==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-DEC-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER MEMBRANE PROTEIN 17-OCT-11 3U94 . COMPND 2 MOLECULE: GLUTAMATE RECEPTOR, IONOTROPIC KAINATE 3; . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; . AUTHOR J.KUMAR,M.L.MAYER . 1018 8 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 46857.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 671 65.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 63 6.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 116 11.4 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 . 8 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 . 62 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 78 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 295 29.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 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 2 4 7 3 6 0 4 6 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 6 4 0 3 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 . 16 4 8 8 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 . 6 4 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 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 0 209 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -46.9 8.8 -6.6 102.7 2 4 A R + 0 0 232 2,-0.1 46,-0.1 47,-0.0 3,-0.0 0.400 360.0 119.2 -87.6 0.3 6.7 -3.9 101.0 3 5 A S S S- 0 0 46 44,-0.1 46,-0.3 1,-0.1 2,-0.2 -0.393 72.9-111.5 -55.2 143.7 6.5 -1.8 104.1 4 6 A L E -a 49 0A 9 44,-2.6 46,-2.7 77,-0.0 2,-0.5 -0.598 21.6-132.0 -80.7 143.3 8.1 1.6 103.5 5 7 A I E -a 50 0A 28 -2,-0.2 76,-2.2 44,-0.2 77,-1.8 -0.856 21.8-160.1 -93.5 123.9 11.4 2.4 105.3 6 8 A V E -ab 51 82A 0 44,-2.8 46,-3.1 -2,-0.5 2,-0.3 -0.942 2.0-158.0-109.6 122.8 11.2 5.8 106.9 7 9 A T E +ab 52 83A 5 75,-2.8 77,-2.0 -2,-0.6 2,-0.3 -0.736 29.7 140.2 -95.6 144.6 14.5 7.5 107.8 8 10 A T E -a 53 0A 2 44,-1.4 46,-2.8 -2,-0.3 2,-0.3 -0.925 33.7-134.2-159.5-177.2 14.3 10.3 110.5 9 11 A L - 0 0 10 -2,-0.3 2,-0.4 75,-0.2 6,-0.1 -0.965 33.7 -87.3-146.1 167.5 16.2 11.6 113.5 10 12 A L + 0 0 79 -2,-0.3 2,-0.2 4,-0.1 6,-0.2 -0.614 57.1 147.4 -77.5 126.1 15.5 12.8 117.1 11 13 A E B >> -E 15 0B 19 4,-2.4 3,-2.0 -2,-0.4 4,-1.9 -0.745 48.2 -92.8-165.8 106.0 14.6 16.4 117.2 12 14 A E T 34 S+ 0 0 93 1,-0.3 181,-0.1 -2,-0.2 4,-0.1 -0.455 101.6 3.5 -69.2 134.9 12.1 17.9 119.7 13 15 A P T 34 S+ 0 0 0 0, 0.0 20,-2.6 0, 0.0 -1,-0.3 -0.839 127.2 59.9-102.0 27.0 9.2 18.2 119.2 14 16 A F T <4 S+ 0 0 0 -3,-2.0 20,-1.6 1,-0.3 21,-1.0 0.952 120.5 3.8 -80.9 -47.6 9.2 16.5 115.8 15 17 A V B < S+E 11 0B 1 -4,-1.9 -4,-2.4 19,-0.2 -1,-0.3 -0.986 76.7 153.9-143.9 124.5 10.5 13.1 116.8 16 18 A M E -F 31 0C 30 15,-2.1 15,-2.8 -2,-0.4 2,-0.5 -0.965 48.5 -97.2-148.9 155.5 11.2 11.9 120.3 17 19 A F E -F 30 0C 101 -2,-0.3 13,-0.3 13,-0.2 