==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-OCT-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER MEMBRANE PROTEIN 06-FEB-12 4DLD . COMPND 2 MOLECULE: GLUTAMATE RECEPTOR, IONOTROPIC KAINATE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; . AUTHOR R.VENSKUTONYTE,K.FRYDENVANG,J.S.KASTRUP . 509 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24304.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 334 65.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 30 5.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 56 11.0 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 . 24 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 44 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 149 29.3 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 0 4 0 0 3 1 2 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 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 3 A N 0 0 170 0, 0.0 2,-0.2 0, 0.0 47,-0.1 0.000 360.0 360.0 360.0 118.2 -9.1 4.4 109.8 2 4 A R - 0 0 162 1,-0.1 46,-0.3 45,-0.0 2,-0.2 -0.433 360.0-112.2 -65.8 129.8 -10.3 6.5 106.8 3 5 A T - 0 0 49 -2,-0.2 46,-0.2 44,-0.1 2,-0.2 -0.446 34.4-125.1 -64.9 128.3 -7.4 8.5 105.2 4 6 A L E -a 49 0A 3 44,-2.7 46,-2.5 -2,-0.2 2,-0.6 -0.507 11.3-131.2 -78.7 144.6 -7.8 12.2 105.8 5 7 A I E -a 50 0A 47 44,-0.2 76,-2.5 -2,-0.2 77,-1.9 -0.853 22.0-164.4 -95.0 119.8 -8.0 14.7 102.9 6 8 A V E -ab 51 82A 0 44,-2.7 46,-3.5 -2,-0.6 2,-0.3 -0.904 3.1-156.8-109.1 113.8 -5.6 17.6 103.6 7 9 A T E +ab 52 83A 3 75,-2.7 77,-1.7 -2,-0.6 2,-0.3 -0.645 26.7 151.7 -84.5 145.6 -6.1 20.7 101.4 8 10 A T E -a 53 0A 4 44,-1.4 46,-2.8 -2,-0.3 2,-0.3 -0.896 31.7-126.3-160.0-173.8 -3.1 23.1 101.0 9 11 A I - 0 0 15 75,-0.3 2,-0.5 -2,-0.3 6,-0.1 -0.998 30.1-100.6-151.4 142.4 -1.5 25.6 98.7 10 12 A L + 0 0 74 -2,-0.3 2,-0.2 4,-0.1 6,-0.2 -0.565 58.4 144.6 -69.4 119.5 1.9 26.1 97.1 11 13 A E B >> -E 15 0B 56 4,-2.2 3,-2.2 -2,-0.5 4,-2.0 -0.749 49.4 -90.2-161.4 109.5 3.7 28.7 99.2 12 14 A E T 34 S+ 0 0 107 1,-0.3 20,-0.1 -2,-0.2 182,-0.1 -0.372 102.5 0.2 -66.6 138.4 7.4 28.8 99.9 13 15 A P T 34 S+ 0 0 1 0, 0.0 20,-2.2 0, 0.0 -1,-0.3 -0.831 127.6 61.2-102.3 28.8 8.7 27.5 102.2 14 16 A Y T <4 S+ 0 0 1 -3,-2.2 20,-1.9 1,-0.3 21,-0.8 0.923 121.5 5.3 -77.0 -47.0 5.5 26.1 103.7 15 17 A V B < S+E 11 0B 1 -4,-2.0 -4,-2.2 19,-0.2 2,-0.3 -0.963 78.3 159.5-143.5 119.0 4.5 23.9 100.8 16 18 A M E -F 31 0C 36 15,-2.6 15,-2.2 -2,-0.3 2,-0.3 -0.977 45.1-100.2-141.0 150.5 6.7 23.4 97.7 17 19 A Y E -F 30 0C 126 -2,-0.3 13,-0.2 13,-0.2 2,-0.1 -0.556 47.2-120.8 -63.6 131.0 7.2 20.9 94.9 18 20 A R - 0 0 88 11,-3.3 2,-0.6 -2,-0.3 6,-0.1 -0.435 24.0-111.0 -72.5 150.8 10.2 18.7 95.7 19 21 A K + 0 0 181 -2,-0.1 2,-0.3 2,-0.0 -1,-0.1 -0.759 51.2 157.4 -86.7 121.7 13.1 18.7 93.3 20 22 A S - 0 0 43 -2,-0.6 4,-0.1 1,-0.1 