==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER MEMBRANE PROTEIN 30-JAN-04 1S7Y . COMPND 2 MOLECULE: GLUTAMATE RECEPTOR, IONOTROPIC KAINATE 2 . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; . AUTHOR M.L.MAYER . 504 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23643.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 337 66.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 30 6.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 58 11.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 20 4.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 155 30.8 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 4 2 0 2 3 0 5 0 2 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 2 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 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 3 A N 0 0 208 0, 0.0 47,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 110.5 21.7 20.5 67.4 2 4 A R - 0 0 161 1,-0.1 46,-0.3 45,-0.1 2,-0.0 -0.272 360.0 -91.2 -68.0 158.2 25.4 20.6 66.6 3 5 A S - 0 0 38 44,-0.1 46,-0.3 1,-0.1 2,-0.3 -0.347 42.2-115.5 -67.7 152.3 26.4 22.1 63.3 4 6 A L E -a 49 0A 5 44,-3.0 46,-2.4 -3,-0.1 2,-0.6 -0.670 19.6-130.2 -88.5 147.4 26.7 19.7 60.3 5 7 A I E -a 50 0A 49 -2,-0.3 77,-3.0 44,-0.2 78,-1.5 -0.880 24.6-165.4 -98.5 121.5 30.1 19.2 58.7 6 8 A V E -ab 51 83A 1 44,-2.9 46,-3.1 -2,-0.6 2,-0.3 -0.944 4.3-154.1-113.4 117.3 29.8 19.6 54.9 7 9 A T E +ab 52 84A 0 76,-2.7 78,-1.7 -2,-0.6 2,-0.3 -0.643 25.8 154.1 -88.7 147.9 32.7 18.4 52.8 8 10 A T E -a 53 0A 2 44,-1.8 46,-2.8 -2,-0.3 2,-0.3 -0.872 31.2-124.1-154.1-174.2 33.3 20.0 49.4 9 11 A I - 0 0 17 -2,-0.3 2,-0.4 76,-0.2 44,-0.0 -0.995 30.8 -99.9-145.4 146.7 36.0 20.7 46.8 10 12 A L + 0 0 75 -2,-0.3 2,-0.2 44,-0.1 6,-0.2 -0.530 59.1 140.2 -69.1 123.3 37.4 23.7 45.1 11 13 A E B >> -E 15 0B 19 4,-2.3 4,-2.5 -2,-0.4 3,-1.7 -0.698 49.3 -95.0-168.5 109.9 35.9 24.0 41.6 12 14 A E T 34 S+ 0 0 104 1,-0.3 183,-0.1 2,-0.2 4,-0.1 -0.494 100.4 7.5 -74.0 140.1 34.8 27.2 39.8 13 15 A P T 34 S+ 0 0 3 0, 0.0 20,-2.3 0, 0.0 -1,-0.3 -0.873 128.1 54.9-100.2 24.8 32.0 28.3 39.7 14 16 A Y T <4 S+ 0 0 0 -3,-1.7 20,-1.4 1,-0.3 21,-1.0 0.898 121.7 6.3 -79.5 -43.7 30.5 25.9 42.2 15 17 A V B < S+E 11 0B 1 -4,-2.5 -4,-2.3 19,-0.2 -1,-0.3 -0.976 72.9 145.6-145.9 127.4 33.0 26.5 45.1 16 18 A L E -F 31 0C 40 15,-2.1 15,-2.1 -2,-0.3 2,-0.4 -0.961 52.3 -88.2-153.4 164.8 35.7 29.0 45.5 17 19 A F E -F 30 0C 115 -2,-0.3 2,-0.3 13,-0.2 13,-0.3 -0.671 46.4-123.0 -77.8 128.6 37.4 31.2 48.1 