==== 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 12-FEB-04 1SD3 . COMPND 2 MOLECULE: GLUTAMATE RECEPTOR, IONOTROPIC KAINATE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; . AUTHOR M.L.MAYER . 502 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23788.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 334 66.5 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 11.6 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 . 39 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 155 30.9 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 0 220 0, 0.0 2,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 34.2 21.2 20.3 67.5 2 4 A R - 0 0 150 1,-0.1 46,-0.3 45,-0.0 2,-0.1 -0.428 360.0 -94.0 -79.0 156.8 24.9 20.4 66.6 3 5 A S - 0 0 42 -2,-0.1 46,-0.3 44,-0.1 2,-0.2 -0.376 41.8-114.6 -69.4 150.1 25.9 22.0 63.3 4 6 A L E -a 49 0A 5 44,-2.9 46,-2.4 -3,-0.1 2,-0.7 -0.595 18.8-128.7 -86.5 147.9 26.4 19.6 60.3 5 7 A I E -a 50 0A 51 -2,-0.2 77,-2.8 44,-0.2 78,-1.6 -0.880 25.6-164.6 -97.7 118.3 29.8 19.1 58.8 6 8 A V E -ab 51 83A 1 44,-3.0 46,-3.0 -2,-0.7 2,-0.3 -0.917 2.9-156.1-109.7 117.7 29.5 19.6 55.0 7 9 A T E +ab 52 84A 0 76,-2.9 78,-1.6 -2,-0.6 2,-0.3 -0.659 26.0 149.8 -90.8 147.1 32.4 18.4 52.9 8 10 A T E -a 53 0A 2 44,-1.6 46,-2.9 -2,-0.3 2,-0.3 -0.878 32.9-121.9-156.7-173.4 33.0 20.0 49.5 9 11 A I - 0 0 18 -2,-0.3 2,-0.3 76,-0.2 6,-0.1 -0.997 30.8 -98.7-146.0 147.3 35.7 20.7 47.0 10 12 A L + 0 0 76 -2,-0.3 2,-0.2 44,-0.1 6,-0.2 -0.511 58.8 143.3 -67.6 123.9 37.1 23.8 45.2 11 13 A E B >> -E 15 0B 19 4,-2.5 4,-2.7 -2,-0.3 3,-1.8 -0.724 48.8 -95.5-165.7 107.9 35.6 24.0 41.8 12 14 A E T 34 S+ 0 0 109 1,-0.3 183,-0.1 2,-0.2 20,-0.1 -0.491 100.3 5.0 -73.1 138.9 34.6 27.2 40.0 13 15 A P T 34 S+ 0 0 3 0, 0.0 20,-2.6 0, 0.0 -1,-0.3 -0.836 128.4 56.4-103.3 28.4 31.8 28.4 39.9 14 16 A Y T <4 S+ 0 0 0 -3,-1.8 20,-1.3 1,-0.3 21,-1.0 0.905 121.6 6.2 -80.8 -44.3 30.3 25.9 42.3 15 17 A V B < S+E 11 0B 1 -4,-2.7 -4,-2.5 19,-0.2 -1,-0.3 -0.976 74.3 143.1-146.1 126.5 32.7 26.5 45.2 16 18 A L E -F 31 0C 41 15,-2.1 15,-2.2 -2,-0.4 2,-0.4 -0.977 53.1 -86.2-156.0 162.5 35.5 29.0 45.7 17 19 A F E -F 30 0C 112 -2,-0.3 13,-0.3 13,-0.2 2,-0.2 -0.613 47.1-123.3 -73.8 126.1 37.1 31.2 48.3 18 20 A K - 0 0 49 11,-2.4 2,-0.4 -2,-0.4 6,-0.1 -0.508 24.5-133.4 -71.3 136.4 35.3 34.5 48.6 19 21 A K + 0 0 196 -2,-0.2 2,-0.3 2,-0.0 -1,-0.1 -0.744 38.7 146.9 -94.4 140.4 37.6 37.5 48.1 20 22 A S - 0 0 67 -2,-0.4 4,-0.1 1,-0.1 -2,-0.0 -0.973 50.4-133.9-167.6 154.2 37.5 40.4 50.4 21 23 A D S S+ 0 0 141 -2,-0.3 -1,-0.1 2,-0.1 3,-0.1 0.870 93.9 64.3 -79.5 -39.5 39.7 43.1 52.0 22 24 A K S S- 0 0 140 1,-0.1 0, 0.0 0, 0.0 0, 0.0 -0.601 104.4 -89.5 -86.7 145.0 38.2 42.5 55.5 23 25 A P - 0 0 93 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.227 42.8-145.8 -53.6 137.2 38.8 39.2 57.3 24 26 A L - 0 0 43 -4,-0.1 2,-0.3 -6,-0.1 5,-0.1 -0.847 14.4-164.2-108.7 144.8 36.1 36.7 56.5 25 27 A Y > - 0 0 175 -2,-0.4 3,-1.5 0, 0.0 4,-0.2 -0.908 42.6 -19.2-130.4 157.7 34.8 34.1 59.0 26 28 A G G > S- 0 0 39 -2,-0.3 3,-1.7 1,-0.3 4,-0.1 -0.134 123.3 -10.1 53.7-140.8 32.8 30.9 59.0 27 29 A N G > S+ 0 0 51 1,-0.3 3,-1.3 22,-0.2 -1,-0.3 0.662 124.7 74.8 -65.2 -16.4 30.6 30.1 56.1 28 30 A D G < S+ 0 0 76 -3,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.591 78.4 76.1 -73.4 -8.4 31.1 33.6 54.7 29 31 A R G < S+ 0 0 108 -3,-1.7 -11,-2.4 -4,-0.2 2,-0.3 0.661 95.8 53.9 -75.8 -15.6 34.6 32.5 53.7 30 32 A F E < +F 17 0C 10 -3,-1.3 2,-0.3 -13,-0.3 -13,-0.2 -0.801 60.7 172.2-119.1 161.8 33.2 30.6 50.7 31 33 A E E +F 16 0C 56 -15,-2.2 -15,-2.1 -2,-0.3 2,-0.2 -0.970 21.6 93.0-157.6 167.6 30.9 31.3 47.8 32 34 A G S > S- 0 0 0 -2,-0.3 4,-2.3 -17,-0.2 -18,-0.3 -0.686 81.2 -54.3 131.9 175.0 29.5 29.9 44.6 33 35 A Y H > S+ 0 0 2 -20,-2.6 4,-2.1 1,-0.2 -19,-0.2 0.913 133.3 44.0 -52.5 -51.0 26.6 27.9 43.2 34 36 A C H > S+ 0 0 0 -20,-1.3 4,-2.5 1,-0.2 -1,-0.2 0.779 110.7 55.4 -69.7 -25.6 26.9 25.1 45.7 35 37 A I H > S+ 0 0 3 -21,-1.0 4,-2.0 -3,-0.2 -1,-0.2 0.876 109.2 47.1 -73.9 -36.8 27.4 27.5 48.6 36 38 A D H X S+ 0 0 16 -4,-2.3 4,-2.2 -22,-0.2 -2,-0.2 0.899 112.7 50.4 -67.6 -40.8 24.2 29.2 47.7 37 39 A L H X S+ 0 0 0 -4,-2.1 4,-2.6 -5,-0.2 -2,-0.2 0.953 109.2 50.3 -61.3 -49.7 22.5 25.8 47.5 38 40 A L H X S+ 0 0 3 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.903 109.1 53.1 -55.4 -42.7 23.8 24.8 50.9 39 41 A R H X S+ 0 0 98 -4,-2.0 4,-1.5 1,-0.2 -1,-0.2 0.938 109.6 46.6 -59.7 -48.6 22.5 28.0 52.4 40 42 A E H X S+ 0 0 54 -4,-2.2 4,-2.2 1,-0.2 5,-0.3 0.901 110.3 54.3 -61.3 -41.0 19.0 27.5 51.0 41 43 A L H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 5,-0.3 0.922 106.0 53.2 -58.9 -43.8 19.1 23.9 52.3 42 44 A S H X>S+ 0 0 13 -4,-2.3 5,-2.1 1,-0.2 4,-1.0 0.833 113.3 40.6 -62.6 -37.2 20.0 25.0 55.8 43 45 A T H <5S+ 0 0 101 -4,-1.5 -1,-0.2 3,-0.2 -2,-0.2 0.819 116.7 48.7 -83.3 -31.4 17.1 27.5 56.2 44 46 A I H <5S+ 0 0 56 -4,-2.2 -2,-0.2 -5,-0.2 -3,-0.2 