==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-AUG-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER MEMBRANE PROTEIN 30-JUL-07 2QS1 . COMPND 2 MOLECULE: GLUTAMATE RECEPTOR, IONOTROPIC KAINATE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; . AUTHOR G.M.ALUSHIN,D.E.JANE,M.L.MAYER . 502 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25584.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 336 66.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 32 6.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 58 11.6 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 . 4 0.8 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 . 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 . 30 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 150 29.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.4 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 3 1 1 2 3 0 5 1 1 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 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 0 PARALLEL BRIDGES PER LADDER . 8 2 4 4 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 . 2 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 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 4 A R 0 0 108 0, 0.0 2,-0.7 0, 0.0 46,-0.5 0.000 360.0 360.0 360.0 106.4 -30.8 13.0 15.5 2 5 A T E -a 47 0A 74 44,-0.1 46,-0.3 46,-0.1 2,-0.2 -0.782 360.0-129.4 -77.6 116.8 -27.5 13.5 17.4 3 6 A L E -a 48 0A 0 44,-2.7 46,-2.4 -2,-0.7 2,-0.6 -0.498 8.5-137.0 -74.0 134.4 -25.6 10.5 16.2 4 7 A I E -a 49 0A 36 -2,-0.2 76,-2.9 44,-0.2 77,-1.7 -0.839 20.9-159.8 -89.1 124.0 -23.9 8.3 18.9 5 8 A V E -ab 50 81A 1 44,-2.7 46,-3.1 -2,-0.6 2,-0.3 -0.917 2.6-155.0-111.2 116.5 -20.4 7.4 17.8 6 9 A T E +ab 51 82A 4 75,-2.8 77,-1.7 -2,-0.6 2,-0.3 -0.650 26.8 154.4 -83.9 142.4 -18.7 4.4 19.3 7 10 A T E -a 52 0A 5 44,-1.3 46,-2.9 -2,-0.3 2,-0.3 -0.902 31.3-125.3-154.7-176.3 -14.9 4.4 19.2 8 11 A I - 0 0 9 -2,-0.3 2,-0.4 75,-0.2 6,-0.1 -0.990 29.1-103.2-142.6 140.7 -11.9 3.0 21.1 9 12 A L + 0 0 83 -2,-0.3 2,-0.2 44,-0.2 6,-0.2 -0.563 59.0 144.6 -66.0 121.4 -8.9 4.4 22.8 10 13 A E B >> -E 14 0B 69 4,-1.9 4,-2.2 -2,-0.4 3,-1.9 -0.802 50.4 -88.5-164.8 115.1 -6.0 3.7 20.4 11 14 A E T 34 S+ 0 0 119 1,-0.3 4,-0.1 -2,-0.2 20,-0.1 -0.507 105.5 1.7 -71.5 134.0 -2.9 5.9 19.8 12 15 A P T 34 S+ 0 0 1 0, 0.0 20,-2.5 0, 0.0 -1,-0.3 -0.830 126.9 61.6-101.1 26.2 -3.0 8.1 17.6 13 16 A Y T <4 S+ 0 0 11 -3,-1.9 20,-1.6 1,-0.3 21,-0.9 0.894 118.0 7.6 -77.2 -45.1 -6.6 7.6 16.5 14 17 A V B < S+E 10 0B 1 -4,-2.2 -4,-1.9 19,-0.2 2,-0.3 -0.957 74.5 154.2-145.4 119.3 -8.4 8.4 19.8 15 18 A M E -F 30 0C 34 15,-2.6 15,-2.4 -2,-0.4 2,-0.3 -0.972 47.1-105.3-139.9 154.6 -6.8 9.8 22.9 16 19 A Y E -F 29 0C 127 -2,-0.3 13,-0.3 13,-0.2 2,-0.1 -0.668 51.0-107.9 -72.6 134.4 -7.8 11.8 25.9 17 20 A R - 0 0 132 11,-2.4 2,-2.0 -2,-0.3 -1,-0.1 -0.447 25.2-117.2 -64.1 141.6 -6.3 15.3 25.4 18 21 A K S S+ 0 0 215 -2,-0.1 2,-0.3 2,-0.0 -1,-0.1 -0.571 78.1 107.8 -80.9 77.1 -3.4 16.1 27.7 19 22 A S - 0 0 49 -2,-2.0 4,-0.1 9,-0.1 -2,-0.1 -0.986 58.8-160.0-156.0 143.8 -5.2 18.9 29.5 20 23 A D + 0 0 176 -2,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.166 61.1 123.4-104.0 12.1 -6.9 19.8 32.7 21 24 A K S S- 0 0 156 1,-0.1 2,-1.3 0, 0.0 -2,-0.1 -0.250 84.5 -85.7 -65.4 159.0 -8.9 22.6 31.0 22 25 A P + 0 0 101 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.591 67.6 160.8 -74.7 96.7 -12.7 22.5 31.2 23 26 A L - 0 0 53 -2,-1.3 2,-0.3 -4,-0.1 5,-0.1 -0.971 13.4-177.8-122.2 131.3 -13.3 20.1 28.3 24 27 A Y > - 0 0 175 -2,-0.4 3,-1.9 0, 0.0 4,-0.2 -0.879 46.0 -14.1-129.4 158.3 -16.6 18.2 28.1 25 28 A G G > S- 0 0 32 -2,-0.3 3,-1.6 1,-0.3 4,-0.1 -0.186 131.4 -0.7 56.2-132.4 -18.2 15.7 25.7 26 29 A N G > S+ 0 0 39 1,-0.3 3,-1.6 22,-0.2 -1,-0.3 0.726 124.0 72.2 -61.4 -24.0 -16.3 15.3 22.4 27 30 A D G < S+ 0 0 106 -3,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.595 81.2 73.0 -72.3 -12.0 -13.8 18.0 23.4 28 31 A R G < S+ 0 0 96 -3,-1.6 -11,-2.4 -4,-0.2 -1,-0.3 0.638 95.9 65.2 -69.8 -17.1 -12.2 15.6 25.9 29 32 A F E < +F 16 0C 11 -3,-1.6 2,-0.3 -13,-0.3 -13,-0.2 -0.732 53.6 174.2-116.2 156.3 -10.7 13.7 23.0 30 33 A E E +F 15 0C 45 -15,-2.4 -15,-2.6 -2,-0.3 2,-0.2 -0.947 26.1 96.0-146.9 168.2 -8.2 14.2 20.1 31 34 A G S > S- 0 0 0 -2,-0.3 4,-2.4 -17,-0.2 3,-0.4 -0.668 80.6 -60.3 134.2 168.9 -6.7 12.0 17.4 32 35 A Y H > S+ 0 0 2 -20,-2.5 4,-2.6 1,-0.2 -19,-0.2 0.894 130.9 49.4 -49.6 -44.3 -6.9 11.0 13.8 33 36 A C H > S+ 0 0 2 -20,-1.6 4,-2.4 1,-0.2 -1,-0.2 0.824 108.6 52.3 -72.9 -28.8 -10.4 9.6 14.3 34 37 A L H > S+ 0 0 15 -21,-0.9 4,-2.3 -3,-0.4 -1,-0.2 0.908 111.3 47.4 -68.7 -40.8 -11.6 12.8 16.0 35 38 A D H X S+ 0 0 40 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.923 113.5 48.5 -63.7 -43.8 -10.3 14.8 13.1 36 39 A L H X S+ 0 0 0 -4,-2.6 4,-2.8 -5,-0.2 -2,-0.2 0.931 110.3 50.7 -59.4 -47.2 -12.0 12.4 10.7 37 40 A L H X S+ 0 0 4 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.912 108.6 52.3 -62.2 -41.4 -15.3 12.6 12.6 38 41 A K H X S+ 0 0 108 -4,-2.3 4,-1.6 1,-0.2 -1,-0.2 0.918 111.5 46.4 -59.1 -45.0 -15.2 16.4 12.6 39 42 A E H X S+ 0 0 52 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.913 113.0 49.1 -63.2 -44.1 -14.7 16.4 8.8 40 43 A L H X S+ 0 0 0 -4,-2.8 4,-2.8 1,-0.2 5,-0.4 0.916 110.6 51.1 -60.2 -43.9 -17.5 13.8 8.3 41 44 A S H X>S+ 0 0 13 -4,-2.8 5,-1.2 1,-0.2 4,-0.9 0.765 111.9 47.7 -65.6 -30.1 -19.8 15.9 10.5 42 45 A N H <5S+ 0 0 101 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.813 115.1 44.0 -79.0 -33.3 -19.1 19.0 8.5 43 46 A I H <5S+ 0 0 58 -4,-2.2 -2,-0.2 -5,-0.1 -3,-0.2 0.924 125.7 31.1 -75.5 -46.3 -19.6 17.3 5.1 44 47 A L H <5S- 0 0 46 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.2 0.730 104.6-126.5 -85.1 -26.9 -22.8 15.4 6.0 45 48 A G T <5 + 0 0 64 -4,-0.9 2,-0.3 -5,-0.4 -3,-0.2 0.961 53.5 145.2 78.2 57.8 -24.1 18.0 8.5 46 49 A F < - 0 0 15 -5,-1.2 2,-0.3 -6,-0.1 -1,-0.2 -0.926 45.5-132.8-123.9 153.2 -24.7 15.9 11.6 47 50 A L E -a 2 0A 124 -46,-0.5 -44,-2.7 -2,-0.3 2,-0.3 -0.719 33.7-171.0 -90.2 152.0 -24.4 16.4 15.4 48 51 A Y E -a 3 0A 38 -2,-0.3 2,-0.4 -46,-0.3 -44,-0.2 -0.989 26.1-153.6-150.3 158.6 -22.6 13.7 17.3 49 52 A D E -a 4 0A 75 -46,-2.4 -44,-2.7 -2,-0.3 2,-0.4 -0.985 23.1-140.4-134.6 112.6 -21.7 12.4 20.7 50 53 A V E -a 5 0A 2 -2,-0.4 2,-0.4 -46,-0.2 -44,-0.2 -0.657 21.1-177.5 -79.7 127.1 -18.6 10.3 21.1 51 54 A K E -a 6 0A 80 -46,-3.1 -44,-1.3 -2,-0.4 2,-0.2 -0.989 24.4-129.9-126.9 122.2 -18.9 7.3 23.5 52 55 A L E -a 7 0A 36 -2,-0.4 -44,-0.2 -46,-0.2 -46,-0.1 -0.491 38.8-100.2 -66.5 134.2 -16.0 5.1 24.2 53 56 A V > - 0 0 9 -46,-2.9 3,-1.7 -2,-0.2 -44,-0.2 -0.410 31.8-136.0 -58.0 121.6 -16.9 1.4 23.8 54 57 A P T 3 S+ 0 0 94 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.836 100.7 43.3 -53.2 -40.4 -17.6 0.1 27.4 55 58 A D T 3 S- 0 0 71 2,-0.1 3,-0.1 14,-0.0 -2,-0.1 0.446 103.5-128.9 -87.3 0.9 -15.7 -3.2 27.1 56 59 A G < + 0 0 47 -3,-1.7 2,-0.3 1,-0.2 -48,-0.1 0.766 63.9 130.5 58.5 30.4 -12.8 -1.6 25.2 57 60 A K - 0 0 105 1,-0.1 13,-1.3 3,-0.0 -1,-0.2 -0.840 59.9-141.1-116.6 151.7 -12.9 -4.1 22.4 58 61 A Y - 0 0 63 -2,-0.3 13,-1.2 11,-0.2 12,-0.7 0.961 65.0 -82.7 -70.9 -53.4 -13.0 -3.9 18.6 59 62 A G + 0 0 6 10,-0.2 2,-0.3 11,-0.2 10,-0.2 0.014 55.6 163.3 141.8 109.6 -15.5 -6.7 18.0 60 63 A A - 0 0 52 6,-0.1 8,-1.2 -2,-0.0 2,-0.2 -0.906 29.8-115.7-138.4 165.2 -15.3 -10.4 17.8 61 64 A Q B -G 67 0D 98 -2,-0.3 6,-0.2 6,-0.2 2,-0.2 -0.643 17.0-145.4-101.5 152.6 -17.7 -13.4 18.0 62 65 A N > - 0 0 65 4,-1.4 3,-1.8 -2,-0.2 4,-0.1 -0.546 44.4 -83.5-103.5-175.6 -18.0 -16.2 20.5 63 66 A D T 3 S+ 0 0 174 1,-0.3 -2,-0.0 -2,-0.2 