==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-JUN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER MEMBRANE PROTEIN 29-MAR-07 2PBW . COMPND 2 MOLECULE: GLUTAMATE RECEPTOR, IONOTROPIC KAINATE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; . AUTHOR H.HALD,P.NAUR,M.GAJHEDE,J.S.KASTRUP . 503 4 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22872.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 331 65.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 31 6.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 56 11.1 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 . 28 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 149 29.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.2 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 2 2 0 2 4 1 3 0 0 2 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 8 4 2 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 0 196 0, 0.0 46,-0.5 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 140.0 4.6 -5.8 73.3 2 5 A T - 0 0 48 44,-0.1 2,-0.3 46,-0.1 46,-0.3 -0.596 360.0-134.5 -77.2 130.2 5.6 -8.9 75.2 3 6 A L E -a 48 0A 0 44,-2.9 46,-2.3 -2,-0.3 2,-0.6 -0.656 11.1-130.0 -86.1 139.6 3.3 -11.8 74.5 4 7 A I E -a 49 0A 46 -2,-0.3 76,-2.6 44,-0.2 77,-1.7 -0.803 22.1-160.1 -89.1 121.4 2.1 -13.9 77.5 5 8 A V E -ab 50 81A 1 44,-2.5 46,-3.1 -2,-0.6 2,-0.4 -0.904 1.8-155.5-106.7 113.3 2.6 -17.6 76.7 6 9 A T E +ab 51 82A 3 75,-2.6 77,-1.5 -2,-0.6 2,-0.3 -0.702 27.7 154.8 -87.1 136.2 0.6 -20.0 78.8 7 10 A T E -a 52 0A 4 44,-1.6 46,-2.9 -2,-0.4 2,-0.3 -0.889 30.9-135.8-149.6-179.9 2.1 -23.5 79.2 8 11 A I - 0 0 14 75,-0.4 2,-0.4 -2,-0.3 6,-0.1 -0.968 31.7 -98.5-143.3 152.8 2.2 -26.6 81.3 9 12 A L + 0 0 66 -2,-0.3 2,-0.3 4,-0.1 6,-0.2 -0.619 55.8 142.7 -77.3 126.0 5.0 -28.9 82.6 10 13 A E B >> -E 14 0B 39 4,-2.1 4,-2.2 -2,-0.4 3,-1.6 -0.826 50.5 -81.2-165.6 120.4 5.3 -32.1 80.5 11 14 A E T 34 S- 0 0 104 1,-0.3 182,-0.1 -2,-0.3 20,-0.1 -0.476 106.1 -2.7 -68.1 135.2 8.4 -34.0 79.5 12 15 A P T 34 S+ 0 0 1 0, 0.0 20,-2.3 0, 0.0 -1,-0.3 -0.831 126.5 63.0-109.8 28.2 10.0 -33.3 77.2 13 16 A Y T <4 S+ 0 0 0 -3,-1.6 20,-1.6 1,-0.3 21,-0.8 0.952 118.6 6.0 -73.7 -54.0 8.0 -30.3 76.0 14 17 A V B < S+E 10 0B 1 -4,-2.2 -4,-2.1 19,-0.1 2,-0.3 -0.966 78.1 158.7-137.6 117.3 8.3 -28.0 79.0 15 18 A M E -F 30 0C 32 15,-2.7 15,-2.2 -2,-0.4 2,-0.3 -0.965 44.5-101.5-139.6 156.0 10.6 -28.8 81.9 16 19 A Y E -F 29 0C 117 -2,-0.3 13,-0.3 13,-0.2 12,-0.1 -0.594 44.7-121.5 -73.9 130.2 12.3 -27.1 84.8 17 20 A R - 0 