==== 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 05-FEB-04 1S9T . 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) . 23474.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 341 67.9 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 11.6 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 . 26 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 156 31.1 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 2 0 6 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 0 205 0, 0.0 47,-0.3 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 71.9 21.3 20.3 66.3 2 4 A R - 0 0 159 1,-0.1 46,-0.2 45,-0.1 0, 0.0 -0.155 360.0 -86.7 -57.9 154.6 25.1 20.6 65.8 3 5 A S - 0 0 35 44,-0.1 46,-0.3 1,-0.1 2,-0.2 -0.308 44.6-118.6 -64.1 147.9 26.3 22.0 62.5 4 6 A L E -a 49 0A 2 44,-2.6 46,-2.4 -3,-0.1 2,-0.6 -0.594 18.7-125.9 -87.0 150.9 26.6 19.5 59.7 5 7 A I E -a 50 0A 22 -2,-0.2 77,-3.1 44,-0.2 78,-1.7 -0.883 26.2-163.9 -99.1 120.8 30.0 19.0 58.1 6 8 A V E -ab 51 83A 0 44,-3.1 46,-3.3 -2,-0.6 2,-0.3 -0.931 2.6-157.3-111.9 118.1 29.8 19.5 54.3 7 9 A T E +ab 52 84A 0 76,-2.6 78,-1.5 -2,-0.6 2,-0.3 -0.691 24.9 153.5 -91.2 144.8 32.6 18.3 52.1 8 10 A T E -a 53 0A 1 44,-1.7 46,-2.9 -2,-0.3 2,-0.3 -0.887 32.0-124.5-154.3-176.7 33.1 19.8 48.7 9 11 A I - 0 0 15 -2,-0.3 2,-0.4 76,-0.2 44,-0.0 -0.989 29.5-102.9-143.0 147.4 35.8 20.5 46.1 10 12 A L + 0 0 71 -2,-0.3 2,-0.2 44,-0.1 6,-0.2 -0.587 57.7 139.7 -72.4 123.4 37.1 23.6 44.3 11 13 A E B >> -E 15 0B 21 4,-2.3 4,-2.3 -2,-0.4 3,-1.7 -0.694 49.9 -94.2-168.6 106.6 35.6 23.8 40.8 12 14 A E T 34 S+ 0 0 102 1,-0.3 184,-0.1 2,-0.2 183,-0.1 -0.453 101.3 8.7 -67.9 142.7 34.4 26.9 39.0 13 15 A P T 34 S+ 0 0 3 0, 0.0 20,-2.4 0, 0.0 -1,-0.3 -0.899 128.6 54.7-100.5 23.2 31.7 28.0 38.9 14 16 A Y T <4 S+ 0 0 0 -3,-1.7 20,-1.2 1,-0.3 21,-1.0 0.929 121.5 5.3 -76.2 -47.7 30.4 25.5 41.4 15 17 A V B < S+E 11 0B 1 -4,-2.3 -4,-2.3 19,-0.2 2,-0.3 -0.987 72.7 147.7-144.0 128.4 32.7 26.1 44.3 16 18 A L E -F 31 0C 38 15,-2.3 15,-2.3 -2,-0.4 2,-0.4 -0.986 51.5 -91.5-155.4 159.7 35.5 28.7 44.7 17 19 A F E -F 30 0C 115 -2,-0.3 13,-0.3 13,-0.2 2,-0.3 -0.613 47.8-122.9 -72.5 128.3 37.2 30.8 47.3 18 20 A K - 0 0 77 11,-2.6 2,-0.3 -2,-0.4 6,-0.1 -0.573 25.2-133.0 -74.0 135.8 35.3 34.1 47.5 19 21 A K + 0 0 192 -2,-0.3 2,-0.3 2,-0.0 -1,-0.0 -0.710 38.4 147.9 -92.1 142.0 37.7 37.1 46.9 20 22 A S - 0 0 64 -2,-0.3 4,-0.1 1,-0.1 -2,-0.0 -0.975 49.9-135.9-167.5 155.9 37.7 40.1 49.1 21 23 A D S S+ 0 0 141 -2,-0.3 -1,-0.1 2,-0.1 3,-0.1 0.893 95.0 63.9 -80.7 -45.8 39.9 42.9 50.6 22 24 A K S S- 0 0 140 1,-0.1 0, 0.0 0, 0.0 0, 0.0 -0.527 105.8 -91.7 -79.1 144.0 38.3 42.5 54.1 23 25 A P - 0 0 91 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.286 40.9-144.8 -57.3 138.9 38.9 39.1 55.9 24 26 A L - 0 0 39 -4,-0.1 2,-0.3 -6,-0.1 5,-0.1 -0.806 15.3-163.1-106.1 