0, 0.0 0.223 126.4 53.5 -75.9 17.1 -19.1 -19.8 19.9 64 67 A K T 3 S- 0 0 113 2,-0.2 -1,-0.3 0, 0.0 3,-0.1 0.260 120.1 -98.9-132.8 3.4 -22.7 -18.8 20.1 65 68 A G S < S+ 0 0 27 -3,-1.8 2,-0.5 1,-0.3 -2,-0.1 0.666 75.9 144.2 81.5 19.1 -22.9 -16.0 17.6 66 69 A E - 0 0 72 -4,-0.1 -4,-1.4 1,-0.0 -1,-0.3 -0.796 35.1-151.9 -97.1 128.6 -22.6 -13.3 20.3 67 70 A W B -G 61 0D 22 -2,-0.5 2,-0.2 -6,-0.2 -6,-0.2 -0.579 10.9-171.2 -97.4 158.9 -20.6 -10.2 19.5 68 71 A N > + 0 0 50 -8,-1.2 4,-1.8 -2,-0.2 3,-0.4 -0.653 45.8 29.0-127.9-172.5 -18.7 -7.8 21.7 69 72 A G H > S- 0 0 0 1,-0.2 4,-1.6 -2,-0.2 -11,-0.2 -0.056 116.7 -24.3 64.1-155.6 -17.0 -4.4 21.3 70 73 A M H > S+ 0 0 0 -13,-1.3 4,-2.0 -12,-0.7 -1,-0.2 0.831 135.5 60.5 -62.8 -35.2 -17.9 -1.7 18.8 71 74 A V H > S+ 0 0 0 -13,-1.2 4,-2.4 -3,-0.4 -1,-0.2 0.931 105.1 48.6 -58.9 -45.6 -19.6 -4.2 16.5 72 75 A K H X S+ 0 0 66 -4,-1.8 4,-2.6 1,-0.2 6,-0.2 0.890 106.5 56.4 -61.6 -40.0 -22.0 -5.2 19.4 73 76 A E H <>S+ 0 0 13 -4,-1.6 5,-2.4 1,-0.2 6,-0.9 0.907 110.9 44.9 -59.0 -41.3 -22.8 -1.5 20.0 74 77 A L H ><5S+ 0 0 0 -4,-2.0 3,-1.6 4,-0.2 -2,-0.2 0.931 111.6 50.6 -66.8 -47.3 -23.8 -1.2 16.4 75 78 A I H 3<5S+ 0 0 35 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.888 112.3 48.8 -56.9 -40.6 -25.8 -4.4 16.3 76 79 A D T 3<5S- 0 0 28 -4,-2.6 -1,-0.3 -5,-0.2 -2,-0.2 0.407 111.7-121.2 -81.3 -0.0 -27.7 -3.3 19.5 77 80 A H T < 5S+ 0 0 65 -3,-1.6 -3,-0.2 2,-0.2 -2,-0.1 0.765 79.0 123.9 58.5 29.2 -28.4 0.2 18.0 78 81 A R S - 0 0 45 -2,-0.7 4,-2.2 1,-0.1 5,-0.2 -0.922 47.5-116.1-132.3 155.5 -13.9 -8.1 7.3 90 93 A Y H > S+ 0 0 189 -2,-0.3 4,-0.7 1,-0.2 -1,-0.1 0.918 114.9 49.1 -49.7 -52.3 -16.2 -10.8 5.8 91 94 A V H >4 S+ 0 0 55 1,-0.2 3,-0.8 2,-0.2 4,-0.4 0.899 111.9 47.5 -62.4 -41.9 -17.5 -11.9 9.2 92 95 A R H >> S+ 0 0 35 1,-0.2 4,-2.2 2,-0.2 3,-1.5 0.856 102.9 62.4 -68.6 -34.2 -18.3 -8.4 10.4 93 96 A E H 3< S+ 0 0 54 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.677 92.5 67.8 -65.4 -16.7 -20.1 -7.5 7.1 94 97 A K T << S+ 0 0 106 -3,-0.8 -1,-0.3 -4,-0.7 -2,-0.2 0.826 117.3 20.9 -63.3 -32.9 -22.5 -10.3 8.0 95 98 A V T <4 S+ 0 0 31 -3,-1.5 124,-0.5 -4,-0.4 2,-0.3 0.572 128.6 25.8-120.7 -18.3 -23.8 -8.2 11.0 96 99 A I E < -D 218 0A 0 -4,-2.2 2,-0.2 122,-0.2 -1,-0.1 -0.916 70.0-122.1-138.6 166.4 -22.9 -4.5 10.3 97 100 A D E -D 217 0A 0 120,-2.6 120,-2.5 -2,-0.3 2,-0.3 -0.698 24.1-156.0-104.1 163.8 -22.3 -2.4 7.2 98 101 A F E -D 216 0A 6 -2,-0.2 118,-0.2 118,-0.2 2,-0.0 -0.997 15.7-123.1-139.1 141.5 -19.1 -0.4 6.5 99 102 A S - 0 0 2 116,-2.4 3,-0.1 -2,-0.3 126,-0.1 -0.317 53.6 -80.7 -61.1 162.7 -18.2 2.7 4.5 100 103 A K S S- 0 0 120 124,-0.2 115,-0.4 1,-0.1 -1,-0.2 -0.300 72.0 -74.9 -59.3 156.0 -15.4 2.2 2.0 101 104 A P - 0 0 56 0, 0.0 113,-0.3 0, 0.0 -1,-0.1 -0.289 32.6-166.2 -69.1 141.9 -12.1 2.4 3.7 102 105 A F S S+ 0 0 11 111,-2.1 2,-0.3 1,-0.3 112,-0.1 0.567 85.4 25.2 -91.0 -12.1 -10.5 5.7 4.9 103 106 A M E S-I 213 0E 15 110,-1.1 110,-2.3 2,-0.0 2,-0.3 -0.982 70.3-156.4-150.5 138.2 -7.2 3.9 5.4 104 107 A T E +I 212 0E 101 -2,-0.3 2,-0.3 108,-0.2 108,-0.2 -0.878 26.5 145.4-118.6 152.0 -5.7 0.9 3.8 105 108 A L E -I 211 0E 3 106,-2.7 106,-2.2 -2,-0.3 2,-0.3 -0.861 24.0-154.0-163.3-176.2 -3.0 -1.3 5.3 106 109 A G - 0 0 0 -2,-0.3 82,-3.0 104,-0.2 2,-0.2 -0.964 39.4 -73.9-167.6 166.5 -1.6 -4.8 5.6 107 110 A I E +J 187 0F 0 -2,-0.3 101,-4.0 80,-0.2 102,-0.4 -0.511 59.7 160.9 -63.5 138.1 0.5 -7.0 7.9 108 111 A S E -J 186 0F 0 78,-2.1 78,-1.5 99,-0.2 2,-0.4 -0.835 35.9 -88.2-147.5-171.0 4.2 -6.1 7.7 109 112 A I E -JK 185 204F 3 95,-1.0 95,-2.4 97,-0.3 2,-0.5 -0.903 19.1-159.1-116.8 131.1 7.5 -6.5 9.6 110 113 A L E +JK 184 203F 0 74,-3.1 74,-2.2 -2,-0.4 2,-0.3 -0.939 37.7 134.7-104.5 122.9 9.0 -4.3 12.3 111 114 A Y E - K 0 202F 10 91,-2.2 91,-3.1 -2,-0.5 72,-0.1 -0.904 53.1 -71.1-155.8 175.8 12.8 -4.9 12.7 112 115 A R E - K 0 201F 102 -2,-0.3 89,-0.2 89,-0.2 3,-0.2 -0.403 48.2-108.6 -76.6 154.2 16.2 -3.1 13.0 113 116 A K S S+ 0 0 107 87,-1.9 -1,-0.1 1,-0.2 91,-0.0 -0.421 92.5 42.7 -72.3 156.4 17.9 -1.1 10.2 114 117 A G S S+ 0 0 85 1,-0.2 -1,-0.2 -2,-0.1 -2,-0.0 0.919 79.8 124.9 75.7 49.1 21.0 -2.5 8.5 115 118 A T - 0 0 50 2,-0.2 -1,-0.2 -3,-0.2 -4,-0.0 -0.996 67.5-125.5-139.7 139.6 20.1 -6.1 8.0 116 119 A P S S+ 0 0 120 0, 0.0 2,-0.2 0, 0.0 -1,-0.0 0.636 78.9 113.8 -55.4 -15.7 20.1 -8.4 4.8 117 120 A I + 0 0 18 1,-0.1 -2,-0.2 5,-0.1 88,-0.2 -0.441 29.6 156.3 -65.2 125.9 16.4 -9.2 5.8 118 121 A D + 0 0 121 -2,-0.2 2,-0.3 1,-0.2 -1,-0.1 0.337 57.4 12.1-135.0 -1.4 14.1 -7.8 3.1 119 122 A S S > S- 0 0 38 86,-0.2 4,-0.8 85,-0.1 3,-0.4 -0.967 79.4 -92.3-164.4 175.0 10.9 -10.0 3.4 120 123 A A H > S+ 0 0 8 -2,-0.3 4,-2.2 1,-0.2 3,-0.1 0.766 120.0 64.8 -67.9 -28.9 8.9 -12.5 5.3 121 124 A D H > S+ 0 0 89 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.826 97.6 54.8 -61.0 -35.2 10.6 -15.2 3.2 122 125 A D H 4 S+ 0 0 36 -3,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.831 112.6 41.7 -68.8 -34.6 13.9 -14.2 4.8 123 126 A L H >< S+ 0 0 0 -4,-0.8 3,-0.9 1,-0.1 -2,-0.2 0.814 109.7 59.3 -79.6 -33.4 12.5 -14.8 8.3 124 127 A A H 3< S+ 