0 75 11,-2.5 2,-0.6 -2,-0.3 6,-0.1 -0.225 24.3-110.6 -66.2 163.9 16.0 -26.6 84.0 18 21 A K + 0 0 180 2,-0.0 2,-0.3 0, 0.0 -1,-0.1 -0.886 53.1 149.1-100.5 121.8 18.6 -28.1 86.3 19 22 A S - 0 0 46 -2,-0.6 4,-0.1 1,-0.1 0, 0.0 -0.996 51.9-131.4-153.7 148.6 20.6 -25.5 88.3 20 23 A D S S+ 0 0 162 -2,-0.3 -1,-0.1 2,-0.1 3,-0.0 0.751 94.0 46.0 -72.0 -24.3 22.3 -25.1 91.6 21 24 A K S S- 0 0 119 1,-0.1 -2,-0.0 -3,-0.0 0, 0.0 -0.760 103.7 -76.1-116.9 165.4 20.6 -21.8 92.3 22 25 A P - 0 0 95 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.291 47.1-142.1 -58.6 138.9 17.0 -20.5 92.0 23 26 A L - 0 0 33 -4,-0.1 2,-0.3 -6,-0.1 5,-0.1 -0.746 13.8-160.9-104.1 152.4 15.9 -19.8 88.4 24 27 A Y > - 0 0 177 -2,-0.3 3,-1.0 0, 0.0 4,-0.1 -0.916 45.7 -14.1-131.4 157.8 13.7 -16.9 87.3 25 28 A G G > S- 0 0 38 -2,-0.3 3,-1.9 1,-0.2 4,-0.2 -0.093 121.4 -18.6 55.2-147.8 11.5 -16.1 84.3 26 29 A N G > S+ 0 0 54 1,-0.3 3,-1.5 2,-0.2 -1,-0.2 0.691 126.4 77.6 -65.3 -18.3 11.8 -18.0 81.0 27 30 A D G < S+ 0 0 84 -3,-1.0 -1,-0.3 1,-0.3 -2,-0.2 0.614 79.5 71.9 -67.1 -12.0 15.2 -19.2 82.3 28 31 A R G < S+ 0 0 76 -3,-1.9 -11,-2.5 -4,-0.1 -1,-0.3 0.746 96.3 58.2 -74.3 -25.1 13.3 -21.6 84.5 29 32 A F E < +F 16 0C 9 -3,-1.5 2,-0.3 -13,-0.3 -13,-0.2 -0.712 50.3 168.8-115.4 161.5 12.3 -23.8 81.6 30 33 A E E +F 15 0C 75 -15,-2.2 -15,-2.7 -2,-0.3 2,-0.2 -0.953 28.1 94.7-155.3 161.9 13.8 -25.9 78.8 31 34 A G S > S- 0 0 0 -2,-0.3 4,-2.1 -17,-0.2 -18,-0.2 -0.781 81.7 -54.2 138.8 177.1 12.4 -28.4 76.3 32 35 A Y H > S+ 0 0 1 -20,-2.3 4,-2.8 -2,-0.2 -19,-0.2 0.896 129.5 50.3 -56.3 -45.0 11.0 -28.8 72.8 33 36 A C H > S+ 0 0 2 -20,-1.6 4,-2.8 2,-0.2 -1,-0.2 0.836 108.9 50.7 -67.7 -31.7 8.3 -26.2 73.3 34 37 A L H > S+ 0 0 19 -21,-0.8 4,-2.2 2,-0.2 -1,-0.2 0.886 112.7 48.3 -70.7 -36.4 10.8 -23.6 74.6 35 38 A D H X S+ 0 0 27 -4,-2.1 4,-1.6 -22,-0.2 -2,-0.2 0.924 113.5 46.3 -66.9 -43.9 12.9 -24.3 71.5 36 39 A L H X S+ 0 0 0 -4,-2.8 4,-2.8 1,-0.2 3,-0.3 0.955 111.5 53.4 -61.2 -48.9 9.9 -24.0 69.2 37 40 A L H X S+ 0 0 3 -4,-2.8 4,-2.4 1,-0.3 -2,-0.2 0.872 108.6 46.9 -55.3 -43.6 8.9 -20.9 71.0 38 41 A K H X S+ 0 0 72 -4,-2.2 4,-1.4 2,-0.2 -1,-0.3 0.811 111.2 53.0 -73.1 -25.3 12.2 -19.1 70.5 39 42 A E H X S+ 0 0 29 -4,-1.6 4,-2.2 -3,-0.3 -2,-0.2 0.936 111.5 45.6 -71.2 -44.7 12.3 -20.2 66.8 40 43 A L H X S+ 0 0 0 -4,-2.8 4,-3.0 1,-0.2 5,-0.4 0.897 110.7 53.8 -63.4 -40.4 8.8 -18.7 66.3 41 44 A S H X>S+ 0 0 13 -4,-2.4 4,-1.4 -5,-0.2 5,-1.0 0.820 108.3 49.8 -65.8 -30.5 9.8 -15.5 68.2 42 45 A N H <5S+ 0 0 107 -4,-1.4 -2,-0.2 