148.5 36.1 36.6 55.2 25 27 A Y > - 0 0 178 -2,-0.3 3,-1.4 0, 0.0 4,-0.1 -0.942 42.3 -22.9-134.1 155.6 34.9 34.1 57.8 26 28 A G G > S- 0 0 39 -2,-0.3 3,-1.9 1,-0.3 4,-0.2 -0.117 124.6 -3.8 51.4-139.7 32.9 30.9 58.0 27 29 A N G > S+ 0 0 56 1,-0.3 3,-1.4 22,-0.2 -1,-0.3 0.734 124.8 71.1 -55.7 -28.2 30.6 30.1 55.2 28 30 A D G < S+ 0 0 71 -3,-1.4 -1,-0.3 1,-0.3 -2,-0.2 0.560 78.6 78.1 -69.6 -8.5 31.3 33.5 53.5 29 31 A R G < S+ 0 0 112 -3,-1.9 -11,-2.6 -4,-0.1 2,-0.3 0.672 95.9 51.1 -74.0 -17.2 34.8 32.3 52.5 30 32 A F E < +F 17 0C 11 -3,-1.4 2,-0.3 -13,-0.3 -13,-0.2 -0.835 61.5 172.2-121.0 159.9 33.3 30.3 49.7 31 33 A E E +F 16 0C 55 -15,-2.3 -15,-2.3 -2,-0.3 2,-0.2 -0.952 21.1 99.3-155.2 168.7 30.9 31.0 46.8 32 34 A G S > S- 0 0 0 -2,-0.3 4,-2.5 -17,-0.2 3,-0.3 -0.659 79.8 -60.6 133.7 170.7 29.6 29.4 43.7 33 35 A Y H > S+ 0 0 2 -20,-2.4 4,-2.3 1,-0.3 -19,-0.2 0.919 133.9 44.5 -51.7 -51.4 26.5 27.6 42.3 34 36 A C H > S+ 0 0 1 -20,-1.2 4,-2.4 1,-0.2 -1,-0.3 0.754 110.6 55.1 -67.9 -25.4 26.9 24.7 44.8 35 37 A I H > S+ 0 0 2 -21,-1.0 4,-2.2 -3,-0.3 -1,-0.2 0.873 109.4 46.9 -74.9 -37.0 27.6 27.2 47.7 36 38 A D H X S+ 0 0 16 -4,-2.5 4,-2.3 -22,-0.2 -2,-0.2 0.901 112.4 50.7 -67.5 -41.3 24.3 28.9 46.9 37 39 A L H X S+ 0 0 0 -4,-2.3 4,-2.4 -5,-0.2 -2,-0.2 0.954 109.6 50.2 -60.3 -48.7 22.6 25.5 46.7 38 40 A L H X S+ 0 0 2 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.903 109.7 51.4 -55.8 -44.3 24.1 24.6 50.1 39 41 A R H X S+ 0 0 97 -4,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.932 110.3 47.9 -60.0 -46.3 22.8 27.9 51.6 40 42 A E H X S+ 0 0 53 -4,-2.3 4,-2.2 1,-0.2 5,-0.2 0.854 110.4 52.8 -62.3 -37.2 19.2 27.3 50.3 41 43 A L H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 5,-0.2 0.911 106.8 53.1 -65.7 -41.1 19.3 23.7 51.6 42 44 A S H X>S+ 0 0 12 -4,-2.2 5,-2.1 2,-0.2 4,-0.9 0.861 114.2 39.9 -63.1 -40.3 20.3 25.0 55.1 43 45 A T H <5S+ 0 0 99 -4,-1.7 -1,-0.2 3,-0.2 -2,-0.2 0.897 117.3 48.1 -78.2 -40.5 17.4 27.5 55.4 44 46 A I H <5S+ 0 0 58 -4,-2.2 -2,-0.2 -5,-0.2 -3,-0.2 0.925 125.7 29.3 -62.8 -45.7 14.8 25.3 53.8 45 47 A L H <5S- 0 0 52 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.506 110.5-118.2 -94.6 -8.9 15.8 22.2 56.0 46 48 A G T <5 + 0 0 59 -4,-0.9 2,-0.3 -5,-0.2 -3,-0.2 0.990 61.4 125.8 72.0 66.1 17.0 24.1 59.0 47 49 A F < - 0 0 23 -5,-2.1 2,-0.2 -6,-0.0 -1,-0.2 -0.991 46.4-140.3-150.5 154.0 20.6 23.4 59.7 48 50 A T - 0 0 89 -2,-0.3 -44,-2.6 -47,-0.3 2,-0.3 -0.656 31.5-171.4-104.4 166.7 23.9 25.3 60.1 49 51 A Y E -a 4 0A 16 -46,-0.3 2,-0.4 -2,-0.2 -44,-0.2 -0.990 28.0-133.8-159.9 165.5 27.1 23.9 58.6 50 52 A E E -a 5 0A 89 -46,-2.4 -44,-3.1 -2,-0.3 2,-0.5 -0.993 25.9-138.4-123.4 129.5 30.9 24.0 58.2 51 53 A I E -a 6 0A 9 -2,-0.4 2,-0.4 -46,-0.2 -44,-0.2 -0.785 23.6-178.6 -91.6 126.3 32.4 23.7 54.7 52 54 A R E -a 7 0A 120 -46,-3.3 -44,-1.7 -2,-0.5 2,-0.4 -0.975 25.1-128.9-124.9 138.9 35.4 21.5 54.4 53 55 A L E -a 8 0A 55 -2,-0.4 -44,-0.2 -46,-0.2 -46,-0.1 -0.752 42.8 -95.1 -86.4 132.0 37.4 20.9 51.2 54 56 A V > - 0 0 9 -46,-2.9 3,-1.9 -2,-0.4 -44,-0.1 -0.264 36.3-136.3 -49.6 118.7 37.9 17.2 50.5 55 57 A E T 3 S+ 0 0 173 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.817 99.8 43.7 -48.4 -47.7 41.3 16.4 52.0 56 58 A D T 3 S- 0 0 73 2,-0.1 -1,-0.3 15,-0.1 3,-0.1 0.424 106.2-126.2 -84.0 4.2 42.8 14.3 49.3 57 59 A G < + 0 0 41 -3,-1.9 2,-0.3 1,-0.2 -2,-0.1 0.660 67.3 124.4 62.6 20.2 41.4 16.7 46.7 58 60 A K - 0 0 38 1,-0.1 14,-1.2 113,-0.0 -1,-0.2 -0.776 61.0-142.7-114.7 155.8 39.6 14.0 44.7 59 61 A Y - 0 0 18 78,-0.4 14,-1.3 79,-0.3 13,-0.7 0.951 65.2 -83.3 -76.7 -52.7 36.0 13.4 43.6 60 62 A G + 0 0 0 78,-2.5 2,-0.3 11,-0.2 11,-0.2 -0.132 52.8 162.5 143.6 119.6 36.0 9.7 44.2 61 63 A A - 0 0 2 7,-0.1 9,-1.0 -2,-0.1 2,-0.5 -0.964 39.6-106.7-147.8 159.1 36.9 6.4 42.6 62 64 A Q B -G 69 0D 102 -2,-0.3 7,-0.2 7,-0.2 2,-0.1 -0.804 37.1-119.5 -94.5 127.0 37.5 2.9 43.8 63 65 A D > - 0 0 65 5,-3.0 4,-1.1 -2,-0.5 -1,-0.0 -0.402 11.5-138.0 -66.3 136.3 41.2 1.8 43.9 64 66 A D T 4 S+ 0 0 103 2,-0.2 -1,-0.1 3,-0.1 -2,-0.0 0.967 96.8 43.2 -57.3 -57.3 42.0 -1.2 41.7 65 67 A V T 4 S+ 0 0 133 1,-0.2 -1,-0.1 2,-0.1 -3,-0.0 0.972 131.7 13.5 -52.8 -84.8 44.2 -2.9 44.3 66 68 A N T 4 S- 0 0 102 2,-0.1 -1,-0.2 1,-0.1 -2,-0.2 0.378 92.4-129.5 -79.9 2.3 42.4 -2.7 47.6 67 69 A G < + 0 0 27 -4,-1.1 2,-0.3 1,-0.2 -3,-0.1 0.763 56.6 148.7 54.8 27.4 39.1 -1.6 46.2 68 70 A Q - 0 0 95 -6,-0.1 -5,-3.0 1,-0.0 -1,-0.2 -0.716 43.4-127.0 -94.0 143.6 38.9 1.3 48.6 69 71 A W B -G 62 0D 17 -2,-0.3 2,-0.2 -7,-0.2 -7,-0.2 -0.487 25.3-172.7 -86.4 157.9 37.2 4.5 47.7 70 72 A N >> + 0 0 28 -9,-1.0 4,-1.4 -2,-0.2 3,-0.5 -0.646 42.5 39.4-132.8-169.2 38.8 8.0 47.9 71 73 A G H 3> S- 0 0 1 1,-0.2 4,-1.7 -2,-0.2 -12,-0.3 -0.146 116.6 -28.3 64.2-158.2 37.7 11.6 47.5 72 74 A M H 3> S+ 0 0 0 -14,-1.2 4,-1.7 -13,-0.7 -1,-0.2 0.820 136.3 61.4 -62.5 -33.3 34.4 12.9 48.8 73 75 A V H <> S+ 0 0 0 -14,-1.3 4,-2.2 -3,-0.5 -1,-0.2 0.926 106.6 44.8 -60.1 -45.9 32.8 9.5 48.3 74 76 A R H X S+ 0 0 70 -4,-1.4 4,-2.7 1,-0.2 -1,-0.2 0.860 108.4 56.9 -67.9 -36.7 35.2 8.0 50.9 75 77 A E H <>S+ 0 0 22 -4,-1.7 5,-3.4 1,-0.2 6,-1.0 0.855 110.8 45.2 -63.7 -31.7 34.7 11.0 53.3 76 78 A L H ><5S+ 0 0 0 -4,-1.7 3,-1.3 3,-0.2 -2,-0.2 0.905 111.0 52.5 -75.9 -42.6 30.9 10.2 53.2 77 79 A I H 3<5S+ 0 0 58 -4,-2.2 -2,-0.2 1,-0.3 -3,-0.2 0.930 113.1 44.1 -57.8 -47.7 31.5 6.4 53.6 78 80 A D T 3<5S- 0 0 63 -4,-2.7 -1,-0.3 -5,-0.1 -2,-0.2 0.380 113.8-119.1 -80.0 4.4 33.7 7.0 56.7 79 81 A H T < 5S+ 0 0 137 -3,-1.3 -3,-0.2 -5,-0.1 -2,-0.1 0.857 71.9 136.3 59.9 36.7 31.2 9.6 58.1 80 82 A K S - 0 0 25 -2,-0.7 4,-2.5 1,-0.1 5,-0.2 -0.954 47.0-118.2-134.7 155.9 26.7 7.0 39.2 92 94 A Y H > S+ 0 0 179 -2,-0.3 4,-0.7 1,-0.2 -1,-0.1 0.910 113.8 49.6 -55.8 -49.0 25.8 3.3 39.6 93 95 A V H 4 S+ 0 0 25 1,-0.2 3,-0.4 2,-0.2 4,-0.4 0.854 113.0 47.0 -62.7 -34.9 29.1 2.4 41.3 94 96 A R H >> S+ 0 0 4 1,-0.2 4,-2.4 2,-0.2 3,-2.0 0.899 103.7 61.4 -73.6 -37.5 28.9 5.3 43.7 95 97 A E H 3< S+ 0 0 93 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.679 94.4 65.8 -61.1 -17.7 25.2 4.5 44.6 96 98 A K T 3< S+ 0 0 143 -4,-0.7 -1,-0.3 -3,-0.4 -2,-0.2 0.759 116.9 23.3 -75.5 -23.3 26.5 1.1 45.8 97 99 A V T <4 S+ 0 0 41 -3,-2.0 124,-0.6 -4,-0.4 2,-0.3 0.641 129.3 22.0-116.5 -21.6 28.5 2.9 48.6 98 100 A I E < S-D 220 0A 0 -4,-2.4 2,-0.3 122,-0.2 -1,-0.2 -0.918 74.7-114.1-140.5 165.2 26.8 6.3 49.3 99 101 A D E -D 219 0A 24 120,-2.1 120,-2.5 -2,-0.3 2,-0.3 -0.762 22.5-155.2-104.0 153.4 23.3 7.8 48.7 100 102 A F E -D 218 0A 12 -2,-0.3 118,-0.2 118,-0.2 2,-0.1 -0.934 13.2-130.1-125.4 149.1 22.5 10.6 46.3 101 103 A S - 0 0 5 116,-1.9 126,-0.1 -2,-0.3 3,-0.1 -0.287 54.5 -73.5 -81.1 176.2 19.6 13.1 46.3 102 104 A K S S- 0 0 117 124,-0.2 115,-0.5 1,-0.1 -1,-0.2 -0.363 72.0 -81.8 -65.8 158.5 17.7 13.5 43.1 103 105 A P - 0 0 37 0, 0.0 113,-0.3 0, 0.0 -1,-0.1 -0.291 31.7-166.1 -66.0 148.1 19.9 15.5 40.6 104 106 A F S S+ 0 0 4 111,-2.9 2,-0.3 1,-0.3 112,-0.1 0.421 80.9 22.0-107.9 -2.9 20.0 19.3 40.8 105 107 A M E -I 215 0E 19 110,-0.9 110,-2.3 2,-0.0 2,-0.4 -0.966 69.5-143.7-161.9 141.7 21.7 19.5 37.3 106 108 A T E +I 214 0E 58 -2,-0.3 108,-0.3 108,-0.2 2,-0.3 -0.888 33.3 139.2-113.7 146.0 21.9 17.2 34.3 107 109 A L E -I 213 0E 9 106,-2.8 106,-2.8 -2,-0.4 2,-0.3 -0.877 31.0-136.8-160.5-170.7 24.9 16.8 32.0 108 110 A G - 0 0 0 -2,-0.3 82,-3.3 104,-0.2 2,-0.2 -0.983 32.3 -90.0-160.2 157.6 27.0 14.4 30.1 109 111 A I E +J 189 0F 0 -2,-0.3 101,-3.4 80,-0.2 102,-0.6 -0.501 54.6 157.2 -70.8 140.0 30.6 13.6 29.4 110 112 A S E -J 188 0F 0 78,-2.7 78,-2.0 99,-0.2 2,-0.4 -0.844 38.8 -89.2-149.0-173.6 32.0 15.4 26.3 111 113 A I E -JK 187 206F 2 95,-0.8 95,-2.7 97,-0.3 2,-0.5 -0.905 22.4-160.5-113.7 132.6 35.3 16.6 24.8 112 114 A L E +JK 186 205F 0 74,-3.1 74,-2.9 -2,-0.4 2,-0.3 -0.926 32.5 140.9-107.9 130.9 37.2 19.9 25.4 113 115 A Y E - K 0 204F 3 91,-2.2 91,-2.4 -2,-0.5 72,-0.1 -0.943 53.7 -77.8-158.2 175.0 39.7 20.8 22.7 114 116 A R E - K 0 203F 84 -2,-0.3 3,-0.4 89,-0.2 89,-0.2 -0.450 49.7-121.3 -77.3 157.3 41.1 23.7 20.7 115 117 A K S S+ 0 0 94 87,-1.5 375,-0.1 1,-0.2 -1,-0.1 -0.527 86.1 54.5 -96.4 167.5 39.0 24.9 17.7 116 118 A G S S+ 0 0 57 1,-0.3 -1,-0.2 374,-0.3 374,-0.1 0.490 83.5 115.8 90.6 3.0 40.1 25.0 14.1 117 119 A T S S- 0 0 21 -3,-0.4 -1,-0.3 2,-0.2 -4,-0.0 -0.585 75.1-120.6-103.8 166.1 41.1 21.3 14.1 118 120 A P S S+ 0 0 89 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 0.409 78.3 113.5 -83.9 2.5 39.7 18.3 12.1 119 121 A I + 0 0 15 1,-0.2 -2,-0.2 371,-0.1 88,-0.1 -0.662 