9,-0.0 -0.999 47.2-147.0-146.8 146.5 13.4 15.4 91.5 21 23 A D S S+ 0 0 168 -2,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.615 94.0 49.9 -84.3 -13.6 14.9 14.0 88.3 22 24 A K S S- 0 0 141 -3,-0.0 0, 0.0 1,-0.0 0, 0.0 -0.892 104.5 -84.9-121.7 156.3 12.0 11.5 88.1 23 25 A P - 0 0 96 0, 0.0 2,-0.3 0, 0.0 -2,-0.1 -0.304 44.6-144.6 -58.8 136.1 8.3 12.1 88.4 24 26 A L - 0 0 38 -6,-0.1 2,-0.3 -4,-0.1 5,-0.1 -0.760 10.9-152.8-104.7 154.3 7.0 12.1 92.0 25 27 A Y > - 0 0 180 -2,-0.3 3,-1.1 0, 0.0 4,-0.2 -0.914 45.3 -23.4-129.3 150.8 3.7 10.8 93.2 26 28 A G G > S- 0 0 38 -2,-0.3 3,-2.0 1,-0.2 4,-0.2 -0.107 121.9 -11.8 54.9-144.4 1.3 11.4 96.1 27 29 A N G > S+ 0 0 48 1,-0.3 3,-1.6 2,-0.2 -1,-0.2 0.755 125.8 73.1 -60.3 -27.2 2.5 13.1 99.2 28 30 A D G < S+ 0 0 84 -3,-1.1 -1,-0.3 1,-0.3 -2,-0.2 0.638 81.1 75.8 -65.1 -12.4 6.2 12.6 98.2 29 31 A R G < S+ 0 0 77 -3,-2.0 -11,-3.3 -4,-0.2 -1,-0.3 0.833 95.0 54.3 -64.1 -31.7 5.5 15.4 95.6 30 32 A F E < +F 17 0C 10 -3,-1.6 2,-0.3 -4,-0.2 -13,-0.2 -0.666 54.5 172.5-111.1 158.1 5.8 18.1 98.3 31 33 A E E +F 16 0C 66 -15,-2.2 -15,-2.6 -2,-0.2 2,-0.2 -0.963 25.6 93.9-148.7 167.7 8.1 19.3 101.0 32 34 A G S >> S- 0 0 0 -2,-0.3 4,-2.3 -17,-0.2 3,-0.6 -0.729 81.6 -51.7 138.1 175.3 8.3 22.2 103.4 33 35 A Y H 3> S+ 0 0 3 -20,-2.2 4,-2.5 1,-0.2 -19,-0.2 0.879 131.1 49.7 -46.3 -46.6 7.4 23.5 106.9 34 36 A C H 3> S+ 0 0 2 -20,-1.9 4,-2.5 1,-0.2 -1,-0.2 0.837 107.7 53.5 -71.3 -30.2 3.8 22.4 106.6 35 37 A L H <> S+ 0 0 18 -21,-0.8 4,-2.5 -3,-0.6 -1,-0.2 0.910 111.1 46.2 -66.7 -42.0 4.7 18.9 105.4 36 38 A D H X S+ 0 0 39 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.913 112.8 49.7 -65.0 -43.9 6.9 18.5 108.4 37 39 A L H X S+ 0 0 0 -4,-2.5 4,-2.6 -5,-0.2 -2,-0.2 0.928 111.9 49.3 -58.0 -44.4 4.2 19.8 110.7 38 40 A L H X S+ 0 0 3 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.904 109.2 51.3 -63.8 -42.5 1.7 17.4 109.0 39 41 A K H X S+ 0 0 127 -4,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.913 111.4 47.9 -62.9 -42.0 4.0 14.5 109.5 40 42 A E H X S+ 0 0 59 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.937 111.9 49.8 -61.0 -48.6 4.4 15.3 113.2 41 43 A L H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 5,-0.3 0.890 110.4 49.6 -58.3 -42.1 0.7 15.7 113.6 42 44 A S H X>S+ 0 0 13 -4,-2.4 4,-1.7 2,-0.2 5,-0.9 0.873 111.5 49.2 -69.3 -35.1 -0.1 12.3 111.9 43 45 A N H <5S+ 0 0 114 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.921 115.9 43.0 -65.0 -45.1 2.5 10.5 114.1 44 46 A I H <5S+ 0 0 64 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.888 125.4 31.8 -67.0 -44.6 1.1 12.0 117.3 45 47 A L H <5S- 0 0 51 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.582 103.3-124.9 -97.3 -13.7 -2.5 11.6 116.5 46 48 A G T <5 + 0 0 46 -4,-1.7 2,-0.3 -5,-0.3 -3,-0.2 0.934 58.0 135.7 71.9 50.2 -2.3 8.4 114.4 