0.3 11,-0.1 -0.513 24.0-179.5 -75.4 137.6 64.8 -16.1 54.6 73 108 A S > - 0 0 0 -57,-1.4 3,-1.0 -2,-0.2 7,-0.5 0.625 22.4-150.3-108.4 -23.3 67.7 -13.8 53.8 74 109 A a T 3 - 0 0 1 -58,-0.5 -41,-0.2 1,-0.2 -57,-0.1 0.676 59.2 -83.5 58.5 16.0 69.7 -16.2 51.6 75 110 A W T 3 S+ 0 0 22 1,-0.2 2,-0.3 -54,-0.1 -1,-0.2 0.960 101.4 116.0 52.0 58.4 72.7 -14.2 52.9 76 111 A H <> - 0 0 42 -3,-1.0 4,-2.9 -55,-0.1 5,-0.3 -0.908 68.2-135.7-159.7 127.4 72.2 -11.4 50.3 77 112 A S H > S+ 0 0 31 -2,-0.3 4,-0.9 1,-0.2 -1,-0.1 0.741 104.7 53.9 -53.5 -28.6 71.4 -7.7 50.7 78 113 A S H > S+ 0 0 41 2,-0.2 4,-1.5 3,-0.1 -1,-0.2 0.960 114.7 35.2 -74.2 -53.8 68.9 -7.9 47.8 79 114 A V H > S+ 0 0 8 -6,-0.2 4,-2.0 1,-0.2 5,-0.2 0.895 117.0 55.2 -67.0 -40.1 66.7 -10.8 49.1 80 115 A A H X S+ 0 0 0 -4,-2.9 4,-1.2 -7,-0.5 -1,-0.2 0.806 109.9 47.4 -62.3 -29.8 67.2 -9.6 52.7 81 116 A L H X S+ 0 0 54 -4,-0.9 4,-1.4 -5,-0.3 -1,-0.2 0.794 106.8 56.9 -80.6 -30.4 65.9 -6.2 51.6 82 117 A E H X S+ 0 0 53 -4,-1.5 4,-0.6 1,-0.2 -2,-0.2 0.867 111.1 43.7 -67.0 -37.0 63.0 -7.8 49.7 83 118 A Q H X S+ 0 0 12 -4,-2.0 4,-1.2 2,-0.2 3,-0.4 0.802 105.8 60.0 -78.6 -31.8 61.9 -9.5 52.9 84 119 A S H X S+ 0 0 0 -4,-1.2 4,-1.1 1,-0.2 -1,-0.2 0.861 98.3 60.6 -64.1 -34.2 62.4 -6.4 55.1 85 120 A I H < S+ 0 0 68 -4,-1.4 3,-0.4 1,-0.2 -1,-0.2 0.863 101.1 54.5 -59.5 -35.8 59.8 -4.7 52.9 86 121 A E H >< S+ 0 0 56 -4,-0.6 3,-1.2 -3,-0.4 -1,-0.2 0.863 100.6 58.8 -66.3 -36.8 57.4 -7.3 54.0 87 122 A F H 3< S+ 0 0 17 -4,-1.2 6,-0.4 1,-0.3 -1,-0.2 0.801 115.4 36.0 -62.3 -28.8 58.1 -6.5 57.6 88 123 A I T 3< 0 0 42 -4,-1.1 -1,-0.3 -3,-0.4 -2,-0.2 0.090 360.0 360.0-114.2 23.3 56.9 -3.0 57.0 89 124 A R < 0 0 221 -3,-1.2 -3,-0.1 -5,-0.1 -4,-0.0 -0.581 360.0 360.0 -76.0 360.0 54.1 -3.4 54.5 90 ! 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 91 154 A K 0 0 151 0, 0.0 -81,-0.0 0, 0.0 -82,-0.0 0.000 360.0 360.0 360.0 141.7 50.1 -7.3 64.1 92 155 A P - 0 0 102 0, 0.0 -81,-0.6 0, 0.0 2,-0.3 -0.277 360.0-100.3 -74.4 162.8 53.2 -5.1 63.7 93 156 A I E -c 11 0A 24 -6,-0.4 -81,-0.2 1,-0.1 3,-0.1 -0.636 20.1-160.3 -86.3 