0.927 123.8 31.4 -71.3 -44.7 14.5 25.3 54.5 45 47 A L H <5S- 0 0 53 -4,-2.7 -2,-0.2 -5,-0.3 -3,-0.2 0.635 109.7-120.1 -89.5 -16.0 15.4 22.2 56.6 46 48 A G T <5 + 0 0 63 -4,-1.0 2,-0.3 -5,-0.3 -3,-0.2 0.975 62.5 124.8 77.6 58.5 16.5 24.1 59.7 47 49 A F < - 0 0 24 -5,-2.1 2,-0.3 -6,-0.1 -1,-0.2 -0.966 47.8-137.8-143.3 157.8 20.1 23.2 60.4 48 50 A T - 0 0 81 -2,-0.3 -44,-2.9 -46,-0.3 2,-0.3 -0.733 29.8-178.1-109.0 164.5 23.4 25.0 60.9 49 51 A Y E -a 4 0A 19 -46,-0.3 2,-0.4 -2,-0.3 -44,-0.2 -0.971 26.2-137.9-158.3 171.2 26.6 23.9 59.3 50 52 A E E -a 5 0A 114 -46,-2.4 -44,-3.0 -2,-0.3 2,-0.4 -0.991 27.4-125.6-135.9 140.7 30.3 24.3 58.8 51 53 A I E -a 6 0A 15 -2,-0.4 2,-0.4 -46,-0.2 -44,-0.2 -0.749 25.0-176.4 -95.0 133.2 32.2 23.9 55.5 52 54 A R E -a 7 0A 63 -46,-3.0 -44,-1.6 -2,-0.4 2,-0.5 -0.967 22.5-133.3-125.6 140.1 35.1 21.5 55.2 53 55 A L E -a 8 0A 59 -2,-0.4 -44,-0.2 -46,-0.2 -46,-0.1 -0.841 42.7 -96.6 -94.1 128.5 37.3 21.0 52.1 54 56 A V > - 0 0 9 -46,-2.9 3,-1.4 -2,-0.5 -44,-0.1 -0.199 35.3-137.3 -46.2 122.2 37.7 17.3 51.3 55 57 A E T 3 S+ 0 0 155 1,-0.3 -1,-0.1 16,-0.1 17,-0.0 0.839 98.5 43.5 -55.0 -43.8 41.1 16.5 52.9 56 58 A D T 3 S- 0 0 75 2,-0.1 -1,-0.3 15,-0.0 3,-0.1 0.440 105.9-125.6 -86.2 3.2 42.6 14.3 50.1 57 59 A G < + 0 0 43 -3,-1.4 2,-0.3 1,-0.2 -2,-0.1 0.668 67.3 121.5 64.7 21.2 41.4 16.8 47.5 58 60 A K - 0 0 45 1,-0.1 14,-1.3 3,-0.0 -1,-0.2 -0.808 61.8-141.8-118.2 156.6 39.5 14.1 45.5 59 61 A Y - 0 0 26 78,-0.4 14,-1.5 -2,-0.3 13,-0.8 0.962 66.4 -83.1 -75.8 -55.8 35.9 13.6 44.3 60 62 A G + 0 0 0 78,-2.3 2,-0.3 11,-0.2 11,-0.2 -0.146 52.3 164.5 146.5 118.7 35.9 9.9 44.8 61 63 A A - 0 0 2 7,-0.1 9,-0.9 -2,-0.1 2,-0.4 -0.954 37.4-105.4-144.9 160.4 36.9 6.6 43.1 62 64 A Q B -G 69 0D 101 -2,-0.3 7,-0.2 7,-0.2 2,-0.2 -0.755 34.5-119.4 -94.4 134.5 37.5 3.0 44.2 63 65 A D > - 0 0 66 5,-2.8 4,-1.0 -2,-0.4 -1,-0.0 -0.503 10.7-140.4 -72.7 133.9 41.0 1.6 44.5 64 66 A D T 4 S+ 0 0 118 -2,-0.2 -1,-0.1 2,-0.1 -2,-0.0 0.902 97.3 39.2 -60.0 -42.4 41.9 -1.3 42.2 65 67 A V T 4 S+ 0 0 133 1,-0.1 -1,-0.1 3,-0.1 -3,-0.0 0.977 131.6 16.9 -71.0 -85.2 43.8 -3.0 44.9 66 68 A N T 4 S- 0 0 88 1,-0.1 -2,-0.1 2,-0.1 -1,-0.1 0.538 92.2-133.9 -69.3 -8.0 42.1 -2.6 48.3 67 69 A G < + 0 0 26 -4,-1.0 2,-0.2 1,-0.2 -3,-0.1 0.568 56.2 143.3 66.1 7.1 38.8 -1.6 46.6 68 70 A Q - 0 0 99 -6,-0.1 -5,-2.8 1,-0.1 -1,-0.2 -0.479 46.8-124.2 -81.0 152.4 38.5 1.2 49.1 69 71 A W B -G 62 0D 17 -7,-0.2 2,-0.2 -2,-0.2 -7,-0.2 -0.489 24.2-170.0 -90.2 162.1 37.0 4.6 48.1 70 72 A N > + 0 0 35 -9,-0.9 4,-1.8 -2,-0.2 3,-0.4 -0.601 44.6 38.5-132.1-166.2 38.7 8.0 48.6 71 73 A G H > S- 0 0 1 1,-0.2 4,-1.8 2,-0.2 -12,-0.3 -0.077 117.1 -26.1 59.9-155.1 37.7 11.6 48.3 72 74 A M H > S+ 0 0 0 -14,-1.3 4,-2.0 -13,-0.8 -1,-0.2 0.872 136.3 60.8 -61.8 -37.7 34.3 13.0 49.4 73 75 A V H > S+ 0 0 0 -14,-1.5 4,-2.1 -3,-0.4 -1,-0.2 0.938 107.5 44.6 -55.1 -47.8 32.7 9.6 48.9 74 76 A R H X S+ 0 0 71 -4,-1.8 4,-2.5 1,-0.2 -1,-0.2 0.855 107.2 58.2 -67.5 -35.3 35.1 8.1 51.5 75 77 A E H <>S+ 0 0 11 -4,-1.8 5,-3.5 1,-0.2 6,-0.8 0.888 109.7 45.9 -62.5 -35.4 34.6 11.0 53.9 76 78 A L H ><5S+ 0 0 0 -4,-2.0 3,-1.7 3,-0.2 -2,-0.2 0.919 109.6 53.2 -71.4 -44.5 30.8 10.2 53.8 77 79 A I H 3<5S+ 0 0 59 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.918 112.9 44.1 -56.1 -45.7 31.4 6.5 54.3 78 80 A D T 3<5S- 0 0 74 -4,-2.5 -1,-0.3 -5,-0.1 -2,-0.2 0.281 114.3-117.8 -84.7 11.5 33.5 7.1 57.4 79 81 A H T < 5S+ 0 0 138 -3,-1.7 -3,-0.2 2,-0.1 -2,-0.1 0.859 72.7 135.9 55.0 39.6 31.1 9.6 58.7 80 82 A K S - 0 0 28 -2,-0.6 4,-2.7 1,-0.1 5,-0.2 -0.962 45.8-119.5-134.9 154.3 26.7 7.2 39.7 92 94 A Y H > S+ 0 0 168 -2,-0.3 4,-0.7 1,-0.2 -1,-0.1 0.914 113.7 49.3 -54.4 -49.6 25.8 3.6 40.0 93 95 A V H >4 S+ 0 0 23 1,-0.2 3,-0.5 2,-0.2 4,-0.3 0.867 113.3 47.1 -61.9 -35.9 29.1 2.6 41.7 94 96 A R H >> S+ 0 0 4 1,-0.2 4,-2.5 2,-0.2 3,-2.0 0.892 102.3 63.1 -72.5 -38.1 28.8 5.4 44.2 95 97 A E H 3< S+ 0 0 95 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.693 93.7 65.6 -59.9 -16.3 25.2 4.6 45.0 96 98 A K T << S+ 0 0 126 -4,-0.7 -1,-0.3 -3,-0.5 -2,-0.2 0.765 116.8 23.3 -76.9 -23.3 26.4 1.2 46.3 97 99 A V T <4 S+ 0 0 41 -3,-2.0 124,-0.6 -4,-0.3 2,-0.3 0.639 128.4 24.0-116.8 -21.5 28.3 2.9 49.1 98 100 A I E < S-D 220 0A 0 -4,-2.5 2,-0.3 122,-0.2 -1,-0.2 -0.899 74.3-114.6-138.2 168.2 26.7 6.3 49.8 99 101 A D E -D 219 0A 25 120,-2.3 120,-2.3 -2,-0.3 2,-0.3 -0.757 22.7-155.0-106.1 154.3 23.2 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 -0.957 12.4-131.4-127.7 148.5 22.3 10.7 46.9 101 103 A S - 0 0 5 116,-1.9 126,-0.1 -2,-0.3 3,-0.1 -0.289 53.8 -74.5 -80.7 176.0 19.5 13.3 46.9 102 104 A K S S- 0 0 108 124,-0.2 115,-0.4 1,-0.1 -1,-0.2 -0.369 71.5 -82.1 -66.0 157.4 17.6 13.7 43.6 103 105 A P - 0 0 38 0, 0.0 113,-0.3 0, 0.0 -1,-0.1 -0.290 31.6-165.6 -66.2 147.4 19.7 15.7 41.2 104 106 A F S S+ 0 0 3 111,-2.6 2,-0.3 1,-0.3 112,-0.1 0.393 80.1 19.1-107.2 -0.9 19.9 19.5 41.3 105 107 A M E -I 215 0E 20 110,-0.8 