47 49 A F < - 0 0 8 -5,-0.9 2,-0.3 -6,-0.1 -1,-0.2 -0.909 46.3-136.0-123.3 154.5 -4.0 9.3 111.1 48 50 A L - 0 0 115 -2,-0.3 -44,-2.7 -46,-0.3 2,-0.3 -0.749 28.7-168.4-100.5 159.7 -3.1 8.8 107.5 49 51 A Y E -a 4 0A 37 -2,-0.3 2,-0.4 -46,-0.2 -44,-0.2 -0.991 25.3-149.8-152.8 152.3 -3.4 11.6 105.0 50 52 A D E -a 5 0A 70 -46,-2.5 -44,-2.7 -2,-0.3 2,-0.4 -0.997 25.3-138.3-122.1 125.4 -3.5 12.5 101.3 51 53 A V E -a 6 0A 2 -2,-0.4 2,-0.4 -46,-0.2 -44,-0.2 -0.693 22.8-175.7 -86.8 130.7 -2.3 16.0 100.5 52 54 A K E -a 7 0A 88 -46,-3.5 -44,-1.4 -2,-0.4 2,-0.1 -0.976 24.2-128.1-131.7 120.6 -4.4 17.8 97.9 53 55 A L E -a 8 0A 52 -2,-0.4 -44,-0.2 -46,-0.2 -46,-0.1 -0.385 39.8-101.9 -60.6 137.3 -3.6 21.2 96.4 54 56 A V > - 0 0 9 -46,-2.8 3,-1.7 1,-0.1 -1,-0.1 -0.477 31.1-136.7 -61.5 123.9 -6.7 23.5 96.6 55 57 A P T 3 S+ 0 0 113 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.856 100.1 45.0 -54.9 -42.5 -8.1 23.4 93.1 56 58 A D T 3 S- 0 0 72 2,-0.1 3,-0.1 1,-0.0 -2,-0.1 0.455 103.6-130.0 -83.5 1.6 -8.9 27.2 92.8 57 59 A G < + 0 0 44 -3,-1.7 2,-0.3 1,-0.2 -48,-0.1 0.757 63.3 125.8 56.0 31.2 -5.5 28.1 94.3 58 60 A K - 0 0 99 1,-0.1 13,-1.6 3,-0.0 -1,-0.2 -0.893 59.3-142.6-119.2 150.5 -6.9 30.5 96.9 59 61 A Y - 0 0 52 -2,-0.3 13,-1.5 11,-0.3 12,-0.5 0.969 67.2 -75.9 -68.3 -54.9 -6.5 30.8 100.7 60 62 A G + 0 0 7 10,-0.2 2,-0.3 11,-0.2 10,-0.2 -0.229 61.6 149.8 149.2 115.3 -10.1 31.9 101.3 61 63 A A - 0 0 17 -2,-0.1 8,-0.7 6,-0.1 2,-0.4 -0.957 38.3-106.0-153.5 167.2 -12.1 35.1 100.9 62 64 A Q B -G 68 0D 90 -2,-0.3 6,-0.2 6,-0.2 2,-0.1 -0.839 25.0-144.6-104.5 139.3 -15.7 36.2 100.3 63 65 A N > - 0 0 68 4,-1.8 3,-2.5 -2,-0.4 -1,-0.0 -0.202 48.2 -74.9 -82.6-175.3 -16.9 37.8 97.0 64 66 A D T 3 S+ 0 0 175 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.763 134.1 51.8 -50.0 -30.2 -19.5 40.5 96.7 65 67 A K T 3 S- 0 0 165 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.287 119.6-106.2 -97.9 8.7 -22.2 38.0 97.5 66 68 A G S < S+ 0 0 34 -3,-2.5 2,-0.3 1,-0.3 -2,-0.1 0.460 70.6 148.3 83.3 2.7 -20.6 36.7 100.7 67 69 A E - 0 0 115 1,-0.1 -4,-1.8 -5,-0.0 -1,-0.3 -0.525 39.9-134.4 -78.4 132.5 -19.6 33.4 99.0 68 70 A W B +G 62 0D 35 -2,-0.3 2,-0.2 -6,-0.2 -6,-0.2 -0.409 24.0 177.2 -82.5 159.5 -16.4 31.8 100.2 69 71 A N > + 0 0 40 -8,-0.7 4,-1.9 -2,-0.1 3,-0.4 -0.718 40.7 36.6-138.4-170.5 -13.6 30.3 98.0 70 72 A G H > S- 0 0 2 -2,-0.2 4,-2.1 1,-0.2 -11,-0.3 -0.024 115.7 -26.6 63.3-159.2 -10.3 28.6 98.5 71 73 A M H > S+ 0 0 0 -13,-1.6 4,-2.0 -12,-0.5 -1,-0.2 0.851 135.7 61.4 -64.2 -32.2 -9.3 26.3 101.3 72 74 A V H > S+ 0 0 0 -13,-1.5 4,-2.4 -3,-0.4 -1,-0.2 0.950 106.3 45.2 -56.9 -49.2 -11.9 27.9 103.5 73 75 A K H X S+ 0 0 86 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.899 107.6 58.5 -62.8 -40.9 -14.7 26.8 101.1 74 76 A E H <>S+ 0 0 38 -4,-2.1 5,-3.1 1,-0.2 6,-0.8 