3,-0.2 -1,-0.2 0.944 115.3 42.9 -71.7 -45.9 12.9 -15.1 65.9 43 46 A I H <5S+ 0 0 58 -4,-2.2 -2,-0.2 1,-0.2 -3,-0.2 0.936 126.4 30.9 -64.4 -49.9 10.8 -15.5 62.7 44 47 A L H <5S- 0 0 47 -4,-3.0 -1,-0.2 -5,-0.2 -3,-0.2 0.695 105.1-128.7 -83.7 -21.4 7.9 -13.3 63.9 45 48 A G T <5 + 0 0 60 -4,-1.4 2,-0.3 -5,-0.4 -3,-0.2 0.974 53.7 135.2 74.4 58.4 9.9 -11.0 66.0 46 49 A F < - 0 0 20 -5,-1.0 2,-0.3 -6,-0.1 -1,-0.2 -0.935 47.2-130.3-135.7 160.1 8.3 -10.9 69.4 47 50 A L - 0 0 123 -46,-0.5 -44,-2.9 -2,-0.3 2,-0.3 -0.698 30.1-169.5-101.0 159.7 9.2 -11.0 73.1 48 51 A Y E -a 3 0A 41 -46,-0.3 2,-0.5 -2,-0.3 -44,-0.2 -1.000 25.4-146.6-155.3 151.9 7.4 -13.4 75.5 49 52 A D E -a 4 0A 83 -46,-2.3 -44,-2.5 -2,-0.3 2,-0.3 -0.977 24.7-141.4-117.5 115.0 6.9 -14.3 79.1 50 53 A V E -a 5 0A 7 -2,-0.5 2,-0.4 -46,-0.2 -44,-0.2 -0.614 24.3-177.3 -76.0 133.8 6.3 -18.0 79.7 51 54 A K E -a 6 0A 95 -46,-3.1 -44,-1.6 -2,-0.3 2,-0.1 -0.966 24.8-126.9-138.9 120.5 3.7 -18.5 82.4 52 55 A L E -a 7 0A 46 -2,-0.4 -44,-0.2 -46,-0.2 -46,-0.1 -0.415 39.0-101.2 -65.0 135.1 2.6 -21.8 83.8 53 56 A V > - 0 0 7 -46,-2.9 3,-1.6 1,-0.1 -1,-0.1 -0.390 31.3-131.5 -59.8 123.1 -1.2 -22.2 83.7 54 57 A P T 3 S+ 0 0 90 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.858 103.0 39.3 -44.4 -50.4 -2.4 -21.5 87.3 55 58 A D T 3 S- 0 0 76 2,-0.1 3,-0.1 1,-0.0 -2,-0.1 0.518 102.8-129.5 -85.2 -1.0 -4.7 -24.6 87.6 56 59 A G < + 0 0 37 -3,-1.6 2,-0.3 1,-0.2 -48,-0.1 0.766 64.1 124.9 62.8 28.3 -2.3 -26.9 85.8 57 60 A K - 0 0 88 1,-0.1 13,-1.7 3,-0.0 -1,-0.2 -0.884 59.8-139.3-118.9 151.2 -4.8 -28.3 83.4 58 61 A Y - 0 0 2 -2,-0.3 13,-1.7 11,-0.3 -1,-0.1 0.946 63.7 -79.3 -72.7 -49.4 -4.8 -28.4 79.6 59 62 A G + 0 0 2 11,-0.2 2,-0.3 10,-0.2 10,-0.1 -0.002 58.0 155.7 142.2 109.9 -8.4 -27.5 79.0 60 63 A A - 0 0 30 6,-0.1 8,-1.4 -2,-0.0 2,-0.4 -0.886 36.8-114.5-141.1 167.0 -11.7 -29.4 79.2 61 64 A Q B -G 67 0D 88 -2,-0.3 6,-0.2 6,-0.2 -2,-0.0 -0.907 22.8-135.0-114.0 140.3 -15.3 -28.2 79.8 62 65 A N > - 0 0 72 4,-2.4 3,-2.4 -2,-0.4 -1,-0.0 -0.175 41.7 -84.0 -79.9 179.7 -17.4 -29.0 82.8 63 66 A D T 3 S+ 0 0 174 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.779 130.5 53.9 -56.2 -28.8 -21.1 -30.0 82.8 64 67 A K T 3 S- 0 0 197 2,-0.1 -1,-0.3 1,-0.0 -3,-0.0 0.476 120.3-108.7 -85.8 -2.5 -22.1 -26.4 82.6 65 68 A G S < S+ 0 0 37 -3,-2.4 2,-0.4 1,-0.3 -2,-0.1 0.647 71.0 140.0 87.1 14.8 -20.0 -25.8 79.6 66 69 A E - 0 0 115 1,-0.0 -4,-2.4 0, 0.0 -1,-0.3 -0.773 43.1-135.4 -95.2 140.9 -17.3 -23.7 81.3 67 70 A W B -G 61 0D 22 -2,-0.4 -6,-0.2 -6,-0.2 2,-0.2 -0.558 18.4-170.4 -93.9 155.3 -13.6 -24.2 80.3 68 71 A N > + 0 0 46 -8,-1.4 4,-2.0 -2,-0.2 3,-0.4 -0.568 44.7 24.2-126.7-169.6 -10.5 -24.5 82.5 69 72 A G H > S- 0 0 1 1,-0.2 4,-2.2 2,-0.2 3,-0.3 0.081 116.4 -19.9 51.5-154.4 -6.8 -24.6 82.0 70 73 A M H > S+ 0 0 0 -13,-1.7 4,-2.2 1,-0.2 -1,-0.2 0.857 135.8 57.4 -55.9 -39.9 -4.8 -23.2 79.0 71 74 A V H > S+ 0 0 0 -13,-1.7 4,-2.4 -3,-0.4 -1,-0.2 0.930 109.1 46.7 -58.7 -43.2 -7.9 -23.2 76.8 72 75 A K H X S+ 0 0 42 -4,-2.0 4,-2.3 -3,-0.3 -2,-0.2 0.879 106.7 57.3 -67.0 -38.2 -9.6 -21.0 79.4 73 76 A E H <>S+ 0 0 21 -4,-2.2 5,-2.9 1,-0.2 6,-0.8 0.926 110.8 44.1 -58.8 -42.8 -6.6 -18.7 79.7 74 77 A L H ><5S+ 0 0 0 -4,-2.2 3,-1.7 3,-0.2 -2,-0.2 0.930 110.2 54.9 -67.5 -44.8 -6.8 -18.1 76.0 75 78 A I H 3<5S+ 0 0 51 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.883 112.0 43.2 -56.8 -39.9 -10.6 -17.6 76.0 76 79 A D T 3<5S- 0 0 58 -4,-2.3 -1,-0.3 -5,-0.1 -2,-0.2 0.334 113.8-117.7 -89.2 9.1 -10.3 -14.9 78.7 77 80 A H T < 5S+ 0 0 138 -3,-1.7 -3,-0.2 2,-0.1 -2,-0.1 0.837 75.8 130.9 59.2 35.8 -7.4 -13.3 76.9 78 81 A R S - 0 0 8 -2,-0.9 4,-3.1 1,-0.1 5,-0.2 -0.845 46.5-117.0-123.0 160.3 -9.6 -31.4 68.9 90 93 A Y H > S+ 0 0 66 -2,-0.3 4,-0.8 391,-0.2 -1,-0.1 0.942 115.4 47.7 -54.3 -53.1 -13.1 -30.7 67.6 91 94 A V H 4 S+ 0 0 47 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.842 116.8 42.6 -62.7 -34.6 -14.4 -29.5 70.9 92 95 A R H >> S+ 0 0 6 1,-0.2 3,-1.5 2,-0.2 4,-1.4 0.888 105.1 61.2 -79.8 -40.2 -11.4 -27.2 71.5 93 96 A E H 3< S+ 0 0 5 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.675 96.7 63.6 -61.5 -16.8 -11.1 -25.8 68.0 94 97 A K T 3< S+ 0 0 99 -4,-0.8 -1,-0.3 -5,-0.2 -2,-0.2 0.783 111.7 33.7 -78.4 -25.8 -14.6 -24.3 68.5 95 98 A V T <4 S+ 0 0 41 -3,-1.5 124,-0.5 -4,-0.4 2,-0.3 0.562 125.0 27.3-107.0 -10.0 -13.5 -22.1 71.3 96 99 A I S < S- 0 0 0 -4,-1.4 2,-0.5 122,-0.2 -1,-0.1 -0.973 78.8-109.9-145.4 159.6 -10.0 -21.1 70.4 97 100 A D E -D 217 0A 8 120,-2.2 120,-2.4 -2,-0.3 2,-0.3 -0.813 30.9-158.1 -96.3 129.1 -7.9 -20.8 67.2 98 101 A F E -D 216 0A 0 -2,-0.5 118,-0.2 118,-0.2 2,-0.1 -0.780 12.1-131.0-104.0 148.8 -5.2 -23.3 66.5 99 102 A S - 0 0 0 116,-1.9 3,-0.1 -2,-0.3 126,-0.1 -0.345 50.5 -74.7 -83.4 174.3 -2.2 -22.9 64.3 100 103 A K S S- 0 0 6 124,-0.2 115,-0.4 1,-0.1 -1,-0.2 -0.396 71.4 -80.9 -65.9 152.7 -1.5 -25.7 61.8 101 104 A P - 0 0 28 0, 0.0 113,-0.3 0, 0.0 -1,-0.1 -0.230 35.0-166.3 -58.0 141.8 -0.1 -28.7 63.7 102 105 A F S S+ 0 0 9 111,-2.8 2,-0.3 1,-0.3 112,-0.1 0.412 82.5 