110,-2.5 2,-0.0 2,-0.3 -0.953 69.1-141.5-165.9 144.0 21.6 19.8 37.9 106 108 A T E +I 214 0E 56 -2,-0.3 2,-0.3 108,-0.2 108,-0.2 -0.845 32.6 138.9-113.1 151.6 21.9 17.6 34.8 107 109 A L E -I 213 0E 8 106,-2.7 106,-2.6 -2,-0.3 2,-0.3 -0.917 30.1-137.3-166.0-172.1 24.9 17.2 32.5 108 110 A G - 0 0 0 -2,-0.3 82,-3.1 104,-0.2 104,-0.2 -0.982 31.9 -91.6-161.2 156.5 27.1 14.8 30.5 109 111 A I E +J 189 0F 0 -2,-0.3 101,-3.5 80,-0.2 102,-0.6 -0.486 53.6 156.9 -71.4 142.5 30.7 14.1 29.8 110 112 A S E -J 188 0F 0 78,-2.5 78,-1.9 99,-0.2 2,-0.4 -0.866 39.3 -87.9-150.8-174.1 32.1 15.9 26.7 111 113 A I E -JK 187 206F 3 95,-0.9 95,-2.7 97,-0.3 2,-0.5 -0.896 23.5-160.0-112.7 133.0 35.4 17.1 25.2 112 114 A L E +JK 186 205F 0 74,-3.0 74,-2.7 -2,-0.4 2,-0.3 -0.922 32.0 140.3-107.5 132.8 37.1 20.4 25.7 113 115 A Y E - K 0 204F 7 91,-2.1 91,-2.5 -2,-0.5 2,-0.1 -0.940 52.3 -74.5-159.0 175.4 39.7 21.4 23.1 114 116 A R E - K 0 203F 82 -2,-0.3 3,-0.4 89,-0.2 89,-0.2 -0.456 49.6-114.3 -77.9 155.5 41.0 24.4 21.0 115 117 A K S S+ 0 0 94 87,-2.6 -1,-0.1 1,-0.2 375,-0.1 -0.267 90.7 46.4 -79.5 173.6 38.9 25.8 18.2 116 118 A G S S+ 0 0 47 374,-0.4 -1,-0.2 373,-0.3 374,-0.1 0.727 83.9 117.9 66.7 26.0 40.0 25.6 14.6 117 119 A T S S- 0 0 17 -3,-0.4 -1,-0.2 2,-0.2 -4,-0.0 -0.768 72.2-119.7-119.2 166.5 41.1 21.9 14.5 118 120 A P S S+ 0 0 93 0, 0.0 2,-0.7 0, 0.0 372,-0.1 0.438 79.2 110.8 -83.8 0.9 39.9 18.8 12.6 119 121 A I + 0 0 20 1,-0.2 -2,-0.2 371,-0.1 88,-0.1 -0.671 31.7 156.8 -78.7 117.3 38.9 17.0 15.8 120 122 A D + 0 0 27 -2,-0.7 2,-0.3 1,-0.2 -1,-0.2 0.434 57.1 11.8-122.5 -1.0 35.1 16.8 15.8 121 123 A S S > S- 0 0 35 86,-0.1 4,-1.0 1,-0.1 -1,-0.2 -0.967 79.1 -94.3-163.0 174.5 34.3 13.8 18.0 122 124 A A H >> S+ 0 0 11 -2,-0.3 4,-3.0 1,-0.2 3,-0.7 0.893 122.2 59.4 -65.5 -39.5 35.7 11.3 20.6 123 125 A D H 3> S+ 0 0 89 1,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.890 99.4 56.6 -55.9 -40.1 36.2 8.9 17.7 124 126 A D H 34 S+ 0 0 25 1,-0.2 -1,-0.3 2,-0.2 -2,-0.2 0.848 112.4 42.8 -60.7 -33.1 38.5 11.5 16.1 125 127 A L H X< S+ 0 0 0 -4,-1.0 3,-1.3 -3,-0.7 -2,-0.2 0.918 113.3 50.0 -78.1 -45.0 40.6 11.4 19.3 126 128 A A H 3< S+ 0 0 7 -4,-3.0 -2,-0.2 1,-0.3 -3,-0.2 0.727 102.7 60.5 -67.2 -24.2 40.5 7.6 19.8 127 129 A K T 3< S+ 0 0 160 -4,-2.0 2,-0.3 -5,-0.2 -1,-0.3 0.434 106.6 52.8 -85.2 2.1 41.6 6.8 16.3 128 130 A Q < - 0 0 37 -3,-1.3 0, 0.0 -5,-0.1 0, 0.0 -0.935 55.4-163.7-135.7 158.2 44.9 8.7 16.8 129 131 A T S S+ 0 0 97 -2,-0.3 -1,-0.1 