0.890 110.5 43.6 -51.8 -43.1 -13.1 23.3 100.8 75 77 A L H ><5S+ 0 0 0 -4,-2.0 3,-1.6 3,-0.2 -2,-0.2 0.930 111.2 51.7 -70.6 -47.5 -13.6 22.9 104.6 76 78 A I H 3<5S+ 0 0 57 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.891 114.0 45.4 -56.1 -40.7 -17.1 24.4 104.8 77 79 A D T 3<5S- 0 0 68 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.349 112.7-118.2 -87.0 6.0 -18.2 22.0 102.0 78 80 A H T < 5S+ 0 0 139 -3,-1.6 -3,-0.2 2,-0.1 -2,-0.1 0.898 75.4 129.7 55.8 42.4 -16.5 19.0 103.6 79 81 A R S - 0 0 25 -2,-0.8 4,-2.9 1,-0.1 5,-0.2 -0.869 46.7-119.7-120.8 157.8 -9.3 35.8 111.5 91 93 A Y H > S+ 0 0 23 -2,-0.3 4,-1.1 1,-0.2 -1,-0.1 0.882 114.2 54.6 -67.1 -31.9 -12.6 36.4 113.2 92 94 A V H 4 S+ 0 0 36 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.922 114.5 39.3 -65.0 -42.8 -14.4 36.4 109.9 93 95 A R H >> S+ 0 0 18 1,-0.2 4,-1.8 2,-0.2 3,-1.7 0.901 109.0 61.0 -72.2 -41.7 -12.9 33.0 108.9 94 96 A E H 3< S+ 0 0 6 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.751 96.6 63.2 -57.5 -24.9 -13.3 31.6 112.5 95 97 A K T 3< S+ 0 0 120 -4,-1.1 -1,-0.3 -5,-0.2 -2,-0.2 0.814 112.4 33.0 -68.0 -29.3 -17.0 32.1 112.2 96 98 A V T <4 S+ 0 0 44 -3,-1.7 124,-0.5 -4,-0.4 2,-0.3 0.606 124.9 29.8-110.0 -15.2 -17.3 29.7 109.3 97 99 A I S < S- 0 0 0 -4,-1.8 2,-0.7 122,-0.1 -1,-0.0 -0.890 79.1-110.4-133.7 170.0 -14.7 27.1 110.1 98 100 A D E -D 218 0A 16 120,-2.8 120,-1.1 -2,-0.3 2,-0.3 -0.887 34.1-161.5-103.1 106.1 -13.0 25.6 113.2 99 101 A F E -D 217 0A 0 -2,-0.7 118,-0.2 118,-0.2 2,-0.1 -0.643 13.7-132.1 -85.0 140.3 -9.3 26.7 113.5 100 102 A S - 0 0 0 116,-2.8 3,-0.1 -2,-0.3 126,-0.1 -0.339 47.5 -81.0 -67.5 167.7 -6.8 24.9 115.7 101 103 A K - 0 0 8 124,-0.2 115,-0.5 1,-0.1 -1,-0.2 -0.368 69.5 -74.1 -66.9 157.4 -4.8 27.2 118.0 102 104 A P - 0 0 29 0, 0.0 113,-0.3 0, 0.0 -1,-0.1 -0.264 32.4-167.2 -64.5 136.8 -1.9 28.8 116.1 103 105 A F S S+ 0 0 2 111,-2.6 2,-0.3 1,-0.3 112,-0.1 0.531 85.4 25.0 -91.6 -9.9 1.2 26.8 115.2 104 106 A M E S-I 214 0E 12 110,-1.0 110,-2.3 2,-0.0 2,-0.3 -0.979 73.0-149.0-150.9 138.0 3.0 30.1 114.3 105 107 A T E +I 213 0E 63 -2,-0.3 2,-0.3 108,-0.2 108,-0.3 -0.833 32.6 131.9-111.4 153.4 2.4 33.7 115.5 106 108 A L E -I 212 0E 4 106,-3.1 106,-2.7 -2,-0.3 2,-0.3 -0.890 31.7-139.0-169.7-171.2 3.1 36.8 113.5 107 109 A G - 0 0 0 -2,-0.3 82,-3.3 104,-0.2 2,-0.2 -0.974 35.6 -80.9-165.2 165.0 1.8 40.1 112.3 108 110 A I E +J 188 0F 0 -2,-0.3 101,-3.6 80,-0.2 102,-0.5 -0.531 56.7 158.1 -69.2 137.0 1.6 42.4 109.3 109 111 A S E -J 187 0F 0 78,-2.4 78,-2.2 99,-0.2 2,-0.5 -0.797 39.3 -86.0-144.4-168.1 4.7 44.5 108.8 110 112 A I E -JK 186 205F 2 95,-0.8 95,-2.6 97,-0.3 2,-0.5 -0.924 22.3-160.3-116.0 126.5 6.6 46.3 106.0 111 113 A L E +JK 185 204F 0 74,-3.0 74,-2.2 -2,-0.5 2,-0.3 -0.902 35.3 139.4 -97.4 127.5 9.0 44.9 103.4 112 114 A Y E - K 0 203F 