18 20 A K - 0 0 81 11,-3.0 2,-0.3 -2,-0.4 6,-0.1 -0.580 24.0-136.0 -75.0 132.7 35.6 34.5 48.5 19 21 A K + 0 0 191 -2,-0.3 2,-0.3 2,-0.0 -1,-0.0 -0.715 36.6 150.5 -91.3 139.8 37.9 37.5 48.0 20 22 A S - 0 0 65 -2,-0.3 4,-0.1 1,-0.1 9,-0.0 -0.982 49.2-133.3-164.2 155.9 37.8 40.4 50.3 21 23 A D S S+ 0 0 135 -2,-0.3 -1,-0.1 2,-0.1 3,-0.1 0.863 94.9 60.8 -80.4 -39.7 39.9 43.2 51.8 22 24 A K S S- 0 0 139 1,-0.1 0, 0.0 0, 0.0 0, 0.0 -0.660 106.1 -87.7 -90.2 144.7 38.6 42.6 55.4 23 25 A P - 0 0 92 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.202 43.5-143.4 -51.3 135.0 39.2 39.2 57.1 24 26 A L - 0 0 40 -4,-0.1 2,-0.3 -6,-0.1 5,-0.1 -0.792 15.8-164.7-104.4 147.9 36.4 36.7 56.4 25 27 A Y > - 0 0 176 -2,-0.3 3,-1.5 0, 0.0 4,-0.1 -0.936 42.7 -20.0-133.7 155.1 35.1 34.1 58.9 26 28 A G G > S- 0 0 40 -2,-0.3 3,-1.7 1,-0.3 4,-0.2 -0.139 123.6 -8.5 54.8-140.6 33.1 31.0 58.9 27 29 A N G > S+ 0 0 50 1,-0.3 3,-1.2 22,-0.2 -1,-0.3 0.668 124.3 74.2 -64.5 -16.8 30.8 30.2 55.9 28 30 A D G < S+ 0 0 73 -3,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.569 78.6 75.8 -73.6 -8.8 31.5 33.7 54.5 29 31 A R G < S+ 0 0 108 -3,-1.7 -11,-3.0 -4,-0.1 2,-0.3 0.695 96.0 54.3 -75.2 -18.5 35.0 32.5 53.4 30 32 A F E < +F 17 0C 12 -3,-1.2 2,-0.3 -13,-0.3 -13,-0.2 -0.811 60.7 173.3-117.1 158.7 33.4 30.6 50.5 31 33 A E E +F 16 0C 55 -15,-2.1 -15,-2.1 -2,-0.3 2,-0.2 -0.964 22.4 95.1-153.6 164.7 31.1 31.4 47.6 32 34 A G S > S- 0 0 0 -2,-0.3 4,-2.3 -17,-0.2 -18,-0.3 -0.725 80.9 -58.6 136.4 174.2 29.7 29.8 44.5 33 35 A Y H > S+ 0 0 2 -20,-2.3 4,-2.0 1,-0.2 -19,-0.2 0.905 133.3 44.7 -54.6 -47.3 26.7 27.9 43.1 34 36 A C H > S+ 0 0 0 -20,-1.4 4,-2.7 2,-0.2 -1,-0.2 0.800 110.3 54.8 -70.5 -29.0 27.1 25.1 45.7 35 37 A I H > S+ 0 0 3 -21,-1.0 4,-1.9 2,-0.2 -1,-0.2 0.886 110.0 46.9 -71.7 -36.8 27.7 27.5 48.5 36 38 A D H X S+ 0 0 16 -4,-2.3 4,-1.9 -22,-0.2 -2,-0.2 0.881 112.8 50.4 -68.2 -38.6 24.4 29.3 47.6 37 39 A L H X S+ 0 0 0 -4,-2.0 4,-2.6 -5,-0.2 -2,-0.2 0.958 109.1 50.3 -63.7 -49.6 22.7 25.9 47.4 38 40 A L H X S+ 0 0 3 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.890 108.7 52.9 -56.1 -42.0 24.0 24.8 50.8 39 41 A R H X S+ 0 0 108 -4,-1.9 4,-1.6 1,-0.2 -1,-0.2 0.920 110.2 47.4 -60.6 -44.5 22.8 28.1 52.3 40 42 A E H X S+ 0 0 55 -4,-1.9 4,-2.3 1,-0.2 5,-0.2 0.897 110.6 52.1 -63.5 -42.2 19.2 27.5 51.0 41 43 A L H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 5,-0.3 0.933 107.1 53.7 -60.2 -45.1 19.2 24.0 52.2 42 44 A S H X>S+ 0 0 13 -4,-2.4 5,-1.9 1,-0.2 4,-1.0 0.841 112.9 