24.5-105.2 -2.0 3.7 -28.6 64.5 103 106 A M E S-I 213 0E 15 110,-0.9 110,-2.5 2,-0.0 2,-0.4 -0.929 72.8-151.2-160.3 131.8 3.7 -32.3 65.3 104 107 A T E +I 212 0E 48 -2,-0.3 108,-0.3 108,-0.2 2,-0.3 -0.847 29.5 142.6-109.2 148.5 1.4 -35.1 64.2 105 108 A L E -I 211 0E 4 106,-3.4 106,-3.4 -2,-0.4 2,-0.3 -0.861 28.3-136.8-160.0-167.9 0.6 -38.2 66.2 106 109 A G - 0 0 0 -2,-0.3 82,-3.9 104,-0.2 2,-0.4 -0.976 31.8 -85.7-159.4 168.8 -2.0 -40.6 67.1 107 110 A I E +J 187 0F 0 -2,-0.3 101,-2.5 80,-0.2 102,-0.3 -0.697 57.3 155.1 -82.1 130.5 -3.6 -42.6 69.9 108 111 A S E -J 186 0F 0 78,-2.8 78,-2.5 -2,-0.4 2,-0.5 -0.762 39.8 -88.6-141.5-170.2 -1.7 -45.9 70.5 109 112 A I E -JK 185 204F 3 95,-0.9 95,-3.0 97,-0.3 2,-0.6 -0.928 20.6-163.0-118.7 126.7 -1.0 -48.5 73.2 110 113 A L E +JK 184 203F 0 74,-2.9 74,-2.8 -2,-0.5 2,-0.3 -0.903 33.4 140.6-102.1 123.5 1.8 -48.5 75.8 111 114 A Y E - K 0 202F 3 91,-2.1 91,-2.4 -2,-0.6 2,-0.2 -0.852 52.3 -79.2-148.8 178.8 2.3 -52.0 77.3 112 115 A R E - K 0 201F 91 -2,-0.3 3,-0.3 89,-0.2 89,-0.3 -0.526 50.7 -98.7 -89.1 160.3 5.2 -54.2 78.4 113 116 A K S S+ 0 0 116 87,-2.8 -1,-0.1 1,-0.2 89,-0.1 -0.184 92.6 37.1 -72.0 164.2 7.3 -56.2 76.0 114 117 A G S S+ 0 0 87 1,-0.2 -1,-0.2 3,-0.0 -2,-0.0 0.803 81.4 126.9 66.8 35.0 7.0 -59.9 75.2 115 118 A T - 0 0 35 -3,-0.3 -1,-0.2 2,-0.2 -4,-0.0 -0.860 66.3-123.8-121.8 158.3 3.3 -60.4 75.3 116 119 A P S S+ 0 0 124 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 0.664 78.1 109.6 -70.9 -17.9 0.8 -61.8 72.8 117 120 A I + 0 0 19 1,-0.1 -2,-0.2 5,-0.0 88,-0.1 -0.363 31.7 156.6 -62.0 135.8 -1.3 -58.6 72.7 118 121 A D + 0 0 107 1,-0.3 2,-0.3 86,-0.1 -1,-0.1 0.408 52.5 28.2-142.8 0.9 -0.9 -56.8 69.4 119 122 A S S > S- 0 0 41 86,-0.1 4,-1.4 1,-0.1 -1,-0.3 -0.991 75.1-106.3-160.0 164.1 -3.9 -54.5 68.9 120 123 A A H > S+ 0 0 12 -2,-0.3 4,-2.0 1,-0.2 5,-0.1 0.777 121.0 58.7 -63.7 -25.0 -6.7 -52.5 70.5 121 124 A D H > S+ 0 0 74 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.898 98.3 55.8 -71.5 -41.7 -8.9 -55.3 69.4 122 125 A D H 4 S+ 0 0 42 1,-0.2 4,-0.2 -3,-0.2 -2,-0.2 0.894 111.5 45.6 -56.7 -39.7 -7.0 -57.9 71.4 123 126 A L H >< S+ 0 0 0 -4,-1.4 3,-1.5 1,-0.2 -1,-0.2 0.909 108.1 55.8 -69.3 -44.2 -7.5 -55.8 74.5 124 127 A A H 3< S+ 0 0 6 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.818 100.9 59.5 -59.0 -33.7 -11.2 -55.2 73.8 125 128 A K T 3< S+ 0 0 136 -4,-1.9 -1,-0.3 -5,-0.1 2,-0.2 0.511 108.5 42.6 -75.1 -6.9 -12.0 -58.9 73.6 126 129 A Q < - 0 0 41 -3,-1.5 0, 0.0 -4,-0.2 0, 0.0 -0.742 52.2-156.6-134.0-179.2 -10.8 -59.6 77.2 127 130 A T S S+ 0 0 98 -2,-0.2 -1,-0.1 3,-0.1 -4,-0.1 0.361 75.9 85.6-137.9 -1.8 -10.8 -58.5 80.8 128 131 A K S S+ 0 0 175 1,-0.1 2,-0.6 -5,-0.1 53,-0.1 0.977 88.9 57.4 -66.6 -53.3 -7.7 -60.1 82.3 129 132 A I S S- 0 0 17 -6,-0.1 53,-0.2 53,-0.1 2,-0.2 -0.682 85.0-145.2 -81.8 120.3 -5.5 -57.2 81.2 130 133 A E E +l 182 0F 40 51,-1.8 53,-2.5 -2,-0.6 2,-0.3 -0.525 22.1 179.1 -82.6 150.1 -6.8 -53.9 82.5 131 134 A Y E +l 183 0F 2 51,-0.2 2,-0.3 -2,-0.2 53,-0.2 -0.997 11.1 133.9-152.5 151.3 -6.5 -50.8 80.3 132 135 A G E -l 184 0F 0 51,-1.7 53,-3.1 -2,-0.3 2,-0.3 -0.883 31.4-119.4-168.1-160.4 -7.3 -47.1 80.4 133 136 A A - 0 0 0 -2,-0.3 34,-2.0 51,-0.2 2,-0.3 -0.903 47.3 -60.8-152.2 177.5 -6.2 -43.5 79.8 134 137 A V B > -m 167 0G 4 51,-0.4 3,-1.8 -2,-0.3 6,-0.5 -0.535 64.9-108.5 -68.9 127.0 -5.6 -40.2 81.5 135 138 A R T 3 S+ 0 0 67 32,-2.9 -1,-0.1 -2,-0.3 3,-0.1 -0.369 96.7 2.2 -62.1 128.1 -8.9 -39.1 82.9 136 139 A D T 3 S+ 0 0 87 1,-0.2 -1,-0.3 -2,-0.1 2,-0.1 0.498 98.9 130.7 73.7 6.8 -10.4 -36.1 81.0 137 140 A G S <> S- 0 0 1 -3,-1.8 4,-2.2 1,-0.1 -1,-0.2 -0.331 76.8 -99.7 -81.6 172.3 -7.6 -36.0 78.5 138 141 A S H > S+ 0 0 10 366,-2.3 4,-1.9 1,-0.2 5,-0.1 0.829 122.1 57.1 -62.6 -30.8 -8.2 -35.9 74.7 139 142 A T H > S+ 0 0 0 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.935 106.9 46.4 -66.6 -46.0 -7.6 -39.7 74.5 140 143 A M H > S+ 0 0 6 -6,-0.5 4,-2.4 1,-0.2 -2,-0.2 0.947 110.7 53.7 -60.4 -47.6 -10.3 -40.6 77.0 141 144 A T H X S+ 0 0 49 -4,-2.2 4,-2.4 1,-0.2 5,-0.3 0.882 103.1 58.2 -54.8 -39.6 -12.7 -38.2 75.3 142 145 A F H X S+ 0 0 16 -4,-1.9 4,-1.6 1,-0.2 -1,-0.2 0.948 110.5 41.4 -55.4 -51.2 -12.0 -40.0 72.0 143 146 A F H < S+ 0 0 0 -4,-1.7 -1,-0.2 1,-0.2 12,-0.2 0.832 112.3 56.6 -67.2 -31.7 -13.1 -43.3 73.4 144 147 A K H < S+ 0 0 106 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.891 115.5 35.0 -67.5 -39.7 -16.1 -41.7 75.2 145 148 A K H < S+ 0 0 152 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.628 92.3 112.4 -91.0 -15.4 -17.5 -40.2 72.0 146 149 A S < - 0 0 9 -4,-1.6 340,-0.1 -5,-0.3 9,-0.0 -0.183 44.1-169.3 -60.8 149.9 -16.6 -43.0 69.6 147 150 A K + 0 0 174 339,-0.1 2,-0.4 5,-0.0 -1,-0.1 0.192 50.7 118.8-120.8 8.7 -19.4 -45.1 68.0 148 151 A I S > S- 0 0 51 1,-0.1 4,-2.5 -5,-0.0 3,-0.5 -0.665 70.6-128.9 -75.6 128.8 -17.0 -47.6 66.6 149 152 A S H > S+ 0 0 84 -2,-0.4 4,-2.8 1,-0.2 3,-0.3 0.910 104.6 49.4 -44.4 -59.8 -17.9 -50.9 68.2 150 153 A T H > S+ 0 0 33 1,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.857 