3 91,-2.3 91,-3.1 -2,-0.5 72,-0.1 -0.937 52.6 -71.5-157.5 171.5 11.2 47.7 101.9 113 115 A R E > - K 0 202F 74 -2,-0.3 3,-0.6 89,-0.2 89,-0.3 -0.376 48.3-113.4 -68.6 148.4 14.7 48.5 100.7 114 116 A K T 3 S+ 0 0 98 87,-2.7 -1,-0.1 1,-0.2 89,-0.0 -0.351 94.0 47.4 -68.4 163.5 17.5 49.0 103.2 115 117 A G T 3 S+ 0 0 85 1,-0.3 -1,-0.2 3,-0.1 -2,-0.0 0.531 80.1 119.4 85.3 7.0 19.0 52.5 103.4 116 118 A T < - 0 0 33 -3,-0.6 -1,-0.3 2,-0.2 -4,-0.0 -0.588 68.5-126.2 -99.8 166.5 15.8 54.6 103.6 117 119 A P S S+ 0 0 120 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.432 72.7 120.2 -85.7 2.7 14.6 57.0 106.4 118 120 A I + 0 0 20 1,-0.1 88,-0.2 5,-0.0 -2,-0.2 -0.486 27.7 161.5 -73.3 129.7 11.3 55.1 106.6 119 121 A D + 0 0 115 1,-0.3 2,-0.3 -2,-0.2 -1,-0.1 0.478 53.8 12.5-129.2 -7.2 10.7 53.7 110.0 120 122 A S S > S- 0 0 39 86,-0.1 4,-1.5 1,-0.1 -1,-0.3 -0.984 74.2 -98.5-161.1 168.0 7.0 52.9 110.5 121 123 A A H > S+ 0 0 11 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.891 121.6 60.2 -56.5 -41.5 3.6 52.5 108.9 122 124 A D H > S+ 0 0 81 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.896 99.6 54.8 -56.0 -43.7 2.9 56.1 110.0 123 125 A D H 4 S+ 0 0 38 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.925 112.5 43.6 -54.8 -47.1 5.9 57.3 107.9 124 126 A L H >< S+ 0 0 0 -4,-1.5 3,-1.4 1,-0.2 -2,-0.2 0.897 110.5 55.0 -62.8 -43.7 4.3 55.7 104.9 125 127 A A H 3< S+ 0 0 6 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.811 102.6 55.3 -67.3 -29.4 0.8 56.8 105.6 126 128 A K T 3< S+ 0 0 138 -4,-1.8 2,-0.3 -5,-0.2 -1,-0.3 0.310 107.9 52.9 -90.2 11.3 1.6 60.5 105.8 127 129 A Q < - 0 0 39 -3,-1.4 0, 0.0 3,-0.1 0, 0.0 -0.897 54.6-161.5-139.3 168.4 3.2 60.7 102.4 128 130 A T S S+ 0 0 113 -2,-0.3 4,-0.1 3,-0.1 -1,-0.1 0.396 74.1 81.9-132.0 -3.0 2.4 59.8 98.7 129 131 A K S S+ 0 0 175 1,-0.1 2,-0.5 2,-0.1 53,-0.1 0.967 85.5 61.3 -69.7 -54.4 5.8 59.6 96.9 130 132 A I S S- 0 0 19 -6,-0.1 2,-0.2 53,-0.1 53,-0.2 -0.622 86.7-136.3 -74.2 123.5 6.7 56.1 98.0 131 133 A E E +l 183 0F 82 51,-1.7 53,-2.6 -2,-0.5 2,-0.3 -0.548 27.2 177.8 -78.0 147.3 4.1 53.6 96.8 132 134 A Y E +l 184 0F 1 51,-0.2 2,-0.3 -2,-0.2 53,-0.2 -0.996 11.5 129.0-149.7 151.4 2.9 50.9 99.1 133 135 A G E -l 185 0F 0 51,-1.7 53,-3.3 -2,-0.3 2,-0.3 -0.908 35.8-112.8-172.4-161.5 0.3 48.1 99.0 134 136 A A - 0 0 0 -2,-0.3 34,-2.3 51,-0.2 2,-0.5 -0.867 51.2 -60.3-147.3 173.8 -0.4 44.5 99.5 135 137 A V B > S-m 168 0G 39 51,-0.4 3,-2.6 -2,-0.3 6,-0.5 -0.554 72.2-101.9 -64.2 115.7 -1.2 41.3 97.7 136 138 A R T 3 S- 0 0 133 32,-3.2 -1,-0.1 -2,-0.5 3,-0.1 -0.079 98.6 -3.4 -46.9 129.6 -4.5 42.1 95.9 137 139 A D T 3 S+ 0 0 77 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.564 105.4 137.8 63.5 8.2 -7.6 40.7 97.6 138 140 A G S <> S- 0 0 19 -3,-2.6 4,-2.4 1,-0.1 -1,-0.2 -0.242 71.8 -99.8 -79.7 171.8 -5.3 