40.8 -61.1 -37.5 20.2 25.1 55.7 43 45 A T H <5S+ 0 0 100 -4,-1.6 -1,-0.2 3,-0.2 -2,-0.2 0.868 116.7 48.1 -80.7 -36.2 17.4 27.6 56.1 44 46 A I H <5S+ 0 0 59 -4,-2.3 -2,-0.2 -5,-0.2 -3,-0.2 0.896 124.8 31.2 -67.8 -40.8 14.7 25.4 54.5 45 47 A L H <5S- 0 0 53 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.570 108.7-121.5 -96.1 -12.1 15.7 22.4 56.6 46 48 A G T <5 + 0 0 62 -4,-1.0 2,-0.3 -5,-0.3 -3,-0.2 0.987 60.6 126.5 71.4 63.4 16.9 24.2 59.7 47 49 A F < - 0 0 22 -5,-1.9 2,-0.3 -6,-0.1 -1,-0.2 -0.972 47.5-137.4-144.6 156.2 20.5 23.3 60.4 48 50 A T - 0 0 82 -2,-0.3 -44,-3.0 -46,-0.3 2,-0.3 -0.754 30.9-175.8-107.5 161.2 23.7 25.1 60.9 49 51 A Y E -a 4 0A 20 -46,-0.3 2,-0.4 -2,-0.3 -44,-0.2 -0.967 26.4-140.0-155.3 170.1 26.9 24.0 59.2 50 52 A E E -a 5 0A 115 -46,-2.4 -44,-2.9 -2,-0.3 2,-0.4 -0.995 26.7-127.6-135.3 136.2 30.6 24.3 58.7 51 53 A I E -a 6 0A 14 -2,-0.4 2,-0.4 -46,-0.2 -44,-0.2 -0.737 25.1-175.1 -91.6 130.9 32.4 23.9 55.3 52 54 A R E -a 7 0A 58 -46,-3.1 -44,-1.8 -2,-0.4 2,-0.5 -0.965 21.9-132.4-124.3 138.2 35.3 21.5 55.1 53 55 A L E -a 8 0A 57 -2,-0.4 -44,-0.2 -46,-0.2 -46,-0.1 -0.800 39.9 -99.7 -91.4 129.3 37.5 21.0 52.0 54 56 A V > - 0 0 10 -46,-2.8 3,-1.5 -2,-0.5 -44,-0.1 -0.251 34.2-139.2 -48.9 121.5 38.0 17.3 51.2 55 57 A E T 3 S+ 0 0 152 1,-0.3 -1,-0.1 16,-0.1 17,-0.0 0.785 96.9 44.9 -59.4 -36.2 41.5 16.5 52.7 56 58 A D T 3 S- 0 0 73 2,-0.2 -1,-0.3 15,-0.0 3,-0.1 0.400 107.2-123.8 -90.6 5.6 42.9 14.3 49.9 57 59 A G < + 0 0 43 -3,-1.5 2,-0.3 1,-0.2 -2,-0.1 0.675 67.7 123.9 64.3 22.0 41.7 16.7 47.3 58 60 A K - 0 0 42 1,-0.1 14,-1.3 113,-0.0 -1,-0.2 -0.805 61.1-145.6-119.0 157.1 39.6 14.1 45.4 59 61 A Y - 0 0 9 78,-0.3 14,-1.5 -2,-0.3 13,-0.6 0.946 66.9 -87.7 -77.4 -54.5 36.1 13.5 44.3 60 62 A G + 0 0 0 78,-2.3 2,-0.3 11,-0.2 11,-0.2 -0.186 50.0 167.0 142.8 125.1 36.2 9.8 44.7 61 63 A A - 0 0 1 -2,-0.1 9,-0.9 7,-0.1 2,-0.4 -0.970 37.6-104.4-150.0 159.2 37.1 6.5 43.1 62 64 A Q B -G 69 0D 101 -2,-0.3 7,-0.3 7,-0.2 2,-0.2 -0.738 36.0-117.5 -92.2 134.6 37.6 2.9 44.2 63 65 A D > - 0 0 65 5,-3.4 4,-1.1 -2,-0.4 -1,-0.0 -0.492 11.0-143.0 -72.0 134.0 41.2 1.5 44.5 64 66 A D T 4 S+ 0 0 111 -2,-0.2 -1,-0.1 2,-0.2 -2,-0.0 0.909 96.6 41.8 -61.9 -43.8 42.0 -1.4 42.1 65 67 A V T 4 S+ 0 0 135 1,-0.1 -1,-0.1 3,-0.1 -3,-0.0 1.000 132.0 14.8 -67.5 -76.7 44.2 -3.1 44.8 66 68 A N T 4 S- 0 0 94 2,-0.1 -2,-0.2 1,-0.1 -1,-0.1 0.439 92.4-130.5 -82.9 -1.9 42.4 -2.8 48.1 67 69 A G < + 0 0 28 -4,-1.1 2,-0.1 1,-0.2 -3,-0.1 0.576 58.3 142.4 64.7 9.1 39.0 -1.8 46.7 