30.5 156.8 -76.4 122.5 38.8 16.5 15.3 120 122 A D + 0 0 27 -2,-0.5 2,-0.3 1,-0.2 -1,-0.2 0.351 55.6 12.9-129.8 3.6 35.0 16.3 15.5 121 123 A S S > S- 0 0 32 86,-0.1 4,-1.1 1,-0.1 -1,-0.2 -0.987 79.0 -93.7-167.3 172.4 34.2 13.3 17.7 122 124 A A H > S+ 0 0 9 -2,-0.3 4,-2.6 1,-0.2 3,-0.3 0.854 122.8 58.7 -65.0 -33.3 35.5 10.8 20.2 123 125 A D H > S+ 0 0 88 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.883 100.1 55.4 -63.8 -37.3 36.0 8.5 17.3 124 126 A D H 4 S+ 0 0 47 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.815 112.1 43.5 -65.7 -29.2 38.4 11.0 15.7 125 127 A L H >< S+ 0 0 0 -4,-1.1 3,-1.3 -3,-0.3 -2,-0.2 0.898 112.1 52.6 -79.5 -43.1 40.5 11.0 18.9 126 128 A A H 3< S+ 0 0 6 -4,-2.6 -2,-0.2 1,-0.3 -3,-0.2 0.763 102.1 58.8 -64.4 -29.2 40.4 7.2 19.4 127 129 A K T 3< S+ 0 0 163 -4,-1.7 2,-0.3 -5,-0.2 -1,-0.3 0.207 106.6 53.8 -88.4 15.3 41.6 6.4 15.8 128 130 A Q < - 0 0 38 -3,-1.3 0, 0.0 3,-0.1 0, 0.0 -0.979 55.6-164.2-144.9 154.5 44.9 8.4 16.3 129 131 A T S S+ 0 0 94 -2,-0.3 -3,-0.1 3,-0.0 -4,-0.1 0.291 76.5 79.4-122.3 6.8 47.7 8.4 18.9 130 132 A K S S+ 0 0 171 1,-0.1 2,-0.5 -5,-0.1 53,-0.1 0.955 86.9 58.5 -77.3 -55.5 49.4 11.7 18.1 131 133 A I S S- 0 0 16 -6,-0.1 53,-0.2 53,-0.1 2,-0.2 -0.642 83.9-147.8 -76.3 122.2 46.9 13.9 20.0 132 134 A E E -l 184 0F 47 51,-1.7 53,-2.3 -2,-0.5 2,-0.3 -0.505 18.4-178.3 -88.1 162.8 46.8 12.8 23.6 133 135 A Y E +l 185 0F 2 51,-0.2 2,-0.3 -2,-0.2 53,-0.2 -0.983 9.2 147.8-156.2 157.6 43.7 13.0 25.7 134 136 A G E -l 186 0F 0 51,-1.5 53,-3.2 -2,-0.3 2,-0.3 -0.895 28.0-122.7-166.9-162.6 42.6 12.2 29.2 135 137 A A - 0 0 0 32,-0.3 34,-1.1 -2,-0.3 2,-0.3 -0.875 46.2 -68.3-150.6 176.9 40.5 13.1 32.2 136 138 A V B > -m 169 0G 9 51,-0.4 3,-0.8 -2,-0.3 6,-0.5 -0.585 60.4-110.7 -74.3 137.8 40.8 14.1 35.9 137 139 A E T 3 S+ 0 0 24 32,-3.2 -78,-0.4 -2,-0.3 -77,-0.2 -0.307 95.6 16.2 -66.0 154.7 42.1 11.1 37.9 138 140 A D T 3 S+ 0 0 25 1,-0.2 -78,-2.5 -80,-0.1 -79,-0.3 0.803 101.0 119.8 51.7 40.4 39.7 9.4 40.3 139 141 A G S <> S- 0 0 2 -3,-0.8 4,-2.2 -80,-0.2 -1,-0.2 -0.730 78.7 -99.6-125.6 176.0 36.6 11.0 38.8 140 142 A A H > S+ 0 0 11 -2,-0.2 4,-2.1 2,-0.2 5,-0.1 0.835 118.9 53.6 -64.8 -35.2 33.3 9.8 37.2 141 143 A T H > S+ 0 0 7 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.955 109.9 46.0 -66.5 -48.9 34.6 10.5 33.7 142 144 A M H > S+ 0 0 8 -6,-0.5 4,-2.8 1,-0.2 -2,-0.2 0.938 114.1 49.7 -57.5 -46.7 37.7 8.4 34.1 143 145 A T H X S+ 0 0 21 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.851 105.1 58.4 -61.7 -35.9 35.6 5.6 35.7 144 146 A F H X S+ 0 0 49 -4,-2.1 4,-1.0 2,-0.2 -1,-0.2 0.946 112.6 39.2 -58.5 -49.1 33.1 5.8 32.8 145 147 A F H < S+ 0 0 1 -4,-2.0 3,-0.5 1,-0.2 12,-0.2 0.910 111.6 57.1 -68.4 -41.7 35.9 5.0 30.3 146 148 A K H < S+ 0 0 72 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.835 117.8 34.1 -58.7 -33.6 37.6 2.5 32.6 147 149 A K H < S+ 0 0 127 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.503 90.4 120.5-101.3 -5.6 34.3 0.5 32.7 148 150 A S < - 0 0 16 -4,-1.0 9,-0.1 -3,-0.5 -3,-0.0 -0.311 40.8-170.4 -64.8 143.5 33.0 1.1 29.2 149 151 A K + 0 0 202 5,-0.0 2,-0.5 4,-0.0 -1,-0.1 0.270 53.0 115.0-111.6 2.7 32.4 -1.8 26.9 150 152 A I S > S- 0 0 90 1,-0.1 4,-3.5 -5,-0.1 5,-0.3 -0.662 72.7-126.9 -79.8 125.4 31.9 0.4 23.9 151 153 A S H > S+ 0 0 94 -2,-0.5 4,-2.1 1,-0.2 5,-0.3 0.839 105.1 43.5 -34.1 -64.7 34.6 -0.2 21.3 152 154 A T H > S+ 0 0 14 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.927 119.4 42.4 -53.7 -51.1 35.7 3.5 20.9 153 155 A Y H > S+ 0 0 38 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.880 109.8 57.7 -67.1 -37.8 35.6 4.2 24.6 154 156 A D H X S+ 0 0 88 -4,-3.5 4,-1.6 1,-0.2 -1,-0.2 0.896 110.9 42.6 -60.7 -40.3 37.3 0.9 25.6 155 157 A K H X S+ 0 0 109 -4,-2.1 4,-2.2 -5,-0.3 -1,-0.2 0.802 109.4 57.9 -77.1 -28.3 40.3 1.7 23.4 156 158 A M H X S+ 0 0 0 -4,-1.7 4,-2.7 -5,-0.3 -2,-0.2 0.885 108.3 47.5 -67.0 -35.0 40.4 5.3 24.6 157 159 A W H X S+ 0 0 29 -4,-2.1 4,-3.5 -12,-0.2 5,-0.3 0.889 106.9 55.4 -71.2 -38.7 40.7 3.9 28.1 158 160 A A H X S+ 0 0 55 -4,-1.6 4,-2.0 2,-0.2 -2,-0.2 0.936 111.5 46.8 -56.9 -43.5 43.5 1.6 27.0 159 161 A F H X S+ 0 0 17 -4,-2.2 4,-0.7 2,-0.2 -2,-0.2 0.972 115.7 42.6 -61.2 -57.6 45.2 4.7 25.7 160 162 A M H >< S+ 0 0 0 -4,-2.7 3,-1.5 1,-0.2 7,-0.3 0.932 113.6 52.0 -56.4 -50.1 44.7 6.7 28.9 161 163 A S H >< S+ 0 0 51 -4,-3.5 3,-1.3 1,-0.3 -1,-0.2 0.885 106.7 53.3 -55.5 -42.0 45.5 3.9 31.2 162 164 A S H 3< S+ 0 0 92 -4,-2.0 -1,-0.3 -5,-0.3 -2,-0.2 0.610 121.0 32.7 -71.6 -10.5 48.8 3.2 29.3 163 165 A R T XX S+ 0 0 82 -3,-1.5 4,-2.7 -4,-0.7 3,-0.9 -0.053 79.3 141.6-132.9 28.3 49.8 6.9 29.8 164 166 A R H <> + 0 0 72 -3,-1.3 4,-2.4 1,-0.3 -2,-0.1 0.828 69.4 48.8 -38.8 -56.6 48.1 7.5 33.1 165 167 A Q H 34 S+ 0 0 170 1,-0.2 -1,-0.3 -4,-0.2 -2,-0.1 0.850 118.9 40.4 -59.6 -35.4 50.8 9.7 34.7 166 168 A S H <4 S+ 0 0 74 -3,-0.9 -2,-0.2 -6,-0.1 -1,-0.2 0.836 127.0 27.0 -84.1 -36.2 50.9 11.9 31.6 167 169 A V H < S+ 0 0 0 -4,-2.7 2,-0.8 -7,-0.3 -32,-0.3 0.622 101.3 77.2-107.3 -14.0 47.3 12.2 30.6 168 170 A L S < S- 0 0 8 -4,-2.4 -32,-0.2 -5,-0.4 -1,-0.1 -0.869 72.7-158.5 -98.8 107.1 45.2 11.8 33.8 169 171 A V B -m 136 0G 3 -34,-1.1 -32,-3.2 -2,-0.8 3,-0.1 -0.289 24.5-122.0 -83.7 165.8 45.5 15.1 35.6 170 172 A K S S+ 0 0 133 -34,-0.2 2,-0.3 1,-0.1 -1,-0.1 0.678 93.1 14.3 -81.6 -16.9 45.0 16.0 39.3 171 173 A S S > S- 0 0 51 1,-0.1 4,-1.6 -36,-0.1 3,-0.3 -0.984 74.1-115.6-152.5 156.5 42.3 18.6 38.6 172 174 A N H > S+ 0 0 11 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.843 116.4 58.6 -63.6 -32.2 40.0 19.6 35.8 173 175 A E H > S+ 0 0 82 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.872 103.2 53.0 -64.1 -35.2 41.7 23.0 