12,-0.1 -0.721 47.0-120.8 -75.5 122.7 11.4 8.8 122.3 18 20 A R - 0 0 71 11,-2.7 2,-0.5 -2,-0.5 6,-0.1 -0.306 24.3-115.4 -60.2 146.4 8.1 8.4 124.2 19 21 A K + 0 0 178 2,-0.0 2,-0.3 0, 0.0 -1,-0.1 -0.772 51.5 148.6 -86.0 126.2 8.3 8.2 128.0 20 22 A S - 0 0 55 -2,-0.5 4,-0.1 1,-0.1 3,-0.0 -0.985 50.1-139.6-150.4 159.5 7.2 4.8 129.4 21 23 A D S S+ 0 0 178 -2,-0.3 2,-0.3 2,-0.1 -1,-0.1 0.875 93.0 64.1 -82.1 -44.7 8.0 2.5 132.3 22 24 A R S S- 0 0 168 1,-0.1 2,-0.1 0, 0.0 0, 0.0 -0.589 102.0 -99.7 -81.8 140.2 7.8 -0.6 130.1 23 25 A T - 0 0 107 -2,-0.3 2,-0.3 1,-0.1 -1,-0.1 -0.373 39.5-148.0 -63.0 131.2 10.3 -1.0 127.3 24 26 A L - 0 0 22 -6,-0.1 2,-0.3 -2,-0.1 5,-0.1 -0.685 12.2-164.0-103.0 155.7 9.0 0.0 123.9 25 27 A Y > - 0 0 177 -2,-0.3 3,-1.1 0, 0.0 4,-0.3 -0.919 45.1 -7.3-134.2 160.8 9.9 -1.4 120.5 26 28 A G G > S- 0 0 39 -2,-0.3 3,-1.7 1,-0.2 4,-0.2 -0.165 123.2 -16.0 56.1-144.3 9.6 -0.5 116.8 27 29 A N G > S+ 0 0 54 1,-0.3 3,-1.9 2,-0.2 -1,-0.2 0.768 126.8 74.1 -68.0 -24.8 7.5 2.4 115.8 28 30 A D G < S+ 0 0 75 -3,-1.1 -1,-0.3 1,-0.3 -2,-0.2 0.683 80.8 74.3 -62.9 -18.2 5.9 2.5 119.2 29 31 A R G < S+ 0 0 81 -3,-1.7 -11,-2.7 -4,-0.3 -1,-0.3 0.761 91.3 70.0 -58.9 -28.3 9.2 4.0 120.6 30 32 A F E < +F 17 0C 5 -3,-1.9 2,-0.3 -13,-0.3 -13,-0.2 -0.613 49.8 166.5-107.2 152.9 8.5 7.4 119.0 31 33 A E E +F 16 0C 45 -15,-2.8 -15,-2.1 -2,-0.2 2,-0.2 -0.970 26.9 85.0-148.5 166.9 6.2 10.3 119.4 32 34 A G S > S- 0 0 0 -2,-0.3 4,-2.3 -17,-0.2 3,-0.3 -0.727 83.3 -49.7 132.9 179.4 5.9 13.9 118.2 33 35 A Y H > S+ 0 0 2 -20,-2.6 4,-2.7 1,-0.2 -19,-0.2 0.910 131.2 45.8 -55.0 -46.4 4.7 16.1 115.3 34 36 A C H > S+ 0 0 0 -20,-1.6 4,-2.7 2,-0.2 -1,-0.2 0.799 110.7 54.3 -72.2 -24.0 6.4 14.1 112.5 35 37 A I H > S+ 0 0 7 -21,-1.0 4,-2.2 -3,-0.3 -1,-0.2 0.920 110.2 45.8 -73.9 -42.5 5.1 10.9 114.0 36 38 A D H X S+ 0 0 24 -4,-2.3 4,-2.3 -22,-0.2 -2,-0.2 0.918 113.1 51.2 -62.2 -43.7 1.5 12.2 114.0 37 39 A L H X S+ 0 0 0 -4,-2.7 4,-2.8 -5,-0.2 5,-0.2 0.974 109.7 49.8 -59.2 -53.1 2.1 13.4 110.5 38 40 A L H X S+ 0 0 1 -4,-2.7 4,-2.9 1,-0.2 5,-0.2 0.892 108.6 51.9 -47.2 -48.2 3.4 10.0 109.4 39 41 A K H X S+ 0 0 121 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.935 112.5 46.7 -58.7 -43.4 0.4 8.2 111.0 40 42 A E H X S+ 0 0 52 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.901 112.6 48.7 -66.3 -40.7 -2.0 10.5 109.0 41 43 A L H X S+ 0 0 0 -4,-2.8 4,-2.8 1,-0.2 5,-0.3 0.920 111.2 50.1 -64.8 -45.7 -0.1 10.0 105.8 42 44 A A H X>S+ 0 0 11 -4,-2.9 4,-1.7 -5,-0.2 5,-0.7 0.847 110.3 50.4 -59.4 -39.9 -0.1 6.3 106.2 43 45 A H H <5S+ 0 0 148 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.986 115.0 43.2 -62.6 -53.7 -3.9 6.3 106.9 44 46 A I H <5S+ 0 0 43 -4,-2.6 -2,-0.2 1,-0.2 -3,-0.2 0.911 123.4 35.4 -59.7 -43.9 -4.6 8.4 103.7 45 47 A L H <5S- 0 0 53 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.639 