68 70 A Q - 0 0 100 -6,-0.1 -5,-3.4 1,-0.1 -1,-0.2 -0.463 46.7-124.2 -82.7 155.1 38.7 1.1 49.1 69 71 A W B -G 62 0D 20 -7,-0.3 2,-0.2 -2,-0.1 -7,-0.2 -0.540 23.4-169.8 -93.5 161.9 37.3 4.5 48.1 70 72 A N > + 0 0 32 -9,-0.9 4,-1.6 -2,-0.2 3,-0.4 -0.623 44.2 38.0-132.0-168.2 38.9 7.9 48.5 71 73 A G H > S- 0 0 1 1,-0.2 4,-1.8 2,-0.2 -12,-0.3 -0.091 115.9 -27.9 63.0-156.2 37.8 11.6 48.2 72 74 A M H > S+ 0 0 0 -14,-1.3 4,-1.9 -13,-0.6 -1,-0.2 0.865 136.0 61.4 -63.8 -35.8 34.6 13.0 49.3 73 75 A V H > S+ 0 0 0 -14,-1.5 4,-2.0 -3,-0.4 -1,-0.2 0.929 107.0 44.9 -55.5 -47.2 32.9 9.6 48.8 74 76 A R H X S+ 0 0 67 -4,-1.6 4,-2.6 1,-0.2 -1,-0.2 0.869 107.3 57.8 -66.4 -39.4 35.3 8.1 51.4 75 77 A E H <>S+ 0 0 12 -4,-1.8 5,-3.1 1,-0.2 6,-0.8 0.879 109.1 46.7 -60.4 -34.8 34.8 11.0 53.8 76 78 A L H ><5S+ 0 0 0 -4,-1.9 3,-1.5 3,-0.2 -2,-0.2 0.923 109.9 52.7 -71.8 -44.1 31.1 10.2 53.8 77 79 A I H 3<5S+ 0 0 61 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.906 112.6 44.8 -57.1 -43.4 31.6 6.5 54.3 78 80 A D T 3<5S- 0 0 66 -4,-2.6 -1,-0.3 -5,-0.1 -2,-0.2 0.352 113.5-118.5 -84.4 6.9 33.8 7.1 57.3 79 81 A H T < 5S+ 0 0 140 -3,-1.5 -3,-0.2 -5,-0.2 -2,-0.1 0.853 73.3 134.3 58.4 37.0 31.3 9.7 58.7 80 82 A K S - 0 0 28 -2,-0.6 4,-2.2 1,-0.1 5,-0.2 -0.942 46.1-118.8-133.6 157.4 26.8 7.2 39.7 92 94 A Y H > S+ 0 0 171 -2,-0.3 4,-0.6 1,-0.2 -1,-0.1 0.917 114.2 48.9 -58.2 -47.7 25.8 3.5 40.1 93 95 A V H >4 S+ 0 0 24 1,-0.2 3,-0.7 2,-0.2 4,-0.4 0.882 112.5 48.0 -63.1 -38.2 29.1 2.5 41.7 94 96 A R H >> S+ 0 0 3 1,-0.2 4,-2.3 2,-0.2 3,-1.6 0.878 103.3 62.0 -70.0 -35.1 29.0 5.4 44.2 95 97 A E H 3< S+ 0 0 92 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.635 93.0 66.3 -64.6 -14.8 25.3 4.6 45.1 96 98 A K T << S+ 0 0 129 -3,-0.7 -1,-0.3 -4,-0.6 -2,-0.2 0.788 117.1 23.1 -76.6 -25.2 26.6 1.2 46.3 97 99 A V T <4 S+ 0 0 41 -3,-1.6 124,-0.6 -4,-0.4 2,-0.3 0.651 128.3 24.2-115.1 -22.7 28.5 2.9 49.2 98 100 A I E < S-D 220 0A 0 -4,-2.3 2,-0.3 122,-0.2 -1,-0.2 -0.905 73.9-116.1-137.6 166.1 26.8 6.4 49.8 99 101 A D E -D 219 0A 25 120,-2.0 120,-2.4 -2,-0.3 2,-0.3 -0.755 23.0-156.7-104.8 154.1 23.4 7.9 49.2 100 102 A F E -D 218 0A 11 -2,-0.3 118,-0.2 118,-0.2 2,-0.1 -0.936 13.6-128.9-128.5 152.2 22.5 10.8 46.9 101 103 A S - 0 0 6 116,-1.9 126,-0.1 -2,-0.3 3,-0.1 -0.229 53.4 -74.9 -82.7-179.3 19.6 13.3 46.8 102 104 A K S S- 0 0 128 124,-0.2 115,-0.4 1,-0.1 -1,-0.2 -0.431 71.6 -80.8 -70.9 160.0 17.8 13.8 43.6 103 105 A P - 0 0 36 0, 0.0 113,-0.2 0, 0.0 -1,-0.1 -0.292 32.1-167.1 -66.9 146.5 