0 0 10 -4,-2.2 -2,-0.2 1,-0.2 -3,-0.1 0.865 106.3 44.8 -65.3 -40.4 10.7 -18.0 7.3 125 128 A K T 3< S+ 0 0 145 -4,-1.5 2,-0.3 -5,-0.1 -1,-0.2 0.283 106.8 69.8 -94.0 10.0 13.8 -19.9 6.2 126 129 A Q < - 0 0 38 -3,-0.9 -4,-0.0 3,-0.1 0, 0.0 -0.872 52.4-164.4-127.8 163.8 16.0 -19.0 9.1 127 130 A T S S+ 0 0 101 -2,-0.3 -1,-0.1 3,-0.1 -4,-0.0 0.657 75.2 77.6-114.7 -28.3 16.3 -19.8 12.9 128 131 A K S S+ 0 0 181 2,-0.1 2,-0.5 1,-0.0 53,-0.1 0.848 88.0 59.7 -60.4 -43.5 18.6 -17.1 14.3 129 132 A I S S- 0 0 14 -6,-0.1 2,-0.3 53,-0.0 53,-0.2 -0.804 81.6-140.1 -92.9 122.5 16.2 -14.2 14.3 130 133 A E E -l 182 0F 47 51,-1.6 53,-2.4 -2,-0.5 2,-0.3 -0.626 25.7-179.6 -82.0 139.3 13.1 -14.8 16.5 131 134 A Y E +l 183 0F 1 -2,-0.3 2,-0.2 51,-0.2 53,-0.2 -0.998 14.1 121.8-144.7 145.7 9.7 -13.5 15.1 132 135 A G E -l 184 0F 0 51,-1.7 53,-2.7 -2,-0.3 2,-0.2 -0.854 37.2-113.2-168.2-156.8 6.1 -13.4 16.2 133 136 A A - 0 0 0 -2,-0.2 34,-2.1 51,-0.2 2,-0.3 -0.845 45.2 -64.5-147.7-179.8 3.0 -11.3 16.9 134 137 A V B > -m 167 0G 30 51,-0.4 3,-1.4 -2,-0.2 6,-0.5 -0.591 63.3-100.9 -74.1 137.2 0.7 -10.2 19.7 135 138 A R T 3 S- 0 0 111 32,-3.0 3,-0.1 -2,-0.3 -1,-0.1 -0.343 98.6 -2.0 -62.3 135.6 -1.3 -13.1 21.2 136 139 A D T 3 S+ 0 0 128 1,-0.2 -1,-0.3 2,-0.1 2,-0.1 0.677 103.8 130.5 56.1 23.5 -4.9 -13.5 20.0 137 140 A G S <> S- 0 0 23 -3,-1.4 4,-2.3 1,-0.0 -1,-0.2 -0.336 76.1 -92.3 -94.6-178.7 -4.6 -10.3 17.8 138 141 A S H > S+ 0 0 56 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.893 123.6 49.9 -60.0 -45.1 -5.5 -9.8 14.2 139 142 A T H > S+ 0 0 9 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.893 111.9 47.4 -66.1 -41.9 -2.0 -10.7 12.9 140 143 A M H > S+ 0 0 11 -6,-0.5 4,-2.4 2,-0.2 -1,-0.2 0.925 109.6 53.7 -61.8 -46.7 -1.9 -13.9 14.9 141 144 A T H X S+ 0 0 56 -4,-2.3 4,-1.4 1,-0.2 -2,-0.2 0.831 108.1 52.0 -59.3 -34.9 -5.4 -14.9 13.7 142 145 A F H X S+ 0 0 44 -4,-1.7 4,-1.7 2,-0.2 3,-0.3 0.956 110.3 46.0 -62.9 -53.6 -4.2 -14.3 10.1 143 146 A F H < S+ 0 0 1 -4,-2.0 -2,-0.2 1,-0.2 12,-0.2 0.846 110.7 54.5 -61.6 -35.4 -1.2 -16.6 10.4 144 147 A K H < S+ 0 0 101 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.871 114.9 38.5 -64.9 -39.5 -3.3 -19.3 12.2 145 148 A K H < S+ 0 0 131 -4,-1.4 -2,-0.2 -3,-0.3 -1,-0.2 0.703 92.5 116.2 -84.4 -21.2 -5.8 -19.4 9.3 146 149 A S < - 0 0 14 -4,-1.7 9,-0.0 1,-0.1 -3,-0.0 -0.093 37.9-178.7 -59.7 144.1 -3.3 -19.1 6.4 147 150 A K + 0 0 167 5,-0.0 2,-0.3 4,-0.0 -1,-0.1 0.217 45.9 120.3-121.7 7.0 -2.8 -21.8 3.9 148 151 A I S >> S- 0 0 94 1,-0.1 4,-1.7 2,-0.0 3,-0.6 -0.626 