116.8 42.5 -51.9 -39.9 -14.5 -51.9 69.4 151 154 A Y H > S+ 0 0 42 -3,-0.5 4,-1.9 2,-0.2 -1,-0.3 0.781 110.6 55.9 -79.2 -27.3 -13.9 -48.5 70.9 152 155 A E H X S+ 0 0 90 -4,-2.5 4,-1.9 -3,-0.3 -2,-0.2 0.897 109.6 47.8 -68.7 -39.5 -17.5 -48.4 72.4 153 156 A K H X S+ 0 0 120 -4,-2.8 4,-1.8 -5,-0.3 -2,-0.2 0.923 110.7 49.9 -66.8 -44.8 -16.7 -51.7 74.1 154 157 A M H X S+ 0 0 0 -4,-1.7 4,-2.7 -5,-0.2 -1,-0.2 0.857 110.1 51.0 -63.6 -35.1 -13.3 -50.4 75.4 155 158 A W H X S+ 0 0 46 -4,-1.9 4,-2.7 -12,-0.2 5,-0.2 0.894 104.8 57.5 -68.9 -37.8 -15.0 -47.3 76.8 156 159 A A H X S+ 0 0 57 -4,-1.9 4,-0.7 1,-0.2 -2,-0.2 0.913 112.5 41.3 -56.8 -42.6 -17.6 -49.5 78.5 157 160 A F H < S+ 0 0 28 -4,-1.8 3,-0.4 2,-0.2 8,-0.2 0.912 113.5 51.2 -72.5 -45.0 -14.7 -51.1 80.3 158 161 A M H < S+ 0 0 0 -4,-2.7 7,-0.7 1,-0.2 8,-0.3 0.904 114.4 43.5 -59.4 -43.6 -12.7 -48.0 81.0 159 162 A S H X S+ 0 0 41 -4,-2.7 4,-0.7 -5,-0.2 3,-0.4 0.619 95.2 100.0 -80.3 -13.4 -15.6 -46.2 82.6 160 163 A S H >X S+ 0 0 40 -4,-0.7 3,-1.2 -3,-0.4 4,-0.9 -0.162 75.7 28.6 -68.5 167.4 -16.9 -49.1 84.6 161 164 A R H >4 S- 0 0 121 1,-0.3 3,-0.9 2,-0.2 -1,-0.2 0.873 139.7 -54.1 48.5 46.6 -16.2 -49.5 88.3 162 165 A Q H 34 S- 0 0 187 -3,-0.4 -1,-0.3 1,-0.2 -2,-0.2 0.801 96.2 -67.6 61.6 30.4 -16.0 -45.8 88.9 163 166 A Q H X< S+ 0 0 55 -3,-1.2 3,-1.7 -4,-0.7 -1,-0.2 0.854 83.3 156.0 60.6 35.1 -13.4 -45.4 86.2 164 167 A S T << + 0 0 54 -3,-0.9 -3,-0.1 -4,-0.9 -1,-0.1 0.760 67.4 63.9 -64.2 -21.1 -10.9 -47.3 88.3 165 168 A A T 3 S+ 0 0 0 -7,-0.7 -1,-0.3 -5,-0.5 2,-0.2 0.595 89.7 85.5 -77.7 -11.2 -9.1 -48.2 85.0 166 169 A L < - 0 0 4 -3,-1.7 2,-0.3 -8,-0.3 -32,-0.2 -0.525 66.6-147.7 -89.8 158.5 -8.3 -44.5 84.4 167 170 A V B -m 134 0G 0 -34,-2.0 -32,-2.9 -2,-0.2 3,-0.1 -0.886 17.8-128.3-123.4 156.7 -5.2 -42.6 85.7 168 171 A K S S- 0 0 147 -2,-0.3 2,-0.3 -34,-0.2 -1,-0.1 0.823 85.9 -2.5 -73.5 -33.8 -4.8 -39.0 86.8 169 172 A N S > S- 0 0 75 1,-0.1 4,-1.9 -35,-0.1 3,-0.3 -0.965 77.2 -93.6-153.3 168.9 -1.7 -38.4 84.7 170 173 A S H > S+ 0 0 10 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.859 118.6 52.8 -53.9 -44.5 0.8 -39.9 82.3 171 174 A D H > S+ 0 0 100 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.892 107.9 50.3 -62.8 -40.9 3.4 -40.8 85.0 172 175 A E H > S+ 0 0 79 -3,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.905 112.6 49.4 -63.5 -37.8 0.8 -42.6 87.1 173 176 A G H X S+ 0 0 0 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.925 110.1 49.2 -66.3 -44.1 -0.2 -44.5 84.0 174 177 A I H X S+ 0 0 19 