19.9 15.8 41.1 104 106 A F S S+ 0 0 3 111,-2.5 2,-0.3 1,-0.3 112,-0.1 0.417 80.7 20.0-107.4 -2.0 20.1 19.6 41.3 105 107 A M E -I 215 0E 19 110,-0.8 110,-2.2 2,-0.0 2,-0.3 -0.960 69.6-143.1-164.2 142.5 21.7 19.8 37.8 106 108 A T E +I 214 0E 57 -2,-0.3 2,-0.3 108,-0.2 108,-0.2 -0.856 31.9 140.4-113.6 150.4 22.0 17.5 34.8 107 109 A L E -I 213 0E 8 106,-2.6 106,-2.8 -2,-0.3 2,-0.3 -0.925 29.8-136.1-164.7-173.7 25.0 17.1 32.5 108 110 A G - 0 0 0 -2,-0.3 82,-3.2 104,-0.2 2,-0.2 -0.981 31.3 -91.8-156.3 161.5 27.1 14.8 30.4 109 111 A I E +J 189 0F 0 -2,-0.3 101,-3.6 80,-0.2 102,-0.6 -0.571 53.9 154.1 -76.8 141.5 30.8 13.9 29.7 110 112 A S E -J 188 0F 0 78,-2.5 78,-1.9 -2,-0.2 2,-0.4 -0.849 39.6 -88.7-151.3-172.6 32.2 15.7 26.6 111 113 A I E -JK 187 206F 3 95,-0.9 95,-2.6 97,-0.3 2,-0.5 -0.908 21.9-159.9-116.3 136.2 35.5 16.9 25.1 112 114 A L E +JK 186 205F 0 74,-2.9 74,-2.8 -2,-0.4 2,-0.3 -0.936 32.0 139.0-111.0 132.7 37.3 20.3 25.6 113 115 A Y E - K 0 204F 5 91,-2.1 91,-2.6 -2,-0.5 2,-0.2 -0.926 54.8 -74.7-158.9 176.9 39.9 21.2 23.0 114 116 A R E - K 0 203F 85 -2,-0.3 3,-0.3 89,-0.2 89,-0.2 -0.549 49.0-121.7 -80.9 150.2 41.1 24.2 20.9 115 117 A K S S+ 0 0 94 87,-1.9 375,-0.1 -2,-0.2 -1,-0.1 -0.320 87.6 54.7 -84.0 174.4 39.0 25.3 18.1 116 118 A G S S+ 0 0 48 374,-0.3 -1,-0.2 373,-0.3 374,-0.1 0.730 84.5 114.0 76.0 20.8 40.2 25.5 14.5 117 119 A T S S- 0 0 15 -3,-0.3 -1,-0.3 2,-0.2 -4,-0.0 -0.746 75.3-118.7-119.2 168.6 41.3 21.8 14.4 118 120 A P S S+ 0 0 95 0, 0.0 2,-0.5 0, 0.0 372,-0.1 0.412 77.8 112.2 -86.3 1.3 40.0 18.8 12.5 119 121 A I + 0 0 13 1,-0.2 -2,-0.2 371,-0.1 88,-0.1 -0.656 31.3 159.6 -77.8 123.1 39.1 16.9 15.6 120 122 A D + 0 0 20 -2,-0.5 2,-0.3 1,-0.2 87,-0.2 0.463 56.0 9.1-124.2 -4.7 35.3 16.6 15.6 121 123 A S S > S- 0 0 26 86,-0.1 4,-1.2 85,-0.1 -1,-0.2 -0.958 77.8 -93.1-162.5 176.9 34.5 13.7 17.9 122 124 A A H > S+ 0 0 11 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.819 123.4 59.4 -69.7 -30.8 35.8 11.2 20.5 123 125 A D H > S+ 0 0 94 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.917 100.5 54.7 -63.3 -41.7 36.3 8.8 17.5 124 126 A D H 4 S+ 0 0 27 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.857 112.5 43.4 -60.1 -35.6 38.6 11.3 16.0 125 127 A L H >< S+ 0 0 0 -4,-1.2 3,-1.2 1,-0.2 -2,-0.2 0.894 112.2 51.9 -76.2 -42.0 40.7 11.3 19.2 126 128 A A H 3< S+ 0 0 7 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.723 101.4 60.6 -68.6 -23.9 40.7 7.5 19.7 127 129 A K T 3< S+ 0 0 159 -4,-1.7 2,-0.3 -5,-0.2 -1,-0.2 0.367 105.3 