71.4-121.1 -76.2 131.9 -0.1 -19.9 1.9 149 152 A S H 3> S+ 0 0 100 -2,-0.3 4,-1.3 1,-0.2 3,-0.3 0.820 105.2 40.0 -40.6 -58.6 3.2 -21.9 1.9 150 153 A T H 3> S+ 0 0 24 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.809 115.3 50.6 -70.0 -31.9 5.5 -19.4 3.5 151 154 A Y H <> S+ 0 0 37 -3,-0.6 4,-1.5 2,-0.2 -1,-0.2 0.695 104.7 58.3 -81.8 -20.3 3.1 -18.1 6.2 152 155 A E H X S+ 0 0 83 -4,-1.7 4,-1.3 -3,-0.3 -1,-0.2 0.876 107.5 46.6 -70.2 -41.6 2.2 -21.7 7.3 153 156 A K H X S+ 0 0 127 -4,-1.3 4,-1.2 -5,-0.2 -2,-0.2 0.815 111.0 53.3 -69.3 -32.6 5.9 -22.3 8.1 154 157 A M H X S+ 0 0 0 -4,-1.1 4,-0.6 2,-0.2 -2,-0.2 0.855 105.5 53.2 -69.8 -36.6 6.0 -19.0 9.9 155 158 A W H X S+ 0 0 40 -4,-1.5 4,-2.7 1,-0.2 3,-0.4 0.823 103.0 58.0 -67.6 -33.5 3.0 -19.9 12.1 156 159 A A H X>S+ 0 0 43 -4,-1.3 4,-1.6 1,-0.2 5,-1.1 0.890 104.4 51.2 -60.2 -40.9 4.8 -23.2 13.1 157 160 A F H <5S+ 0 0 37 -4,-1.2 -1,-0.2 1,-0.2 -2,-0.2 0.667 116.4 42.3 -70.2 -17.9 7.6 -21.0 14.4 158 161 A M H <5S+ 0 0 0 -4,-0.6 8,-0.3 -3,-0.4 -2,-0.2 0.771 123.5 33.2 -95.8 -34.6 5.0 -19.0 16.4 159 162 A S H ><5S+ 0 0 47 -4,-2.7 3,-0.7 -5,-0.1 -3,-0.2 0.918 125.8 34.6 -91.7 -53.6 2.8 -21.9 17.6 160 163 A S T 3<5S+ 0 0 106 -4,-1.6 2,-0.6 1,-0.3 3,-0.2 0.831 124.7 45.8 -72.9 -34.0 5.1 -24.9 18.2 161 164 A R T 3 + 0 0 87 -3,-0.7 4,-1.2 -2,-0.6 3,-0.9 0.833 51.2 64.0 -68.9 -38.6 5.3 -20.7 21.5 163 166 A Q T 34 S+ 0 0 141 1,-0.3 2,-1.3 -3,-0.2 -1,-0.1 0.960 109.6 29.8 -54.2 -73.0 7.5 -19.5 24.4 164 167 A S T 34 S+ 0 0 27 1,-0.2 -1,-0.3 3,-0.0 -33,-0.1 -0.381 118.0 57.2 -91.1 57.7 10.0 -17.0 22.8 165 168 A A T <4 S+ 0 0 0 -2,-1.3 2,-0.2 -3,-0.9 -1,-0.2 0.458 86.6 60.5-144.7 -59.1 7.7 -15.8 19.9 166 169 A L < - 0 0 13 -4,-1.2 -1,-0.4 -8,-0.3 2,-0.3 -0.516 61.1-155.3 -87.4 152.5 4.3 -14.3 20.9 167 170 A V B -m 134 0G 1 -34,-2.1 -32,-3.0 -2,-0.2 3,-0.1 -0.809 23.2-122.8-125.1 164.9 3.9 -11.1 23.1 168 171 A K S S- 0 0 149 -2,-0.3 2,-0.3 -34,-0.2 -1,-0.1 0.898 83.4 -17.5 -73.4 -43.8 1.1 -9.7 25.3 169 172 A N S > S- 0 0 53 1,-0.1 4,-1.9 -35,-0.1 -1,-0.1 -0.892 74.3 -81.8-152.8 177.8 0.7 -6.3 23.6 170 173 A S H > S+ 0 0 40 -2,-0.3 4,-2.2 1,-0.2 5,-0.3 0.936 121.6 55.1 -51.0 -53.3 2.1 -3.7 21.2 171 174 A D H > S+ 0 0 123 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.865 109.9 44.2 -51.8 -47.7 4.3 -2.2 23.9 172 175 A E H > S+ 0 0 87 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.846 110.6 55.9 -68.2 -36.0 6.1 -5.5 24.8 173 176 A G H X S+ 0 0 0 -4,-1.9 4,-1.5 2,-0.2 -2,-0.2 0.913 109.4 44.4 -63.0 -46.3 6.5 -6.4 21.1 174 177 A I