3,-0.0 -3,-0.1 0.320 73.4 83.3-122.2 5.0 47.8 8.7 19.3 130 132 A K S S+ 0 0 170 1,-0.1 2,-0.4 -5,-0.1 53,-0.1 0.983 86.1 50.3 -73.7 -62.9 49.4 12.0 18.5 131 133 A I S S- 0 0 7 -6,-0.1 53,-0.2 53,-0.0 2,-0.1 -0.656 86.5-136.8 -80.3 129.5 47.3 14.5 20.5 132 134 A E E -l 184 0F 46 51,-1.6 53,-2.7 -2,-0.4 2,-0.3 -0.439 21.0-174.1 -85.9 161.0 46.9 13.3 24.1 133 135 A Y E +l 185 0F 3 51,-0.2 2,-0.2 -2,-0.1 53,-0.2 -0.981 11.9 145.6-149.9 155.7 43.7 13.4 26.1 134 136 A G E -l 186 0F 0 51,-1.4 53,-3.0 -2,-0.3 2,-0.3 -0.859 26.4-128.5-164.6-159.5 42.7 12.7 29.7 135 137 A A - 0 0 0 -2,-0.2 34,-2.1 32,-0.2 2,-0.4 -0.904 45.7 -61.1-157.8 180.0 40.5 13.6 32.7 136 138 A V B > -m 169 0G 19 51,-0.4 3,-1.2 -2,-0.3 6,-0.5 -0.594 60.4-111.6 -76.3 130.1 40.6 14.4 36.4 137 139 A E T 3 S+ 0 0 44 32,-3.4 -78,-0.4 -2,-0.4 3,-0.1 -0.348 94.7 6.9 -63.8 139.8 42.1 11.6 38.4 138 140 A D T 3 S+ 0 0 26 1,-0.2 -78,-2.3 -80,-0.1 -1,-0.2 0.770 102.8 120.9 59.7 32.1 39.7 9.7 40.7 139 141 A G S <> S- 0 0 6 -3,-1.2 4,-2.0 -80,-0.2 -1,-0.2 -0.621 79.8 -96.9-114.6 177.1 36.6 11.5 39.4 140 142 A A H > S+ 0 0 10 -2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.817 120.3 55.1 -65.4 -32.9 33.4 10.3 37.8 141 143 A T H > S+ 0 0 12 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.935 108.6 47.2 -67.8 -45.0 34.7 11.0 34.2 142 144 A M H > S+ 0 0 3 -6,-0.5 4,-2.3 1,-0.2 -2,-0.2 0.936 112.9 50.1 -60.5 -45.3 37.8 8.8 34.7 143 145 A T H X S+ 0 0 22 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.865 104.1 59.2 -62.1 -36.9 35.7 6.1 36.2 144 146 A F H X S+ 0 0 48 -4,-2.0 4,-1.2 1,-0.2 -1,-0.2 0.941 110.9 40.7 -57.3 -49.1 33.3 6.2 33.3 145 147 A F H < S+ 0 0 1 -4,-1.8 12,-0.2 1,-0.2 -2,-0.2 0.886 111.9 56.3 -68.3 -36.8 36.1 5.4 30.9 146 148 A K H < S+ 0 0 57 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.802 117.2 35.0 -64.9 -29.2 37.6 2.8 33.2 147 149 A K H < S+ 0 0 125 -4,-1.9 -1,-0.2 -3,-0.2 -2,-0.2 0.553 90.8 119.0-102.6 -9.2 34.4 0.9 33.3 148 150 A S < - 0 0 19 -4,-1.2 9,-0.1 -5,-0.2 -3,-0.0 -0.204 41.0-170.5 -62.6 148.1 33.1 1.4 29.8 149 151 A K + 0 0 199 5,-0.0 2,-0.6 4,-0.0 -1,-0.1 0.281 53.7 114.6-116.1 2.1 32.5 -1.5 27.4 150 152 A I S >> S- 0 0 91 1,-0.1 4,-2.7 -5,-0.0 3,-0.6 -0.687 72.4-129.4 -78.7 117.6 31.9 0.8 24.4 151 153 A S H 3> S+ 0 0 90 -2,-0.6 4,-2.5 1,-0.2 5,-0.3 0.812 103.9 46.2 -31.5 -63.6 34.8 0.1 22.0 152 154 A T H 3> S+ 0 0 22 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.906 118.1 42.5 -52.2 -47.8 35.8 