54.1 -87.3 5.5 41.9 6.7 16.1 128 130 A Q < - 0 0 39 -3,-1.2 0, 0.0 3,-0.1 0, 0.0 -0.981 56.0-163.7-138.4 150.8 45.1 8.6 16.6 129 131 A T S S+ 0 0 99 -2,-0.3 -1,-0.1 1,-0.1 -3,-0.1 0.306 77.4 78.5-114.4 6.4 47.9 8.5 19.2 130 132 A K S S+ 0 0 165 1,-0.1 2,-0.4 -5,-0.1 53,-0.1 0.947 85.2 60.1 -78.2 -53.6 49.7 11.8 18.5 131 133 A I S S- 0 0 17 -6,-0.1 53,-0.2 53,-0.1 2,-0.2 -0.655 84.3-142.5 -77.5 124.9 47.2 14.1 20.3 132 134 A E E -l 184 0F 47 51,-2.1 53,-2.8 -2,-0.4 2,-0.3 -0.531 20.9-178.8 -88.5 157.8 47.1 13.1 24.0 133 135 A Y E +l 185 0F 4 51,-0.2 2,-0.2 -2,-0.2 53,-0.2 -0.991 9.1 148.0-152.6 153.4 43.9 13.2 26.1 134 136 A G E -l 186 0F 0 51,-1.5 53,-2.7 -2,-0.3 2,-0.3 -0.822 24.8-130.8-160.6-158.6 42.9 12.5 29.6 135 137 A A - 0 0 0 32,-0.3 34,-2.3 -2,-0.2 2,-0.4 -0.892 45.6 -59.4-157.6-178.2 40.7 13.4 32.6 136 138 A V B > -m 169 0G 2 51,-0.4 3,-1.0 -2,-0.3 6,-0.5 -0.633 60.4-118.2 -76.0 128.0 40.6 14.2 36.3 137 139 A E T 3 S+ 0 0 41 32,-3.2 -78,-0.3 -2,-0.4 -77,-0.2 -0.330 91.9 11.5 -66.6 148.3 42.1 11.4 38.2 138 140 A D T 3 S+ 0 0 25 1,-0.2 -78,-2.3 -80,-0.1 -79,-0.3 0.777 104.5 117.0 54.6 32.7 39.9 9.6 40.7 139 141 A G S <> S- 0 0 0 -3,-1.0 4,-1.8 -80,-0.2 -1,-0.2 -0.644 81.5 -95.5-119.3 178.9 36.8 11.2 39.4 140 142 A A H > S+ 0 0 4 365,-2.6 4,-2.1 -2,-0.2 5,-0.1 0.840 119.6 53.9 -66.4 -35.4 33.5 10.1 37.7 141 143 A T H > S+ 0 0 0 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.936 109.0 47.9 -65.7 -45.9 34.8 10.7 34.1 142 144 A M H > S+ 0 0 7 -6,-0.5 4,-2.4 1,-0.2 -1,-0.2 0.917 112.9 49.9 -59.5 -43.2 37.9 8.6 34.6 143 145 A T H X S+ 0 0 22 -4,-1.8 4,-1.8 2,-0.2 -1,-0.2 0.858 104.7 58.2 -64.1 -37.1 35.7 5.8 36.1 144 146 A F H X S+ 0 0 49 -4,-2.1 4,-0.8 1,-0.2 -1,-0.2 0.945 111.7 40.6 -58.9 -47.8 33.3 6.0 33.2 145 147 A F H >< S+ 0 0 1 -4,-2.0 3,-0.6 1,-0.2 12,-0.2 0.902 111.6 56.4 -68.7 -38.2 36.1 5.2 30.8 146 148 A K H 3< S+ 0 0 71 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.800 117.3 35.0 -63.2 -29.4 37.7 2.6 33.1 147 149 A K H 3< S+ 0 0 128 -4,-1.8 -1,-0.2 -3,-0.2 -2,-0.2 0.442 90.6 122.6-105.3 -0.7 34.5 0.7 33.2 148 150 A S << - 0 0 16 -4,-0.8 -3,-0.0 -3,-0.6 9,-0.0 -0.294 39.4-171.6 -67.4 146.6 33.3 1.3 29.6 149 151 A K + 0 0 200 5,-0.0 2,-0.7 4,-0.0 -1,-0.1 0.274 54.3 111.5-115.5 2.6 32.5 -1.7 27.3 150 152 A I S >> S- 0 0 91 1,-0.1 4,-2.6 2,-0.0 3,-0.8 -0.736 73.4-130.7 -82.5 116.2 32.1 0.5 24.3 151 153 A S H 3> S+ 0 0 93 -2,-0.7 4,-2.1 1,-0.2 5,-0.3 0.792 103.8 48.8 -33.1 -55.4 35.0 -0.2 21.9 152 154 A T H 3> S+ 0 0 25 