H X S+ 0 0 26 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.873 110.9 56.0 -65.2 -38.8 8.4 -3.2 20.3 175 178 A Q H X S+ 0 0 114 -4,-1.7 4,-2.4 -5,-0.3 5,-0.3 0.880 106.4 51.2 -57.8 -40.9 10.4 -3.7 23.5 176 179 A R H X S+ 0 0 51 -4,-2.0 4,-1.8 1,-0.2 6,-0.4 0.842 108.3 51.2 -65.8 -37.4 11.4 -7.1 22.2 177 180 A V H < S+ 0 0 3 -4,-1.5 5,-0.4 2,-0.2 -2,-0.2 0.895 115.8 40.7 -67.8 -41.8 12.6 -5.7 18.8 178 181 A L H < S+ 0 0 47 -4,-2.0 -2,-0.2 1,-0.1 -3,-0.1 0.929 124.1 34.8 -72.3 -48.3 14.8 -3.0 20.4 179 182 A T H < S+ 0 0 93 -4,-2.4 2,-0.2 -5,-0.2 -3,-0.2 0.866 124.1 29.3 -80.8 -39.8 16.3 -5.1 23.3 180 183 A T S < S- 0 0 68 -4,-1.8 2,-2.1 -5,-0.3 0, 0.0 -0.700 94.6 -91.1-117.2 169.7 16.6 -8.5 21.6 181 184 A D S S+ 0 0 90 -2,-0.2 -51,-1.6 -53,-0.1 2,-0.3 -0.528 78.2 137.8 -79.2 76.1 17.1 -9.8 18.0 182 185 A Y E - l 0 130F 1 -2,-2.1 2,-0.4 -5,-0.4 -51,-0.2 -0.936 45.0-151.8-131.0 143.9 13.4 -10.0 17.4 183 186 A A E - l 0 131F 0 -53,-2.4 -51,-1.7 -2,-0.3 2,-0.5 -0.971 14.7-150.0-116.4 129.8 11.0 -9.1 14.5 184 187 A L E -Jl 110 132F 0 -74,-2.2 -74,-3.1 -2,-0.4 2,-0.6 -0.855 0.3-153.0-103.1 131.1 7.4 -8.2 15.2 185 188 A L E +J 109 0F 0 -53,-2.7 -51,-0.4 -2,-0.5 2,-0.3 -0.910 39.6 127.4 -98.1 122.7 4.6 -8.8 12.7 186 189 A M E -J 108 0F 20 -78,-1.5 -78,-2.1 -2,-0.6 -80,-0.1 -0.963 63.1 -48.7-161.9 176.1 1.7 -6.4 13.0 187 190 A E E >> -J 107 0F 30 -2,-0.3 4,-1.6 -80,-0.2 3,-0.7 -0.272 49.7-129.2 -57.7 132.6 -0.6 -4.0 11.1 188 191 A S H 3> S+ 0 0 13 -82,-3.0 4,-2.6 1,-0.3 5,-0.2 0.745 104.9 62.9 -59.8 -29.5 1.5 -1.6 8.9 189 192 A T H 3> S+ 0 0 4 2,-0.2 4,-1.9 1,-0.2 -1,-0.3 0.944 105.8 45.3 -58.5 -49.1 -0.2 1.5 10.3 190 193 A S H <> S+ 0 0 32 -3,-0.7 4,-1.9 1,-0.2 -2,-0.2 0.904 111.6 54.0 -60.9 -42.5 1.1 0.7 13.8 191 194 A I H X S+ 0 0 0 -4,-1.6 4,-2.6 1,-0.2 -2,-0.2 0.899 107.4 49.0 -59.4 -45.6 4.6 -0.0 12.2 192 195 A E H X S+ 0 0 61 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.886 109.0 53.9 -61.8 -40.6 4.7 3.4 10.5 193 196 A Y H < S+ 0 0 32 -4,-1.9 4,-0.5 1,-0.2 -1,-0.2 0.887 112.7 44.1 -60.3 -40.4 3.7 5.1 13.7 194 197 A V H >X S+ 0 0 12 -4,-1.9 4,-1.5 2,-0.2 3,-1.1 0.915 111.0 51.3 -71.6 -46.3 6.6 3.4 15.5 195 198 A T H 3< S+ 0 0 31 -4,-2.6 -2,-0.2 1,-0.3 6,-0.2 0.815 103.9 58.7 -66.5 -31.0 9.3 3.9 12.8 196 199 A Q T 3< S+ 0 0 79 -4,-1.9 55,-0.4 -5,-0.2 -1,-0.3 0.777 117.0 35.0 -61.8 -26.0 8.5 7.7 12.7 197 200 A R T <4 S+ 0 0 100 -3,-1.1 2,-0.5 -4,-0.5 -2,-0.2 0.572 116.2 53.0-107.8 -15.5 9.4 7.7 16.5 198 201 A N >< - 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