3.7 21.4 153 155 A Y H <> S+ 0 0 39 -3,-0.6 4,-1.7 1,-0.2 -1,-0.2 0.803 111.1 57.8 -70.9 -28.8 35.7 4.5 25.2 154 156 A D H X S+ 0 0 91 -4,-2.7 4,-1.7 2,-0.2 -2,-0.2 0.918 110.4 40.9 -67.8 -45.0 37.4 1.2 26.0 155 157 A K H X S+ 0 0 106 -4,-2.5 4,-1.9 -5,-0.2 -1,-0.2 0.799 110.7 58.9 -74.3 -27.3 40.4 2.0 23.8 156 158 A M H X S+ 0 0 0 -4,-1.6 4,-2.5 -5,-0.3 -1,-0.2 0.885 107.7 46.6 -67.4 -36.1 40.4 5.6 25.0 157 159 A W H X S+ 0 0 31 -4,-1.7 4,-3.3 -12,-0.2 5,-0.3 0.890 106.9 56.2 -71.7 -39.1 40.8 4.3 28.6 158 160 A A H X S+ 0 0 57 -4,-1.7 4,-1.9 1,-0.2 -1,-0.2 0.913 110.9 47.4 -56.8 -40.2 43.6 1.9 27.5 159 161 A F H X S+ 0 0 19 -4,-1.9 4,-1.0 2,-0.2 -2,-0.2 0.970 114.3 43.4 -64.7 -56.4 45.3 5.1 26.2 160 162 A M H >< S+ 0 0 0 -4,-2.5 3,-1.1 1,-0.2 7,-0.3 0.938 113.9 51.4 -55.7 -50.3 44.8 7.2 29.3 161 163 A S H >< S+ 0 0 51 -4,-3.3 3,-1.3 1,-0.3 -1,-0.2 0.869 106.1 53.8 -56.1 -42.5 45.7 4.3 31.7 162 164 A S H 3< S+ 0 0 91 -4,-1.9 -1,-0.3 -5,-0.3 -2,-0.2 0.707 122.2 31.0 -68.0 -18.8 49.0 3.6 29.8 163 165 A R T XX S+ 0 0 84 -3,-1.1 4,-2.2 -4,-1.0 3,-1.4 -0.056 81.4 141.2-127.2 29.2 50.0 7.3 30.2 164 166 A R H <> + 0 0 69 -3,-1.3 4,-2.3 1,-0.3 -2,-0.1 0.828 69.8 47.7 -39.5 -55.4 48.1 7.9 33.5 165 167 A Q H 34 S+ 0 0 196 1,-0.2 -1,-0.3 -4,-0.2 -4,-0.1 0.780 117.8 42.9 -65.3 -24.6 50.8 10.1 35.1 166 168 A S H <4 S+ 0 0 75 -3,-1.4 -2,-0.2 -6,-0.2 -1,-0.2 0.756 125.5 27.5 -92.5 -26.8 51.1 12.3 32.0 167 169 A V H < S+ 0 0 0 -4,-2.2 2,-0.5 -7,-0.3 -32,-0.2 0.694 98.9 81.7-110.8 -22.1 47.4 12.7 31.0 168 170 A L < - 0 0 15 -4,-2.3 -32,-0.2 -5,-0.4 2,-0.2 -0.754 65.9-162.2 -86.4 129.1 45.3 12.4 34.2 169 171 A V B -m 136 0G 4 -34,-2.1 -32,-3.4 -2,-0.5 3,-0.1 -0.601 26.9-122.5-108.9 170.4 45.3 15.7 36.0 170 172 A K S S+ 0 0 149 -34,-0.2 2,-0.3 -2,-0.2 -34,-0.1 0.595 88.0 5.8 -87.7 -11.8 44.4 16.8 39.6 171 173 A S S > S- 0 0 37 1,-0.1 4,-2.0 -36,-0.1 -1,-0.1 -0.990 71.6-105.9-162.7 164.1 41.6 19.3 38.6 172 174 A N H > S+ 0 0 13 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.909 120.0 58.3 -61.1 -40.7 39.6 20.8 35.8 173 175 A E H > S+ 0 0 145 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.909 105.3 48.2 -55.5 -44.9 41.7 23.9 36.1 174 176 A E H > S+ 0 0 87 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.913 111.7 51.2 -63.6 -40.7 44.9 21.8 35.5 175 177 A G H X S+ 0 0 0 -4,-2.0 4,-1.7 1,-0.2 -2,-0.2 0.912 106.7 52.5 -62.2 -43.7 43.1 20.2 32.5 176 178 A I H X S+ 0 0 22 -4,-2.8 4,-1.8 1,-0.2 -1,-0.2 0.891 111.6 