35.7 174 176 A E H > S+ 0 0 91 -3,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.903 108.9 49.3 -65.5 -41.5 45.0 21.2 35.0 175 177 A G H X S+ 0 0 0 -4,-1.6 4,-1.4 2,-0.2 -2,-0.2 0.896 109.9 50.5 -64.6 -40.6 43.4 19.4 32.1 176 178 A I H X S+ 0 0 8 -4,-2.3 4,-1.2 2,-0.2 -2,-0.2 0.903 110.6 49.2 -64.0 -42.9 42.0 22.6 30.6 177 179 A Q H X S+ 0 0 96 -4,-2.2 4,-0.7 1,-0.2 3,-0.4 0.890 107.3 55.6 -63.2 -39.0 45.4 24.3 30.9 178 180 A R H >X S+ 0 0 52 -4,-2.0 4,-1.0 1,-0.2 3,-0.5 0.836 104.0 54.9 -62.1 -33.1 46.9 21.2 29.2 179 181 A V H 3< S+ 0 0 0 -4,-1.4 5,-0.3 1,-0.2 -1,-0.2 0.812 109.7 47.2 -69.7 -30.5 44.5 21.7 26.3 180 182 A L H 3< S+ 0 0 63 -4,-1.2 -1,-0.2 -3,-0.4 -2,-0.2 0.515 119.1 38.0 -88.9 -6.7 45.7 25.3 25.9 181 183 A T H << S+ 0 0 107 -4,-0.7 2,-0.3 -3,-0.5 -2,-0.2 0.386 119.7 20.8-125.3 0.3 49.4 24.4 26.0 182 184 A S S < S- 0 0 42 -4,-1.0 2,-2.7 2,-0.2 -1,-0.2 -0.988 92.4 -79.1-161.7 165.2 49.7 21.2 24.1 183 185 A D S S+ 0 0 52 -2,-0.3 -51,-1.7 -3,-0.1 2,-0.4 -0.457 81.5 136.0 -70.8 79.0 48.1 18.9 21.5 184 186 A Y E - l 0 132F 0 -2,-2.7 2,-0.4 -5,-0.3 -51,-0.2 -0.994 43.9-157.6-136.1 136.0 45.7 17.6 24.2 185 187 A A E - l 0 133F 0 -53,-2.3 -51,-1.5 -2,-0.4 2,-0.5 -0.923 17.8-146.8-110.8 136.8 42.0 16.9 24.3 186 188 A F E -Jl 112 134F 0 -74,-2.9 -74,-3.1 -2,-0.4 2,-0.7 -0.916 3.7-148.0-115.2 126.9 40.2 16.8 27.6 187 189 A L E +J 111 0F 1 -53,-3.2 -51,-0.4 -2,-0.5 2,-0.3 -0.792 43.2 132.9 -90.1 115.4 37.3 14.5 28.6 188 190 A M E -J 110 0F 3 -78,-2.0 -78,-2.7 -2,-0.7 2,-0.2 -0.937 56.7 -62.1-153.9 175.0 35.1 16.3 31.1 189 191 A E E >> -J 109 0F 18 -2,-0.3 4,-2.1 -80,-0.2 3,-0.7 -0.431 37.8-129.8 -75.1 137.2 31.4 17.1 31.9 190 192 A S H 3> S+ 0 0 15 -82,-3.3 4,-2.5 1,-0.2 5,-0.2 0.771 103.5 59.4 -52.3 -38.8 29.4 19.3 29.5 191 193 A T H 3> S+ 0 0 6 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.922 112.6 40.4 -59.2 -43.1 28.1 21.7 32.1 192 194 A T H <> S+ 0 0 4 -3,-0.7 4,-2.7 2,-0.2 -2,-0.2 0.846 110.8 57.0 -73.3 -37.3 31.7 22.7 33.0 193 195 A I H X S+ 0 0 0 -4,-2.1 4,-2.9 1,-0.2 5,-0.3 0.923 104.3 54.6 -59.9 -42.2 32.8 22.7 29.3 194 196 A E H X S+ 0 0 78 -4,-2.5 4,-1.5 1,-0.2 -1,-0.2 0.900 110.0 46.3 -55.6 -45.9 30.0 25.2 28.7 195 197 A F H X S+ 0 0 19 -4,-1.3 4,-0.8 2,-0.2 -2,-0.2 0.932 114.3 47.6 -63.1 -48.1 31.4 27.5 31.4 196 198 A V H >X S+ 0 0 17 -4,-2.7 3,-0.8 1,-0.2 4,-0.7 0.918 113.1 45.6 -61.3 -48.7 35.0 27.1 30.1 197 199 A T H 3< S+ 0 0 38 -4,-2.9 3,-0.3 1,-0.2 -1,-0.2 0.794 105.0 62.9 -68.0 -28.0 34.3 27.7 26.4 198 200 A Q H 3< S+ 0 0 125 -4,-1.5 -1,-0.2 -5,-0.3 -2,-0.2 0.768 114.7 33.8 -66.8 -24.0 32.1 30.7 27.3 199 201 A R H << S+ 0 0 115 -3,-0.8 2,-0.4 -4,-0.8 -1,-0.2 0.429 117.2 54.1-112.4 -0.9 35.3 32.3 28.8 200 202 A N >< - 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0 0 25 -2,-0.7 4,-2.4 1,-0.1 5,-0.1 -0.910 46.0-118.8-130.0 