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.925 116.9 41.4 -57.1 -47.4 35.9 3.5 21.3 153 155 A Y H <> S+ 0 0 40 -3,-0.8 4,-1.8 1,-0.2 -1,-0.2 0.817 111.9 57.4 -70.4 -31.3 35.8 4.3 25.0 154 156 A D H X S+ 0 0 87 -4,-2.6 4,-1.4 2,-0.2 -1,-0.2 0.854 109.3 43.1 -69.0 -36.4 37.6 1.1 25.9 155 157 A K H X S+ 0 0 111 -4,-2.1 4,-1.7 -5,-0.3 -1,-0.2 0.784 110.1 57.5 -80.3 -26.4 40.6 1.9 23.7 156 158 A M H X S+ 0 0 0 -4,-1.4 4,-2.7 -5,-0.3 -2,-0.2 0.891 108.1 47.5 -68.9 -36.8 40.6 5.4 24.9 157 159 A W H X S+ 0 0 29 -4,-1.8 4,-3.3 2,-0.2 5,-0.3 0.869 106.3 55.9 -70.9 -37.1 41.0 4.1 28.5 158 160 A A H X S+ 0 0 57 -4,-1.4 4,-1.8 2,-0.2 -1,-0.2 0.910 111.7 46.9 -59.6 -38.5 43.8 1.7 27.4 159 161 A F H X S+ 0 0 19 -4,-1.7 4,-0.7 2,-0.2 -2,-0.2 0.966 114.2 44.2 -65.7 -56.3 45.5 4.8 26.2 160 162 A M H >< S+ 0 0 0 -4,-2.7 3,-1.3 1,-0.2 7,-0.3 0.932 113.7 50.9 -55.8 -48.7 44.9 6.9 29.3 161 163 A S H >< S+ 0 0 54 -4,-3.3 3,-1.3 1,-0.3 -1,-0.2 0.878 106.0 54.8 -58.2 -41.3 45.9 4.1 31.6 162 164 A S H 3< S+ 0 0 90 -4,-1.8 -1,-0.3 -5,-0.3 -2,-0.2 0.610 121.5 30.7 -69.8 -12.0 49.2 3.5 29.7 163 165 A R T XX S+ 0 0 84 -3,-1.3 4,-2.3 -4,-0.7 3,-1.4 -0.062 80.9 142.1-134.6 29.6 50.1 7.1 30.2 164 166 A R H <> + 0 0 66 -3,-1.3 4,-2.4 1,-0.3 -2,-0.1 0.821 69.5 47.2 -40.8 -55.0 48.3 7.7 33.5 165 167 A Q H 34 S+ 0 0 197 1,-0.2 -1,-0.3 -4,-0.2 -4,-0.1 0.743 117.7 43.8 -66.8 -22.1 50.9 10.0 35.2 166 168 A S H <4 S+ 0 0 76 -3,-1.4 -2,-0.2 -6,-0.2 -1,-0.2 0.781 125.8 26.4 -92.5 -31.1 51.3 12.1 32.0 167 169 A V H < S+ 0 0 0 -4,-2.3 2,-0.5 -7,-0.3 -32,-0.3 0.644 99.4 81.2-110.9 -17.3 47.6 12.5 31.0 168 170 A L < - 0 0 12 -4,-2.4 2,-0.2 -5,-0.3 -32,-0.2 -0.817 66.3-160.6 -91.7 129.3 45.4 12.2 34.2 169 171 A V B -m 136 0G 4 -34,-2.3 -32,-3.2 -2,-0.5 3,-0.1 -0.661 27.0-124.7-110.1 165.0 45.3 15.5 36.1 170 172 A K S S+ 0 0 97 -2,-0.2 2,-0.3 -34,-0.2 -34,-0.1 0.644 89.2 9.1 -80.5 -16.5 44.4 16.5 39.7 171 173 A S S > S- 0 0 42 1,-0.1 4,-1.9 -36,-0.1 5,-0.1 -0.989 72.3-108.4-158.6 162.3 41.8 19.1 38.7 172 174 A N H > S+ 0 0 3 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.891 118.6 58.4 -59.9 -39.6 39.7 20.5 35.9 173 175 A E H > S+ 0 0 95 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.904 104.8 48.7 -57.3 -43.9 41.9 23.6 36.1 174 176 A E H > S+ 0 0 89 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.909 111.0 51.8 -63.3 -41.0 45.1 21.6 35.4 175 177 A G H X S+ 0 0 0 -4,-1.9 4,-1.4 1,-0.2 -2,-0.2 0.885 107.7 51.3 -62.2 -40.6 43.3 19.9 32.5 176 178 A I H X S+ 0 0 18 -4,-2.5 