46.6 -59.9 -41.4 42.1 23.6 31.0 177 179 A Q H X S+ 0 0 107 -4,-1.9 4,-1.2 1,-0.2 -1,-0.2 0.879 107.6 56.8 -67.9 -38.2 45.7 24.8 31.2 178 180 A R H X S+ 0 0 52 -4,-2.2 4,-0.6 1,-0.2 -1,-0.2 0.844 109.5 47.4 -60.8 -33.0 46.9 21.5 29.7 179 181 A V H < S+ 0 0 0 -4,-1.7 5,-0.3 1,-0.2 3,-0.3 0.848 111.3 49.0 -76.9 -36.7 44.6 22.3 26.7 180 182 A L H < S+ 0 0 67 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.601 119.6 37.3 -79.4 -11.9 45.7 25.9 26.4 181 183 A T H < S+ 0 0 105 -4,-1.2 2,-0.3 1,-0.2 -1,-0.2 0.366 118.9 21.4-123.2 4.9 49.4 25.0 26.4 182 184 A S S < S- 0 0 41 -4,-0.6 2,-2.3 -3,-0.3 -1,-0.2 -0.989 90.8 -78.8-163.9 165.6 49.8 21.7 24.5 183 185 A D S S+ 0 0 69 -2,-0.3 -51,-1.6 -3,-0.1 2,-0.3 -0.503 81.5 132.9 -72.1 83.3 48.2 19.4 22.0 184 186 A Y E - l 0 132F 0 -2,-2.3 2,-0.4 -5,-0.3 -51,-0.2 -0.998 45.1-156.6-143.4 135.4 45.8 18.0 24.5 185 187 A A E - l 0 133F 0 -53,-2.7 -51,-1.4 -2,-0.3 2,-0.5 -0.907 18.4-145.6-109.6 137.6 42.0 17.3 24.6 186 188 A F E -Jl 112 134F 0 -74,-2.7 -74,-3.0 -2,-0.4 2,-0.8 -0.901 6.1-146.0-114.8 127.9 40.2 17.2 28.0 187 189 A L E +J 111 0F 1 -53,-3.0 -51,-0.4 -2,-0.5 2,-0.3 -0.779 43.5 144.7 -86.9 110.6 37.3 15.0 29.0 188 190 A M E -J 110 0F 1 -78,-1.9 -78,-2.5 -2,-0.8 2,-0.2 -0.916 52.4 -75.9-142.5 169.9 35.2 17.0 31.4 189 191 A E E >> -J 109 0F 18 -2,-0.3 4,-2.2 -80,-0.2 3,-1.1 -0.458 36.9-127.2 -73.6 137.0 31.6 17.7 32.3 190 192 A S H 3> S+ 0 0 18 -82,-3.1 4,-2.5 1,-0.3 5,-0.1 0.784 105.6 58.7 -50.1 -40.1 29.4 19.8 30.0 191 193 A T H 3> S+ 0 0 5 1,-0.2 4,-1.0 2,-0.2 -1,-0.3 0.853 111.7 41.4 -62.7 -35.3 28.2 22.2 32.7 192 194 A T H <> S+ 0 0 4 -3,-1.1 4,-2.6 2,-0.2 -2,-0.2 0.865 111.0 55.8 -80.0 -37.1 31.9 23.2 33.4 193 195 A I H X S+ 0 0 1 -4,-2.2 4,-3.1 1,-0.2 5,-0.3 0.924 104.8 55.5 -57.8 -43.6 32.8 23.2 29.8 194 196 A E H X S+ 0 0 68 -4,-2.5 4,-1.1 1,-0.2 -1,-0.2 0.887 109.6 45.3 -54.4 -44.4 30.0 25.7 29.3 195 197 A F H < S+ 0 0 12 -4,-1.0 4,-0.3 2,-0.2 -1,-0.2 0.894 115.2 47.8 -67.5 -42.7 31.5 28.0 32.0 196 198 A V H >X S+ 0 0 6 -4,-2.6 3,-1.6 1,-0.2 4,-0.8 0.926 108.3 51.0 -66.7 -49.3 35.0 27.6 30.5 197 199 A T H 3< S+ 0 0 36 -4,-3.1 3,-0.3 1,-0.3 -1,-0.2 0.809 104.4 59.1 -61.4 -30.7 34.2 28.3 26.9 198 200 A Q T 3< S+ 0 0 78 -4,-1.1 -1,-0.3 -5,-0.3 -2,-0.2 0.648 116.6 34.2 -72.9 -12.9 32.4 31.5 27.8 199 201 A R T <4 S+ 0 0 87 -3,-1.6 2,-0.3 -4,-0.3 -2,-0.2 0.370 118.3 51.8-121.0 0.4 35.6 32.8 29.4 200 202 A N >< - 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