141.7 56.8 -6.2 64.3 94 157 A A E - 0 0 13 -83,-2.7 2,-0.3 1,-0.3 -82,-0.2 0.796 68.4 -35.8 -88.5 -33.4 58.5 -5.3 67.6 95 158 A G E - 0 0 0 -84,-0.5 -82,-1.7 22,-0.1 2,-0.4 -0.972 58.5-105.8-175.1 174.6 62.0 -5.8 66.4 96 159 A V E -cd 13 119A 0 22,-2.0 24,-2.6 -2,-0.3 2,-0.6 -0.967 13.3-149.2-126.6 137.7 64.3 -7.9 64.2 97 160 A I E -cd 14 120A 0 -84,-1.5 -82,-2.4 -2,-0.4 24,-0.2 -0.900 52.6 -54.8-103.1 117.5 66.9 -10.5 65.0 98 161 A G - 0 0 0 22,-2.7 2,-0.2 -2,-0.6 -82,-0.1 -0.673 16.8-147.2 104.9-162.2 69.7 -10.6 62.5 99 162 A P - 0 0 0 0, 0.0 23,-0.5 0, 0.0 24,-0.5 0.480 33.6-130.6 -77.0-157.4 70.6 -10.9 59.7 100 163 A G S S+ 0 0 2 -2,-0.2 23,-0.1 23,-0.1 22,-0.1 0.972 77.8 59.4 -84.6 -63.7 74.0 -12.7 59.5 101 164 A S S > S- 0 0 5 1,-0.1 4,-1.1 23,-0.1 23,-0.2 -0.190 74.5-130.2 -66.8 161.1 76.4 -10.8 57.4 102 165 A S H > S+ 0 0 0 349,-1.5 4,-2.6 2,-0.2 5,-0.2 0.906 108.0 50.6 -77.9 -45.0 77.5 -7.2 58.1 103 166 A S H > S+ 0 0 32 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.874 114.5 46.3 -60.1 -36.9 76.9 -5.9 54.6 104 167 A V H > S+ 0 0 5 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.819 110.3 53.6 -74.3 -31.9 73.5 -7.4 54.8 105 168 A A H X S+ 0 0 0 -4,-1.1 4,-2.3 2,-0.2 -2,-0.2 0.893 106.1 52.0 -69.3 -41.1 72.9 -6.0 58.3 106 169 A I H X S+ 0 0 17 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.898 109.6 50.8 -61.8 -41.4 73.7 -2.5 57.2 107 170 A Q H X S+ 0 0 68 -4,-1.4 4,-0.6 2,-0.2 3,-0.3 0.976 112.9 43.2 -59.8 -58.3 71.2 -2.8 54.3 108 171 A V H >X S+ 0 0 0 -4,-2.1 4,-2.5 1,-0.2 3,-0.7 0.837 114.7 52.6 -57.4 -35.1 68.4 -4.0 56.6 109 172 A Q H 3X S+ 0 0 0 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.862 98.7 62.3 -70.0 -37.2 69.3 -1.4 59.1 110 173 A N H 3< S+ 0 0 67 -4,-2.3 -1,-0.2 -3,-0.3 -2,-0.2 0.651 115.2 35.1 -63.4 -14.3 69.2 1.4 56.6 111 174 A L H X< S+ 0 0 28 -3,-0.7 3,-2.0 -4,-0.6 4,-0.3 0.832 113.0 52.6-103.4 -54.2 65.5 0.6 56.2 112 175 A L H ><>S+ 0 0 0 -4,-2.5 3,-1.8 1,-0.3 5,-0.9 0.812 100.3 64.0 -54.1 -35.5 64.3 -0.4 59.6 113 176 A Q T 3<5S+ 0 0 55 -4,-1.9 3,-0.5 1,-0.3 -1,-0.3 0.696 93.6 63.8 -64.8 -17.4 65.6 2.7 61.2 114 177 A L T < 5S+ 0 0 120 -3,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.629 109.9 37.3 -80.6 -14.2 63.2 4.7 59.1 115 178 A F T < 5S- 0 0 106 -3,-1.8 -1,-0.2 -4,-0.3 -2,-0.2 0.176 116.6-110.8-119.7 13.5 60.3 3.0 60.9 116 179 A D T 5 + 0 0 73 -3,-0.5 -3,-0.2 -4,-0.2 268,-0.2 0.973 61.0 153.3 54.2 66.7 61.9 3.0 64.4 117 180 A I < - 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0 0 5 -5,-1.6 2,-0.3 12,-0.1 15,-0.2 -0.920 56.0-121.9-147.8 168.2 65.9 -38.9 49.6 316 379 A R B -n 330 0D 65 13,-1.8 15,-1.7 -2,-0.3 7,-0.1 -0.898 12.1-128.6-123.5 151.9 62.7 -37.5 48.0 317 380 A L > - 0 0 26 -2,-0.3 3,-1.1 5,-0.2 13,-0.1 -0.844 32.1-128.7 -99.7 105.7 59.1 -36.9 49.1 318 381 A P T 3 S- 0 0 74 0, 0.0 3,-0.1 0, 0.0 -1,-0.0 -0.212 84.9 -4.1 -54.0 132.8 56.6 -38.5 46.6 319 382 A G T 3 S+ 0 0 74 1,-0.2 4,-0.1 2,-0.1 -2,-0.0 0.242 98.1 135.7 69.0 -16.6 53.9 -36.2 45.4 320 383 A H X - 0 0 71 -3,-1.1 3,-1.3 1,-0.1 -1,-0.2 -0.303 62.9-126.9 -64.7 147.8 55.1 -33.4 47.7 321 384 A L T 3 S+ 0 0 160 1,-0.3 -1,-0.1 -3,-0.1 -2,-0.1 0.906 111.0 48.8 -61.2 -44.0 55.3 -29.9 46.2 322 385 A L T 3 S+ 0 0 67 2,-0.1 2,-0.3 -6,-0.0 -1,-0.3 -0.055 81.5 159.4 -88.3 33.6 59.0 -29.5 47.2 323 386 A E < - 0 0 81 -3,-1.3 -7,-0.1 -7,-0.1 -16,-0.1 -0.418 39.8-130.6 -62.3 119.9 59.8 -32.9 45.8 324 387 A N > - 0 0 26 -2,-0.3 3,-0.8 -9,-0.2 2,-0.1 -0.630 14.9-162.5 -78.7 117.8 63.6 -33.0 45.2 325 388 A P T 3 S+ 0 0 96 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.112 78.5 73.6 -90.4 35.6 64.5 -34.3 41.6 326 389 A N T 3 S+ 0 0 123 -2,-0.1 2,-0.3 -11,-0.1 -10,-0.1 0.433 93.4 53.1-122.1 -10.0 68.1 -35.1 42.5 327 390 A F < - 0 0 37 -3,-0.8 -12,-0.1 1,-0.1 -13,-0.0 -0.851 55.3-170.5-123.4 159.1 67.4 -38.2 44.5 328 391 A K + 0 0 154 -2,-0.3 2,-0.2 -14,-0.2 -1,-0.1 0.632 58.9 89.2-121.7 -28.9 65.4 -41.3 43.6 329 392 A K S S- 0 0 154 -15,-0.2 -13,-1.8 1,-0.1 2,-0.2 -0.561 79.8-113.5 -76.9 137.9 65.1 -43.4 46.8 330 393 A V B -n 316 0D 66 -2,-0.2 2,-0.2 -15,-0.2 -13,-0.2 -0.485 25.7-111.3 -77.6 137.5 62.0 -42.6 48.9 331 394 A c - 0 0 16 -15,-1.7 -1,-0.1 -2,-0.2 -21,-0.1 -0.431 18.4-157.7 -65.4 131.2 62.3 -41.0 52.4 332 395 A T - 0 0 89 -2,-0.2 -1,-0.1 1,-0.0 -2,-0.0 0.861 26.5-134.2 -78.3 -37.0 61.3 -43.5 55.2 333 396 A G S S+ 0 0 7 -24,-0.1 -37,-0.3 -37,-0.0 -36,-0.2 0.496 87.9 82.5 95.2 5.6 60.6 -40.7 57.7 334 397 A N + 0 0 112 -39,-0.1 2,-0.0 -38,-0.1 -3,-0.0 0.164 56.6 133.7-124.6 15.1 62.4 -42.4 60.6 335 398 A E - 0 0 38 1,-0.1 2,-0.5 2,-0.0 -22,-0.0 -0.338 56.8-117.2 -67.2 149.2 65.9 -41.3 59.7 336 399 A S > - 0 0 54 1,-0.1 3,-1.1 -41,-0.0 -1,-0.1 -0.781 10.8-156.7 -95.6 128.2 68.0 -40.0 62.6 337 400 A L T 3 S+ 0 0 3 -2,-0.5 -1,-0.1 -45,-0.4 -44,-0.1 0.552 85.7 84.0 -74.3 -7.2 69.3 -36.4 62.6 338 401 A E T > + 0 0 129 -46,-0.2 3,-1.4 2,-0.1 2,-0.3 0.761 66.0 98.2 -67.7 -25.8 72.0 -37.6 65.0 339 402 A E T < S- 0 0 97 -3,-1.1 -4,-0.0 1,-0.3 0, 0.0 -0.482 104.7 -8.4 -69.8 128.7 74.1 -38.8 62.1 340 403 A N T 3 S+ 0 0 144 -2,-0.3 2,-0.4 1,-0.2 -1,-0.3 0.846 95.1 167.6 53.8 37.7 76.9 -36.4 61.1 341 404 A Y < + 0 0 39 -3,-1.4 2,-0.4 -49,-0.0 -1,-0.2 -0.713 12.8 170.3 -89.5 129.7 75.3 -33.8 63.5 342 405 A V - 0 0 47 -2,-0.4 3,-0.1 0, 0.0 2,-0.1 -0.985 29.2-126.3-139.0 123.8 77.2 -30.7 64.4 343 406 A Q - 0 0 7 -2,-0.4 -305,-0.1 1,-0.1 2,-0.1 -0.355 38.0 -90.0 -71.1 148.9 75.7 -27.8 66.3 344 407 A D > - 0 0 2 1,-0.2 3,-1.8 -306,-0.1 4,-0.3 -0.358 31.8-135.6 -57.8 129.4 75.9 -24.2 64.9 345 408 A S T 3 S+ 0 0 12 1,-0.3 3,-0.3 2,-0.1 -1,-0.2 0.834 105.6 40.2 -57.8 -35.2 79.1 -22.6 66.2 346 409 A K T >> S+ 0 0 6 1,-0.2 4,-1.7 2,-0.1 3,-0.6 0.087 77.7 118.5-102.2 22.9 77.2 -19.4 67.1 347 410 A M H <> S+ 0 0 0 -3,-1.8 4,-1.2 1,-0.2 -1,-0.2 0.829 71.9 58.8 -56.9 -33.3 74.1 -21.1 68.4 348 411 A G H 3> S+ 0 0 2 -3,-0.3 4,-1.9 -4,-0.3 51,-0.3 0.885 105.7 46.5 -64.8 -40.0 74.7 -19.5 71.8 349 412 A F H <> S+ 0 0 24 -3,-0.6 4,-1.6 1,-0.2 -1,-0.2 0.819 105.1 61.0 -72.0 -31.6 74.5 -16.0 70.4 350 413 A V H X S+ 0 0 0 -4,-1.7 4,-0.5 1,-0.2 -1,-0.2 0.853 109.4 43.8 -62.7 -34.4 71.4 -16.8 68.4 351 414 A I H >X S+ 0 0 7 -4,-1.2 4,-2.0 2,-0.2 3,-1.1 0.931 111.4 49.2 -77.3 -49.7 69.6 -17.5 71.7 352 415 A