103.9-127.0 -94.5 -14.9 -2.2 6.5 101.4 46 48 A G T <5 + 0 0 64 -4,-1.7 2,-0.3 -5,-0.3 -3,-0.2 0.704 58.0 133.6 86.5 25.2 -2.7 3.1 102.9 47 49 A F < - 0 0 26 -5,-0.7 2,-0.3 -6,-0.2 -1,-0.2 -0.717 46.2-141.0-110.1 154.2 0.8 2.0 103.6 48 50 A S - 0 0 71 -2,-0.3 -44,-2.6 -46,-0.1 2,-0.3 -0.769 29.2-176.7-101.6 163.4 2.6 0.4 106.5 49 51 A Y E -a 4 0A 40 -46,-0.3 2,-0.4 -2,-0.3 -44,-0.2 -0.953 27.0-134.1-157.5 160.9 6.1 1.5 107.4 50 52 A E E -a 5 0A 86 -46,-2.7 -44,-2.8 -2,-0.3 2,-0.3 -0.985 22.9-140.7-128.2 122.8 9.1 1.0 109.6 51 53 A I E -a 6 0A 5 -2,-0.4 2,-0.4 -46,-0.2 -44,-0.2 -0.641 21.7-179.2 -84.5 134.9 10.9 4.0 111.3 52 54 A R E -a 7 0A 119 -46,-3.1 -44,-1.4 -2,-0.3 2,-0.3 -0.994 25.8-127.8-135.1 127.7 14.7 3.9 111.4 53 55 A L E -a 8 0A 57 -2,-0.4 -44,-0.2 -46,-0.2 2,-0.2 -0.579 35.1-108.3 -73.6 135.0 16.9 6.6 112.9 54 56 A V > - 0 0 11 -46,-2.8 3,-1.5 -2,-0.3 17,-0.1 -0.427 26.8-132.7 -64.2 129.1 19.6 7.7 110.5 55 57 A E T 3 S+ 0 0 200 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.0 0.865 100.7 45.1 -55.0 -45.9 22.9 6.4 111.8 56 58 A D T 3 S- 0 0 72 2,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.443 100.5-130.2 -86.1 2.3 25.0 9.5 111.5 57 59 A G < + 0 0 40 -3,-1.5 2,-0.3 1,-0.2 -2,-0.1 0.676 63.1 131.5 61.3 19.8 22.3 11.8 113.1 58 60 A K - 0 0 59 1,-0.2 13,-1.8 111,-0.0 -1,-0.2 -0.736 57.8-148.0-109.7 152.6 22.6 14.3 110.2 59 61 A Y - 0 0 8 77,-0.3 13,-2.1 -2,-0.3 12,-0.3 0.955 63.0 -90.8 -77.4 -58.3 20.1 16.0 108.0 60 62 A G + 0 0 0 77,-2.4 2,-0.3 10,-0.2 10,-0.2 -0.223 48.9 166.5 147.0 128.2 22.4 16.1 105.0 61 63 A A - 0 0 4 -2,-0.1 8,-0.8 6,-0.1 2,-0.4 -0.973 34.9-106.8-149.3 166.3 25.0 18.1 103.2 62 64 A Q B -G 68 0D 88 -2,-0.3 6,-0.2 6,-0.2 75,-0.1 -0.770 25.7-141.7 -99.3 131.8 27.6 17.5 100.4 63 65 A D - 0 0 76 4,-2.7 3,-0.4 -2,-0.4 -1,-0.1 -0.168 40.5 -87.8 -76.0-177.1 31.3 17.3 101.0 64 66 A D S S+ 0 0 166 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.689 127.9 55.9 -71.7 -21.8 33.9 18.7 98.6 65 67 A K S S- 0 0 160 2,-0.1 -1,-0.3 0, 0.0 -3,-0.0 0.846 122.5-104.4 -71.6 -38.2 34.0 15.5 96.6 66 68 A G S S+ 0 0 32 -3,-0.4 2,-0.4 1,-0.3 -2,-0.1 0.452 74.6 138.4 119.8 13.1 30.2 15.7 96.0 67 69 A Q - 0 0 91 1,-0.0 -4,-2.7 0, 0.0 -1,-0.3 -0.734 40.2-144.0 -97.3 136.8 29.1 13.1 98.4 68 70 A W B -G 62 0D 24 -2,-0.4 2,-0.2 -6,-0.2 -6,-0.2 -0.514 14.0-171.8 -92.6 162.7 26.1 13.5 100.7 69 71 A N > + 0 0 34 -8,-0.8 4,-1.6 -2,-0.2 3,-0.4 -0.662 45.6 35.6-131.4-169.4 25.5 12.3 104.3 70 72 A G H > S- 0 0 0 1,-0.2 4,-1.4 -2,-0.2 -11,-0.3 -0.053 116.7 -26.7 63.1-159.8 22.6 12.2 106.7 71 73 A M H > S+ 0 0 0 -13,-1.8 4,-1.8 -12,-0.3 -1,-0.2 0.857 135.8 60.8 -59.7 -34.3 19.0 11.5 105.8 72 74 A V H > S+ 0 0 0 -13,-2.1 4,-2.5 -3,-0.4 -1,-0.2 0.942 105.2 48.0 -59.9 -43.6 19.6 12.9 102.3 73 75 A K H X S+ 0 0 41 -4,-1.6 4,-2.5 -3,-0.3 -1,-0.2 0.843 104.5 59.0 -66.5 -33.4 22.2 10.2 101.6 74 76 A E H <>S+ 0 0 58 -4,-1.4 5,-3.2 1,-0.2 6,-1.0 0.915 110.9 43.3 -62.6 -38.9 19.9 7.5 102.9 75 77 A L H ><5S+ 0 0 0 -4,-1.8 3,-2.1 3,-0.2 -2,-0.2 0.938 110.9 54.0 -70.3 -46.3 17.4 8.5 100.2 76 78 A I H 3<5S+ 0 0 52 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.888 109.7 47.5 -55.9 -43.3 20.1 8.9 97.5 77 79 A D T 3<5S- 0 0 63 -4,-2.5 -1,-0.3 -5,-0.1 -2,-0.2 0.275 115.2-115.7 -83.0 11.7 21.4 5.3 98.1 78 80 A H T < 5S+ 0 0 150 -3,-2.1 -3,-0.2 2,-0.1 -2,-0.1 0.858 78.6 129.6 56.2 38.3 17.8 3.9 98.1 79 81 A K S - 0 0 27 -2,-0.6 4,-2.0 1,-0.1 121,-0.0 -0.966 45.5-124.6-132.8 153.4 16.2 23.6 99.4 91 93 A H H > S+ 0 0 110 -2,-0.3 4,-0.6 1,-0.2 -1,-0.1 0.862 113.3 56.4 -65.1 -30.0 17.1 24.1 95.7 92 94 A V H >4 S+ 0 0 45 1,-0.2 3,-1.0 2,-0.2 4,-0.3 0.947 108.5 45.0 -65.1 -45.7 20.5 22.5 96.4 93 95 A R H >> S+ 0 0 4 1,-0.2 4,-2.4 2,-0.2 3,-2.0 0.824 99.8 71.3 -69.8 -28.3 18.9 19.3 97.8 94 96 A E H 3< S+ 0 0 45 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.725 88.8 63.3 -57.9 -22.7 16.4 19.2 94.9 95 97 A K T << S+ 0 0 148 -3,-1.0 -1,-0.3 -4,-0.6 -2,-0.2 0.694 116.2 28.2 -73.9 -19.6 19.2 18.3 92.6 96 98 A A T <4 S+ 0 0 21 -3,-2.0 123,-0.6 -4,-0.3 2,-0.3 0.671 128.0 14.8-112.5 -31.0 19.7 15.0 94.5 97 99 A I E < S-D 218 0A 0 -4,-2.4 2,-0.3 121,-0.2 -1,-0.2 -0.863 71.7-114.4-136.2 173.8 16.4 14.0 96.0 98 100 A D E -D 217 0A 21 119,-2.3 119,-2.3 -2,-0.3 2,-0.4 -0.815 24.3-157.2-108.7 156.2 12.7 14.9 95.6 99 101 A F E -D 216 0A 11 -2,-0.3 117,-0.2 117,-0.2 125,-0.0 -0.985 14.4-126.9-129.7 147.7 10.4 16.6 98.1 100 102 A S - 0 0 6 115,-2.2 125,-0.1 -2,-0.4 3,-0.1 -0.199 54.1 -74.9 -62.7 169.7 6.7 16.8 98.7 101 103 A K S S- 0 0 81 123,-0.2 114,-0.5 1,-0.1 -1,-0.2 -0.300 71.2 -81.1 -55.8 158.0 5.1 20.2 99.0 102 104 A P - 0 0 54 0, 0.0 112,-0.3 0, 0.0 -1,-0.1 -0.388 33.5-169.2 -71.2 145.1 5.8 21.7 102.4 103 105 A F S S+ 0 0 10 110,-2.4 2,-0.3 1,-0.3 111,-0.1 0.493 78.6 22.7-104.0 -12.8 3.9 20.8 105.5 104 106 A M E S-I 213 0E 12 109,-1.0 109,-2.6 2,-0.0 -1,-0.3 -0.987 71.9-134.8-151.5 144.8 5.4 23.6 107.6 105 107 A T E +I 212 0E 55 -2,-0.3 2,-0.3 107,-0.2 107,-0.3 -0.714 31.8 152.8 -93.4 152.4 7.0 27.0 106.9 106 108 A L E -I 211 0E 0 105,-2.5 105,-2.9 -2,-0.3 2,-0.3 -0.965 21.8-156.4-162.3 167.0 10.1 28.3 108.6 107 109 A G - 0 0 0 -2,-0.3 81,-3.0 103,-0.2 2,-0.2 -0.973 34.2 -93.6-144.0 159.1 13.0 30.6 108.0 108 110 A V E +J 187 0F 0 -2,-0.3 100,-3.7 79,-0.2 101,-0.5 -0.488 56.5 149.3 -66.4 138.9 16.5 31.0 109.3 109 111 A S E -J 186 0F 0 77,-2.5 77,-2.2 98,-0.2 2,-0.5 -0.813 42.0 -81.9-152.5-162.2 16.8 33.3 112.3 110 112 A I E -JK 185 204F 2 94,-0.7 94,-2.9 96,-0.3 2,-0.5 -0.937 20.4-160.6-124.1 131.5 18.9 33.8 115.4 111 113 A L E +JK 184 203F 0 73,-2.5 73,-2.5 -2,-0.5 2,-0.3 -0.936 33.1 143.1-104.6 125.3 18.7 32.3 118.9 112 114 A Y E - K 0 202F 2 90,-2.4 90,-3.1 -2,-0.5 2,-0.1 -0.931 52.0 -81.1-151.8 168.3 20.5 34.3 121.6 113 115 A R E - K 0 201F 94 -2,-0.3 3,-0.4 88,-0.2 88,-0.3 -0.476 50.5-106.7 -74.6 150.8 20.1 35.3 125.2 114 116 A K S S+ 0 0 103 86,-2.0 -1,-0.1 1,-0.2 90,-0.0 -0.327 92.5 48.0 -64.9 155.3 17.7 38.1 126.2 115 117 A G S S+ 0 0 86 1,-0.3 -1,-0.2 3,-0.1 -2,-0.0 0.688 79.7 114.9 90.2 22.0 19.1 41.5 127.3 116 118 A T S S- 0 0 39 -3,-0.4 -1,-0.3 2,-0.2 -4,-0.0 -0.635 70.8-119.1-113.5 175.0 21.7 42.3 124.8 117 119 A P S S+ 0 0 117 0, 0.0 -1,-0.1 0, 0.0 6,-0.0 0.640 76.1 112.8 -81.3 -18.6 22.1 45.0 122.1 118 120 A I + 0 0 24 1,-0.1 -2,-0.2 5,-0.1 87,-0.1 -0.302 27.1 156.0 -65.9 133.2 22.2 42.5 119.2 119 121 A D + 0 0 102 1,-0.3 2,-0.3 85,-0.1 -1,-0.1 0.366 56.3 25.6-136.5 3.0 19.2 42.8 116.8 120 122 A S S > S- 0 0 35 85,-0.1 4,-1.2 1,-0.1 3,-0.3 -0.994 76.7-103.9-160.3 164.3 20.3 41.4 113.4 121 123 A A H > S+ 0 0 11 -2,-0.3 4,-2.7 1,-0.2 3,-0.2 0.851 118.8 61.1 -60.3 -35.9 22.7 39.2 111.6 122 124 A D H > S+ 0 0 86 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.907 99.2 55.2 -60.0 -39.6 24.6 42.3 110.5 123 125 A D H 4 S+ 0 0 27 -3,-0.3 4,-0.4 1,-0.2 -1,-0.2 0.867 111.2 45.3 -58.2 -35.1 25.3 43.1 114.2 124 126 A L H >< S+ 0 0 1 -4,-1.2 3,-1.3 -3,-0.2 -2,-0.2 0.926 111.1 52.8 -73.5 -40.7 26.8 39.6 114.5 125 127 A A H 3< S+ 0 0 7 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.783 104.2 56.1 -67.2 -29.7 28.8 39.9 111.3 126 128 A K T 3< S+ 0 0 137 -4,-2.1 2,-0.3 -5,-0.2 -1,-0.3 0.620 106.8 55.4 -70.4 -18.1 30.4 43.2 112.4 127 129 A Q < - 0 0 113 -3,-1.3 -1,-0.0 -4,-0.4 0, 0.0 -0.933 52.3-165.4-133.8 146.8 31.9 41.8 115.6 128 130 A T S S+ 0 0 97 -2,-0.3 -1,-0.1 1,-0.1 -4,-0.0 0.458 77.5 78.9-109.5 -8.0 34.2 39.0 116.7 129 131 A K S S+ 0 0 155 1,-0.1 2,-0.5 2,-0.1 52,-0.1 0.963 87.8 62.3 -66.1 -51.7 33.6 38.9 120.5 130 132 A I S S- 0 0 7 -6,-0.1 52,-0.2 52,-0.1 2,-0.1 -0.652 82.4-143.9 -80.3 120.8 30.3 37.0 120.2 131 133 A E E +l 182 0F 32 50,-2.4 52,-2.6 -2,-0.5 2,-0.3 -0.463 23.2 175.9 -79.5 154.2 30.7 33.6 118.6 132 134 A Y E +l 183 0F 2 50,-0.2 2,-0.3 -2,-0.1 52,-0.2 -0.994 10.6 132.9-155.9 156.2 28.0 32.2 116.2 133 135 A G E -l 184 0F 0 50,-1.4 52,-3.4 -2,-0.3 2,-0.3 -0.878 33.1-114.8-172.5-149.7 27.3 29.2 114.0 134 136 A A E -m 166 0G 0 31,-0.6 33,-1.4 -2,-0.3 2,-0.3 -0.900 47.1 -60.6-162.3 171.2 24.8 26.6 113.0 135 137 A V E > -m 167 0G 3 50,-0.5 3,-1.2 -2,-0.3 6,-0.6 -0.550 62.4-111.1 -69.2 129.9 24.1 22.8 113.0 136 138 A K T 3 S+ 0 0 91 31,-3.6 -77,-0.3 -2,-0.3 -76,-0.1 -0.388 94.6 7.5 -64.9 132.2 26.9 21.1 111.1 137 139 A D T 3 S+ 0 0 19 1,-0.3 -77,-2.4 -2,-0.1 -78,-0.2 0.758 102.8 116.7 66.9 31.2 25.7 19.5 107.8 138 140 A G S <> S- 0 0 0 -3,-1.2 4,-2.2 -79,-0.2 -1,-0.3 -0.602 82.4 -94.9-111.9-176.3 