39.0 100.1 139 141 A S H > S+ 0 0 28 2,-0.2 4,-1.5 1,-0.2 -1,-0.1 0.756 123.3 51.5 -61.9 -30.9 -5.7 38.7 103.9 140 142 A T H > S+ 0 0 16 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.930 111.1 48.4 -72.0 -44.3 -3.3 41.6 104.6 141 143 A M H > S+ 0 0 3 -6,-0.5 4,-2.9 1,-0.2 -2,-0.2 0.896 107.8 55.6 -58.9 -42.2 -5.3 43.7 102.1 142 144 A T H X S+ 0 0 48 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.892 102.0 57.1 -61.5 -38.8 -8.5 42.7 103.9 143 145 A F H X S+ 0 0 9 -4,-1.5 4,-1.2 2,-0.2 -1,-0.2 0.948 112.5 40.2 -55.5 -49.9 -7.1 43.9 107.2 144 146 A F H < S+ 0 0 0 -4,-1.7 3,-0.4 1,-0.2 -2,-0.2 0.926 111.8 56.5 -65.7 -44.9 -6.6 47.4 105.8 145 147 A K H < S+ 0 0 113 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.867 117.1 35.6 -53.5 -38.9 -9.8 47.4 103.9 146 148 A K H < S+ 0 0 86 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.618 90.8 117.8 -93.2 -13.8 -11.7 46.7 107.1 147 149 A S < - 0 0 10 -4,-1.2 346,-0.1 -3,-0.4 9,-0.1 -0.247 39.5-173.2 -64.3 140.4 -9.7 48.7 109.6 148 150 A K + 0 0 164 345,-0.1 2,-0.4 5,-0.0 -1,-0.1 0.268 53.3 115.3-109.1 3.7 -11.3 51.6 111.4 149 151 A I S > S- 0 0 55 1,-0.1 4,-3.0 -5,-0.1 3,-0.5 -0.660 73.2-127.5 -76.9 126.7 -7.9 52.6 112.9 150 152 A S H > S+ 0 0 87 -2,-0.4 4,-2.4 1,-0.2 5,-0.2 0.849 103.1 44.7 -45.5 -55.9 -7.1 56.1 111.5 151 153 A T H > S+ 0 0 34 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.883 118.2 43.8 -60.8 -39.1 -3.6 55.4 110.1 152 154 A Y H > S+ 0 0 41 -3,-0.5 4,-2.2 2,-0.2 -1,-0.2 0.834 111.3 54.2 -79.8 -30.3 -4.6 52.1 108.5 153 155 A E H X S+ 0 0 85 -4,-3.0 4,-1.9 2,-0.2 -2,-0.2 0.893 109.7 49.0 -61.4 -42.5 -7.8 53.6 107.2 154 156 A K H X S+ 0 0 119 -4,-2.4 4,-1.9 -5,-0.3 -2,-0.2 0.921 110.9 49.1 -66.6 -41.5 -5.6 56.3 105.6 155 157 A M H X S+ 0 0 0 -4,-2.0 4,-3.1 1,-0.2 -2,-0.2 0.895 109.0 53.2 -65.1 -38.6 -3.3 53.7 104.1 156 158 A W H X S+ 0 0 39 -4,-2.2 4,-3.0 2,-0.2 -1,-0.2 0.908 105.8 53.0 -64.8 -41.0 -6.2 51.7 102.7 157 159 A A H X S+ 0 0 58 -4,-1.9 4,-0.8 2,-0.2 -1,-0.2 0.926 114.4 42.2 -57.6 -47.2 -7.6 54.7 100.9 158 160 A F H >< S+ 0 0 25 -4,-1.9 3,-0.9 1,-0.2 -2,-0.2 0.946 116.5 49.3 -62.0 -49.9 -4.3 55.3 99.2 159 161 A M H 3< S+ 0 0 0 -4,-3.1 7,-0.7 1,-0.2 8,-0.2 0.855 111.7 48.6 -55.0 -40.9 -3.9 51.6 98.6 160 162 A S H 3X S+ 0 0 40 -4,-3.0 4,-0.9 -5,-0.2 -1,-0.2 0.579 89.6 104.5 -84.6 -10.3 -7.3 51.4 97.1 161 163 A S H 4 S- 0 0 137 1,-0.2 3,-1.3 2,-0.2 -1,-0.2 0.959 137.2 -57.3 58.5 57.1 -6.4 53.9 91.0 163 165 A Q H 34 S- 0 0 182 1,-0.3 -1,-0.2 -3,-0.2 -2,-0.2 0.811 100.7 -60.6 40.6 40.5 -8.4 50.6 90.7 164 166 A Q H >< S+ 0 0 41 -4,-0.9 3,-1.2 -3,-0.3 -1,-0.3 0.840 86.3 153.7 65.4 39.2 -6.1 49.1 93.4 165 167 A S T << + 0 0 58 -3,-1.3 -3,-0.1 -4,-0.9 -5,-0.1 0.590 66.7 63.8 -76.0 -11.8 -2.9 49.5 91.3 166 168 A A T 3 S+ 0 0 2 -7,-0.7 -1,-0.3 -5,-0.4 2,-0.2 0.512 