159.7 19.8 7.1 12.8 344 94 B Y H > S+ 0 0 173 -2,-0.3 4,-0.7 1,-0.2 -1,-0.1 0.919 113.6 49.1 -60.7 -47.5 20.7 3.4 12.4 345 95 B V H 4 S+ 0 0 32 1,-0.2 3,-0.5 2,-0.2 4,-0.3 0.863 113.3 47.0 -63.8 -35.0 17.4 2.4 10.8 346 96 B R H >> S+ 0 0 4 1,-0.2 4,-2.2 2,-0.2 3,-2.2 0.897 102.7 62.7 -73.6 -37.2 17.6 5.3 8.3 347 97 B E H 3< S+ 0 0 82 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.674 94.1 66.0 -60.4 -16.6 21.2 4.5 7.5 348 98 B K T 3< S+ 0 0 100 -4,-0.7 -1,-0.3 -3,-0.5 -2,-0.2 0.701 116.1 23.5 -77.2 -21.1 19.9 1.2 6.1 349 99 B V T <4 S+ 0 0 40 -3,-2.2 124,-0.6 -4,-0.3 2,-0.3 0.613 128.8 22.8-119.4 -20.6 18.0 2.9 3.3 350 100 B I E < S-Q 472 0H 0 -4,-2.2 2,-0.3 122,-0.2 -1,-0.3 -0.928 75.2-113.4-141.6 164.0 19.7 6.3 2.7 351 101 B D E -Q 471 0H 26 120,-2.2 120,-2.1 -2,-0.3 2,-0.3 -0.728 23.0-154.2-101.5 153.2 23.1 7.8 3.3 352 102 B F E -Q 470 0H 12 -2,-0.3 118,-0.2 118,-0.2 2,-0.1 -0.940 12.0-131.8-125.0 148.3 24.0 10.6 5.7 353 103 B S - 0 0 5 116,-1.9 3,-0.1 -2,-0.3 126,-0.1 -0.264 53.9 -72.5 -80.9 178.4 26.9 13.1 5.6 354 104 B K S S- 0 0 118 124,-0.2 115,-0.5 1,-0.1 -1,-0.2 -0.349 71.6 -80.3 -67.3 160.8 28.8 13.5 8.9 355 105 B P - 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X 0 456M 1 91,-2.3 91,-2.3 -2,-0.5 72,-0.1 -0.928 53.3 -79.1-153.9 174.6 6.9 20.9 29.3 366 116 B R E - X 0 455M 74 -2,-0.3 3,-0.4 89,-0.2 89,-0.2 -0.451 49.4-122.1 -76.3 155.7 5.5 23.8 31.3 367 117 B K S S+ 0 0 87 87,-1.6 -129,-0.1 1,-0.2 -1,-0.1 -0.517 85.8 54.6 -95.4 167.6 7.6 24.9 34.2 368 118 B G S S+ 0 0 56 -130,-0.4 -1,-0.2 1,-0.3 -130,-0.1 0.457 83.6 115.8 91.4 0.9 6.5 25.1 37.9 369 119 B T S S- 0 0 19 -3,-0.4 -1,-0.3 2,-0.2 -4,-0.0 -0.574 75.0-121.9-101.8 165.2 5.5 21.4 37.9 370 120 B P S S+ 0 0 91 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 0.435 78.0 113.6 -83.7 -0.3 6.9 18.5 39.9 371 121 B I + 0 0 9 1,-0.2 -2,-0.2 -133,-0.0 88,-0.1 -0.635 31.2 157.4 -73.6 120.8 7.6 16.6 36.6 372 122 B D + 0 0 25 -2,-0.5 2,-0.3 1,-0.2 -1,-0.2 0.338 55.0 11.6-129.2 5.3 11.4 16.4 36.5 373 123 B S S > S- 0 0 32 86,-0.1 4,-1.1 1,-0.1 -1,-0.2 -0.988 79.2 -92.5-169.3 172.2 12.2 13.4 34.3 374 124 B A H > S+ 0 0 9 -2,-0.3 4,-2.9 1,-0.2 3,-0.5 0.885 123.4 58.0 -62.4 -38.0 11.0 10.9 31.8 375 125 B D H > S+ 0 0 89 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.909 100.7 55.0 -58.9 -42.7 10.4 8.6 34.7 376 126 B D H 4 S+ 0 0 34 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.804 112.6 43.5 -61.3 -30.3 8.1 11.1 36.4 377 127 B L H >< S+ 0 0 0 -4,-1.1 3,-1.3 -3,-0.5 -2,-0.2 0.894 113.7 50.3 -79.4 -44.0 6.0 11.1 33.1 378 128 B A H 3< S+ 0 0 6 -4,-2.9 -2,-0.2 1,-0.2 -3,-0.2 0.785 102.0 60.9 -65.6 -30.3 6.0 7.4 32.7 379 129 B K T 3< S+ 0 0 142 -4,-2.3 2,-0.3 -5,-0.2 -1,-0.2 0.434 108.0 49.5 -79.1 0.4 4.9 6.6 36.3 380 130 B Q < - 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