22.3 21.0 107.8 139 141 A A H > S+ 0 0 4 -2,-0.2 4,-2.5 2,-0.2 5,-0.2 0.857 120.4 57.0 -71.9 -31.8 20.5 23.4 105.6 140 142 A T H > S+ 0 0 0 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.967 108.4 46.2 -66.9 -48.1 21.4 26.4 107.6 141 143 A M H > S+ 0 0 14 -6,-0.6 4,-3.0 1,-0.2 5,-0.2 0.950 113.4 50.3 -51.9 -50.2 25.1 25.7 107.4 142 144 A T H X S+ 0 0 30 -4,-2.2 4,-2.7 1,-0.2 -1,-0.2 0.884 104.4 58.4 -59.9 -37.0 24.7 25.1 103.7 143 145 A F H X S+ 0 0 52 -4,-2.5 4,-1.0 1,-0.2 -1,-0.2 0.943 112.7 39.5 -58.2 -44.5 22.9 28.4 103.3 144 146 A F H >< S+ 0 0 1 -4,-1.9 3,-0.7 1,-0.2 12,-0.2 0.948 114.4 52.4 -72.7 -42.6 25.8 30.3 104.7 145 147 A K H 3< S+ 0 0 104 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.833 117.8 38.4 -62.2 -34.6 28.5 28.2 103.0 146 148 A K H 3< S+ 0 0 113 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.551 88.1 121.9 -92.5 -8.5 26.8 28.7 99.6 147 149 A S << - 0 0 18 -4,-1.0 9,-0.0 -3,-0.7 -3,-0.0 -0.252 42.5-167.6 -66.5 142.4 25.7 32.4 100.0 148 150 A K + 0 0 114 822,-0.1 2,-0.4 4,-0.0 823,-0.4 0.275 57.5 110.5-104.2 4.3 27.0 35.0 97.5 149 151 A I S > S- 0 0 59 1,-0.1 4,-2.4 821,-0.1 3,-0.5 -0.697 72.8-131.4 -88.0 133.4 25.8 37.8 99.8 150 152 A S H > S+ 0 0 84 -2,-0.4 4,-2.1 1,-0.3 5,-0.2 0.875 102.8 48.3 -57.1 -47.4 28.7 39.8 101.3 151 153 A T H > S+ 0 0 32 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.877 114.1 46.3 -61.1 -39.7 27.5 39.7 104.9 152 154 A F H > S+ 0 0 34 -3,-0.5 4,-2.8 2,-0.2 -1,-0.2 0.826 109.8 53.6 -75.3 -31.9 26.7 36.0 104.9 153 155 A E H X S+ 0 0 75 -4,-2.4 4,-2.7 2,-0.2 -1,-0.2 0.896 109.2 50.4 -62.3 -41.3 30.1 35.2 103.3 154 156 A K H X S+ 0 0 127 -4,-2.1 4,-1.9 -5,-0.3 -2,-0.2 0.953 112.6 46.0 -61.7 -47.7 31.7 37.1 106.1 155 157 A M H X S+ 0 0 0 -4,-2.2 4,-2.7 1,-0.2 5,-0.2 0.877 112.0 51.2 -64.5 -39.4 29.6 35.1 108.6 156 158 A W H X S+ 0 0 37 -4,-2.8 4,-2.9 -12,-0.2 5,-0.2 0.924 106.9 53.4 -61.9 -45.1 30.5 31.9 106.9 157 159 A A H X S+ 0 0 56 -4,-2.7 4,-0.7 1,-0.2 -2,-0.2 0.884 112.3 46.5 -59.3 -37.3 34.2 32.8 107.0 158 160 A F H >X S+ 0 0 26 -4,-1.9 4,-1.9 2,-0.2 3,-0.9 0.967 115.4 42.5 -66.2 -56.8 33.8 33.3 110.7 159 161 A M H 3< S+ 0 0 0 -4,-2.7 6,-0.3 1,-0.3 7,-0.2 0.913 110.9 56.5 -54.6 -49.9 31.8 30.1 111.5 160 162 A S H 3< S+ 0 0 70 -4,-2.9 -1,-0.3 -5,-0.2 -2,-0.2 0.774 109.9 48.3 -52.9 -29.2 34.0 28.1 109.2 161 163 A S H << S+ 0 0 93 -3,-0.9 -2,-0.2 -4,-0.7 -1,-0.2 0.938 87.9 85.1 -81.5 -54.7 37.0 29.3 111.3 162 164 A K S >< S- 0 0 70 -4,-1.9 3,-1.3 -30,-0.1 4,-0.5 -0.353 76.8-137.7 -56.2 119.8 35.9 28.6 114.9 163 165 A P T 3 S+ 0 0 127 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.764 97.2 22.1 -55.4 -33.7 36.8 25.0 115.7 164 166 A S T 3 S+ 0 0 58 1,-0.1 -2,-0.1 3,-0.0 -5,-0.1 0.172 89.7 102.1-123.8 14.8 33.5 24.3 117.5 165 167 A A S < S+ 0 0 0 -3,-1.3 2,-1.0 -6,-0.3 -31,-0.6 0.733 70.5 75.1 -71.6 -20.7 31.1 26.9 116.2 166 168 A L E S-m 134 0G 38 -4,-0.5 -31,-0.2 -7,-0.2 -1,-0.1 -0.794 84.5-151.6 -96.0 101.8 29.5 24.3 113.9 167 169 A V E -m 135 0G 0 -33,-1.4 -31,-3.6 -2,-1.0 3,-0.1 -0.271 17.3-125.6 -81.1 154.3 27.5 22.3 116.4 168 170 A K S S- 0 0 155 -33,-0.2 2,-0.3 1,-0.1 -1,-0.1 0.869 83.4 -21.5 -67.2 -38.9 26.5 18.6 116.2 169 171 A N S > S- 0 0 55 1,-0.1 4,-1.6 -111,-0.1 5,-0.2 -0.914 76.7 -84.2-157.6 176.0 22.8 19.1 116.6 170 172 A N H > S+ 0 0 4 -2,-0.3 4,-3.3 2,-0.2 5,-0.3 0.928 121.4 59.1 -57.5 -47.8 20.3 21.6 118.0 171 173 A E H > S+ 0 0 92 1,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.919 109.0 45.6 -54.4 -43.2 20.5 20.4 121.6 172 174 A E H > S+ 0 0 73 2,-0.2 4,-1.9 1,-0.2 -1,-0.3 0.851 113.2 48.5 -64.8 -38.0 24.3 21.1 121.5 173 175 A G H X S+ 0 0 0 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.877 109.8 53.4 -69.5 -37.7 23.8 24.6 119.9 174 176 A I H X S+ 0 0 12 -4,-3.3 4,-1.5 1,-0.2 -2,-0.2 0.959 110.8 46.1 -60.8 -47.8 21.1 25.3 122.5 175 177 A Q H X S+ 0 0 87 -4,-2.3 4,-2.3 -5,-0.3 -1,-0.2 0.856 110.4 52.7 -63.4 -36.1 23.5 24.5 125.3 176 178 A R H X S+ 0 0 64 -4,-1.9 4,-2.2 1,-0.2 6,-0.2 0.883 107.7 51.5 -70.7 -33.3 26.3 26.5 123.8 177 179 A T H < S+ 0 0 3 -4,-2.1 5,-0.3 1,-0.2 -1,-0.2 0.824 113.0 47.7 -67.0 -32.5 24.0 29.5 123.6 178 180 A L H < S+ 0 0 73 -4,-1.5 -2,-0.2 -5,-0.2 -1,-0.2 0.877 123.1 29.4 -74.0 -37.2 23.2 28.9 127.3 179 181 A T H < S+ 0 0 113 -4,-2.3 2,-0.3 -5,-0.1 -2,-0.2 0.541 118.4 39.7-109.0 -10.3 26.8 28.5 128.5 180 182 A A S < S- 0 0 41 -4,-2.2 2,-1.6 -5,-0.2 -50,-0.0 -0.779 92.8 -92.0-127.8 177.2 29.0 30.6 126.2 181 183 A D S S+ 0 0 47 -2,-0.3 -50,-2.4 -52,-0.1 2,-0.3 -0.660 81.6 130.9 -86.5 81.0 28.8 34.0 124.5 182 184 A Y E - l 0 131F 0 -2,-1.6 2,-0.4 -5,-0.3 -50,-0.2 -0.993 47.2-154.5-142.5 137.5 27.3 32.3 121.3 183 185 A A E - l 0 132F 0 -52,-2.6 -50,-1.4 -2,-0.3 2,-0.5 -0.942 19.0-141.5-113.4 138.9 24.3 32.9 119.0 184 186 A L E -Jl 111 133F 1 -73,-2.5 -73,-2.5 -2,-0.4 2,-0.7 -0.877 7.1-139.2-105.3 124.5 22.8 30.0 117.1 185 187 A L E +J 110 0F 1 -52,-3.4 -50,-0.5 -2,-0.5 2,-0.3 -0.716 46.6 162.6 -76.5 114.5 21.6 30.4 113.5 186 188 A M E -J 109 0F 1 -77,-2.2 -77,-2.5 -2,-0.7 2,-0.2 -0.931 44.6 -93.2-142.6 153.4 18.5 28.3 113.8 187 189 A E E >> -J 108 0F 3 -2,-0.3 4,-1.9 -79,-0.2 3,-1.1 -0.525 39.5-122.0 -78.0 140.9 15.2 27.6 112.0 188 190 A S H 3> S+ 0 0 8 -81,-3.0 4,-2.9 1,-0.3 5,-0.1 0.756 105.2 54.7 -58.2 -37.4 12.4 29.8 113.3 189 191 A T H 3> S+ 0 0 0 2,-0.2 4,-1.8 1,-0.2 -1,-0.3 0.811 110.1 49.1 -71.6 -27.1 9.9 27.1 114.3 190 192 A T H <> S+ 0 0 4 -3,-1.1 4,-2.6 2,-0.2 5,-0.2 0.930 110.0 50.5 -73.2 -44.7 12.5 25.5 116.6 191 193 A I H X S+ 0 0 0 -4,-1.9 4,-3.2 1,-0.2 5,-0.3 0.941 108.3 54.3 -54.8 -47.3 13.3 28.9 118.0 192 194 A E H X S+ 0 0 26 -4,-2.9 