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.919 112.4 47.5 -62.5 -44.7 3.4 -45.5 83.1 175 178 A Q H X S+ 0 0 113 -4,-2.5 4,-1.8 1,-0.2 5,-0.2 0.884 110.0 53.9 -64.6 -35.1 4.1 -46.7 86.7 176 179 A R H X S+ 0 0 51 -4,-1.9 4,-2.3 -5,-0.2 6,-0.2 0.877 109.4 48.0 -66.8 -35.0 0.9 -48.7 86.6 177 180 A V H < S+ 0 0 1 -4,-2.0 5,-0.4 1,-0.2 -2,-0.2 0.891 112.6 48.5 -70.9 -40.4 2.0 -50.3 83.3 178 181 A L H < S+ 0 0 61 -4,-2.4 -2,-0.2 -5,-0.1 -1,-0.2 0.770 121.2 35.0 -70.9 -25.1 5.5 -51.1 84.8 179 182 A T H < S+ 0 0 107 -4,-1.8 -2,-0.2 -5,-0.2 2,-0.2 0.843 119.4 24.9-100.4 -38.8 4.0 -52.6 88.0 180 183 A T S < S- 0 0 71 -4,-2.3 2,-1.7 -5,-0.2 0, 0.0 -0.548 94.0 -81.2-118.5-175.7 0.8 -54.4 87.2 181 184 A D S S+ 0 0 62 -2,-0.2 -51,-1.8 -53,-0.1 2,-0.4 -0.615 81.4 131.8 -89.3 79.2 -0.9 -56.1 84.2 182 185 A Y E - l 0 130F 0 -2,-1.7 2,-0.4 -5,-0.4 -51,-0.2 -0.988 44.3-154.6-136.6 141.2 -2.1 -52.8 82.7 183 186 A A E - l 0 131F 0 -53,-2.5 -51,-1.7 -2,-0.4 2,-0.5 -0.928 14.2-145.9-114.9 140.7 -2.1 -51.2 79.3 184 187 A L E -Jl 110 132F 1 -74,-2.8 -74,-2.9 -2,-0.4 2,-0.6 -0.922 6.9-143.6-113.2 121.7 -2.2 -47.4 78.7 185 188 A L E +J 109 0F 2 -53,-3.1 -51,-0.4 -2,-0.5 2,-0.3 -0.720 44.6 157.4 -77.6 120.6 -3.9 -45.8 75.8 186 189 A M E -J 108 0F 7 -78,-2.5 -78,-2.8 -2,-0.6 2,-0.2 -0.972 48.1 -84.4-148.3 156.5 -1.5 -42.9 75.2 187 190 A E E >> -J 107 0F 2 -2,-0.3 4,-1.8 -80,-0.2 3,-1.4 -0.433 39.4-125.8 -66.9 131.9 -0.5 -40.4 72.4 188 191 A S H 3> S+ 0 0 4 -82,-3.9 4,-2.5 1,-0.3 5,-0.2 0.815 107.2 58.9 -46.3 -42.5 2.2 -41.9 70.1 189 192 A T H 3> S+ 0 0 0 1,-0.2 4,-1.5 2,-0.2 -1,-0.3 0.882 109.5 45.2 -58.7 -37.0 4.7 -39.0 70.6 190 193 A S H <> S+ 0 0 14 -3,-1.4 4,-2.4 2,-0.2 -1,-0.2 0.857 109.5 54.4 -75.2 -35.3 4.7 -39.8 74.3 191 194 A I H X S+ 0 0 0 -4,-1.8 4,-3.3 2,-0.2 5,-0.3 0.915 106.4 52.3 -63.9 -42.2 5.0 -43.5 73.9 192 195 A E H X S+ 0 0 64 -4,-2.5 4,-1.4 1,-0.2 -1,-0.2 0.935 109.8 49.8 -58.1 -46.9 8.1 -43.0 71.7 193 196 A Y H < S+ 0 0 26 -4,-1.5 4,-0.3 -5,-0.2 -2,-0.2 0.941 116.0 41.8 -57.5 -49.4 9.6 -40.8 74.5 194 197 A V H >X S+ 0 0 19 -4,-2.4 3,-2.0 1,-0.2 4,-0.7 0.935 111.2 52.2 -66.6 -49.5 8.9 -43.5 77.1 195 198 A T H 3< S+ 0 0 39 -4,-3.3 3,-0.2 1,-0.3 -1,-0.2 0.760 104.7 59.5 -61.2 -22.4 9.9 -46.6 75.2 196 199 A Q T 3< S+ 0 0 141 -4,-1.4 -1,-0.3 -5,-0.3 -2,-0.2 0.605 112.9 38.0 -79.1 -13.2 13.2 -44.9 74.4 197 200 A R T <4 S+ 0 0 127 -3,-2.0 2,-0.3 -4,-0.3 -2,-0.2 0.333 118.4 47.3-118.5 2.6 13.9 -44.7 78.1 198 201 A N >< - 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