89.8 89.7 -86.7 -5.8 -0.7 49.6 94.5 167 169 A L S < S- 0 0 10 -3,-1.2 2,-0.3 -8,-0.2 -32,-0.2 -0.607 72.2-143.5 -87.2 150.7 -1.9 46.0 95.0 168 170 A V B -m 135 0G 1 -34,-2.3 -32,-3.2 -2,-0.2 3,-0.1 -0.812 18.7-120.0-118.5 159.1 0.1 43.2 93.5 169 171 A K S S- 0 0 161 -2,-0.3 2,-0.3 -34,-0.2 -1,-0.1 0.909 86.8 -24.5 -60.3 -46.7 -0.9 39.9 92.0 170 172 A N S > S- 0 0 74 1,-0.1 4,-2.1 -35,-0.1 5,-0.1 -0.910 73.5 -82.9-157.2 179.2 1.0 37.8 94.5 171 173 A S H > S+ 0 0 31 -2,-0.3 4,-3.0 1,-0.2 5,-0.2 0.919 122.6 54.9 -60.9 -47.2 4.0 37.8 97.0 172 174 A D H > S+ 0 0 98 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.913 110.1 46.3 -52.1 -49.1 6.5 37.1 94.3 173 175 A E H > S+ 0 0 75 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.883 111.1 53.0 -62.4 -39.6 5.4 40.1 92.2 174 176 A G H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.922 108.1 50.2 -62.3 -45.9 5.4 42.2 95.3 175 177 A I H X S+ 0 0 32 -4,-3.0 4,-2.6 1,-0.2 -2,-0.2 0.969 111.9 47.3 -55.9 -53.7 9.0 41.3 96.1 176 178 A Q H X S+ 0 0 114 -4,-2.4 4,-1.8 1,-0.2 5,-0.3 0.872 111.4 52.4 -54.2 -39.6 10.1 42.1 92.5 177 179 A R H X S+ 0 0 50 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.903 108.5 49.3 -68.2 -39.0 8.2 45.3 92.7 178 180 A V H < S+ 0 0 0 -4,-2.6 5,-0.4 1,-0.2 -2,-0.2 0.937 114.3 47.0 -60.4 -44.5 10.0 46.2 96.0 179 181 A L H < S+ 0 0 75 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.774 121.8 33.2 -70.7 -28.2 13.4 45.4 94.3 180 182 A T H < S+ 0 0 117 -4,-1.8 2,-0.2 -5,-0.2 -1,-0.2 0.774 120.6 32.2-100.2 -31.8 12.8 47.3 91.0 181 183 A T S < S- 0 0 55 -4,-2.4 2,-1.6 -5,-0.3 0, 0.0 -0.629 91.4 -89.1-123.4 175.0 10.7 50.3 92.1 182 184 A D S S+ 0 0 51 -2,-0.2 -51,-1.7 -53,-0.1 2,-0.4 -0.651 79.5 130.3 -84.3 83.4 10.2 52.6 95.0 183 185 A Y E - l 0 131F 0 -2,-1.6 2,-0.4 -5,-0.4 -51,-0.2 -0.998 46.4-153.5-143.5 136.6 7.6 50.5 96.6 184 186 A A E - l 0 132F 0 -53,-2.6 -51,-1.7 -2,-0.4 2,-0.5 -0.947 15.3-147.4-111.6 136.4 6.9 49.0 100.0 185 187 A L E -Jl 111 133F 2 -74,-2.2 -74,-3.0 -2,-0.4 2,-0.7 -0.872 9.2-140.0-105.5 124.7 4.9 45.8 100.5 186 188 A L E +J 110 0F 3 -53,-3.3 -51,-0.4 -2,-0.5 2,-0.3 -0.750 44.4 161.9 -78.4 117.6 2.7 45.2 103.5 187 189 A M E -J 109 0F 11 -78,-2.2 -78,-2.4 -2,-0.7 2,-0.1 -0.964 47.2 -86.3-144.7 150.1 3.5 41.5 104.2 188 190 A E E >> -J 108 0F 24 -2,-0.3 4,-1.9 -80,-0.2 3,-1.4 -0.401 42.3-124.8 -66.4 134.7 3.1 39.0 107.0 189 191 A S H 3> S+ 0 0 3 -82,-3.3 4,-2.4 1,-0.3 5,-0.2 0.790 106.7 55.7 -56.8 -37.9 6.2 39.2 109.2 190 192 A T H 3> S+ 0 0 2 1,-0.2 4,-1.5 2,-0.2 -1,-0.3 0.818 109.3 48.7 -65.6 -29.9 7.2 35.6 109.0 191 193 A S H <> S+ 0 0 19 -3,-1.4 4,-2.7 2,-0.2 -2,-0.2 0.873 107.9 54.5 -75.0 -37.6 7.3 35.9 105.2 192 194 A I H X S+ 0 0 0 -4,-1.9 4,-2.8 2,-0.2 5,-0.2 0.927 107.2 50.9 -58.1 -44.8 9.4 39.1 105.5 193 195 A E H X S+ 0 0 68 -4,-2.4 