4,-0.7 1,-0.2 -1,-0.2 0.940 110.4 46.3 -47.0 -53.4 9.6 29.3 118.7 193 195 A Y H X S+ 0 0 16 -4,-1.8 4,-0.6 1,-0.2 3,-0.5 0.924 117.5 42.0 -56.5 -49.8 9.6 26.0 120.6 194 196 A I H >X S+ 0 0 20 -4,-2.6 4,-2.5 1,-0.2 3,-0.8 0.855 107.5 57.2 -68.5 -43.3 12.7 26.8 122.6 195 197 A T H 3< S+ 0 0 33 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.631 106.5 51.8 -72.0 -12.8 12.0 30.4 123.5 196 198 A Q H 3< S+ 0 0 46 -4,-0.7 -1,-0.3 -3,-0.5 -2,-0.2 0.644 115.3 40.7 -93.5 -18.8 8.7 29.4 125.1 197 199 A R H << S+ 0 0 100 -3,-0.8 2,-0.5 -4,-0.6 -2,-0.2 0.677 120.5 46.3 -95.6 -25.2 10.4 26.7 127.3 198 200 A N >< - 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0 0 79 -4,-2.0 4,-0.3 1,-0.1 -4,-0.0 -0.479 66.2-151.5 -70.3 137.9 38.8 55.3 77.7 927 165 D P S S+ 0 0 127 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.772 98.8 36.9 -70.4 -28.1 36.9 55.6 74.4 928 166 D S S S+ 0 0 45 1,-0.1 -5,-0.1 3,-0.0 -2,-0.0 0.504 87.2 91.0-108.9 -10.9 36.8 51.9 74.1 929 167 D A S S+ 0 0 0 -6,-0.2 2,-0.4 -7,-0.2 -1,-0.1 0.886 78.8 68.8 -58.7 -40.1 36.4 50.5 77.7 930 168 D L S S- 0 0 37 -4,-0.3 2,-0.2 -7,-0.3 -31,-0.2 -0.681 75.5-154.6 -87.0 128.2 32.6 50.5 77.4 931 169 D V B -z 899 0b 1 -33,-2.0 -31,-2.8 -2,-0.4 3,-0.1 -0.640 22.5-120.7-103.2 160.1 31.2 47.9 75.0 932 170 D K S S- 0 0 149 -2,-0.2 2,-0.3 -33,-0.2 -1,-0.1 0.827 86.5 -16.7 -65.6 -33.8 27.9 48.0 73.2 933 171 D N S > S- 0 0 54 1,-0.1 4,-2.0 -34,-0.1 3,-0.4 -0.968 77.4 -82.4-162.6 173.9 26.6 44.8 74.7 934 172 D N H > S+ 0 0 6 -2,-0.3 4,-2.9 1,-0.2 5,-0.3 0.933 122.5 56.0 -52.8 -47.4 27.5 41.6 76.6 935 173 D E H > S+ 0 0 88 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.863 106.5 47.6 -57.8 -44.2 28.6 39.9 73.4 936 174 D E H > S+ 0 0 71 -3,-0.4 4,-2.2 1,-0.2 -1,-0.2 0.938 114.2 49.5 -60.5 -43.3 31.1 42.6 72.4 937 175 D G H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.909 109.2 49.6 -63.5 -44.0 32.5 42.5 75.9 938 176 D I H X S+ 0 0 10 -4,-2.9 4,-1.5 1,-0.2 -1,-0.2 0.929 111.4 49.6 -61.5 -44.1 32.9 38.8 76.0 939 177 D Q H X S+ 0 0 102 -4,-2.1 4,-1.1 -5,-0.3 -1,-0.2 0.892 108.0 54.3 -62.4 -37.9 34.7 38.8 72.7 940 178 D R H X S+ 0 0 44 -4,-2.2 4,-2.9 1,-0.2 3,-0.4 0.901 105.1 53.9 -62.2 -41.5 37.0 41.5 74.0 941 179 D T H < S+ 0 0 1 -4,-2.2 5,-0.3 1,-0.2 -1,-0.2 0.817 114.5 41.0 -60.3 -33.8 37.8 39.3 77.0 942 180 D L H < S+ 0 0 47 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.628 121.4 44.4 -85.3 -13.4 38.8 36.5 74.5 943 181 D T H < S+ 0 0 115 -4,-1.1 2,-0.3 -3,-0.4 -2,-0.2 0.748 119.2 11.5-105.7 -32.1 40.5 39.0 72.2 944 182 D A S < S- 0 0 48 -4,-2.9 2,-1.8 -5,-0.1 -1,-0.1 -0.832 92.7 -77.3-140.9 176.1 42.6 41.3 74.3 945 183 D D S S+ 0 0 88 -2,-0.3 -50,-2.1 -52,-0.1 2,-0.3 -0.609 83.9 133.8 -82.3 88.9 43.8 41.6 77.9 946 184 D Y E - 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