N H 3X S+ 0 0 3 -4,-1.9 4,-2.1 1,-0.3 -2,-0.2 0.754 103.9 62.2 -63.4 -23.3 70.8 -14.6 73.8 353 416 A A H 3< S+ 0 0 0 -4,-1.6 4,-0.5 2,-0.2 -1,-0.3 0.822 106.8 45.9 -69.6 -29.5 69.8 -12.3 70.9 354 417 A I H XX S+ 0 0 0 -3,-1.1 4,-1.3 -4,-0.5 3,-0.6 0.884 112.4 48.5 -78.0 -42.1 66.3 -13.5 71.5 355 418 A Y H 3X S+ 0 0 34 -4,-2.0 4,-2.6 1,-0.2 5,-0.3 0.811 104.9 60.0 -67.4 -30.2 66.6 -13.2 75.3 356 419 A A H 3X S+ 0 0 1 -4,-2.1 4,-0.6 1,-0.2 -1,-0.2 0.776 107.5 46.7 -67.6 -25.2 67.9 -9.7 74.8 357 420 A M H <> S+ 0 0 0 -3,-0.6 4,-1.2 -4,-0.5 -1,-0.2 0.755 111.4 51.7 -85.5 -28.1 64.6 -8.9 73.0 358 421 A A H X S+ 0 0 0 -4,-1.3 4,-0.9 2,-0.2 3,-0.3 0.948 111.0 44.3 -73.1 -51.9 62.6 -10.5 75.8 359 422 A H H X S+ 0 0 46 -4,-2.6 4,-2.6 1,-0.2 5,-0.3 0.775 107.4 62.8 -64.3 -26.2 64.2 -8.6 78.7 360 423 A G H X S+ 0 0 0 -4,-0.6 4,-1.3 -5,-0.3 -1,-0.2 0.929 106.8 42.1 -64.1 -44.1 63.9 -5.5 76.6 361 424 A L H X S+ 0 0 4 -4,-1.2 4,-0.9 -3,-0.3 -1,-0.2 0.654 112.7 59.3 -75.0 -15.9 60.1 -5.8 76.6 362 425 A Q H X S+ 0 0 15 -4,-0.9 4,-2.0 2,-0.2 3,-0.5 0.963 106.1 41.7 -76.6 -56.5 60.3 -6.8 80.3 363 426 A N H X S+ 0 0 62 -4,-2.6 4,-0.9 1,-0.2 -2,-0.2 0.816 114.5 55.0 -60.9 -30.3 62.0 -3.6 81.6 364 427 A M H X S+ 0 0 0 -4,-1.3 4,-2.8 -5,-0.3 5,-0.4 0.829 106.9 50.0 -71.7 -32.3 59.6 -1.6 79.4 365 428 A H H X S+ 0 0 9 -4,-0.9 4,-1.4 -3,-0.5 -2,-0.2 0.860 108.1 52.2 -73.7 -36.4 56.6 -3.3 80.9 366 429 A H H < S+ 0 0 121 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.729 119.4 37.3 -70.7 -22.0 57.8 -2.6 84.5 367 430 A A H < S+ 0 0 59 -4,-0.9 -2,-0.2 -5,-0.2 -3,-0.2 0.856 126.7 29.8 -97.0 -45.4 58.2 1.1 83.5 368 431 A L H < S+ 0 0 58 -4,-2.8 10,-0.2 1,-0.2 -3,-0.2 0.783 131.8 31.8 -88.1 -29.9 55.3 1.8 81.2 369 432 A d S < S- 0 0 0 -4,-1.4 3,-0.5 -5,-0.4 -1,-0.2 -0.481 80.6-177.8-126.1 62.6 52.8 -0.6 82.6 370 433 A P + 0 0 82 0, 0.0 2,-0.5 0, 0.0 -4,-0.1 -0.319 69.9 3.4 -63.9 140.2 53.6 -0.9 86.3 371 434 A G S S+ 0 0 87 1,-0.2 -5,-0.1 -5,-0.1 -2,-0.0 0.030 101.2 123.0 77.1 -31.2 51.5 -3.3 88.4 372 435 A H - 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