4,-1.2 1,-0.2 -1,-0.2 0.934 111.0 49.2 -55.8 -47.3 11.9 37.1 107.7 194 196 A Y H < S+ 0 0 25 -4,-1.5 4,-0.5 1,-0.2 3,-0.3 0.939 114.7 43.9 -58.9 -47.7 12.1 34.5 105.0 195 197 A V H >X S+ 0 0 10 -4,-2.7 3,-1.3 1,-0.2 4,-1.3 0.890 109.9 53.0 -66.1 -43.0 12.6 37.0 102.2 196 198 A T H 3< S+ 0 0 33 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.718 100.7 62.3 -72.3 -19.0 15.2 39.2 103.9 197 199 A Q T 3< S+ 0 0 54 -4,-1.2 56,-0.5 -3,-0.3 -1,-0.3 0.725 116.7 32.0 -68.9 -23.3 17.3 36.1 104.7 198 200 A R T <4 S+ 0 0 89 -3,-1.3 2,-0.4 -4,-0.5 -2,-0.2 0.487 117.4 54.6-115.9 -10.8 17.6 35.7 100.9 199 201 A N >< - 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0 0 40 -3,-1.3 0, 0.0 3,-0.1 0, 0.0 -0.950 53.7-158.9-155.0 174.1 26.9 29.4 137.1 383 130 B T S S+ 0 0 113 -2,-0.3 -4,-0.1 3,-0.1 -1,-0.1 0.337 74.4 85.8-141.4 2.1 25.9 29.1 140.8 384 131 B K S S+ 0 0 179 1,-0.1 2,-0.5 -5,-0.1 53,-0.1 0.881 87.2 59.1 -73.8 -40.4 26.8 32.4 142.4 385 132 B I S S- 0 0 16 -6,-0.1 2,-0.2 53,-0.0 53,-0.2 -0.798 84.3-139.8 -89.8 126.7 23.6 34.0 141.3 386 133 B E E +y 438 0M 55 51,-2.0 53,-2.2 -2,-0.5 2,-0.3 -0.568 25.1 176.9 -79.1 150.7 20.4 32.4 142.6 387 134 B Y E +y 439 0M 2 51,-0.2 2,-0.3 -2,-0.2 53,-0.2 -0.987 10.7 131.6-153.5 151.6 17.4 32.1 140.3 388 135 B G E -y 440 0M 0 51,-1.6 53,-3.1 -2,-0.3 2,-0.3 -0.890 33.4-113.5-172.6-162.0 14.0 30.6 140.5 389 136 B A - 0 0 0 -2,-0.3 34,-1.9 51,-0.2 2,-0.2 -0.925 36.3 -78.9-151.3 168.7 10.3 31.0 140.0 390 137 B V B > -z 423 0N 35 51,-0.5 3,-0.7 -2,-0.3 6,-0.5 -0.554 61.3 -99.8 -73.3 140.7 6.9 31.2 141.6 391 138 B R T 3 S- 0 0 86 32,-2.0 -1,-0.1 -2,-0.2 3,-0.1 -0.364 87.7 -3.7 -68.6 136.8 5.5 27.7 142.6 392 139 B D T 3 S+ 0 0 79 1,-0.2 -77,-0.3 -2,-0.1 -1,-0.2 0.469 94.9 119.0 73.3 4.9 3.0 25.7 140.6 393 140 B G S <> S- 0 0 18 -3,-0.7 4,-2.1 -79,-0.1 -1,-0.2 -0.312 86.4 -89.5 -86.4-179.0 2.3 28.3 137.9 394 141 B S H > S+ 0 0 13 1,-0.2 4,-1.4 2,-0.2 5,-0.1 0.753 123.8 61.3 -64.8 -23.3 3.0 27.6 134.2 395 142 B T H > S+ 0 0 15 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.944 108.0 38.7 -72.2 -49.4 6.5 29.0 134.7 396 143 B M H > S+ 0 0 11 -6,-0.5 4,-2.6 1,-0.2 5,-0.2 0.935 114.7 56.3 -63.5 -42.7 7.7 26.4 137.2 397 144 B T H X S+ 0 0 38 -4,-2.1 4,-1.6 1,-0.2 -1,-0.2 0.825 103.6 55.8 -60.3 -30.7 5.8 23.7 135.3 398 145 B F H X S+ 0 0 5 -4,-1.4 4,-1.2 2,-0.2 -1,-0.2 0.950 110.6 41.4 -65.5 -52.2 7.7 24.6 132.2 399 146 B F H < S+ 0 0 0 -4,-1.7 3,-0.4 1,-0.2 12,-0.2 0.908 113.2 55.2 -63.4 -39.5 11.1 24.1 133.7 400 147 B K H < S+ 0 0 125 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.842 116.0 36.6 -62.7 -34.7 10.0 21.0 135.5 401 148 B K H < S+ 0 0 81 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.558 91.9 117.5 -93.6 -12.0 8.8 19.3 132.3 402 149 B S < - 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