4,-1.6 1,-0.2 -1,-0.2 0.892 110.2 49.1 -64.2 -41.9 42.3 23.3 31.0 177 179 A Q H X S+ 0 0 93 -4,-2.1 4,-0.6 1,-0.2 -1,-0.2 0.869 107.3 55.0 -65.4 -37.2 45.9 24.5 31.2 178 180 A R H X S+ 0 0 51 -4,-2.0 4,-0.7 1,-0.2 3,-0.4 0.835 107.6 51.0 -64.3 -33.4 47.2 21.3 29.6 179 181 A V H < S+ 0 0 0 -4,-1.4 5,-0.3 1,-0.2 3,-0.3 0.849 110.5 48.6 -72.1 -36.3 44.8 22.0 26.7 180 182 A L H < S+ 0 0 59 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.511 119.7 36.6 -82.6 -5.0 46.1 25.6 26.3 181 183 A T H < S+ 0 0 104 -4,-0.6 2,-0.3 -3,-0.4 -1,-0.2 0.344 117.8 24.2-130.6 6.6 49.8 24.6 26.3 182 184 A S S < S- 0 0 40 -4,-0.7 2,-2.6 -3,-0.3 -1,-0.2 -0.986 91.6 -79.7-162.3 167.8 50.0 21.3 24.5 183 185 A D S S+ 0 0 69 -2,-0.3 -51,-2.1 -53,-0.1 2,-0.4 -0.496 82.4 135.1 -74.1 79.7 48.5 19.0 21.9 184 186 A Y E - l 0 132F 0 -2,-2.6 2,-0.4 -5,-0.3 -51,-0.2 -0.994 44.5-158.5-139.5 133.5 46.0 17.8 24.5 185 187 A A E - l 0 133F 0 -53,-2.8 -51,-1.5 -2,-0.4 2,-0.5 -0.888 18.3-146.1-107.5 138.7 42.2 17.1 24.5 186 188 A F E -Jl 112 134F 0 -74,-2.8 -74,-2.9 -2,-0.4 2,-0.8 -0.912 5.1-146.8-115.7 125.3 40.4 17.0 27.9 187 189 A L E +J 111 0F 0 -53,-2.7 -51,-0.4 -2,-0.5 2,-0.3 -0.771 43.1 144.6 -85.8 111.5 37.4 14.8 28.8 188 190 A M E -J 110 0F 0 -78,-1.9 -78,-2.5 -2,-0.8 2,-0.2 -0.917 51.9 -73.2-144.2 171.1 35.3 16.9 31.2 189 191 A E E >> -J 109 0F 2 -2,-0.3 4,-2.0 -80,-0.2 3,-1.4 -0.464 37.2-128.1 -74.4 133.7 31.7 17.6 32.2 190 192 A S H 3> S+ 0 0 20 -82,-3.2 4,-2.2 1,-0.3 5,-0.1 0.780 106.1 57.9 -48.9 -38.4 29.5 19.7 29.9 191 193 A T H 3> S+ 0 0 6 1,-0.2 4,-1.1 2,-0.2 -1,-0.3 0.847 110.9 43.6 -64.9 -32.9 28.4 22.1 32.6 192 194 A T H <> S+ 0 0 2 -3,-1.4 4,-2.5 2,-0.2 -2,-0.2 0.854 110.0 54.9 -79.9 -35.4 32.1 23.0 33.3 193 195 A I H X S+ 0 0 1 -4,-2.0 4,-3.0 1,-0.2 5,-0.3 0.902 104.9 55.7 -61.4 -40.9 32.9 23.2 29.6 194 196 A E H X S+ 0 0 76 -4,-2.2 4,-1.0 1,-0.2 -1,-0.2 0.894 109.9 45.1 -56.3 -45.4 30.1 25.7 29.2 195 197 A F H < S+ 0 0 12 -4,-1.1 4,-0.4 2,-0.2 -1,-0.2 0.917 115.7 47.2 -65.7 -45.5 31.7 27.9 31.8 196 198 A V H >X S+ 0 0 13 -4,-2.5 3,-1.5 1,-0.2 4,-0.8 0.925 110.3 48.4 -64.4 -50.9 35.2 27.5 30.4 197 199 A T H 3< S+ 0 0 44 -4,-3.0 -1,-0.2 1,-0.3 6,-0.2 0.762 104.5 62.2 -63.8 -25.4 34.4 28.2 26.7 198 200 A Q T 3< S+ 0 0 124 -4,-1.0 -1,-0.3 -5,-0.3 -2,-0.2 0.677 113.9 35.1 -73.5 -16.2 32.5 31.3 27.7 199 201 A R T <4 S+ 0 0 116 -3,-1.5 2,-0.3 -4,-0.4 -2,-0.2 0.428 116.7 52.0-118.4 -0.7 35.7 32.7 29.1 200 202 A N >< - 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